From 86c91966254384d8fb7dbf1a841acecc4a1b15bb Mon Sep 17 00:00:00 2001 From: gggguido Date: Thu, 2 Oct 2025 15:58:21 +0200 Subject: [PATCH] modified_files --- src/colbuilder/core/geometry/crosslink.py | 17 + src/colbuilder/core/topology/amber.py | 6 +- src/colbuilder/data/sequence/crosslinks.csv | 2803 ++++++++++++++++- .../data/sequence/modeller/top_heav_mod.lib | 79 +- .../data/topology/amber99/aminoacids.rtp | 331 +- .../amber99sb-star-ildnp.ff/aminoacids.hdb | 56 + .../amber99sb-star-ildnp.ff/aminoacids.rtp | 360 +++ .../amber99sb-star-ildnp.ff/ffbonded.itp | 99 + .../amber99sb-star-ildnp.ff/residuetypes.dat | 6 + .../amber99sb-star-ildnp.ff/specbond.dat | 5 +- 10 files changed, 3676 insertions(+), 86 deletions(-) diff --git a/src/colbuilder/core/geometry/crosslink.py b/src/colbuilder/core/geometry/crosslink.py index 48cec5f..e0935da 100644 --- a/src/colbuilder/core/geometry/crosslink.py +++ b/src/colbuilder/core/geometry/crosslink.py @@ -137,4 +137,21 @@ def read_crosslink(pdb_file: Union[str, Path]) -> List[Crosslink]: ) ) + elif (line[17:20] in ("LZD") and line[13:15] == "CE") or ( + line[17:20] in ("LZS") and line[13:15] == "NZ1" + ): + crosslinks.append( + Crosslink( + resid=line[22:26].strip(), + resname=line[17:20], + chain=line[21], + position=[ + float(line[29:38]), + float(line[38:46]), + float(line[46:56]), + ], + type="D", + ) + ) + return crosslinks diff --git a/src/colbuilder/core/topology/amber.py b/src/colbuilder/core/topology/amber.py index edb14e1..8ad7118 100644 --- a/src/colbuilder/core/topology/amber.py +++ b/src/colbuilder/core/topology/amber.py @@ -276,6 +276,10 @@ def _is_crosslink_atom( return True elif resname in ("AGS", "APD") and atom_name == "NZ": return True + elif resname in ("LZD") and atom_name == "CE": + return True + elif resname in ("LZS") and atom_name == "NZ1": + return True return False @@ -1059,4 +1063,4 @@ async def build_amber99(system: System, config: ColbuilderConfig, file_manager: original_error=e, error_code="TOP_ERR_001", context={"force_field": ff} - ) \ No newline at end of file + ) diff --git a/src/colbuilder/data/sequence/crosslinks.csv b/src/colbuilder/data/sequence/crosslinks.csv index 20dc30a..98849f2 100644 --- a/src/colbuilder/data/sequence/crosslinks.csv +++ b/src/colbuilder/data/sequence/crosslinks.csv @@ -55,6 +55,146 @@ ailuropoda_melanoleuca,LYS,N,9.C - 947.A,deHLNL,LX5,NZ,9.C,LX4,CE,947.A,NONE,NON ailuropoda_melanoleuca,LYS,N,9.C - 947.B,deHLNL,LX5,NZ,9.C,LX4,CE,947.B,NONE,NONE,NONE,NONE ailuropoda_melanoleuca,LYS,N,947.A - 6.B,deHLNL,LX5,NZ,6.B,LX4,CE,947.A,NONE,NONE,NONE,NONE ailuropoda_melanoleuca,LYS,N,6.B - 947.B,deHLNL,LX5,NZ,6.B,LX4,CE,947.B,NONE,NONE,NONE,NONE +ailuropoda_melanoleuca,LYS,N,104.A - 1047.A,MOLD,LZS,NZ1,104.A,LZD,CE,1047.A,NONE,NONE,NONE,NONE +ailuropoda_melanoleuca,LYS,N,104.C - 1047.A,MOLD,LZS,NZ1,104.C,LZD,CE,1047.A,NONE,NONE,NONE,NONE +ailuropoda_melanoleuca,LYS,N,104.C - 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893.B,Pentosidine,APD,NZ,660.B,LPS,CE,893.B,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,720.A - 942.B,Pentosidine,APD,NZ,720.A,LPS,CE,942.B,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,749.B - 983.B,Pentosidine,APD,NZ,749.B,LPS,CE,983.B,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,756.C - 983.B,Pentosidine,APD,NZ,756.C,LPS,CE,983.B,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,756.C - 990.A,Pentosidine,APD,NZ,756.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,801.B - 1046.A,Pentosidine,APD,NZ,801.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,808.A - 1046.A,Pentosidine,APD,NZ,808.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,931.C - 700.A,Pentosidine,APD,NZ,931.C,LPS,CE,700.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,931.C - 700.C,Pentosidine,APD,NZ,931.C,LPS,CE,700.C,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,949.A - 5.B,Pentosidine,APD,NZ,949.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,949.A - 9.C,Pentosidine,APD,NZ,949.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,979.A - 745.A,Pentosidine,APD,NZ,979.A,LPS,CE,745.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,979.C - 745.A,Pentosidine,APD,NZ,979.C,LPS,CE,745.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,99.B - 1046.A,Pentosidine,APD,NZ,99.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +bos_taurus,ARG_LYS,N,99.B - 1046.C,Pentosidine,APD,NZ,99.B,LPS,CE,1046.C,NONE,NONE,NONE,NONE callithrix_jacchus,LYS,C,1047.C - 1047.A - 104.C,DPD,LX3,CG,1047.C,LX2,CB,1047.A,LXX,C13,C12,104.C callithrix_jacchus,LYS,C,1047.C - 1047.A - 98.B,DPD,LX3,CG,1047.C,LX2,CB,1047.A,LXX,C13,C12,98.B callithrix_jacchus,LYS,N,9.C - 5.B - 944.B,DPD,LX3,CG,9.C,LX2,CB,5.B,LXX,C13,C12,944.B @@ -167,6 +459,152 @@ callithrix_jacchus,LYS,N,9.C - 947.A,deHLNL,LX5,NZ,9.C,LX4,CE,947.A,NONE,NONE,NO callithrix_jacchus,LYS,N,9.C - 944.B,deHLNL,LX5,NZ,9.C,LX4,CE,944.B,NONE,NONE,NONE,NONE callithrix_jacchus,LYS,N,947.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,947.A,NONE,NONE,NONE,NONE callithrix_jacchus,LYS,N,5.B - 944.B,deHLNL,LX5,NZ,5.B,LX4,CE,944.B,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,104.A - 1047.A,MOLD,LZS,NZ1,104.A,LZD,CE,1047.A,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,104.C - 1047.A,MOLD,LZS,NZ1,104.C,LZD,CE,1047.A,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,104.C - 1047.C,MOLD,LZS,NZ1,104.C,LZD,CE,1047.C,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,5.B - 944.B,MOLD,LZS,NZ1,5.B,LZD,CE,944.B,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,5.B - 947.A,MOLD,LZS,NZ1,5.B,LZD,CE,947.A,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,581.A - 344.A,MOLD,LZS,NZ1,581.A,LZD,CE,344.A,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,598.A - 359.A,MOLD,LZS,NZ1,598.A,LZD,CE,359.A,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,598.A - 359.C,MOLD,LZS,NZ1,598.A,LZD,CE,359.C,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,659.B - 425.C,MOLD,LZS,NZ1,659.B,LZD,CE,425.C,NONE,NONE,NONE,NONE +callithrix_jacchus,LYS,N,665.A - 419.B,MOLD,LZS,NZ1,665.A,LZD,CE,419.B,NONE,NONE,NONE,NONE 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701.A,Glucosepane,AGS,NZ,932.C,LGX,CE,701.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,932.C - 701.C,Glucosepane,AGS,NZ,932.C,LGX,CE,701.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,950.A - 5.B,Glucosepane,AGS,NZ,950.A,LGX,CE,5.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,950.A - 9.C,Glucosepane,AGS,NZ,950.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,980.A - 746.A,Glucosepane,AGS,NZ,980.A,LGX,CE,746.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,980.C - 746.A,Glucosepane,AGS,NZ,980.C,LGX,CE,746.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,1007.A - 67.C,Pentosidine,APD,NZ,1007.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,1007.A - 767.B,Pentosidine,APD,NZ,1007.A,LPS,CE,767.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,1007.A - 773.A,Pentosidine,APD,NZ,1007.A,LPS,CE,773.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,1009.A - 67.C,Pentosidine,APD,NZ,1009.A,LPS,CE,67.C,NONE,NONE,NONE,NONE 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275.B,Pentosidine,APD,NZ,512.B,LPS,CE,275.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,512.B - 281.A,Pentosidine,APD,NZ,512.B,LPS,CE,281.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,512.B - 281.C,Pentosidine,APD,NZ,512.B,LPS,CE,281.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,515.A - 275.B,Pentosidine,APD,NZ,515.A,LPS,CE,275.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,515.A - 281.A,Pentosidine,APD,NZ,515.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,515.A - 281.C,Pentosidine,APD,NZ,515.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,515.C - 275.B,Pentosidine,APD,NZ,515.C,LPS,CE,275.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,515.C - 281.A,Pentosidine,APD,NZ,515.C,LPS,CE,281.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,518.A - 275.B,Pentosidine,APD,NZ,518.A,LPS,CE,275.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,518.A - 281.A,Pentosidine,APD,NZ,518.A,LPS,CE,281.A,NONE,NONE,NONE,NONE 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944.B,Pentosidine,APD,NZ,721.A,LPS,CE,944.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,751.B - 985.B,Pentosidine,APD,NZ,751.B,LPS,CE,985.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,757.C - 985.B,Pentosidine,APD,NZ,757.C,LPS,CE,985.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,757.C - 991.A,Pentosidine,APD,NZ,757.C,LPS,CE,991.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,803.B - 1047.A,Pentosidine,APD,NZ,803.B,LPS,CE,1047.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,809.A - 1047.A,Pentosidine,APD,NZ,809.A,LPS,CE,1047.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,932.C - 701.A,Pentosidine,APD,NZ,932.C,LPS,CE,701.A,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,932.C - 701.C,Pentosidine,APD,NZ,932.C,LPS,CE,701.C,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,950.A - 5.B,Pentosidine,APD,NZ,950.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +callithrix_jacchus,ARG_LYS,N,950.A - 9.C,Pentosidine,APD,NZ,950.A,LPS,CE,9.C,NONE,NONE,NONE,NONE 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985.B,Glucosepane,AGS,NZ,751.B,LGX,CE,985.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,757.C - 985.B,Glucosepane,AGS,NZ,757.C,LGX,CE,985.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,757.C - 991.A,Glucosepane,AGS,NZ,757.C,LGX,CE,991.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,803.B - 1047.A,Glucosepane,AGS,NZ,803.B,LGX,CE,1047.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,809.A - 1047.A,Glucosepane,AGS,NZ,809.A,LGX,CE,1047.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,932.C - 701.A,Glucosepane,AGS,NZ,932.C,LGX,CE,701.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,932.C - 701.C,Glucosepane,AGS,NZ,932.C,LGX,CE,701.C,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,950.A - 5.B,Glucosepane,AGS,NZ,950.A,LGX,CE,5.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,950.A - 9.C,Glucosepane,AGS,NZ,950.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,980.A - 746.A,Glucosepane,AGS,NZ,980.A,LGX,CE,746.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,980.C - 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281.B,Pentosidine,APD,NZ,524.C,LPS,CE,281.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,524.C - 287.C,Pentosidine,APD,NZ,524.C,LPS,CE,287.C,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,662.B - 433.A,Pentosidine,APD,NZ,662.B,LPS,CE,433.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,662.B - 895.B,Pentosidine,APD,NZ,662.B,LPS,CE,895.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,721.A - 944.B,Pentosidine,APD,NZ,721.A,LPS,CE,944.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,751.B - 985.B,Pentosidine,APD,NZ,751.B,LPS,CE,985.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,757.C - 985.B,Pentosidine,APD,NZ,757.C,LPS,CE,985.B,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,757.C - 991.A,Pentosidine,APD,NZ,757.C,LPS,CE,991.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,803.B - 1047.A,Pentosidine,APD,NZ,803.B,LPS,CE,1047.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,809.A - 1047.A,Pentosidine,APD,NZ,809.A,LPS,CE,1047.A,NONE,NONE,NONE,NONE +canis_lupus,ARG_LYS,N,932.C - 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424.C,Pentosidine,APD,NZ,660.B,LPS,CE,424.C,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,756.C - 986.B,Pentosidine,APD,NZ,756.C,LPS,CE,986.B,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,756.C - 990.A,Pentosidine,APD,NZ,756.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,804.B - 1045.A,Pentosidine,APD,NZ,804.B,LPS,CE,1045.A,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,808.A - 1045.A,Pentosidine,APD,NZ,808.A,LPS,CE,1045.A,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,896.B - 663.B,Pentosidine,APD,NZ,896.B,LPS,CE,663.B,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,931.C - 700.A,Pentosidine,APD,NZ,931.C,LPS,CE,700.A,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,931.C - 700.C,Pentosidine,APD,NZ,931.C,LPS,CE,700.C,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,945.B - 6.B,Pentosidine,APD,NZ,945.B,LPS,CE,6.B,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,945.B - 9.C,Pentosidine,APD,NZ,945.B,LPS,CE,9.C,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,949.A - 6.B,Pentosidine,APD,NZ,949.A,LPS,CE,6.B,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,949.A - 9.C,Pentosidine,APD,NZ,949.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,979.A - 745.A,Pentosidine,APD,NZ,979.A,LPS,CE,745.A,NONE,NONE,NONE,NONE +danio_rerio,ARG_LYS,N,979.C - 745.A,Pentosidine,APD,NZ,979.C,LPS,CE,745.A,NONE,NONE,NONE,NONE gasterosteus_aculeatus,LYS,C,1044.C - 1044.A - 103.C,DPD,LX3,CG,1044.C,LX2,CB,1044.A,LXX,C13,C12,103.C gasterosteus_aculeatus,LYS,C,1044.C - 1044.A - 98.B,DPD,LX3,CG,1044.C,LX2,CB,1044.A,LXX,C13,C12,98.B gasterosteus_aculeatus,LYS,N,6.B - 9.C - 946.A,DPD,LX3,CG,6.B,LX2,CB,9.C,LXX,C13,C12,946.A @@ -363,6 +1095,158 @@ homo_sapiens,LYS,N,9.C - 947.A,deHLNL,LX5,NZ,9.C,LX4,CE,947.A,NONE,NONE,NONE,NON homo_sapiens,LYS,N,9.C - 944.B,deHLNL,LX5,NZ,9.C,LX4,CE,944.B,NONE,NONE,NONE,NONE homo_sapiens,LYS,N,947.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,947.A,NONE,NONE,NONE,NONE homo_sapiens,LYS,N,5.B - 944.B,deHLNL,LX5,NZ,5.B,LX4,CE,944.B,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,104.A - 1047.A,MOLD,LZS,NZ1,104.A,LZD,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,104.C - 1047.A,MOLD,LZS,NZ1,104.C,LZD,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,104.C - 1047.C,MOLD,LZS,NZ1,104.C,LZD,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,5.B - 944.B,MOLD,LZS,NZ1,5.B,LZD,CE,944.B,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,5.B - 947.A,MOLD,LZS,NZ1,5.B,LZD,CE,947.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,581.A - 344.A,MOLD,LZS,NZ1,581.A,LZD,CE,344.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,581.A - 344.C,MOLD,LZS,NZ1,581.A,LZD,CE,344.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,598.A - 359.A,MOLD,LZS,NZ1,598.A,LZD,CE,359.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,598.A - 359.C,MOLD,LZS,NZ1,598.A,LZD,CE,359.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,659.B - 425.C,MOLD,LZS,NZ1,659.B,LZD,CE,425.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,665.A - 425.C,MOLD,LZS,NZ1,665.A,LZD,CE,425.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,665.B - 433.A,MOLD,LZS,NZ1,665.B,LZD,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,674.A - 431.B,MOLD,LZS,NZ1,674.A,LZD,CE,431.B,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,674.A - 433.A,MOLD,LZS,NZ1,674.A,LZD,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,674.A - 433.C,MOLD,LZS,NZ1,674.A,LZD,CE,433.C,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,895.B - 659.B,MOLD,LZS,NZ1,895.B,LZD,CE,659.B,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,9.C - 944.B,MOLD,LZS,NZ1,9.C,LZD,CE,944.B,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,9.C - 947.A,MOLD,LZS,NZ1,9.C,LZD,CE,947.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,98.B - 1047.A,MOLD,LZS,NZ1,98.B,LZD,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,LYS,N,98.B - 1047.C,MOLD,LZS,NZ1,98.B,LZD,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 67.C,Glucosepane,AGS,NZ,1007.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 767.B,Glucosepane,AGS,NZ,1007.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 773.A,Glucosepane,AGS,NZ,1007.A,LGX,CE,773.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1009.A - 67.C,Glucosepane,AGS,NZ,1009.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1009.A - 767.B,Glucosepane,AGS,NZ,1009.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,101.B - 1047.A,Glucosepane,AGS,NZ,101.B,LGX,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,101.B - 1047.C,Glucosepane,AGS,NZ,101.B,LGX,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 110.B,Glucosepane,AGS,NZ,1056.C,LGX,CE,110.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 116.A,Glucosepane,AGS,NZ,1056.C,LGX,CE,116.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 116.C,Glucosepane,AGS,NZ,1056.C,LGX,CE,116.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 823.A,Glucosepane,AGS,NZ,1056.C,LGX,CE,823.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.A - 1047.A,Glucosepane,AGS,NZ,107.A,LGX,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.A - 1047.C,Glucosepane,AGS,NZ,107.A,LGX,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.C - 1047.A,Glucosepane,AGS,NZ,107.C,LGX,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.C - 1047.C,Glucosepane,AGS,NZ,107.C,LGX,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.A - 427.B,Glucosepane,AGS,NZ,200.A,LGX,CE,427.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.A - 433.A,Glucosepane,AGS,NZ,200.A,LGX,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 427.B,Glucosepane,AGS,NZ,200.C,LGX,CE,427.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 431.B,Glucosepane,AGS,NZ,200.C,LGX,CE,431.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 433.A,Glucosepane,AGS,NZ,200.C,LGX,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 433.C,Glucosepane,AGS,NZ,200.C,LGX,CE,433.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,308.C - 542.B,Glucosepane,AGS,NZ,308.C,LGX,CE,542.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 542.B,Glucosepane,AGS,NZ,311.C,LGX,CE,542.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 548.A,Glucosepane,AGS,NZ,311.C,LGX,CE,548.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 548.C,Glucosepane,AGS,NZ,311.C,LGX,CE,548.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,344.B - 578.B,Glucosepane,AGS,NZ,344.B,LGX,CE,578.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,350.C - 578.B,Glucosepane,AGS,NZ,350.C,LGX,CE,578.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 668.B,Glucosepane,AGS,NZ,437.A,LGX,CE,668.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 674.A,Glucosepane,AGS,NZ,437.A,LGX,CE,674.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 674.C,Glucosepane,AGS,NZ,437.A,LGX,CE,674.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.A - 236.A,Glucosepane,AGS,NZ,470.A,LGX,CE,236.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.C - 236.A,Glucosepane,AGS,NZ,470.C,LGX,CE,236.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.C - 236.C,Glucosepane,AGS,NZ,470.C,LGX,CE,236.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,494.B - 269.A,Glucosepane,AGS,NZ,494.B,LGX,CE,269.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,509.B - 275.B,Glucosepane,AGS,NZ,509.B,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,509.B - 281.A,Glucosepane,AGS,NZ,509.B,LGX,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 275.B,Glucosepane,AGS,NZ,512.B,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 281.A,Glucosepane,AGS,NZ,512.B,LGX,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 281.C,Glucosepane,AGS,NZ,512.B,LGX,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 275.B,Glucosepane,AGS,NZ,515.A,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 281.A,Glucosepane,AGS,NZ,515.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 281.C,Glucosepane,AGS,NZ,515.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.C - 275.B,Glucosepane,AGS,NZ,515.C,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.C - 281.A,Glucosepane,AGS,NZ,515.C,LGX,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 275.B,Glucosepane,AGS,NZ,518.A,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 281.A,Glucosepane,AGS,NZ,518.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 281.C,Glucosepane,AGS,NZ,518.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.C - 275.B,Glucosepane,AGS,NZ,518.C,LGX,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 281.B,Glucosepane,AGS,NZ,524.A,LGX,CE,281.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 287.A,Glucosepane,AGS,NZ,524.A,LGX,CE,287.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 287.C,Glucosepane,AGS,NZ,524.A,LGX,CE,287.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.C - 281.B,Glucosepane,AGS,NZ,524.C,LGX,CE,281.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.C - 287.C,Glucosepane,AGS,NZ,524.C,LGX,CE,287.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,662.B - 433.A,Glucosepane,AGS,NZ,662.B,LGX,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,662.B - 895.B,Glucosepane,AGS,NZ,662.B,LGX,CE,895.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,751.B - 985.B,Glucosepane,AGS,NZ,751.B,LGX,CE,985.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,757.C - 985.B,Glucosepane,AGS,NZ,757.C,LGX,CE,985.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,757.C - 991.A,Glucosepane,AGS,NZ,757.C,LGX,CE,991.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,803.B - 1047.A,Glucosepane,AGS,NZ,803.B,LGX,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,809.A - 1047.A,Glucosepane,AGS,NZ,809.A,LGX,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,932.C - 701.A,Glucosepane,AGS,NZ,932.C,LGX,CE,701.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,932.C - 701.C,Glucosepane,AGS,NZ,932.C,LGX,CE,701.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,950.A - 5.B,Glucosepane,AGS,NZ,950.A,LGX,CE,5.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,950.A - 9.C,Glucosepane,AGS,NZ,950.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,980.A - 746.A,Glucosepane,AGS,NZ,980.A,LGX,CE,746.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,980.C - 746.A,Glucosepane,AGS,NZ,980.C,LGX,CE,746.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 67.C,Pentosidine,APD,NZ,1007.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 767.B,Pentosidine,APD,NZ,1007.A,LPS,CE,767.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1007.A - 773.A,Pentosidine,APD,NZ,1007.A,LPS,CE,773.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1009.A - 67.C,Pentosidine,APD,NZ,1009.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1009.A - 767.B,Pentosidine,APD,NZ,1009.A,LPS,CE,767.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,101.B - 1047.A,Pentosidine,APD,NZ,101.B,LPS,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,101.B - 1047.C,Pentosidine,APD,NZ,101.B,LPS,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 110.B,Pentosidine,APD,NZ,1056.C,LPS,CE,110.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 116.A,Pentosidine,APD,NZ,1056.C,LPS,CE,116.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 116.C,Pentosidine,APD,NZ,1056.C,LPS,CE,116.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,1056.C - 823.A,Pentosidine,APD,NZ,1056.C,LPS,CE,823.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.A - 1047.A,Pentosidine,APD,NZ,107.A,LPS,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.A - 1047.C,Pentosidine,APD,NZ,107.A,LPS,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.C - 1047.A,Pentosidine,APD,NZ,107.C,LPS,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,107.C - 1047.C,Pentosidine,APD,NZ,107.C,LPS,CE,1047.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.A - 427.B,Pentosidine,APD,NZ,200.A,LPS,CE,427.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.A - 433.A,Pentosidine,APD,NZ,200.A,LPS,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 427.B,Pentosidine,APD,NZ,200.C,LPS,CE,427.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 431.B,Pentosidine,APD,NZ,200.C,LPS,CE,431.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 433.A,Pentosidine,APD,NZ,200.C,LPS,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,200.C - 433.C,Pentosidine,APD,NZ,200.C,LPS,CE,433.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,308.C - 542.B,Pentosidine,APD,NZ,308.C,LPS,CE,542.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 542.B,Pentosidine,APD,NZ,311.C,LPS,CE,542.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 548.A,Pentosidine,APD,NZ,311.C,LPS,CE,548.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,311.C - 548.C,Pentosidine,APD,NZ,311.C,LPS,CE,548.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,344.B - 578.B,Pentosidine,APD,NZ,344.B,LPS,CE,578.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,350.C - 578.B,Pentosidine,APD,NZ,350.C,LPS,CE,578.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 668.B,Pentosidine,APD,NZ,437.A,LPS,CE,668.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 674.A,Pentosidine,APD,NZ,437.A,LPS,CE,674.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,437.A - 674.C,Pentosidine,APD,NZ,437.A,LPS,CE,674.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.A - 236.A,Pentosidine,APD,NZ,470.A,LPS,CE,236.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.C - 236.A,Pentosidine,APD,NZ,470.C,LPS,CE,236.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,470.C - 236.C,Pentosidine,APD,NZ,470.C,LPS,CE,236.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,494.B - 269.A,Pentosidine,APD,NZ,494.B,LPS,CE,269.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,509.B - 275.B,Pentosidine,APD,NZ,509.B,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,509.B - 281.A,Pentosidine,APD,NZ,509.B,LPS,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 275.B,Pentosidine,APD,NZ,512.B,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 281.A,Pentosidine,APD,NZ,512.B,LPS,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,512.B - 281.C,Pentosidine,APD,NZ,512.B,LPS,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 275.B,Pentosidine,APD,NZ,515.A,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 281.A,Pentosidine,APD,NZ,515.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.A - 281.C,Pentosidine,APD,NZ,515.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.C - 275.B,Pentosidine,APD,NZ,515.C,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,515.C - 281.A,Pentosidine,APD,NZ,515.C,LPS,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 275.B,Pentosidine,APD,NZ,518.A,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 281.A,Pentosidine,APD,NZ,518.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.A - 281.C,Pentosidine,APD,NZ,518.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,518.C - 275.B,Pentosidine,APD,NZ,518.C,LPS,CE,275.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 281.B,Pentosidine,APD,NZ,524.A,LPS,CE,281.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 287.A,Pentosidine,APD,NZ,524.A,LPS,CE,287.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.A - 287.C,Pentosidine,APD,NZ,524.A,LPS,CE,287.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.C - 281.B,Pentosidine,APD,NZ,524.C,LPS,CE,281.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,524.C - 287.C,Pentosidine,APD,NZ,524.C,LPS,CE,287.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,662.B - 433.A,Pentosidine,APD,NZ,662.B,LPS,CE,433.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,662.B - 895.B,Pentosidine,APD,NZ,662.B,LPS,CE,895.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,751.B - 985.B,Pentosidine,APD,NZ,751.B,LPS,CE,985.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,757.C - 985.B,Pentosidine,APD,NZ,757.C,LPS,CE,985.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,757.C - 991.A,Pentosidine,APD,NZ,757.C,LPS,CE,991.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,803.B - 1047.A,Pentosidine,APD,NZ,803.B,LPS,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,809.A - 1047.A,Pentosidine,APD,NZ,809.A,LPS,CE,1047.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,932.C - 701.A,Pentosidine,APD,NZ,932.C,LPS,CE,701.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,932.C - 701.C,Pentosidine,APD,NZ,932.C,LPS,CE,701.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,950.A - 5.B,Pentosidine,APD,NZ,950.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,950.A - 9.C,Pentosidine,APD,NZ,950.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,980.A - 746.A,Pentosidine,APD,NZ,980.A,LPS,CE,746.A,NONE,NONE,NONE,NONE +homo_sapiens,ARG_LYS,N,980.C - 746.A,Pentosidine,APD,NZ,980.C,LPS,CE,746.A,NONE,NONE,NONE,NONE loxodonta_africana,LYS,C,1051.C - 1051.A - 104.C,DPD,LX3,CG,1051.C,LX2,CB,1051.A,LXX,C13,C12,104.C loxodonta_africana,LYS,C,1051.C - 1051.A - 98.B,DPD,LX3,CG,1051.C,LX2,CB,1051.A,LXX,C13,C12,98.B loxodonta_africana,LYS,N,9.C - 5.B - 944.B,DPD,LX3,CG,9.C,LX2,CB,5.B,LXX,C13,C12,944.B @@ -419,6 +1303,147 @@ loxodonta_africana,LYS,N,9.C - 944.B,deHLNL,LX5,NZ,9.C,LX4,CE,944.B,NONE,NONE,NO loxodonta_africana,LYS,N,5.B - 944.B,deHLNL,LX5,NZ,5.B,LX4,CE,944.B,NONE,NONE,NONE,NONE loxodonta_africana,LYS,N,9.C - 951.A,deHLNL,LX5,NZ,9.C,LX4,CE,951.A,NONE,NONE,NONE,NONE loxodonta_africana,LYS,N,951.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,951.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,104.A - 1051.A,MOLD,LZS,NZ1,104.A,LZD,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,104.C - 1051.A,MOLD,LZS,NZ1,104.C,LZD,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,104.C - 1051.C,MOLD,LZS,NZ1,104.C,LZD,CE,1051.C,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,5.B - 944.B,MOLD,LZS,NZ1,5.B,LZD,CE,944.B,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,5.B - 951.A,MOLD,LZS,NZ1,5.B,LZD,CE,951.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,585.A - 345.A,MOLD,LZS,NZ1,585.A,LZD,CE,345.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,585.A - 345.C,MOLD,LZS,NZ1,585.A,LZD,CE,345.C,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,594.C - 360.A,MOLD,LZS,NZ1,594.C,LZD,CE,360.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,602.A - 360.A,MOLD,LZS,NZ1,602.A,LZD,CE,360.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,659.B - 429.C,MOLD,LZS,NZ1,659.B,LZD,CE,429.C,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,665.B - 437.A,MOLD,LZS,NZ1,665.B,LZD,CE,437.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,669.A - 419.B,MOLD,LZS,NZ1,669.A,LZD,CE,419.B,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,669.A - 429.C,MOLD,LZS,NZ1,669.A,LZD,CE,429.C,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,678.A - 431.B,MOLD,LZS,NZ1,678.A,LZD,CE,431.B,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,678.A - 437.A,MOLD,LZS,NZ1,678.A,LZD,CE,437.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,678.A - 437.C,MOLD,LZS,NZ1,678.A,LZD,CE,437.C,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,895.B - 659.B,MOLD,LZS,NZ1,895.B,LZD,CE,659.B,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,9.C - 944.B,MOLD,LZS,NZ1,9.C,LZD,CE,944.B,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,9.C - 951.A,MOLD,LZS,NZ1,9.C,LZD,CE,951.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,98.B - 1051.A,MOLD,LZS,NZ1,98.B,LZD,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,LYS,N,98.B - 1051.C,MOLD,LZS,NZ1,98.B,LZD,CE,1051.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,101.B - 1051.A,Glucosepane,AGS,NZ,101.B,LGX,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,101.B - 1051.C,Glucosepane,AGS,NZ,101.B,LGX,CE,1051.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,1011.A - 67.C,Glucosepane,AGS,NZ,1011.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,1011.A - 767.B,Glucosepane,AGS,NZ,1011.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,1011.A - 777.A,Glucosepane,AGS,NZ,1011.A,LGX,CE,777.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,1013.A - 67.C,Glucosepane,AGS,NZ,1013.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,1013.A - 767.B,Glucosepane,AGS,NZ,1013.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,107.A - 1051.A,Glucosepane,AGS,NZ,107.A,LGX,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,107.A - 1051.C,Glucosepane,AGS,NZ,107.A,LGX,CE,1051.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,107.C - 1051.A,Glucosepane,AGS,NZ,107.C,LGX,CE,1051.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,107.C - 1051.C,Glucosepane,AGS,NZ,107.C,LGX,CE,1051.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,201.A - 427.B,Glucosepane,AGS,NZ,201.A,LGX,CE,427.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,201.A - 437.A,Glucosepane,AGS,NZ,201.A,LGX,CE,437.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,201.C - 437.C,Glucosepane,AGS,NZ,201.C,LGX,CE,437.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,312.C - 542.B,Glucosepane,AGS,NZ,312.C,LGX,CE,542.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,312.C - 552.A,Glucosepane,AGS,NZ,312.C,LGX,CE,552.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,312.C - 552.C,Glucosepane,AGS,NZ,312.C,LGX,CE,552.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,344.B - 578.B,Glucosepane,AGS,NZ,344.B,LGX,CE,578.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,441.A - 668.B,Glucosepane,AGS,NZ,441.A,LGX,CE,668.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,441.A - 678.A,Glucosepane,AGS,NZ,441.A,LGX,CE,678.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,441.A - 678.C,Glucosepane,AGS,NZ,441.A,LGX,CE,678.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,474.A - 237.A,Glucosepane,AGS,NZ,474.A,LGX,CE,237.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,474.C - 237.A,Glucosepane,AGS,NZ,474.C,LGX,CE,237.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,474.C - 237.C,Glucosepane,AGS,NZ,474.C,LGX,CE,237.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,494.B - 270.A,Glucosepane,AGS,NZ,494.B,LGX,CE,270.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,509.B - 275.B,Glucosepane,AGS,NZ,509.B,LGX,CE,275.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,509.B - 282.A,Glucosepane,AGS,NZ,509.B,LGX,CE,282.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,512.B - 275.B,Glucosepane,AGS,NZ,512.B,LGX,CE,275.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,512.B - 282.A,Glucosepane,AGS,NZ,512.B,LGX,CE,282.A,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,512.B - 282.C,Glucosepane,AGS,NZ,512.B,LGX,CE,282.C,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,519.A - 275.B,Glucosepane,AGS,NZ,519.A,LGX,CE,275.B,NONE,NONE,NONE,NONE +loxodonta_africana,ARG_LYS,N,519.A - 282.A,Glucosepane,AGS,NZ,519.A,LGX,CE,282.A,NONE,NONE,NONE,NONE 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115.C,Pentosidine,APD,NZ,1055.C,LPS,CE,115.C,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,1055.C - 822.A,Pentosidine,APD,NZ,1055.C,LPS,CE,822.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,106.A - 1046.A,Pentosidine,APD,NZ,106.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,106.A - 1046.C,Pentosidine,APD,NZ,106.A,LPS,CE,1046.C,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,106.C - 1046.A,Pentosidine,APD,NZ,106.C,LPS,CE,1046.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,106.C - 1046.C,Pentosidine,APD,NZ,106.C,LPS,CE,1046.C,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,199.A - 427.B,Pentosidine,APD,NZ,199.A,LPS,CE,427.B,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,199.A - 432.A,Pentosidine,APD,NZ,199.A,LPS,CE,432.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,199.C - 427.B,Pentosidine,APD,NZ,199.C,LPS,CE,427.B,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,199.C - 432.A,Pentosidine,APD,NZ,199.C,LPS,CE,432.A,NONE,NONE,NONE,NONE 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+myotis_lucifugus,ARG_LYS,N,803.B - 1046.A,Pentosidine,APD,NZ,803.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,808.A - 1046.A,Pentosidine,APD,NZ,808.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,931.C - 700.A,Pentosidine,APD,NZ,931.C,LPS,CE,700.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,931.C - 700.C,Pentosidine,APD,NZ,931.C,LPS,CE,700.C,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,949.A - 5.B,Pentosidine,APD,NZ,949.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,949.A - 9.C,Pentosidine,APD,NZ,949.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,979.A - 745.A,Pentosidine,APD,NZ,979.A,LPS,CE,745.A,NONE,NONE,NONE,NONE +myotis_lucifugus,ARG_LYS,N,979.C - 745.A,Pentosidine,APD,NZ,979.C,LPS,CE,745.A,NONE,NONE,NONE,NONE oreochromis_niloticus,LYS,C,1045.C - 1045.A - 103.C,DPD,LX3,CG,1045.C,LX2,CB,1045.A,LXX,C13,C12,103.C oreochromis_niloticus,LYS,C,1045.C - 1045.A - 99.B,DPD,LX3,CG,1045.C,LX2,CB,1045.A,LXX,C13,C12,99.B oreochromis_niloticus,LYS,N,6.B - 9.C - 946.A,DPD,LX3,CG,6.B,LX2,CB,9.C,LXX,C13,C12,946.A @@ -629,6 +2112,155 @@ oreochromis_niloticus,LYS,C,1045.A - 99.B,deHLNL,LX5,NZ,1045.A,LX4,CE,99.B,NONE, oreochromis_niloticus,LYS,C,1045.C - 99.B,deHLNL,LX5,NZ,1045.C,LX4,CE,99.B,NONE,NONE,NONE,NONE oreochromis_niloticus,LYS,N,9.C - 946.A,deHLNL,LX5,NZ,9.C,LX4,CE,946.A,NONE,NONE,NONE,NONE oreochromis_niloticus,LYS,N,946.A - 6.B,deHLNL,LX5,NZ,6.B,LX4,CE,946.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,103.A - 1045.A,MOLD,LZS,NZ1,103.A,LZD,CE,1045.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,103.C - 1045.A,MOLD,LZS,NZ1,103.C,LZD,CE,1045.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,103.C - 1045.C,MOLD,LZS,NZ1,103.C,LZD,CE,1045.C,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,510.B - 276.B,MOLD,LZS,NZ1,510.B,LZD,CE,276.B,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,510.B - 280.A,MOLD,LZS,NZ1,510.B,LZD,CE,280.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,597.A - 358.A,MOLD,LZS,NZ1,597.A,LZD,CE,358.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,597.A - 358.C,MOLD,LZS,NZ1,597.A,LZD,CE,358.C,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,6.B - 942.B,MOLD,LZS,NZ1,6.B,LZD,CE,942.B,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,6.B - 946.A,MOLD,LZS,NZ1,6.B,LZD,CE,946.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,664.A - 420.B,MOLD,LZS,NZ1,664.A,LZD,CE,420.B,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,664.A - 424.C,MOLD,LZS,NZ1,664.A,LZD,CE,424.C,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,673.A - 428.B,MOLD,LZS,NZ1,673.A,LZD,CE,428.B,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,673.A - 432.A,MOLD,LZS,NZ1,673.A,LZD,CE,432.A,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,673.A - 432.C,MOLD,LZS,NZ1,673.A,LZD,CE,432.C,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,9.C - 942.B,MOLD,LZS,NZ1,9.C,LZD,CE,942.B,NONE,NONE,NONE,NONE +oreochromis_niloticus,LYS,N,9.C - 946.A,MOLD,LZS,NZ1,9.C,LZD,CE,946.A,NONE,NONE,NONE,NONE 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+oryzias_latipes,ARG_LYS,N,979.C - 745.A,Pentosidine,APD,NZ,979.C,LPS,CE,745.A,NONE,NONE,NONE,NONE otolemur_garnettii,LYS,C,1046.C - 1046.A -103.C,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,103.C otolemur_garnettii,LYS,C,1046.C - 1046.A - 98.B,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,98.B otolemur_garnettii,LYS,N,5.B - 9.C - 946.A,DPD,LX3,CG,5.B,LX2,CB,9.C,LXX,C13,C12,946.A @@ -727,6 +2508,160 @@ otolemur_garnettii,LYS,N,9.C - 946.A,deHLNL,LX5,NZ,9.C,LX4,CE,946.A,NONE,NONE,NO otolemur_garnettii,LYS,N,9.C - 944.B,deHLNL,LX5,NZ,9.C,LX4,CE,944.B,NONE,NONE,NONE,NONE otolemur_garnettii,LYS,N,946.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,946.A,NONE,NONE,NONE,NONE otolemur_garnettii,LYS,N,944.B - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,944.B,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,103.A - 1046.A,MOLD,LZS,NZ1,103.A,LZD,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,103.C - 1046.A,MOLD,LZS,NZ1,103.C,LZD,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,103.C - 1046.C,MOLD,LZS,NZ1,103.C,LZD,CE,1046.C,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,5.B - 944.B,MOLD,LZS,NZ1,5.B,LZD,CE,944.B,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,5.B - 946.A,MOLD,LZS,NZ1,5.B,LZD,CE,946.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,580.A - 343.A,MOLD,LZS,NZ1,580.A,LZD,CE,343.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,580.A - 343.C,MOLD,LZS,NZ1,580.A,LZD,CE,343.C,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,589.C - 358.A,MOLD,LZS,NZ1,589.C,LZD,CE,358.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,597.A - 358.A,MOLD,LZS,NZ1,597.A,LZD,CE,358.A,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,597.A - 358.C,MOLD,LZS,NZ1,597.A,LZD,CE,358.C,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,659.B - 424.C,MOLD,LZS,NZ1,659.B,LZD,CE,424.C,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,664.A - 419.B,MOLD,LZS,NZ1,664.A,LZD,CE,419.B,NONE,NONE,NONE,NONE +otolemur_garnettii,LYS,N,664.A - 424.C,MOLD,LZS,NZ1,664.A,LZD,CE,424.C,NONE,NONE,NONE,NONE 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1046.C,MOLD,LZS,NZ1,98.B,LZD,CE,1046.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1006.A - 66.C,Glucosepane,AGS,NZ,1006.A,LGX,CE,66.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1006.A - 767.B,Glucosepane,AGS,NZ,1006.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1006.A - 772.A,Glucosepane,AGS,NZ,1006.A,LGX,CE,772.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1008.A - 66.C,Glucosepane,AGS,NZ,1008.A,LGX,CE,66.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1008.A - 767.B,Glucosepane,AGS,NZ,1008.A,LGX,CE,767.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,101.B - 1046.A,Glucosepane,AGS,NZ,101.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,101.B - 1046.C,Glucosepane,AGS,NZ,101.B,LGX,CE,1046.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1055.C - 110.B,Glucosepane,AGS,NZ,1055.C,LGX,CE,110.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1055.C - 115.A,Glucosepane,AGS,NZ,1055.C,LGX,CE,115.A,NONE,NONE,NONE,NONE 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432.A,Glucosepane,AGS,NZ,199.C,LGX,CE,432.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.C - 432.C,Glucosepane,AGS,NZ,199.C,LGX,CE,432.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,307.C - 542.B,Glucosepane,AGS,NZ,307.C,LGX,CE,542.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,310.C - 542.B,Glucosepane,AGS,NZ,310.C,LGX,CE,542.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,310.C - 547.A,Glucosepane,AGS,NZ,310.C,LGX,CE,547.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,344.B - 578.B,Glucosepane,AGS,NZ,344.B,LGX,CE,578.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,349.C - 578.B,Glucosepane,AGS,NZ,349.C,LGX,CE,578.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,436.A - 668.B,Glucosepane,AGS,NZ,436.A,LGX,CE,668.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,436.A - 673.A,Glucosepane,AGS,NZ,436.A,LGX,CE,673.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,436.A - 673.C,Glucosepane,AGS,NZ,436.A,LGX,CE,673.C,NONE,NONE,NONE,NONE 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275.B,Glucosepane,AGS,NZ,514.A,LGX,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.A - 280.A,Glucosepane,AGS,NZ,514.A,LGX,CE,280.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.A - 280.C,Glucosepane,AGS,NZ,514.A,LGX,CE,280.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.C - 275.B,Glucosepane,AGS,NZ,514.C,LGX,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.C - 280.A,Glucosepane,AGS,NZ,514.C,LGX,CE,280.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,517.A - 275.B,Glucosepane,AGS,NZ,517.A,LGX,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,517.A - 280.A,Glucosepane,AGS,NZ,517.A,LGX,CE,280.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,517.A - 280.C,Glucosepane,AGS,NZ,517.A,LGX,CE,280.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,517.C - 275.B,Glucosepane,AGS,NZ,517.C,LGX,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,523.A - 281.B,Glucosepane,AGS,NZ,523.A,LGX,CE,281.B,NONE,NONE,NONE,NONE 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990.A,Glucosepane,AGS,NZ,756.C,LGX,CE,990.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,803.B - 1046.A,Glucosepane,AGS,NZ,803.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,808.A - 1046.A,Glucosepane,AGS,NZ,808.A,LGX,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,931.C - 700.A,Glucosepane,AGS,NZ,931.C,LGX,CE,700.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,931.C - 700.C,Glucosepane,AGS,NZ,931.C,LGX,CE,700.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,949.A - 5.B,Glucosepane,AGS,NZ,949.A,LGX,CE,5.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,949.A - 9.C,Glucosepane,AGS,NZ,949.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,979.A - 745.A,Glucosepane,AGS,NZ,979.A,LGX,CE,745.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,979.C - 745.A,Glucosepane,AGS,NZ,979.C,LGX,CE,745.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,1006.A - 66.C,Pentosidine,APD,NZ,1006.A,LPS,CE,66.C,NONE,NONE,NONE,NONE 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822.A,Pentosidine,APD,NZ,1055.C,LPS,CE,822.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,106.A - 1046.A,Pentosidine,APD,NZ,106.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,106.A - 1046.C,Pentosidine,APD,NZ,106.A,LPS,CE,1046.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,106.C - 1046.A,Pentosidine,APD,NZ,106.C,LPS,CE,1046.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,106.C - 1046.C,Pentosidine,APD,NZ,106.C,LPS,CE,1046.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.A - 427.B,Pentosidine,APD,NZ,199.A,LPS,CE,427.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.A - 432.A,Pentosidine,APD,NZ,199.A,LPS,CE,432.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.C - 427.B,Pentosidine,APD,NZ,199.C,LPS,CE,427.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.C - 432.A,Pentosidine,APD,NZ,199.C,LPS,CE,432.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,199.C - 432.C,Pentosidine,APD,NZ,199.C,LPS,CE,432.C,NONE,NONE,NONE,NONE 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235.A,Pentosidine,APD,NZ,469.C,LPS,CE,235.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,469.C - 235.C,Pentosidine,APD,NZ,469.C,LPS,CE,235.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,494.B - 268.A,Pentosidine,APD,NZ,494.B,LPS,CE,268.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,509.B - 275.B,Pentosidine,APD,NZ,509.B,LPS,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,509.B - 280.A,Pentosidine,APD,NZ,509.B,LPS,CE,280.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,512.B - 275.B,Pentosidine,APD,NZ,512.B,LPS,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,512.B - 280.A,Pentosidine,APD,NZ,512.B,LPS,CE,280.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,512.B - 280.C,Pentosidine,APD,NZ,512.B,LPS,CE,280.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.A - 275.B,Pentosidine,APD,NZ,514.A,LPS,CE,275.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,514.A - 280.A,Pentosidine,APD,NZ,514.A,LPS,CE,280.A,NONE,NONE,NONE,NONE 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286.C,Pentosidine,APD,NZ,523.A,LPS,CE,286.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,523.C - 281.B,Pentosidine,APD,NZ,523.C,LPS,CE,281.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,523.C - 286.C,Pentosidine,APD,NZ,523.C,LPS,CE,286.C,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,662.B - 432.A,Pentosidine,APD,NZ,662.B,LPS,CE,432.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,662.B - 895.B,Pentosidine,APD,NZ,662.B,LPS,CE,895.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,720.A - 944.B,Pentosidine,APD,NZ,720.A,LPS,CE,944.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,751.B - 985.B,Pentosidine,APD,NZ,751.B,LPS,CE,985.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,756.C - 985.B,Pentosidine,APD,NZ,756.C,LPS,CE,985.B,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,756.C - 990.A,Pentosidine,APD,NZ,756.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +otolemur_garnettii,ARG_LYS,N,803.B - 1046.A,Pentosidine,APD,NZ,803.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE 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359.A,MOLD,LZS,NZ1,590.C,LZD,CE,359.A,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,598.A - 359.A,MOLD,LZS,NZ1,598.A,LZD,CE,359.A,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,598.A - 359.C,MOLD,LZS,NZ1,598.A,LZD,CE,359.C,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,659.B - 425.C,MOLD,LZS,NZ1,659.B,LZD,CE,425.C,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,665.A - 419.B,MOLD,LZS,NZ1,665.A,LZD,CE,419.B,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,665.A - 425.C,MOLD,LZS,NZ1,665.A,LZD,CE,425.C,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,665.B - 433.A,MOLD,LZS,NZ1,665.B,LZD,CE,433.A,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,665.C - 425.C,MOLD,LZS,NZ1,665.C,LZD,CE,425.C,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,665.C - 433.A,MOLD,LZS,NZ1,665.C,LZD,CE,433.A,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,674.A - 431.B,MOLD,LZS,NZ1,674.A,LZD,CE,431.B,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,674.A - 433.A,MOLD,LZS,NZ1,674.A,LZD,CE,433.A,NONE,NONE,NONE,NONE +pan_troglodytes,LYS,N,674.A - 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282.A,Pentosidine,APD,NZ,510.B,LPS,CE,282.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,513.B - 276.B,Pentosidine,APD,NZ,513.B,LPS,CE,276.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,513.B - 282.A,Pentosidine,APD,NZ,513.B,LPS,CE,282.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,513.B - 282.C,Pentosidine,APD,NZ,513.B,LPS,CE,282.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.A - 276.B,Pentosidine,APD,NZ,518.A,LPS,CE,276.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.A - 282.A,Pentosidine,APD,NZ,518.A,LPS,CE,282.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.A - 282.C,Pentosidine,APD,NZ,518.A,LPS,CE,282.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.C - 276.B,Pentosidine,APD,NZ,518.C,LPS,CE,276.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.C - 282.A,Pentosidine,APD,NZ,518.C,LPS,CE,282.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,518.C - 282.C,Pentosidine,APD,NZ,518.C,LPS,CE,282.C,NONE,NONE,NONE,NONE 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345.A,Pentosidine,APD,NZ,584.A,LPS,CE,345.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,584.A - 345.C,Pentosidine,APD,NZ,584.A,LPS,CE,345.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,663.B - 434.A,Pentosidine,APD,NZ,663.B,LPS,CE,434.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,663.B - 896.B,Pentosidine,APD,NZ,663.B,LPS,CE,896.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,707.A - 940.C,Pentosidine,APD,NZ,707.A,LPS,CE,940.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,716.C - 952.A,Pentosidine,APD,NZ,716.C,LPS,CE,952.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,717.C - 952.A,Pentosidine,APD,NZ,717.C,LPS,CE,952.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,752.B - 986.B,Pentosidine,APD,NZ,752.B,LPS,CE,986.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,762.C - 986.B,Pentosidine,APD,NZ,762.C,LPS,CE,986.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,762.C - 996.A,Pentosidine,APD,NZ,762.C,LPS,CE,996.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,804.B - 1052.A,Pentosidine,APD,NZ,804.B,LPS,CE,1052.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,814.A - 1052.A,Pentosidine,APD,NZ,814.A,LPS,CE,1052.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,937.C - 704.A,Pentosidine,APD,NZ,937.C,LPS,CE,704.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,937.C - 704.C,Pentosidine,APD,NZ,937.C,LPS,CE,704.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,955.A - 6.B,Pentosidine,APD,NZ,955.A,LPS,CE,6.B,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,955.A - 9.C,Pentosidine,APD,NZ,955.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,985.A - 751.A,Pentosidine,APD,NZ,985.A,LPS,CE,751.A,NONE,NONE,NONE,NONE +pelodiscus_sinensis,ARG_LYS,N,985.C - 751.A,Pentosidine,APD,NZ,985.C,LPS,CE,751.A,NONE,NONE,NONE,NONE pongo_abelii,LYS,C,1046.C - 1046.A - 104.C,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,104.C pongo_abelii,LYS,C,1046.C - 1046.A - 97.B,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,97.B pongo_abelii,LYS,N,5.B - 9.C - 947.A,DPD,LX3,CG,5.B,LX2,CB,9.C,LXX,C13,C12,947.A @@ -895,6 +3133,155 @@ pongo_abelii,LYS,N,9.C - 947.A,deHLNL,LX5,NZ,9.C,LX4,CE,947.A,NONE,NONE,NONE,NON pongo_abelii,LYS,N,9.C - 943.B,deHLNL,LX5,NZ,9.C,LX4,CE,943.B,NONE,NONE,NONE,NONE pongo_abelii,LYS,N,947.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,947.A,NONE,NONE,NONE,NONE pongo_abelii,LYS,N,5.B - 943.B,deHLNL,LX5,NZ,5.B,LX4,CE,943.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,104.A - 1046.A,MOLD,LZS,NZ1,104.A,LZD,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,104.C - 1046.A,MOLD,LZS,NZ1,104.C,LZD,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,104.C - 1046.C,MOLD,LZS,NZ1,104.C,LZD,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,5.B - 943.B,MOLD,LZS,NZ1,5.B,LZD,CE,943.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,5.B - 947.A,MOLD,LZS,NZ1,5.B,LZD,CE,947.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,581.A - 344.A,MOLD,LZS,NZ1,581.A,LZD,CE,344.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,581.A - 344.C,MOLD,LZS,NZ1,581.A,LZD,CE,344.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,590.C - 359.A,MOLD,LZS,NZ1,590.C,LZD,CE,359.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,598.A - 359.A,MOLD,LZS,NZ1,598.A,LZD,CE,359.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,598.A - 359.C,MOLD,LZS,NZ1,598.A,LZD,CE,359.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,658.B - 425.C,MOLD,LZS,NZ1,658.B,LZD,CE,425.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,664.B - 433.A,MOLD,LZS,NZ1,664.B,LZD,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,665.A - 418.B,MOLD,LZS,NZ1,665.A,LZD,CE,418.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,665.A - 425.C,MOLD,LZS,NZ1,665.A,LZD,CE,425.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,665.C - 433.A,MOLD,LZS,NZ1,665.C,LZD,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,674.A - 430.B,MOLD,LZS,NZ1,674.A,LZD,CE,430.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,674.A - 433.A,MOLD,LZS,NZ1,674.A,LZD,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,674.A - 433.C,MOLD,LZS,NZ1,674.A,LZD,CE,433.C,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,894.B - 658.B,MOLD,LZS,NZ1,894.B,LZD,CE,658.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,9.C - 943.B,MOLD,LZS,NZ1,9.C,LZD,CE,943.B,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,9.C - 947.A,MOLD,LZS,NZ1,9.C,LZD,CE,947.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,97.B - 1046.A,MOLD,LZS,NZ1,97.B,LZD,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,LYS,N,97.B - 1046.C,MOLD,LZS,NZ1,97.B,LZD,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,100.B - 1046.A,Glucosepane,AGS,NZ,100.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,100.B - 1046.C,Glucosepane,AGS,NZ,100.B,LGX,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1000.B - 766.B,Glucosepane,AGS,NZ,1000.B,LGX,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 67.C,Glucosepane,AGS,NZ,1006.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 766.B,Glucosepane,AGS,NZ,1006.A,LGX,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 773.A,Glucosepane,AGS,NZ,1006.A,LGX,CE,773.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1008.A - 67.C,Glucosepane,AGS,NZ,1008.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1008.A - 766.B,Glucosepane,AGS,NZ,1008.A,LGX,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 109.B,Glucosepane,AGS,NZ,1055.C,LGX,CE,109.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 116.A,Glucosepane,AGS,NZ,1055.C,LGX,CE,116.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 116.C,Glucosepane,AGS,NZ,1055.C,LGX,CE,116.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 823.A,Glucosepane,AGS,NZ,1055.C,LGX,CE,823.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.A - 1046.A,Glucosepane,AGS,NZ,107.A,LGX,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.A - 1046.C,Glucosepane,AGS,NZ,107.A,LGX,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.C - 1046.A,Glucosepane,AGS,NZ,107.C,LGX,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.C - 1046.C,Glucosepane,AGS,NZ,107.C,LGX,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.A - 426.B,Glucosepane,AGS,NZ,200.A,LGX,CE,426.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.A - 433.A,Glucosepane,AGS,NZ,200.A,LGX,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 426.B,Glucosepane,AGS,NZ,200.C,LGX,CE,426.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 433.A,Glucosepane,AGS,NZ,200.C,LGX,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 433.C,Glucosepane,AGS,NZ,200.C,LGX,CE,433.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 541.B,Glucosepane,AGS,NZ,311.C,LGX,CE,541.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 548.A,Glucosepane,AGS,NZ,311.C,LGX,CE,548.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 548.C,Glucosepane,AGS,NZ,311.C,LGX,CE,548.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,343.B - 577.B,Glucosepane,AGS,NZ,343.B,LGX,CE,577.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,350.C - 577.B,Glucosepane,AGS,NZ,350.C,LGX,CE,577.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 667.B,Glucosepane,AGS,NZ,437.A,LGX,CE,667.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 674.A,Glucosepane,AGS,NZ,437.A,LGX,CE,674.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 674.C,Glucosepane,AGS,NZ,437.A,LGX,CE,674.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.A - 236.A,Glucosepane,AGS,NZ,470.A,LGX,CE,236.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.C - 236.A,Glucosepane,AGS,NZ,470.C,LGX,CE,236.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.C - 236.C,Glucosepane,AGS,NZ,470.C,LGX,CE,236.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,493.B - 269.A,Glucosepane,AGS,NZ,493.B,LGX,CE,269.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,508.B - 274.B,Glucosepane,AGS,NZ,508.B,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,508.B - 281.A,Glucosepane,AGS,NZ,508.B,LGX,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 274.B,Glucosepane,AGS,NZ,511.B,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 281.A,Glucosepane,AGS,NZ,511.B,LGX,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 281.C,Glucosepane,AGS,NZ,511.B,LGX,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 274.B,Glucosepane,AGS,NZ,515.A,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 281.A,Glucosepane,AGS,NZ,515.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 281.C,Glucosepane,AGS,NZ,515.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.C - 274.B,Glucosepane,AGS,NZ,515.C,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.C - 281.A,Glucosepane,AGS,NZ,515.C,LGX,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 274.B,Glucosepane,AGS,NZ,518.A,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 281.A,Glucosepane,AGS,NZ,518.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 281.C,Glucosepane,AGS,NZ,518.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.C - 274.B,Glucosepane,AGS,NZ,518.C,LGX,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 280.B,Glucosepane,AGS,NZ,524.A,LGX,CE,280.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 287.A,Glucosepane,AGS,NZ,524.A,LGX,CE,287.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 287.C,Glucosepane,AGS,NZ,524.A,LGX,CE,287.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.C - 280.B,Glucosepane,AGS,NZ,524.C,LGX,CE,280.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.C - 287.C,Glucosepane,AGS,NZ,524.C,LGX,CE,287.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,661.B - 433.A,Glucosepane,AGS,NZ,661.B,LGX,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,661.B - 894.B,Glucosepane,AGS,NZ,661.B,LGX,CE,894.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,750.B - 984.B,Glucosepane,AGS,NZ,750.B,LGX,CE,984.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,757.C - 984.B,Glucosepane,AGS,NZ,757.C,LGX,CE,984.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,757.C - 990.A,Glucosepane,AGS,NZ,757.C,LGX,CE,990.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,802.B - 1046.A,Glucosepane,AGS,NZ,802.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,809.A - 1046.A,Glucosepane,AGS,NZ,809.A,LGX,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,932.C - 701.A,Glucosepane,AGS,NZ,932.C,LGX,CE,701.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,932.C - 701.C,Glucosepane,AGS,NZ,932.C,LGX,CE,701.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,950.A - 5.B,Glucosepane,AGS,NZ,950.A,LGX,CE,5.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,950.A - 9.C,Glucosepane,AGS,NZ,950.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,100.B - 1046.A,Pentosidine,APD,NZ,100.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,100.B - 1046.C,Pentosidine,APD,NZ,100.B,LPS,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1000.B - 766.B,Pentosidine,APD,NZ,1000.B,LPS,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 67.C,Pentosidine,APD,NZ,1006.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 766.B,Pentosidine,APD,NZ,1006.A,LPS,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1006.A - 773.A,Pentosidine,APD,NZ,1006.A,LPS,CE,773.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1008.A - 67.C,Pentosidine,APD,NZ,1008.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1008.A - 766.B,Pentosidine,APD,NZ,1008.A,LPS,CE,766.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 109.B,Pentosidine,APD,NZ,1055.C,LPS,CE,109.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 116.A,Pentosidine,APD,NZ,1055.C,LPS,CE,116.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 116.C,Pentosidine,APD,NZ,1055.C,LPS,CE,116.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,1055.C - 823.A,Pentosidine,APD,NZ,1055.C,LPS,CE,823.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.A - 1046.A,Pentosidine,APD,NZ,107.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.A - 1046.C,Pentosidine,APD,NZ,107.A,LPS,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.C - 1046.A,Pentosidine,APD,NZ,107.C,LPS,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,107.C - 1046.C,Pentosidine,APD,NZ,107.C,LPS,CE,1046.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.A - 426.B,Pentosidine,APD,NZ,200.A,LPS,CE,426.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.A - 433.A,Pentosidine,APD,NZ,200.A,LPS,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 426.B,Pentosidine,APD,NZ,200.C,LPS,CE,426.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 433.A,Pentosidine,APD,NZ,200.C,LPS,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,200.C - 433.C,Pentosidine,APD,NZ,200.C,LPS,CE,433.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 541.B,Pentosidine,APD,NZ,311.C,LPS,CE,541.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 548.A,Pentosidine,APD,NZ,311.C,LPS,CE,548.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,311.C - 548.C,Pentosidine,APD,NZ,311.C,LPS,CE,548.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,343.B - 577.B,Pentosidine,APD,NZ,343.B,LPS,CE,577.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,350.C - 577.B,Pentosidine,APD,NZ,350.C,LPS,CE,577.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 667.B,Pentosidine,APD,NZ,437.A,LPS,CE,667.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 674.A,Pentosidine,APD,NZ,437.A,LPS,CE,674.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,437.A - 674.C,Pentosidine,APD,NZ,437.A,LPS,CE,674.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.A - 236.A,Pentosidine,APD,NZ,470.A,LPS,CE,236.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.C - 236.A,Pentosidine,APD,NZ,470.C,LPS,CE,236.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,470.C - 236.C,Pentosidine,APD,NZ,470.C,LPS,CE,236.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,493.B - 269.A,Pentosidine,APD,NZ,493.B,LPS,CE,269.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,508.B - 274.B,Pentosidine,APD,NZ,508.B,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,508.B - 281.A,Pentosidine,APD,NZ,508.B,LPS,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 274.B,Pentosidine,APD,NZ,511.B,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 281.A,Pentosidine,APD,NZ,511.B,LPS,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,511.B - 281.C,Pentosidine,APD,NZ,511.B,LPS,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 274.B,Pentosidine,APD,NZ,515.A,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 281.A,Pentosidine,APD,NZ,515.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.A - 281.C,Pentosidine,APD,NZ,515.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.C - 274.B,Pentosidine,APD,NZ,515.C,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,515.C - 281.A,Pentosidine,APD,NZ,515.C,LPS,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 274.B,Pentosidine,APD,NZ,518.A,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 281.A,Pentosidine,APD,NZ,518.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.A - 281.C,Pentosidine,APD,NZ,518.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,518.C - 274.B,Pentosidine,APD,NZ,518.C,LPS,CE,274.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 280.B,Pentosidine,APD,NZ,524.A,LPS,CE,280.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 287.A,Pentosidine,APD,NZ,524.A,LPS,CE,287.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.A - 287.C,Pentosidine,APD,NZ,524.A,LPS,CE,287.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.C - 280.B,Pentosidine,APD,NZ,524.C,LPS,CE,280.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,524.C - 287.C,Pentosidine,APD,NZ,524.C,LPS,CE,287.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,661.B - 433.A,Pentosidine,APD,NZ,661.B,LPS,CE,433.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,661.B - 894.B,Pentosidine,APD,NZ,661.B,LPS,CE,894.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,750.B - 984.B,Pentosidine,APD,NZ,750.B,LPS,CE,984.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,757.C - 984.B,Pentosidine,APD,NZ,757.C,LPS,CE,984.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,757.C - 990.A,Pentosidine,APD,NZ,757.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,802.B - 1046.A,Pentosidine,APD,NZ,802.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,809.A - 1046.A,Pentosidine,APD,NZ,809.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,932.C - 701.A,Pentosidine,APD,NZ,932.C,LPS,CE,701.A,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,932.C - 701.C,Pentosidine,APD,NZ,932.C,LPS,CE,701.C,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,950.A - 5.B,Pentosidine,APD,NZ,950.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +pongo_abelii,ARG_LYS,N,950.A - 9.C,Pentosidine,APD,NZ,950.A,LPS,CE,9.C,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,C,1046.C - 1046.A -103.C,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,103.C rattus_norvegicus,LYS,C,1046.C - 1046.A - 98.B,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,98.B rattus_norvegicus,LYS,N,5.B - 9.C - 946.A,DPD,LX3,CG,5.B,LX2,CB,9.C,LXX,C13,C12,946.A @@ -904,12 +3291,10 @@ rattus_norvegicus,LYS,C,1046.C - 1046.A - 98.B,DPL,L3X,CG,1046.C,L2X,CG,1046.A,L rattus_norvegicus,LYS,N,5.B - 9.C - 946.A,DPL,L3X,CG,5.B,L2X,CG,9.C,LYY,C13,C12,946.A rattus_norvegicus,LYS,N,9.C - 5.B - 944.B,DPL,L3X,CG,9.C,L2X,CG,5.B,LYY,C13,C12,944.B rattus_norvegicus,LYS,C,1046.C - 103.C,HLKNL,L5Y,NZ,1046.C,L4Y,CE,103.C,NONE,NONE,NONE,NONE -rattus_norvegicus,LYS,C,1040.C - 97.C,HLKNL,L5Y,NZ,1040.C,L4Y,CE,97.C,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,C,1046.C - 98.B,HLKNL,L5Y,NZ,1046.C,L4Y,CE,98.B,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,C,103.C - 1046.A,HLKNL,L5Y,NZ,1046.A,L4Y,CE,103.C,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,C,1046.A - 98.B,HLKNL,L5Y,NZ,1046.A,L4Y,CE,98.B,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,9.C - 946.A,HLKNL,L5Y,NZ,9.C,L4Y,CE,946.A,NONE,NONE,NONE,NONE -rattus_norvegicus,LYS,N,3.C - 940.A,HLKNL,L5Y,NZ,3.C,L4Y,CE,940.A,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,9.C - 944.B,HLKNL,L5Y,NZ,9.C,L4Y,CE,944.B,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,946.A - 5.B,HLKNL,L5Y,NZ,5.B,L4Y,CE,946.A,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,5.B - 944.B,HLKNL,L5Y,NZ,5.B,L4Y,CE,944.B,NONE,NONE,NONE,NONE @@ -953,9 +3338,161 @@ rattus_norvegicus,LYS,N,9.C - 946.A,deHLNL,LX5,NZ,9.C,LX4,CE,946.A,NONE,NONE,NON rattus_norvegicus,LYS,N,9.C - 944.B,deHLNL,LX5,NZ,9.C,LX4,CE,944.B,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,946.A - 5.B,deHLNL,LX5,NZ,5.B,LX4,CE,946.A,NONE,NONE,NONE,NONE rattus_norvegicus,LYS,N,5.B - 944.B,deHLNL,LX5,NZ,5.B,LX4,CE,944.B,NONE,NONE,NONE,NONE -rattus_norvegicus,ARG_LYS,C,101.B - 1046.A,Glucosepane,AGS,NZ,101.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE -rattus_norvegicus,ARG_LYS,N,353.B - 124.C,Glucosepane,AGS,NZ,353.B,LGX,CE,124.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,103.A - 1046.A,MOLD,LZS,NZ1,103.A,LZD,CE,1046.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,103.C - 1046.A,MOLD,LZS,NZ1,103.C,LZD,CE,1046.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,103.C - 1046.C,MOLD,LZS,NZ1,103.C,LZD,CE,1046.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,5.B - 944.B,MOLD,LZS,NZ1,5.B,LZD,CE,944.B,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,5.B - 946.A,MOLD,LZS,NZ1,5.B,LZD,CE,946.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,580.A - 343.A,MOLD,LZS,NZ1,580.A,LZD,CE,343.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,580.A - 343.C,MOLD,LZS,NZ1,580.A,LZD,CE,343.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,589.C - 358.A,MOLD,LZS,NZ1,589.C,LZD,CE,358.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,597.A - 358.A,MOLD,LZS,NZ1,597.A,LZD,CE,358.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,659.B - 424.C,MOLD,LZS,NZ1,659.B,LZD,CE,424.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,662.B - 432.A,MOLD,LZS,NZ1,662.B,LZD,CE,432.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,664.A - 419.B,MOLD,LZS,NZ1,664.A,LZD,CE,419.B,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,664.A - 424.C,MOLD,LZS,NZ1,664.A,LZD,CE,424.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,664.C - 424.C,MOLD,LZS,NZ1,664.C,LZD,CE,424.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,664.C - 432.A,MOLD,LZS,NZ1,664.C,LZD,CE,432.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,665.B - 432.A,MOLD,LZS,NZ1,665.B,LZD,CE,432.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,673.A - 427.B,MOLD,LZS,NZ1,673.A,LZD,CE,427.B,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,673.A - 431.B,MOLD,LZS,NZ1,673.A,LZD,CE,431.B,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,673.A - 432.A,MOLD,LZS,NZ1,673.A,LZD,CE,432.A,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,673.A - 432.C,MOLD,LZS,NZ1,673.A,LZD,CE,432.C,NONE,NONE,NONE,NONE +rattus_norvegicus,LYS,N,895.B - 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985.B,Pentosidine,APD,NZ,751.B,LPS,CE,985.B,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,756.C - 985.B,Pentosidine,APD,NZ,756.C,LPS,CE,985.B,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,756.C - 990.A,Pentosidine,APD,NZ,756.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,803.B - 1046.A,Pentosidine,APD,NZ,803.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,808.A - 1046.A,Pentosidine,APD,NZ,808.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,931.C - 700.A,Pentosidine,APD,NZ,931.C,LPS,CE,700.A,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,931.C - 700.C,Pentosidine,APD,NZ,931.C,LPS,CE,700.C,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,949.A - 5.B,Pentosidine,APD,NZ,949.A,LPS,CE,5.B,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,949.A - 9.C,Pentosidine,APD,NZ,949.A,LPS,CE,9.C,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,979.A - 745.A,Pentosidine,APD,NZ,979.A,LPS,CE,745.A,NONE,NONE,NONE,NONE +rattus_norvegicus,ARG_LYS,N,979.C - 745.A,Pentosidine,APD,NZ,979.C,LPS,CE,745.A,NONE,NONE,NONE,NONE tetraodon_nigroviridis,LYS,C,1046.C - 1046.A -104.C,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,104.C tetraodon_nigroviridis,LYS,C,1046.C - 1046.A - 99.B,DPD,LX3,CG,1046.C,LX2,CB,1046.A,LXX,C13,C12,99.B tetraodon_nigroviridis,LYS,N,6.B - 9.C - 948.A,DPD,LX3,CG,6.B,LX2,CB,9.C,LXX,C13,C12,948.A @@ -997,6 +3534,127 @@ tetraodon_nigroviridis,LYS,C,1046.C - 99.B,deHLNL,LX5,NZ,1046.C,LX4,CE,99.B,NONE tetraodon_nigroviridis,LYS,C,1046.C - 104.C,deHLNL,LX5,NZ,1046.C,LX4,CE,104.C,NONE,NONE,NONE,NONE tetraodon_nigroviridis,LYS,N,948.A - 6.B,deHLNL,LX5,NZ,6.B,LX4,CE,948.A,NONE,NONE,NONE,NONE tetraodon_nigroviridis,LYS,N,9.C - 948.A,deHLNL,LX5,NZ,9.C,LX4,CE,948.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,104.A - 1046.A,MOLD,LZS,NZ1,104.A,LZD,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,104.C - 1046.A,MOLD,LZS,NZ1,104.C,LZD,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,104.C - 1046.C,MOLD,LZS,NZ1,104.C,LZD,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,465.B - 231.B,MOLD,LZS,NZ1,465.B,LZD,CE,231.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,470.A - 236.A,MOLD,LZS,NZ1,470.A,LZD,CE,236.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,470.C - 236.A,MOLD,LZS,NZ1,470.C,LZD,CE,236.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,470.C - 236.C,MOLD,LZS,NZ1,470.C,LZD,CE,236.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,510.B - 276.B,MOLD,LZS,NZ1,510.B,LZD,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,510.B - 281.A,MOLD,LZS,NZ1,510.B,LZD,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,513.B - 276.B,MOLD,LZS,NZ1,513.B,LZD,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,513.B - 281.A,MOLD,LZS,NZ1,513.B,LZD,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,513.B - 281.C,MOLD,LZS,NZ1,513.B,LZD,CE,281.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,580.A - 344.A,MOLD,LZS,NZ1,580.A,LZD,CE,344.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,6.B - 942.B,MOLD,LZS,NZ1,6.B,LZD,CE,942.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,6.B - 948.A,MOLD,LZS,NZ1,6.B,LZD,CE,948.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,664.A - 425.C,MOLD,LZS,NZ1,664.A,LZD,CE,425.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,664.C - 425.C,MOLD,LZS,NZ1,664.C,LZD,CE,425.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,664.C - 433.A,MOLD,LZS,NZ1,664.C,LZD,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,673.A - 432.B,MOLD,LZS,NZ1,673.A,LZD,CE,432.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,673.A - 433.A,MOLD,LZS,NZ1,673.A,LZD,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,673.A - 433.C,MOLD,LZS,NZ1,673.A,LZD,CE,433.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,9.C - 942.B,MOLD,LZS,NZ1,9.C,LZD,CE,942.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,9.C - 948.A,MOLD,LZS,NZ1,9.C,LZD,CE,948.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,933.C - 700.A,MOLD,LZS,NZ1,933.C,LZD,CE,700.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,933.C - 700.C,MOLD,LZS,NZ1,933.C,LZD,CE,700.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,99.B - 1046.A,MOLD,LZS,NZ1,99.B,LZD,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,LYS,N,99.B - 1046.C,MOLD,LZS,NZ1,99.B,LZD,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 67.C,Glucosepane,AGS,NZ,1008.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 768.B,Glucosepane,AGS,NZ,1008.A,LGX,CE,768.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 772.A,Glucosepane,AGS,NZ,1008.A,LGX,CE,772.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1010.A - 67.C,Glucosepane,AGS,NZ,1010.A,LGX,CE,67.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1010.A - 768.B,Glucosepane,AGS,NZ,1010.A,LGX,CE,768.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,102.B - 1046.A,Glucosepane,AGS,NZ,102.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,102.B - 1046.C,Glucosepane,AGS,NZ,102.B,LGX,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.A - 1046.A,Glucosepane,AGS,NZ,107.A,LGX,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.A - 1046.C,Glucosepane,AGS,NZ,107.A,LGX,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.C - 1046.A,Glucosepane,AGS,NZ,107.C,LGX,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.C - 1046.C,Glucosepane,AGS,NZ,107.C,LGX,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.A - 428.B,Glucosepane,AGS,NZ,200.A,LGX,CE,428.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.A - 433.A,Glucosepane,AGS,NZ,200.A,LGX,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 428.B,Glucosepane,AGS,NZ,200.C,LGX,CE,428.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 433.A,Glucosepane,AGS,NZ,200.C,LGX,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 433.C,Glucosepane,AGS,NZ,200.C,LGX,CE,433.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 543.B,Glucosepane,AGS,NZ,311.C,LGX,CE,543.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 547.A,Glucosepane,AGS,NZ,311.C,LGX,CE,547.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 547.C,Glucosepane,AGS,NZ,311.C,LGX,CE,547.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,345.B - 579.B,Glucosepane,AGS,NZ,345.B,LGX,CE,579.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 669.B,Glucosepane,AGS,NZ,437.A,LGX,CE,669.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 673.A,Glucosepane,AGS,NZ,437.A,LGX,CE,673.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 673.C,Glucosepane,AGS,NZ,437.A,LGX,CE,673.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,495.B - 269.A,Glucosepane,AGS,NZ,495.B,LGX,CE,269.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 276.B,Glucosepane,AGS,NZ,514.A,LGX,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 281.A,Glucosepane,AGS,NZ,514.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 281.C,Glucosepane,AGS,NZ,514.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.C - 276.B,Glucosepane,AGS,NZ,514.C,LGX,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.C - 281.A,Glucosepane,AGS,NZ,514.C,LGX,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 276.B,Glucosepane,AGS,NZ,517.A,LGX,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 281.A,Glucosepane,AGS,NZ,517.A,LGX,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 281.C,Glucosepane,AGS,NZ,517.A,LGX,CE,281.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.C - 276.B,Glucosepane,AGS,NZ,517.C,LGX,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 282.B,Glucosepane,AGS,NZ,523.A,LGX,CE,282.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 287.A,Glucosepane,AGS,NZ,523.A,LGX,CE,287.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 287.C,Glucosepane,AGS,NZ,523.A,LGX,CE,287.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.C - 282.B,Glucosepane,AGS,NZ,523.C,LGX,CE,282.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.C - 287.C,Glucosepane,AGS,NZ,523.C,LGX,CE,287.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,660.B - 425.C,Glucosepane,AGS,NZ,660.B,LGX,CE,425.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,663.B - 433.A,Glucosepane,AGS,NZ,663.B,LGX,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,756.C - 986.B,Glucosepane,AGS,NZ,756.C,LGX,CE,986.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,756.C - 992.A,Glucosepane,AGS,NZ,756.C,LGX,CE,992.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,804.B - 1046.A,Glucosepane,AGS,NZ,804.B,LGX,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,808.A - 1046.A,Glucosepane,AGS,NZ,808.A,LGX,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,945.B - 6.B,Glucosepane,AGS,NZ,945.B,LGX,CE,6.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,945.B - 9.C,Glucosepane,AGS,NZ,945.B,LGX,CE,9.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,951.A - 9.C,Glucosepane,AGS,NZ,951.A,LGX,CE,9.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 67.C,Pentosidine,APD,NZ,1008.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 768.B,Pentosidine,APD,NZ,1008.A,LPS,CE,768.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1008.A - 772.A,Pentosidine,APD,NZ,1008.A,LPS,CE,772.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1010.A - 67.C,Pentosidine,APD,NZ,1010.A,LPS,CE,67.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,1010.A - 768.B,Pentosidine,APD,NZ,1010.A,LPS,CE,768.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,102.B - 1046.A,Pentosidine,APD,NZ,102.B,LPS,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,102.B - 1046.C,Pentosidine,APD,NZ,102.B,LPS,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.A - 1046.A,Pentosidine,APD,NZ,107.A,LPS,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.A - 1046.C,Pentosidine,APD,NZ,107.A,LPS,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.C - 1046.A,Pentosidine,APD,NZ,107.C,LPS,CE,1046.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,107.C - 1046.C,Pentosidine,APD,NZ,107.C,LPS,CE,1046.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.A - 428.B,Pentosidine,APD,NZ,200.A,LPS,CE,428.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.A - 433.A,Pentosidine,APD,NZ,200.A,LPS,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 428.B,Pentosidine,APD,NZ,200.C,LPS,CE,428.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 433.A,Pentosidine,APD,NZ,200.C,LPS,CE,433.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,200.C - 433.C,Pentosidine,APD,NZ,200.C,LPS,CE,433.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 543.B,Pentosidine,APD,NZ,311.C,LPS,CE,543.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 547.A,Pentosidine,APD,NZ,311.C,LPS,CE,547.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,311.C - 547.C,Pentosidine,APD,NZ,311.C,LPS,CE,547.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,345.B - 579.B,Pentosidine,APD,NZ,345.B,LPS,CE,579.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 669.B,Pentosidine,APD,NZ,437.A,LPS,CE,669.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 673.A,Pentosidine,APD,NZ,437.A,LPS,CE,673.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,437.A - 673.C,Pentosidine,APD,NZ,437.A,LPS,CE,673.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,495.B - 269.A,Pentosidine,APD,NZ,495.B,LPS,CE,269.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 276.B,Pentosidine,APD,NZ,514.A,LPS,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 281.A,Pentosidine,APD,NZ,514.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.A - 281.C,Pentosidine,APD,NZ,514.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.C - 276.B,Pentosidine,APD,NZ,514.C,LPS,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,514.C - 281.A,Pentosidine,APD,NZ,514.C,LPS,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 276.B,Pentosidine,APD,NZ,517.A,LPS,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 281.A,Pentosidine,APD,NZ,517.A,LPS,CE,281.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.A - 281.C,Pentosidine,APD,NZ,517.A,LPS,CE,281.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,517.C - 276.B,Pentosidine,APD,NZ,517.C,LPS,CE,276.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 282.B,Pentosidine,APD,NZ,523.A,LPS,CE,282.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 287.A,Pentosidine,APD,NZ,523.A,LPS,CE,287.A,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.A - 287.C,Pentosidine,APD,NZ,523.A,LPS,CE,287.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.C - 282.B,Pentosidine,APD,NZ,523.C,LPS,CE,282.B,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,523.C - 287.C,Pentosidine,APD,NZ,523.C,LPS,CE,287.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,660.B - 425.C,Pentosidine,APD,NZ,660.B,LPS,CE,425.C,NONE,NONE,NONE,NONE +tetraodon_nigroviridis,ARG_LYS,N,663.B - 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xiphophorus_maculatus,LYS,N,6.B - 9.C - 946.A,DPD,LX3,CG,6.B,LX2,CB,9.C,LXX,C13,C12,946.A @@ -1038,4 +3696,139 @@ xiphophorus_maculatus,LYS,C,103.C - 1044.C,deHLNL,LX5,NZ,1044.C,LX4,CE,103.C,NON xiphophorus_maculatus,LYS,C,1044.A - 99.B,deHLNL,LX5,NZ,1044.A,LX4,CE,99.B,NONE,NONE,NONE,NONE xiphophorus_maculatus,LYS,C,1044.C - 99.B,deHLNL,LX5,NZ,1044.C,LX4,CE,99.B,NONE,NONE,NONE,NONE xiphophorus_maculatus,LYS,N,9.C - 946.A,deHLNL,LX5,NZ,9.C,LX4,CE,946.A,NONE,NONE,NONE,NONE -xiphophorus_maculatus,LYS,N,946.A - 6.B,deHLNL,LX5,NZ,6.B,LX4,CE,946.A,NONE,NONE,NONE,NONE \ No newline at end of file +xiphophorus_maculatus,LYS,N,946.A - 6.B,deHLNL,LX5,NZ,6.B,LX4,CE,946.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,LYS,N,103.A - 1044.A,MOLD,LZS,NZ1,103.A,LZD,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,LYS,N,103.C - 1044.A,MOLD,LZS,NZ1,103.C,LZD,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,LYS,N,103.C - 1044.C,MOLD,LZS,NZ1,103.C,LZD,CE,1044.C,NONE,NONE,NONE,NONE 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115.A,Pentosidine,APD,NZ,1054.C,LPS,CE,115.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,1054.C - 822.A,Pentosidine,APD,NZ,1054.C,LPS,CE,822.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,106.A - 1044.A,Pentosidine,APD,NZ,106.A,LPS,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,106.A - 1044.C,Pentosidine,APD,NZ,106.A,LPS,CE,1044.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,106.C - 1044.A,Pentosidine,APD,NZ,106.C,LPS,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,106.C - 1044.C,Pentosidine,APD,NZ,106.C,LPS,CE,1044.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,199.A - 428.B,Pentosidine,APD,NZ,199.A,LPS,CE,428.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,199.A - 432.A,Pentosidine,APD,NZ,199.A,LPS,CE,432.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,199.C - 432.A,Pentosidine,APD,NZ,199.C,LPS,CE,432.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,199.C - 432.C,Pentosidine,APD,NZ,199.C,LPS,CE,432.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,310.C - 543.B,Pentosidine,APD,NZ,310.C,LPS,CE,543.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,310.C - 547.A,Pentosidine,APD,NZ,310.C,LPS,CE,547.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,310.C - 547.C,Pentosidine,APD,NZ,310.C,LPS,CE,547.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,345.B - 579.B,Pentosidine,APD,NZ,345.B,LPS,CE,579.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,349.C - 579.B,Pentosidine,APD,NZ,349.C,LPS,CE,579.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,436.A - 669.B,Pentosidine,APD,NZ,436.A,LPS,CE,669.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,436.A - 673.A,Pentosidine,APD,NZ,436.A,LPS,CE,673.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,436.A - 673.C,Pentosidine,APD,NZ,436.A,LPS,CE,673.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,495.B - 268.A,Pentosidine,APD,NZ,495.B,LPS,CE,268.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,513.B - 276.B,Pentosidine,APD,NZ,513.B,LPS,CE,276.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,513.B - 280.A,Pentosidine,APD,NZ,513.B,LPS,CE,280.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,513.B - 280.C,Pentosidine,APD,NZ,513.B,LPS,CE,280.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,514.A - 276.B,Pentosidine,APD,NZ,514.A,LPS,CE,276.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,514.A - 280.A,Pentosidine,APD,NZ,514.A,LPS,CE,280.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,514.A - 280.C,Pentosidine,APD,NZ,514.A,LPS,CE,280.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,514.C - 276.B,Pentosidine,APD,NZ,514.C,LPS,CE,276.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,514.C - 280.A,Pentosidine,APD,NZ,514.C,LPS,CE,280.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,517.A - 276.B,Pentosidine,APD,NZ,517.A,LPS,CE,276.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,517.A - 280.A,Pentosidine,APD,NZ,517.A,LPS,CE,280.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,517.A - 280.C,Pentosidine,APD,NZ,517.A,LPS,CE,280.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,517.C - 276.B,Pentosidine,APD,NZ,517.C,LPS,CE,276.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,523.A - 282.B,Pentosidine,APD,NZ,523.A,LPS,CE,282.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,523.A - 286.A,Pentosidine,APD,NZ,523.A,LPS,CE,286.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,523.A - 286.C,Pentosidine,APD,NZ,523.A,LPS,CE,286.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,523.C - 282.B,Pentosidine,APD,NZ,523.C,LPS,CE,282.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,523.C - 286.C,Pentosidine,APD,NZ,523.C,LPS,CE,286.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,660.B - 424.C,Pentosidine,APD,NZ,660.B,LPS,CE,424.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,663.B - 432.A,Pentosidine,APD,NZ,663.B,LPS,CE,432.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,756.C - 986.B,Pentosidine,APD,NZ,756.C,LPS,CE,986.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,756.C - 990.A,Pentosidine,APD,NZ,756.C,LPS,CE,990.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,804.B - 1044.A,Pentosidine,APD,NZ,804.B,LPS,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,808.A - 1044.A,Pentosidine,APD,NZ,808.A,LPS,CE,1044.A,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,945.B - 6.B,Pentosidine,APD,NZ,945.B,LPS,CE,6.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,945.B - 9.C,Pentosidine,APD,NZ,945.B,LPS,CE,9.C,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,949.A - 6.B,Pentosidine,APD,NZ,949.A,LPS,CE,6.B,NONE,NONE,NONE,NONE +xiphophorus_maculatus,ARG_LYS,N,949.A - 9.C,Pentosidine,APD,NZ,949.A,LPS,CE,9.C,NONE,NONE,NONE,NONE + diff --git a/src/colbuilder/data/sequence/modeller/top_heav_mod.lib b/src/colbuilder/data/sequence/modeller/top_heav_mod.lib index ccfdc0b..9536874 100644 --- a/src/colbuilder/data/sequence/modeller/top_heav_mod.lib +++ b/src/colbuilder/data/sequence/modeller/top_heav_mod.lib @@ -833,39 +833,62 @@ IC C18 O19 *C19 C20 2.405 37.83 -124.49 108.85 1.524 IC C20 NH1 *C16 C15 2.458 30.12 179.55 112.23 1.496 -PRES RAPD 1.00000 -ATOM NE NH1 -0.16000 -ATOM NH1 NR1 -0.04000 -ATOM NH2 NR2 -0.70000 +PRESI RAPD 1.00000 ATOM NZ NH3 0.69000 -ATOM CZ CE1 0.00000 -ATOM C23 CPT 0.13000 +ATOM C23 CPT 0.13000 ATOM C24 CPT 0.13000 ATOM C27 CA 0.16000 ATOM C26 CA 0.16000 ATOM C25 CA 0.16000 -DELETE ATOM NE -DELETE ATOM NH1 -DELETE ATOM NH2 -DELETE ATOM CZ -BOND CZ NE NH1 CZ NH2 CZ C24 NH1 C23 NH2 C24 C23 C27 C24 C26 C27 C25 C26 NZ C25 NZ C23 -IC CG CD NE CZ 1.5375 110.4600 0.0000 119.7200 1.3735 -IC CD NE CZ NH1 1.4640 119.7200 180.0000 117.2800 1.3802 -IC CD NE CZ NH2 1.4640 119.7200 180.0000 117.2300 1.3694 -IC NE CZ NH1 C24 1.3735 117.2800 180.0000 128.0100 1.3802 -IC NE CZ NH2 C23 1.3735 117.2300 180.0000 105.4900 1.3172 -IC CZ NH1 C24 C23 1.3802 128.0100 180.0000 117.7700 1.4278 -IC CZ NH1 C24 C27 1.3802 128.0100 180.0000 106.9900 1.3729 -IC CZ NH2 C23 NZ 1.3694 105.4900 180.0000 112.2200 1.3802 -IC CZ NH2 C23 C24 1.3694 105.4900 180.0000 112.5600 1.4278 -IC NH1 C24 C23 NH2 1.3802 117.7700 180.0000 112.5600 1.3172 -IC NH1 C24 C27 C26 1.3802 106.9900 180.0000 1141.900 1.4278 -IC C24 C27 C26 C25 1.3729 114.1900 180.0000 114.1900 1.3729 -IC C27 C26 C25 NZ 1.4278 114.1900 180.0000 106.9900 1.3802 -IC C26 C25 NZ C23 1.3729 106.9900 180.0000 109.9000 1.3802 -IC C25 NZ C23 C24 1.3802 109.9000 180.0000 117.7700 1.4278 -IC C25 NZ C23 NH2 1.3802 109.9000 180.0000 112.2200 1.3170 -IC C15 C20 *C16 NH1 1.4000 115.6500 180.0000 120.7100 1.4000 +BOND NH2 C23 ! 1.368 +BOND C23 NZ ! 1.352 +BOND NZ C25 ! 1.350 +BOND C25 C26 ! 1.392 +BOND C26 C27 ! 1.394 +BOND C27 C24 ! 1.391 +BOND C24 NH1 ! 1.368 +BOND C24 C23 ! 1.390 +IMPR NE CZ NH2 C23 ! 178.74 +IMPR NH1 CZ NH2 C23 ! 1.38 +IMPR CZ NH2 C23 NZ ! 179.27 +IMPR CZ NH2 C23 C24 ! -0.87 +IMPR NH2 C23 NZ C25 ! 179.61 +IMPR C24 C23 NZ C25 ! -0.22 +IMPR C23 NZ C25 C26 ! 0.04 +IMPR NZ C25 C26 C27 ! 0.03 +IMPR C25 C26 C27 C24 ! 0.08 +IMPR C26 C27 C24 NH1 ! -179.66 +IMPR C26 C27 C24 C23 ! -0.26 +IMPR C27 C24 NH1 CZ ! -179.76 +IMPR C23 C24 NH1 CZ ! 0.77 +IMPR C27 C24 C23 NH2 ! -179.50 +IMPR C27 C24 C23 NZ ! 0.36 +IMPR NH1 C24 C23 NH2 ! 0.05 +IMPR NH1 C24 C23 NZ ! 179.91 +IMPR C24 NH1 CZ NE ! -178.89 +IMPR C24 NH1 CZ NH2 ! -1.40 +IC NE CZ NH2 C23 1.351 126.35 178.74 105.13 1.368 +IC NH1 CZ NNH2 C23 1.371 111.54 1.38 105.13 1.368 +IC CZ NH2 C23 NZ 1.310 105.13 179.27 125.46 1.352 +IC CZ NH2 C23 C24 1.310 105.13 -0.87 111.40 1.390 +IC NH2 C23 NZ C25 1.368 125.46 179.61 114.25 1.350 +IC C24 C23 NZ C25 1.390 123.14 -0.22 114.25 1.350 +IC C23 NZ C25 C26 1.352 114.25 0.04 125.80 1.392 +IC NZ C25 C26 C27 1.350 125.80 0.03 119.62 1.394 +IC C25 C26 C27 C24 1.392 119.62 0.08 114.86 1.391 +IC C26 C27 C24 NH1 1.394 114.86 -179.66 133.85 1.368 +IC C26 C27 C24 C23 1.394 114.86 -0.26 122.32 1.390 +IC C27 C24 NH1 CZ 1.391 133.85 -179.76 108.09 1.371 +IC C23 C24 NH1 CZ 1.390 103.82 0.77 108.09 1.371 +IC C27 C24 C23 NH2 1.391 122.32 -179.50 111.40 1.368 +IC C27 C24 C23 NZ 1.391 122.32 0.36 123.14 1.352 +IC NH1 C24 C23 NH2 1.368 103.82 0.05 111.40 1.368 +IC NH1 C24 C23 NZ 1.368 103.82 179.91 123.14 1.352 +IC C24 NH1 CZ NE 1.368 108.09 -178.89 122.06 1.351 +IC C24 NH1 CZ NH2 1.368 108.09 -1.40 111.54 1.310 +IC NE NH2 *CZ NH1 2.374 27.28 -177.36 111.54 1.371 +IC NH2 NZ *C23 C24 2.417 27.44 -179.84 123.14 1.390 +IC C27 NH1 *C24 C23 2.539 23.28 -179.47 103.82 1.390 RESI SER 0.00000 diff --git a/src/colbuilder/data/topology/amber99/aminoacids.rtp b/src/colbuilder/data/topology/amber99/aminoacids.rtp index 6fcb801..2a7447d 100644 --- a/src/colbuilder/data/topology/amber99/aminoacids.rtp +++ b/src/colbuilder/data/topology/amber99/aminoacids.rtp @@ -2142,8 +2142,8 @@ [ AGS ] [ atoms ] - N N -0.409776 1 - H H 0.227143 2 + N N -0.409776 1 + H H 0.227143 2 CA CT 0.134081 3 HA H1 0.036462 4 CB CT -0.030064 5 @@ -2156,31 +2156,30 @@ HD1 H1 0.040543 12 HD2 H1 0.040543 13 NE N2 -0.649385 14 - HE H 0.368975 15 - CZ CQ 0.791168 16 + HE H 0.368975 15 + CZ C 0.791168 16 NH1 N* -0.471221 17 - NH2 NB -0.897004 18 - C C 0.506324 19 - O O -0.523842 20 - C15 CT 0.707421 21 - H15 H1 -0.022832 22 - C16 CB 0.019125 23 - NZ N3 -0.085682 24 - HNZ H 0.327451 25 - C17 CT -0.273185 26 - H171 HC 0.111278 27 - H172 HC 0.111278 28 - C18 CT 0.212995 29 - H18 H1 0.106158 30 - O18 OH -0.643348 31 - HO18 HO 0.395352 32 - C19 CT 0.207711 33 - H19 H1 0.003185 34 - O19 OH -0.614835 35 - HO19 HO 0.388586 36 - C20 CT -0.069824 37 - H201 HC 0.080283 38 - H202 HC 0.080283 39 + NH2 N* -0.897004 18 + C C 0.506324 19 + O O -0.523842 20 + C15 CT 0.707421 20 + H15 H2 -0.022832 21 + C16 C 0.019125 22 + NZ N3 -0.085682 17 + C17 CT -0.273185 23 + H171 H1 0.111278 24 + H172 H1 0.111278 25 + C18 CT 0.212995 26 + H18 H1 0.106158 27 + O18 OH -0.643348 28 + HO18 HO 0.395352 29 + C19 CT 0.207711 30 + H19 H1 0.003185 31 + O19 OH -0.614835 32 + HO19 HO 0.388586 33 + C20 CT -0.069824 34 + H201 HC 0.080283 35 + H202 HC 0.080283 36 [ bonds ] N H N CA @@ -2200,36 +2199,35 @@ NE CZ CZ NH1 CZ NH2 - NH1 C16 NH2 C15 - C16 C20 - C20 H201 - C20 H202 - C20 C19 - C19 H19 - C19 O19 - O19 HO19 - C19 C18 + NH1 C16 + C15 H15 + C15 NZ + C17 NZ + C17 H171 + C17 H172 + C17 C18 C18 H18 C18 O18 O18 HO18 - C18 C17 - C17 H171 - C17 H172 - C17 NZ - NZ HNZ - NZ C15 - C15 H15 - C15 C16 + C18 C19 + C19 H19 + C19 O19 + O19 HO19 + C20 C19 + C20 H201 + C20 H202 + C20 C16 + C16 C15 C O -C N - [ impropers ] +[ impropers ] -C CA N H - CA +N C O - CZ NH1 NE NH2 - C15 NH2 C16 NZ - C16 C15 NH1 C20 - + CA +N C O + CZ NH1 NE NH2 + C15 NH2 C16 NZ + C16 C15 NH1 C20 + [LGX] [ atoms ] N N -0.448402 1 @@ -2248,8 +2246,8 @@ CE CT -0.453323 14 HE1 H1 0.168580 15 HE2 H1 0.168580 16 - C C 0.587484 17 - O O -0.561561 18 + C C 0.587484 18 + O O -0.561561 19 [ bonds ] N H N CA @@ -2273,6 +2271,237 @@ -C CA N H CA +N C O +[ APD ] + [ atoms ] + N N -0.295591 1 + H H 0.255825 2 + CA CT -0.347378 3 + HA H1 0.186036 4 + CB CT -0.161499 5 + HB1 HC 0.071742 6 + HB2 HC 0.071742 7 + CG CT 0.162532 8 + HG1 HC 0.024357 9 + HG2 HC 0.024357 10 + CD CT -0.075356 11 + HD1 HC 0.095229 12 + HD2 HC 0.095229 13 + NE N2 -0.555517 14 + HE H 0.328610 15 + CZ CQ 0.887151 16 + NH1 NA -0.796976 17 + HH1 H 0.481368 18 + NH2 NB -0.699312 19 + C23 CM 0.556462 20 + C24 CB 0.187765 21 + NZ N* -0.077145 22 + C25 CM -0.094801 23 + H25 H4 0.202281 24 + C26 CA -0.248796 25 + H26 HA 0.214500 26 + C27 CA -0.129208 27 + H27 HA 0.220347 28 + C C 0.737116 29 + O O -0.570742 30 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD NE + NE HE + NE CZ + CZ NH1 + CZ NH2 + NH1 HH1 + NH1 C24 + NH2 C23 + C23 C24 + C23 NZ + NZ C25 + C25 H25 + C25 C26 + C26 H26 + C26 C27 + C27 H27 + C27 C24 + C O + -C N + [ impropers ] + -C CA N H + CA +N C O + C24 C25 C26 H25 + C25 C26 C27 H26 + C26 C27 C24 H27 + NE CZ NH1 NH2 + C23 NZ C25 C24 + +[ LPS ] + [ atoms ] + N N -0.210936 1 + H H 0.194442 2 + CA CT -0.135864 3 + HA H1 0.106313 4 + CB CT -0.129470 5 + HB1 HC 0.063701 6 + HB2 HC 0.063701 7 + CG CT 0.028893 8 + HG1 HC 0.020343 9 + HG2 HC 0.020343 10 + CD CT 0.016159 11 + HD1 HC 0.029951 12 + HD2 HC 0.029951 13 + CE CT -0.057043 14 + HE1 H1 0.093913 15 + HE2 H1 0.093913 16 + C C 0.615994 17 + O O -0.594629 18 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + C O + -C N +[ impropers ] + -C CA N H + CA +N C O + +[ LZS ] + [ atoms ] + N N -0.248165 1 + H H 0.192753 2 + CA CT -0.131209 3 + HA H1 0.152190 4 + CB CT -0.317682 5 + HB1 HC 0.119936 6 + HB2 HC 0.119936 7 + CG CT -0.121262 8 + HG1 HC 0.059129 9 + HG2 HC 0.059129 10 + CD CT 0.179907 11 + HD1 HC 0.006067 12 + HD2 HC 0.006067 13 + CE CT -0.211763 14 + HE1 H1 0.132006 15 + HE2 H1 0.132006 16 + NZ2 N* 0.142816 17 + C C 0.638251 18 + O O -0.526574 19 + C31 CQ -0.043104 20 + H31 H5 0.184965 21 + NZ1 N* -0.066795 22 + C30 CC -0.292230 23 + H30 H4 0.231915 24 + C28 CC 0.240186 25 + CH3 CT -0.412773 26 + HH31 HC 0.155018 27 + HH32 HC 0.155018 28 + HH33 HC 0.155018 29 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + CE NZ2 + C O + -C N + NZ2 C31 + C31 H31 + C31 NZ1 + NZ2 C30 + C30 H30 + C30 C28 + C28 CH3 + CH3 HH31 + CH3 HH32 + CH3 HH33 + C28 NZ1 + [ impropers ] + -C CA N H + CA +N C O + CE C31 NZ1 C28 + H31 NZ2 C31 NZ1 + NZ1 C28 C30 CH3 + H30 NZ1 C30 C28 + +[ LZD ] + [ atoms ] + N N -0.333459 1 + H H 0.244989 2 + CA CT -0.318983 3 + HA H1 0.163519 4 + CB CT -0.155066 5 + HB1 HC 0.070095 6 + HB2 HC 0.070095 7 + CG CT 0.083988 8 + HG1 HC 0.059255 9 + HG2 HC 0.059255 10 + CD CT -0.171715 11 + HD1 HC 0.081180 12 + HD2 HC 0.081180 13 + CE CT -0.042829 14 + HE1 H1 0.100770 15 + HE2 H1 0.100770 16 + C C 0.702386 17 + O O -0.486187 18 + +[ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + C O + -C N + [ impropers ] + -C CA N H + CA +N C O + [ ORN ] ; charges taken from amber99.prm of tinker 4.0 [ atoms ] N N -0.34790 1 diff --git a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.hdb b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.hdb index 95d96a6..9a54f1f 100644 --- a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.hdb +++ b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.hdb @@ -268,6 +268,62 @@ LYY 8 2 6 HE CE CD NZ 1 1 H10 C10 C12 C13 1 1 H14 C14 C13 NZ +AGS 13 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG NE +1 1 HE NE CD CZ +1 1 H15 C15 C16 NZ +2 6 H17 C17 C15 NZ +1 1 H18 C18 C17 O18 +1 1 H19 C19 C18 C20 +2 6 H20 C20 C19 C16 +1 2 HO18 O18 C18 C17 +1 2 HO19 O19 C19 C18 +LGX 6 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG CE +2 6 HE CE CD CB +LZS 9 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG CE +2 6 HE CE CD CB +1 1 H30 C30 NZ1 C28 +1 4 H31 C31 NZ1 NZ2 +3 4 HH3 CH3 C28 NZ1 +LZD 6 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG CE +2 6 HE CE CD CB +APD 10 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG NE +1 1 HE NE CD CZ +1 1 HH1 NH1 C24 CZ +1 1 H25 C25 C26 NZ +1 1 H26 C26 C27 C24 +1 1 H27 C27 C24 C23 +LPS 6 +1 1 H N -C CA +1 5 HA CA N CB C +2 6 HB CB CA CG +2 6 HG CG CB CD +2 6 HD CD CG CE +2 6 HE CE CD CB L3X 4 1 1 H N -C CA 1 5 HA CA N CB C diff --git a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.rtp b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.rtp index fbabb62..2ed2a3e 100644 --- a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.rtp +++ b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/aminoacids.rtp @@ -2019,6 +2019,366 @@ CA +N C O NZ C10 H10 C12 NZ C14 H14 C13 +[ AGS ] + [ atoms ] + N N -0.409776 1 + H H 0.227143 2 + CA CT 0.134081 3 + HA H1 0.036462 4 + CB CT -0.030064 5 + HB1 HC 0.026185 6 + HB2 HC 0.026185 7 + CG CT 0.024089 8 + HG1 HC -0.005728 9 + HG2 HC -0.005728 10 + CD CT 0.122941 11 + HD1 H1 0.040543 12 + HD2 H1 0.040543 13 + NE N2 -0.649385 14 + HE H 0.368975 15 + CZ C 0.791168 16 + NH1 N* -0.471221 17 + NH2 N* -0.897004 18 + C C 0.506324 19 + O O -0.523842 20 + C15 CT 0.707421 20 + H15 H2 -0.022832 21 + C16 C 0.019125 22 + NZ N3 -0.085682 17 + C17 CT -0.273185 23 + H171 H1 0.111278 24 + H172 H1 0.111278 25 + C18 CT 0.212995 26 + H18 H1 0.106158 27 + O18 OH -0.643348 28 + HO18 HO 0.395352 29 + C19 CT 0.207711 30 + H19 H1 0.003185 31 + O19 OH -0.614835 32 + HO19 HO 0.388586 33 + C20 CT -0.069824 34 + H201 HC 0.080283 35 + H202 HC 0.080283 36 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD NE + NE HE + NE CZ + CZ NH1 + CZ NH2 + NH2 C15 + NH1 C16 + C15 H15 + C15 NZ + C17 NZ + C17 H171 + C17 H172 + C17 C18 + C18 H18 + C18 O18 + O18 HO18 + C18 C19 + C19 H19 + C19 O19 + O19 HO19 + C20 C19 + C20 H201 + C20 H202 + C20 C16 + C16 C15 + C O + -C N +[ impropers ] + -C CA N H + CA +N C O + CZ NH1 NE NH2 + C15 NH2 C16 NZ + C16 C15 NH1 C20 + +[LGX] + [ atoms ] + N N -0.448402 1 + H H 0.244307 2 + CA CT 0.219872 3 + HA H1 0.060908 4 + CB CT -0.517274 5 + HB1 HC 0.160769 6 + HB2 HC 0.160769 7 + CG CT -0.046119 8 + HG1 HC 0.028325 9 + HG2 HC 0.028325 10 + CD CT 0.069291 11 + HD1 HC 0.031814 12 + HD2 HC 0.031814 13 + CE CT -0.453323 14 + HE1 H1 0.168580 15 + HE2 H1 0.168580 16 + C C 0.587484 18 + O O -0.561561 19 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + C O + -C N + [ impropers ] + -C CA N H + CA +N C O + +[ APD ] + [ atoms ] + N N -0.295591 1 + H H 0.255825 2 + CA CT -0.347378 3 + HA H1 0.186036 4 + CB CT -0.161499 5 + HB1 HC 0.071742 6 + HB2 HC 0.071742 7 + CG CT 0.162532 8 + HG1 HC 0.024357 9 + HG2 HC 0.024357 10 + CD CT -0.075356 11 + HD1 HC 0.095229 12 + HD2 HC 0.095229 13 + NE N2 -0.555517 14 + HE H 0.328610 15 + CZ CQ 0.887151 16 + NH1 NA -0.796976 17 + HH1 H 0.481368 18 + NH2 NB -0.699312 19 + C23 CM 0.556462 20 + C24 CB 0.187765 21 + NZ N* -0.077145 22 + C25 CM -0.094801 23 + H25 H4 0.202281 24 + C26 CA -0.248796 25 + H26 HA 0.214500 26 + C27 CA -0.129208 27 + H27 HA 0.220347 28 + C C 0.737116 29 + O O -0.570742 30 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD NE + NE HE + NE CZ + CZ NH1 + CZ NH2 + NH1 HH1 + NH1 C24 + NH2 C23 + C23 C24 + C23 NZ + NZ C25 + C25 H25 + C25 C26 + C26 H26 + C26 C27 + C27 H27 + C27 C24 + C O + -C N + [ impropers ] + -C CA N H + CA +N C O + C24 C25 C26 H25 + C25 C26 C27 H26 + C26 C27 C24 H27 + NE CZ NH1 NH2 + C23 NZ C25 C24 + +[ LPS ] + [ atoms ] + N N -0.210936 1 + H H 0.194442 2 + CA CT -0.135864 3 + HA H1 0.106313 4 + CB CT -0.129470 5 + HB1 HC 0.063701 6 + HB2 HC 0.063701 7 + CG CT 0.028893 8 + HG1 HC 0.020343 9 + HG2 HC 0.020343 10 + CD CT 0.016159 11 + HD1 HC 0.029951 12 + HD2 HC 0.029951 13 + CE CT -0.057043 14 + HE1 H1 0.093913 15 + HE2 H1 0.093913 16 + C C 0.615994 17 + O O -0.594629 18 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + C O + -C N +[ impropers ] + -C CA N H + CA +N C O + +[ LZS ] + [ atoms ] + N N -0.248165 1 + H H 0.192753 2 + CA CT -0.131209 3 + HA H1 0.152190 4 + CB CT -0.317682 5 + HB1 HC 0.119936 6 + HB2 HC 0.119936 7 + CG CT -0.121262 8 + HG1 HC 0.059129 9 + HG2 HC 0.059129 10 + CD CT 0.179907 11 + HD1 HC 0.006067 12 + HD2 HC 0.006067 13 + CE CT -0.211763 14 + HE1 H1 0.132006 15 + HE2 H1 0.132006 16 + NZ2 N* 0.142816 17 + C C 0.638251 18 + O O -0.526574 19 + C31 CQ -0.043104 20 + H31 H5 0.184965 21 + NZ1 N* -0.066795 22 + C30 CC -0.292230 23 + H30 H4 0.231915 24 + C28 CC 0.240186 25 + CH3 CT -0.412773 26 + HH31 HC 0.155018 27 + HH32 HC 0.155018 28 + HH33 HC 0.155018 29 + [ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + CE NZ2 + C O + -C N + NZ2 C31 + C31 H31 + C31 NZ1 + NZ2 C30 + C30 H30 + C30 C28 + C28 CH3 + CH3 HH31 + CH3 HH32 + CH3 HH33 + C28 NZ1 + [ impropers ] + -C CA N H + CA +N C O + CE C31 NZ1 C28 + H31 NZ2 C31 NZ1 + NZ1 C28 C30 CH3 + H30 NZ1 C30 C28 +[ LZD ] + [ atoms ] + N N -0.333459 1 + H H 0.244989 2 + CA CT -0.318983 3 + HA H1 0.163519 4 + CB CT -0.155066 5 + HB1 HC 0.070095 6 + HB2 HC 0.070095 7 + CG CT 0.083988 8 + HG1 HC 0.059255 9 + HG2 HC 0.059255 10 + CD CT -0.171715 11 + HD1 HC 0.081180 12 + HD2 HC 0.081180 13 + CE CT -0.042829 14 + HE1 H1 0.100770 15 + HE2 H1 0.100770 16 + C C 0.702386 17 + O O -0.486187 18 + +[ bonds ] + N H + N CA + CA HA + CA CB + CA C + CB HB1 + CB HB2 + CB CG + CG HG1 + CG HG2 + CG CD + CD HD1 + CD HD2 + CD CE + CE HE1 + CE HE2 + C O + -C N + [ impropers ] + -C CA N H + CA +N C O [ ORN ] ; charges taken from amber99.prm of tinker 4.0 [ atoms ] diff --git a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/ffbonded.itp b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/ffbonded.itp index 4c832db..b24b211 100644 --- a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/ffbonded.itp +++ b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/ffbonded.itp @@ -98,6 +98,17 @@ CT F 1 0.13800 307105.6 ; 13,(1992),963;CF4; R0=1.332 FOR CHF3 CC CC 1 0.14290 350030.0 ; AOK_parm.PYL CV N* 1 0.13710 367190.0 ; AOK_parm.PYL + N2 C 1 0.13901 345010.0 ; GG_parm.Glucosepane + N* CQ 1 0.13710 367190.0 ; GG_parm.MOLD + N* CC 1 0.13710 367190.0 ; GG_parm.MOLD + CC H4 1 0.10830 292960.0 ; GG_parm.MOLD + N2 CQ 1 0.13735 364180.0 ; GG_parm.Pentosidine + CQ NA 1 0.13802 356310.0 ; GG_parm.Pentosidine + CQ NB 1 0.13694 369110.0 ; GG_parm.Pentosidine + NA CB 1 0.13802 356310.0 ; GG_parm.Pentosidine + NB CM 1 0.13172 439650.0 ; GG_parm.Pentosidine + CM CB 1 0.14278 351290.0 ; GG_parm.Pentosidine + [ constrainttypes ] @@ -379,6 +390,42 @@ CV N* CV 1 109.900 576.890 ; AOK_parm.PYL N* CV H4 1 119.660 420.240 ; AOK_parm.PYL N* CV CC 1 109.420 610.110 ; AOK_parm.PYL CT CC CC 1 115.970 541.070 ; AOK_parm.PYL +CT N2 C 1 120.120 529.690 ; GG_parm.Glucosepane +H N2 C 1 115.680 405.010 ; GG_parm.Glucosepane +N2 C N* 1 113.640 604.170 ; GG_parm.Glucosepane +N* C N* 1 120.690 606.680 ; GG_parm.Glucosepane +C N* C 1 116.010 571.530 ; GG_parm.Glucosepane +N* CT N3 1 120.710 561.490 ; GG_parm.Glucosepane +N* CT C 1 120.710 561.490 ; GG_parm.Glucosepane +H2 CT C 1 111.690 390.790 ; GG_parm.Glucosepane +H2 CT N3 1 109.350 415.050 ; GG_parm.Glucosepane +N* C CT 1 108.720 564.000 ; GG_parm.Glucosepane +CT N* CQ 1 125.090 523.500 ; GG_parm.MOLD +CT N* CC 1 125.090 523.500 ; GG_parm.MOLD +CQ N* CC 1 128.010 534.550 ; GG_parm.MOLD +N* CQ H5 1 122.100 416.390 ; GG_parm.MOLD +N* CQ N* 1 129.110 394.890 ; GG_parm.MOLD +N* CC H4 1 119.660 420.240 ; GG_parm.MOLD +N* CC CC 1 109.420 610.110 ; GG_parm.MOLD +N* CC CT 1 122.780 548.100 ; GG_parm.MOLD +H4 CC CC 1 129.110 394.890 ; GG_parm.MOLD +CT N2 CQ 1 119.720 533.040 ; GG_parm.Pentosidine +H N2 CQ 1 115.630 409.200 ; GG_parm.Pentosidine +N2 CQ NA 1 117.280 600.820 ; GG_parm.Pentosidine +N2 CQ NB 1 117.230 603.330 ; GG_parm.Pentosidine +NA CQ NB 1 121.950 590.780 ; GG_parm.Pentosidine +CQ NA H 1 125.500 391.620 ; GG_parm.Pentosidine +CQ NA CB 1 128.010 531.370 ; GG_parm.Pentosidine +H NA CB 1 125.500 391.620 ; GG_parm.Pentosidine +CQ NB CM 1 105.490 600.820 ; GG_parm.Pentosidine +NB CM CB 1 112.560 599.150 ; GG_parm.Pentosidine +NB CM N* 1 112.220 626.760 ; GG_parm.Pentosidine +CB CM N* 1 117.770 574.040 ; GG_parm.Pentosidine +NA CB CM 1 117.770 574.040 ; GG_parm.Pentosidine +NA CB CA 1 106.990 614.210 ; GG_parm.Pentosidine +CM CB CA 1 114.190 570.700 ; GG_parm.Pentosidine +CM CA HA 1 121.760 405.850 ; GG_parm.Pentosidine + [ dihedraltypes ] ;i j k l func phase kd pn @@ -449,6 +496,58 @@ CT N* CV H4 1 0.00 4.60240 2 ; AOK_parm.PYL CT N* CV CC 1 180.00 4.60240 2 ; AOK_parm.PYL CV N* CV H4 1 180.00 4.60240 2 ; AOK_parm.PYL CV N* CV CC 1 0.00 4.60240 2 ; AOK_parm.PYL +; +CT N2 C N* 9 180.00 4.39320 2 ; GG_parm.Glucosepane +H N2 C N* 9 180.00 4.39320 2 ; GG_parm.Glucosepane +C CT N* CT 4 180.00 4.60240 2 ; GG_parm.Glucosepane +C N* N2 N* 4 180.00 4.60240 2 ; GG_parm.Glucosepane +CT N* C N3 4 180.00 4.60240 2 ; GG_parm.Glucosepane +; +CT N* CQ H5 9 180.00 7.11280 2 ; GG_parm.MOLD +CT N* CQ N* 9 180.00 7.11280 2 ; GG_parm.MOLD +CC N* CQ H5 9 180.00 7.11280 2 ; GG_parm.MOLD +CC N* CQ N* 9 180.00 7.11280 2 ; GG_parm.MOLD +CT N* CC H4 9 180.00 7.11280 2 ; GG_parm.MOLD +CT N* CC CC 9 180.00 7.11280 2 ; GG_parm.MOLD +CQ N* CC H4 9 180.00 7.11280 2 ; GG_parm.MOLD +CQ N* CC CC 9 180.00 7.11280 2 ; GG_parm.MOLD +N* CQ N* CT 9 180.00 7.11280 2 ; GG_parm.MOLD +N* CQ N* CC 9 180.00 7.11280 2 ; GG_parm.MOLD +CT N* CC CT 9 180.00 7.11280 2 ; GG_parm.MOLD +CQ N* CC CC 9 180.00 7.11280 2 ; GG_parm.MOLD +CQ N* CC CT 9 180.00 7.11280 2 ; GG_parm.MOLD +N* CC CC CT 9 180.00 16.73600 2 ; GG_parm.MOLD +H4 CC CC CT 9 180.00 16.73600 2 ; GG_parm.MOLD +N* CC CC N* 9 180.00 7.11280 2 ; GG_parm.MOLD +H4 CC CC N* 9 180.00 16.73600 2 ; GG_parm.MOLD +CT CQ N* CC 4 180.00 4.60240 2 ; GG_parm.MOLD +H5 N* CQ N* 4 180.00 4.60240 2 ; GG_parm.MOLD +N* CC CC CT 4 180.00 4.60240 2 ; GG_parm.MOLD +H4 N* CC CC 4 180.00 4.60240 2 ; GG_parm.MOLD +; +CT N2 CQ NA 9 180.00 4.39320 2 ; GG_parm.Pentosidine +CT N2 CQ NB 9 180.00 4.39320 2 ; GG_parm.Pentosidine +H N2 CQ NA 9 180.00 4.39320 2 ; GG_parm.Pentosidine +H N2 CQ NB 9 180.00 4.39320 2 ; GG_parm.Pentosidine +N2 CQ NA H 9 180.00 7.11280 2 ; GG_parm.Pentosidine +N2 CQ NA CB 9 180.00 7.11280 2 ; GG_parm.Pentosidine +NB CQ NA H 9 180.00 7.11280 2 ; GG_parm.Pentosidine +NB CQ NA CB 9 180.00 7.11280 2 ; GG_parm.Pentosidine +N2 CQ NB CM 9 180.00 19.87400 2 ; GG_parm.Pentosidine +NA CQ NB CM 9 180.00 19.87400 2 ; GG_parm.Pentosidine +NB CM CB NA 9 180.00 16.73600 2 ; GG_parm.Pentosidine +CQ NA CB CM 9 180.00 7.11280 2 ; GG_parm.Pentosidine +CQ NA CB CA 9 180.00 7.11280 2 ; GG_parm.Pentosidine +H NA CB CM 9 180.00 7.11280 2 ; GG_parm.Pentosidine +H NA CB CA 9 180.00 7.11280 2 ; GG_parm.Pentosidine +CQ NB CM CB 9 180.00 19.87400 2 ; GG_parm.Pentosidine +CQ NB CM N* 9 180.00 19.87400 2 ; GG_parm.Pentosidine +NB CM CB CA 9 180.00 16.73600 2 ; GG_parm.Pentosidine +N* CM CB CA 9 180.00 16.73600 2 ; GG_parm.Pentosidine +N* CM CB NA 9 180.00 16.73600 2 ; GG_parm.Pentosidine +N2 CQ NA NB 4 180.00 4.60240 2 ; GG_parm.Pentosidine +CM N* CM CB 4 180.00 4.60240 2 ; GG_parm.Pentosidine +CA CA CB HA 4 180.00 4.60240 2 ; GG_parm.Pentosidine [ dihedraltypes ] ;i j k l func diff --git a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/residuetypes.dat b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/residuetypes.dat index badc038..81dc780 100644 --- a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/residuetypes.dat +++ b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/residuetypes.dat @@ -161,6 +161,12 @@ CCYS2 Protein CMET Protein CASPH Protein CGLUH Protein +LZS Protein +LZD Protein +AGS Protein +LGX Protein +LPS Protein +APD Protein DA DNA DG DNA DC DNA diff --git a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/specbond.dat b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/specbond.dat index 7e569df..6c0bace 100644 --- a/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/specbond.dat +++ b/src/colbuilder/data/topology/amber99sb-star-ildnp.ff/specbond.dat @@ -8,4 +8,7 @@ L4X CE 1 L5X NZ 1 0.152 L4X L5X L4Y CE 1 L5Y NZ 1 0.790 L4Y L5Y L4Y CE 1 L5Y NZ 1 0.350 L4Y L5Y L44 CE 1 L5S NZ 1 0.152 L44 L5S -L5S CE 1 HIH CE1 1 0.152 L5S HIH \ No newline at end of file +L5S CE 1 HIH CE1 1 0.152 L5S HIH +LZS NZ1 1 LZD CE 1 0.146 LZS LZD +AGS NZ 1 LGX CE 1 0.147 AGS LGX +LPS CE 1 APD NZ 1 0.146 LPS APD