data_18455 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal domain from human REV1 ; _BMRB_accession_number 18455 _BMRB_flat_file_name bmr18455.str _Entry_type original _Submission_date 2012-05-09 _Accession_date 2012-05-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pozhidaeva Alexandra . . 2 Pustovalova Yulia . . 3 Bezsonova Irina . . 4 Korzhnev Dmitry . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 524 "13C chemical shifts" 380 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-08 update BMRB 'update entry citation' 2012-12-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18434 'C-terminal domain of human REV1 in complex with DNA-polymerase H (eta)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure and dynamics of the C-terminal domain from human Rev1 and its complex with Rev1 interacting region of DNA polymerase .' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22691049 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pozhidaeva Alexandra . . 2 Pustovalova Yulia . . 3 Bezsonova Sanjay . . 4 Walker Irina . . 5 Korzhnev Graham C. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5506 _Page_last 5520 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name REV1-CT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label REV1-CT $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11011.758 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GNLAGAVEFNDVKTLLREWI TTISDPMEEDILQVVKYCTD LIEEKDLEKLDLVIKYMKRL MQQSVESVWNMAFDFILDNV QVVLQQTYGSTLKVT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1157 GLY 2 1158 ASN 3 1159 LEU 4 1160 ALA 5 1161 GLY 6 1162 ALA 7 1163 VAL 8 1164 GLU 9 1165 PHE 10 1166 ASN 11 1167 ASP 12 1168 VAL 13 1169 LYS 14 1170 THR 15 1171 LEU 16 1172 LEU 17 1173 ARG 18 1174 GLU 19 1175 TRP 20 1176 ILE 21 1177 THR 22 1178 THR 23 1179 ILE 24 1180 SER 25 1181 ASP 26 1182 PRO 27 1183 MET 28 1184 GLU 29 1185 GLU 30 1186 ASP 31 1187 ILE 32 1188 LEU 33 1189 GLN 34 1190 VAL 35 1191 VAL 36 1192 LYS 37 1193 TYR 38 1194 CYS 39 1195 THR 40 1196 ASP 41 1197 LEU 42 1198 ILE 43 1199 GLU 44 1200 GLU 45 1201 LYS 46 1202 ASP 47 1203 LEU 48 1204 GLU 49 1205 LYS 50 1206 LEU 51 1207 ASP 52 1208 LEU 53 1209 VAL 54 1210 ILE 55 1211 LYS 56 1212 TYR 57 1213 MET 58 1214 LYS 59 1215 ARG 60 1216 LEU 61 1217 MET 62 1218 GLN 63 1219 GLN 64 1220 SER 65 1221 VAL 66 1222 GLU 67 1223 SER 68 1224 VAL 69 1225 TRP 70 1226 ASN 71 1227 MET 72 1228 ALA 73 1229 PHE 74 1230 ASP 75 1231 PHE 76 1232 ILE 77 1233 LEU 78 1234 ASP 79 1235 ASN 80 1236 VAL 81 1237 GLN 82 1238 VAL 83 1239 VAL 84 1240 LEU 85 1241 GLN 86 1242 GLN 87 1243 THR 88 1244 TYR 89 1245 GLY 90 1246 SER 91 1247 THR 92 1248 LEU 93 1249 LYS 94 1250 VAL 95 1251 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18432 Rev1 98.95 232 100.00 100.00 6.54e-58 BMRB 18434 entity_1 100.00 95 100.00 100.00 1.48e-60 PDB 2LSI "Solution Structure Of Polymerase-interacting Domain Of Human Rev1 In Complex With Translesional Synthesis Polymerase Kappa" 98.95 99 100.00 100.00 1.14e-59 PDB 2LSK "C-terminal Domain Of Human Rev1 In Complex With Dna-polymerase H (eta)" 100.00 95 100.00 100.00 1.48e-60 PDB 2LSY "Structure Of The C-terminal Domain From Human Rev1" 100.00 95 100.00 100.00 1.48e-60 PDB 3VU7 "Crystal Structure Of Rev1-rev7-rev3 Ternary Complex" 98.95 124 100.00 100.00 4.37e-60 PDB 4BA9 "The Structural Basis For The Coordination Of Y-family Translesion Dna Polymerases By Rev1" 89.47 114 100.00 100.00 6.65e-53 PDB 4EXT "Structure Of Polymerase-interacting Domain Of Human Rev1 In Complex With Translesional Synthesis Polymerase Zeta" 98.95 96 100.00 100.00 1.61e-59 PDB 4GK0 "Crystal Structure Of Human Rev3-rev7-rev1 Complex" 98.95 136 100.00 100.00 4.34e-60 PDB 4GK5 "Crystal Structure Of Human Rev3-rev7-rev1-polkappa Complex" 98.95 136 100.00 100.00 4.34e-60 DBJ BAB21441 "Rev1S [Homo sapiens]" 98.95 1250 100.00 100.00 8.71e-56 EMBL CAB38231 "alpha integrin binding protein 80 [Homo sapiens]" 98.95 774 100.00 100.00 1.49e-56 EMBL CAH93279 "hypothetical protein [Pongo abelii]" 98.95 1250 100.00 100.00 8.71e-56 GB AAF06731 "deoxycytidyl transferase [Homo sapiens]" 98.95 1251 100.00 100.00 8.73e-56 GB AAF18986 "REV1 protein [Homo sapiens]" 98.95 1251 100.00 100.00 8.73e-56 GB AAI30412 "REV1 homolog (S. cerevisiae) [Homo sapiens]" 98.95 1250 100.00 100.00 8.71e-56 GB AAK43708 "terminal deoxycytidyl transferase [Homo sapiens]" 98.95 1251 100.00 100.00 8.73e-56 GB AAY24314 "unknown [Homo sapiens]" 98.95 1251 100.00 100.00 8.73e-56 REF NP_001032961 "DNA repair protein REV1 isoform 2 [Homo sapiens]" 98.95 1250 100.00 100.00 8.71e-56 REF NP_001126930 "DNA repair protein REV1 [Pongo abelii]" 98.95 1250 100.00 100.00 8.71e-56 REF NP_057400 "DNA repair protein REV1 isoform 1 [Homo sapiens]" 98.95 1251 100.00 100.00 8.73e-56 REF XP_001160264 "PREDICTED: DNA repair protein REV1 isoform X3 [Pan troglodytes]" 98.95 1251 98.94 98.94 6.01e-55 REF XP_001363717 "PREDICTED: DNA repair protein REV1 isoform X1 [Monodelphis domestica]" 98.95 1254 98.94 100.00 2.76e-55 SP Q5R4N7 "RecName: Full=DNA repair protein REV1; AltName: Full=Rev1-like terminal deoxycytidyl transferase" 98.95 1250 100.00 100.00 8.71e-56 SP Q9UBZ9 "RecName: Full=DNA repair protein REV1; AltName: Full=Alpha integrin-binding protein 80; Short=AIBP80; AltName: Full=Rev1-like t" 98.95 1251 100.00 100.00 8.73e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.9 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_Cara _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HNCA' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name REV1-CT _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1158 2 ASN HA H 5.102 0.000 1 2 1158 2 ASN HB2 H 2.524 0.000 2 3 1158 2 ASN HB3 H 2.120 0.000 2 4 1158 2 ASN HD21 H 6.685 0.000 2 5 1158 2 ASN HD22 H 7.419 0.000 2 6 1158 2 ASN C C 172.676 0.000 1 7 1158 2 ASN CA C 52.787 0.000 1 8 1158 2 ASN CB C 41.952 0.000 1 9 1158 2 ASN ND2 N 113.699 0.000 1 10 1159 3 LEU H H 8.563 0.000 1 11 1159 3 LEU HA H 4.327 0.000 1 12 1159 3 LEU HB2 H 1.245 0.000 2 13 1159 3 LEU HB3 H 1.245 0.000 2 14 1159 3 LEU C C 174.339 0.000 1 15 1159 3 LEU CA C 53.390 0.000 1 16 1159 3 LEU CB C 41.952 0.000 1 17 1159 3 LEU N N 125.430 0.000 1 18 1160 4 ALA H H 8.898 0.000 1 19 1160 4 ALA HA H 3.818 0.000 1 20 1160 4 ALA HB H 1.200 0.000 1 21 1160 4 ALA C C 176.853 0.000 1 22 1160 4 ALA CA C 52.869 0.000 1 23 1160 4 ALA CB C 18.119 0.000 1 24 1160 4 ALA N N 126.807 0.000 1 25 1161 5 GLY H H 8.133 0.000 1 26 1161 5 GLY HA2 H 4.028 0.000 2 27 1161 5 GLY HA3 H 3.375 0.000 2 28 1161 5 GLY C C 173.870 0.000 1 29 1161 5 GLY CA C 44.855 0.000 1 30 1161 5 GLY N N 105.113 0.000 1 31 1162 6 ALA H H 8.101 0.000 1 32 1162 6 ALA HA H 4.242 0.000 1 33 1162 6 ALA HB H 1.118 0.000 1 34 1162 6 ALA C C 175.513 0.000 1 35 1162 6 ALA CA C 52.258 0.000 1 36 1162 6 ALA CB C 19.223 0.000 1 37 1162 6 ALA N N 125.447 0.000 1 38 1163 7 VAL H H 8.438 0.000 1 39 1163 7 VAL HA H 4.246 0.000 1 40 1163 7 VAL HB H 1.800 0.000 1 41 1163 7 VAL HG1 H 0.781 0.000 2 42 1163 7 VAL HG2 H 0.827 0.000 2 43 1163 7 VAL C C 177.012 0.000 1 44 1163 7 VAL CA C 62.888 0.000 1 45 1163 7 VAL CB C 34.840 0.000 1 46 1163 7 VAL CG1 C 20.848 0.000 2 47 1163 7 VAL CG2 C 20.773 0.000 2 48 1163 7 VAL N N 120.119 0.000 1 49 1164 8 GLU H H 8.663 0.000 1 50 1164 8 GLU HA H 4.205 0.000 1 51 1164 8 GLU HB2 H 2.146 0.000 2 52 1164 8 GLU HB3 H 1.863 0.000 2 53 1164 8 GLU HG2 H 2.360 0.000 2 54 1164 8 GLU HG3 H 2.263 0.000 2 55 1164 8 GLU CA C 56.192 0.000 1 56 1164 8 GLU CB C 29.251 0.000 1 57 1164 8 GLU CG C 35.964 0.000 1 58 1164 8 GLU N N 122.155 0.000 1 59 1165 9 PHE HA H 4.157 0.000 1 60 1165 9 PHE HB2 H 3.105 0.000 2 61 1165 9 PHE HB3 H 2.864 0.000 2 62 1165 9 PHE HD1 H 7.071 0.000 3 63 1165 9 PHE HD2 H 7.071 0.000 3 64 1165 9 PHE HE1 H 7.749 0.000 3 65 1165 9 PHE HE2 H 7.749 0.000 3 66 1165 9 PHE CA C 61.342 0.000 1 67 1165 9 PHE CB C 38.790 0.000 1 68 1165 9 PHE CD1 C 131.133 0.000 3 69 1165 9 PHE CE1 C 137.816 0.000 3 70 1166 10 ASN H H 9.097 0.000 1 71 1166 10 ASN HA H 3.908 0.000 1 72 1166 10 ASN HB2 H 2.632 0.000 2 73 1166 10 ASN HB3 H 2.582 0.000 2 74 1166 10 ASN HD21 H 7.085 0.000 2 75 1166 10 ASN HD22 H 7.544 0.000 2 76 1166 10 ASN C C 177.440 0.000 1 77 1166 10 ASN CA C 56.647 0.000 1 78 1166 10 ASN CB C 37.608 0.000 1 79 1166 10 ASN N N 115.021 0.000 1 80 1166 10 ASN ND2 N 113.548 0.000 1 81 1167 11 ASP H H 7.092 0.000 1 82 1167 11 ASP HA H 4.327 0.000 1 83 1167 11 ASP HB2 H 2.723 0.000 2 84 1167 11 ASP HB3 H 2.578 0.000 2 85 1167 11 ASP C C 178.137 0.000 1 86 1167 11 ASP CA C 56.846 0.000 1 87 1167 11 ASP CB C 40.017 0.000 1 88 1167 11 ASP N N 118.891 0.000 1 89 1168 12 VAL H H 7.769 0.000 1 90 1168 12 VAL HA H 3.084 0.000 1 91 1168 12 VAL HB H 1.905 0.000 1 92 1168 12 VAL HG1 H 0.589 0.000 2 93 1168 12 VAL HG2 H 0.512 0.000 2 94 1168 12 VAL C C 177.176 0.000 1 95 1168 12 VAL CA C 67.101 0.000 1 96 1168 12 VAL CB C 31.779 0.000 1 97 1168 12 VAL CG1 C 22.007 0.000 2 98 1168 12 VAL CG2 C 20.045 0.000 2 99 1168 12 VAL N N 124.170 0.000 1 100 1169 13 LYS H H 7.950 0.000 1 101 1169 13 LYS HA H 3.312 0.000 1 102 1169 13 LYS HB2 H 1.104 0.000 2 103 1169 13 LYS HB3 H 0.891 0.000 2 104 1169 13 LYS HG2 H 0.208 0.000 2 105 1169 13 LYS HG3 H -0.229 0.000 2 106 1169 13 LYS HD2 H 0.805 0.000 2 107 1169 13 LYS HD3 H 0.666 0.000 2 108 1169 13 LYS HE2 H 1.976 0.000 2 109 1169 13 LYS HE3 H 1.976 0.000 2 110 1169 13 LYS C C 177.966 0.000 1 111 1169 13 LYS CA C 60.679 0.000 1 112 1169 13 LYS CB C 31.383 0.000 1 113 1169 13 LYS CG C 24.409 0.000 1 114 1169 13 LYS CD C 29.492 0.000 1 115 1169 13 LYS N N 117.268 0.000 1 116 1170 14 THR H H 7.430 0.000 1 117 1170 14 THR HA H 3.646 0.000 1 118 1170 14 THR HB H 4.085 0.000 1 119 1170 14 THR HG2 H 1.024 0.000 1 120 1170 14 THR C C 175.508 0.000 1 121 1170 14 THR CA C 66.847 0.000 1 122 1170 14 THR CB C 68.837 0.000 1 123 1170 14 THR CG2 C 21.763 0.000 1 124 1170 14 THR N N 116.214 0.000 1 125 1171 15 LEU H H 7.465 0.000 1 126 1171 15 LEU HA H 3.861 0.000 1 127 1171 15 LEU HB2 H 1.952 0.000 2 128 1171 15 LEU HB3 H 1.130 0.000 2 129 1171 15 LEU HD1 H 0.815 0.000 2 130 1171 15 LEU CA C 58.222 0.000 1 131 1171 15 LEU CB C 40.963 0.000 1 132 1171 15 LEU CD1 C 25.176 0.000 2 133 1171 15 LEU N N 122.379 0.000 1 134 1172 16 LEU C C 178.008 0.000 1 135 1173 17 ARG H H 8.455 0.000 1 136 1173 17 ARG HA H 3.693 0.000 1 137 1173 17 ARG HB2 H 2.136 0.000 2 138 1173 17 ARG HB3 H 1.810 0.000 2 139 1173 17 ARG HG2 H 1.376 0.000 2 140 1173 17 ARG HG3 H 1.342 0.000 2 141 1173 17 ARG HD2 H 3.094 0.000 2 142 1173 17 ARG HD3 H 3.040 0.000 2 143 1173 17 ARG C C 179.433 0.000 1 144 1173 17 ARG CA C 60.100 0.000 1 145 1173 17 ARG CB C 29.375 0.000 1 146 1173 17 ARG CG C 27.369 0.000 1 147 1173 17 ARG CD C 43.123 0.000 1 148 1173 17 ARG N N 117.999 0.000 1 149 1174 18 GLU H H 8.219 0.000 1 150 1174 18 GLU HA H 3.798 0.000 1 151 1174 18 GLU HB2 H 2.130 0.000 2 152 1174 18 GLU HB3 H 1.993 0.000 2 153 1174 18 GLU HG2 H 2.263 0.000 2 154 1174 18 GLU HG3 H 2.130 0.000 2 155 1174 18 GLU C C 178.027 0.000 1 156 1174 18 GLU CA C 59.788 0.000 1 157 1174 18 GLU CB C 29.098 0.000 1 158 1174 18 GLU CG C 36.173 0.000 1 159 1174 18 GLU N N 120.763 0.000 1 160 1175 19 TRP H H 8.058 0.000 1 161 1175 19 TRP HA H 4.517 0.000 1 162 1175 19 TRP HB2 H 3.015 0.000 2 163 1175 19 TRP HB3 H 2.981 0.000 2 164 1175 19 TRP HE1 H 9.792 0.000 1 165 1175 19 TRP CA C 56.695 0.000 1 166 1175 19 TRP CB C 30.023 0.000 1 167 1175 19 TRP N N 122.460 0.000 1 168 1175 19 TRP NE1 N 128.574 0.000 1 169 1176 20 ILE HA H 2.525 0.000 1 170 1176 20 ILE HB H 0.931 0.000 1 171 1176 20 ILE HG12 H 1.091 0.000 2 172 1176 20 ILE HG2 H -0.412 0.000 1 173 1176 20 ILE HD1 H 0.359 0.000 1 174 1176 20 ILE C C 176.971 0.000 1 175 1176 20 ILE CA C 62.967 0.000 1 176 1176 20 ILE CB C 38.226 0.000 1 177 1176 20 ILE CG1 C 28.995 0.000 1 178 1176 20 ILE CG2 C 16.663 0.000 1 179 1176 20 ILE CD1 C 16.001 0.000 1 180 1177 21 THR H H 7.514 0.000 1 181 1177 21 THR HA H 4.003 0.000 1 182 1177 21 THR HB H 4.168 0.000 1 183 1177 21 THR HG2 H 1.053 0.000 1 184 1177 21 THR C C 176.217 0.000 1 185 1177 21 THR CA C 63.524 0.000 1 186 1177 21 THR CB C 70.230 0.000 1 187 1177 21 THR CG2 C 21.148 0.000 1 188 1177 21 THR N N 105.891 0.000 1 189 1178 22 THR H H 7.438 0.000 1 190 1178 22 THR HA H 4.440 0.000 1 191 1178 22 THR HB H 4.224 0.000 1 192 1178 22 THR HG2 H 1.178 0.000 1 193 1178 22 THR C C 174.437 0.000 1 194 1178 22 THR CA C 63.196 0.000 1 195 1178 22 THR CB C 70.926 0.000 1 196 1178 22 THR CG2 C 21.021 0.000 1 197 1178 22 THR N N 111.272 0.000 1 198 1179 23 ILE H H 7.852 0.000 1 199 1179 23 ILE CA C 59.582 0.000 1 200 1179 23 ILE N N 124.070 0.000 1 201 1182 26 PRO HA H 4.067 0.000 1 202 1182 26 PRO HB2 H 1.270 0.000 2 203 1182 26 PRO HB3 H 1.270 0.000 2 204 1182 26 PRO HG2 H 1.010 0.000 2 205 1182 26 PRO HG3 H 1.010 0.000 2 206 1182 26 PRO HD2 H 2.954 0.000 2 207 1182 26 PRO HD3 H 1.938 0.000 2 208 1182 26 PRO C C 176.609 0.000 1 209 1182 26 PRO CA C 62.168 0.000 1 210 1182 26 PRO CB C 31.700 0.000 1 211 1182 26 PRO CG C 25.527 0.000 1 212 1182 26 PRO CD C 49.651 0.000 1 213 1183 27 MET H H 9.146 0.000 1 214 1183 27 MET HA H 4.438 0.000 1 215 1183 27 MET HB2 H 2.158 0.000 2 216 1183 27 MET HB3 H 2.158 0.000 2 217 1183 27 MET HG2 H 2.722 0.000 2 218 1183 27 MET HG3 H 2.518 0.000 2 219 1183 27 MET HE H 1.989 0.000 1 220 1183 27 MET C C 177.959 0.000 1 221 1183 27 MET CA C 54.298 0.000 1 222 1183 27 MET CB C 33.641 0.000 1 223 1183 27 MET CG C 32.293 0.000 1 224 1183 27 MET CE C 17.322 0.000 1 225 1183 27 MET N N 121.415 0.000 1 226 1184 28 GLU H H 8.990 0.000 1 227 1184 28 GLU HA H 3.659 0.000 1 228 1184 28 GLU HB2 H 1.921 0.000 2 229 1184 28 GLU HB3 H 1.801 0.000 2 230 1184 28 GLU HG2 H 1.995 0.000 2 231 1184 28 GLU HG3 H 1.961 0.000 2 232 1184 28 GLU C C 177.939 0.000 1 233 1184 28 GLU CA C 60.496 0.000 1 234 1184 28 GLU CB C 29.691 0.000 1 235 1184 28 GLU CG C 36.253 0.000 1 236 1184 28 GLU N N 125.744 0.000 1 237 1185 29 GLU H H 9.326 0.000 1 238 1185 29 GLU HA H 3.878 0.000 1 239 1185 29 GLU HB2 H 1.883 0.000 2 240 1185 29 GLU HB3 H 1.846 0.000 2 241 1185 29 GLU C C 178.712 0.000 1 242 1185 29 GLU CA C 59.890 0.000 1 243 1185 29 GLU CB C 29.108 0.000 1 244 1185 29 GLU N N 115.669 0.000 1 245 1186 30 ASP H H 7.050 0.000 1 246 1186 30 ASP HA H 4.421 0.000 1 247 1186 30 ASP HB2 H 2.822 0.000 2 248 1186 30 ASP HB3 H 2.433 0.000 2 249 1186 30 ASP C C 177.470 0.000 1 250 1186 30 ASP CA C 56.150 0.000 1 251 1186 30 ASP CB C 41.142 0.000 1 252 1186 30 ASP N N 119.324 0.000 1 253 1187 31 ILE H H 7.712 0.000 1 254 1187 31 ILE HA H 3.716 0.000 1 255 1187 31 ILE HB H 1.921 0.000 1 256 1187 31 ILE HG12 H 1.001 0.000 2 257 1187 31 ILE HG13 H 1.001 0.000 2 258 1187 31 ILE HG2 H 0.931 0.000 1 259 1187 31 ILE HD1 H 0.535 0.000 1 260 1187 31 ILE C C 179.042 0.000 1 261 1187 31 ILE CA C 65.969 0.000 1 262 1187 31 ILE CB C 37.730 0.000 1 263 1187 31 ILE CG1 C 29.398 0.000 1 264 1187 31 ILE CG2 C 18.265 0.000 1 265 1187 31 ILE CD1 C 12.976 0.000 1 266 1187 31 ILE N N 120.766 0.000 1 267 1188 32 LEU H H 8.612 0.000 1 268 1188 32 LEU HA H 4.022 0.000 1 269 1188 32 LEU HB2 H 1.763 0.000 2 270 1188 32 LEU HB3 H 1.410 0.000 2 271 1188 32 LEU HD1 H 0.808 0.000 2 272 1188 32 LEU HD2 H 0.884 0.000 2 273 1188 32 LEU C C 179.959 0.000 1 274 1188 32 LEU CA C 58.054 0.000 1 275 1188 32 LEU CB C 40.898 0.000 1 276 1188 32 LEU CD1 C 25.087 0.000 2 277 1188 32 LEU CD2 C 22.157 0.000 2 278 1188 32 LEU N N 117.835 0.000 1 279 1189 33 GLN H H 7.558 0.000 1 280 1189 33 GLN HA H 4.096 0.000 1 281 1189 33 GLN HB2 H 2.033 0.000 2 282 1189 33 GLN HB3 H 2.033 0.000 2 283 1189 33 GLN HG2 H 2.564 0.000 2 284 1189 33 GLN HG3 H 2.253 0.000 2 285 1189 33 GLN HE21 H 6.763 0.000 2 286 1189 33 GLN HE22 H 7.204 0.000 2 287 1189 33 GLN C C 179.040 0.000 1 288 1189 33 GLN CA C 59.494 0.000 1 289 1189 33 GLN CB C 28.811 0.000 1 290 1189 33 GLN CG C 34.695 0.000 1 291 1189 33 GLN N N 119.917 0.000 1 292 1189 33 GLN NE2 N 112.226 0.000 1 293 1190 34 VAL H H 7.644 0.000 1 294 1190 34 VAL HA H 3.621 0.000 1 295 1190 34 VAL HB H 2.399 0.000 1 296 1190 34 VAL HG1 H 0.884 0.000 2 297 1190 34 VAL HG2 H 1.025 0.000 2 298 1190 34 VAL C C 178.345 0.000 1 299 1190 34 VAL CA C 67.214 0.000 1 300 1190 34 VAL CB C 31.360 0.000 1 301 1190 34 VAL CG1 C 23.780 0.000 2 302 1190 34 VAL CG2 C 22.797 0.000 2 303 1190 34 VAL N N 122.248 0.000 1 304 1191 35 VAL H H 8.159 0.000 1 305 1191 35 VAL HA H 3.288 0.000 1 306 1191 35 VAL HB H 2.223 0.000 1 307 1191 35 VAL HG1 H 0.728 0.000 2 308 1191 35 VAL HG2 H 1.082 0.000 2 309 1191 35 VAL C C 177.514 0.000 1 310 1191 35 VAL CA C 68.294 0.000 1 311 1191 35 VAL CB C 31.565 0.000 1 312 1191 35 VAL CG1 C 21.592 0.000 2 313 1191 35 VAL CG2 C 24.635 0.000 2 314 1191 35 VAL N N 120.626 0.000 1 315 1192 36 LYS H H 8.153 0.000 1 316 1192 36 LYS HA H 4.090 0.000 1 317 1192 36 LYS HB2 H 1.906 0.000 2 318 1192 36 LYS HB3 H 1.813 0.000 2 319 1192 36 LYS HG2 H 1.346 0.000 2 320 1192 36 LYS HG3 H 1.346 0.000 2 321 1192 36 LYS HD2 H 1.664 0.000 2 322 1192 36 LYS HD3 H 1.492 0.000 2 323 1192 36 LYS HE3 H 2.904 0.000 2 324 1192 36 LYS C C 177.949 0.000 1 325 1192 36 LYS CA C 58.628 0.000 1 326 1192 36 LYS CB C 31.594 0.000 1 327 1192 36 LYS CG C 24.802 0.000 1 328 1192 36 LYS CD C 28.340 0.000 1 329 1192 36 LYS CE C 42.302 0.000 1 330 1192 36 LYS N N 120.485 0.000 1 331 1193 37 TYR H H 7.753 0.000 1 332 1193 37 TYR HA H 4.341 0.000 1 333 1193 37 TYR HB2 H 3.108 0.000 2 334 1193 37 TYR HB3 H 3.108 0.000 2 335 1193 37 TYR HD1 H 6.827 0.000 3 336 1193 37 TYR HD2 H 6.827 0.000 3 337 1193 37 TYR HE1 H 6.447 0.000 3 338 1193 37 TYR HE2 H 6.447 0.000 3 339 1193 37 TYR C C 177.294 0.000 1 340 1193 37 TYR CA C 61.351 0.000 1 341 1193 37 TYR CB C 38.657 0.000 1 342 1193 37 TYR CD2 C 132.806 0.000 3 343 1193 37 TYR CE2 C 117.559 0.000 3 344 1193 37 TYR N N 120.021 0.000 1 345 1194 38 CYS H H 7.925 0.000 1 346 1194 38 CYS HA H 3.634 0.000 1 347 1194 38 CYS HB2 H 3.122 0.000 2 348 1194 38 CYS HB3 H 2.278 0.000 2 349 1194 38 CYS C C 176.878 0.000 1 350 1194 38 CYS CA C 64.488 0.000 1 351 1194 38 CYS CB C 27.989 0.000 1 352 1194 38 CYS N N 115.076 0.000 1 353 1195 39 THR H H 8.833 0.000 1 354 1195 39 THR HA H 3.800 0.000 1 355 1195 39 THR HB H 4.404 0.000 1 356 1195 39 THR HG2 H 1.082 0.000 1 357 1195 39 THR C C 177.208 0.000 1 358 1195 39 THR CA C 66.756 0.000 1 359 1195 39 THR CB C 67.753 0.000 1 360 1195 39 THR CG2 C 21.246 0.000 1 361 1195 39 THR N N 113.134 0.000 1 362 1196 40 ASP H H 8.792 0.000 1 363 1196 40 ASP HA H 4.282 0.000 1 364 1196 40 ASP HB2 H 2.955 0.000 2 365 1196 40 ASP HB3 H 2.414 0.000 2 366 1196 40 ASP CA C 57.840 0.000 1 367 1196 40 ASP CB C 38.991 0.000 1 368 1196 40 ASP N N 126.987 0.000 1 369 1197 41 LEU C C 179.495 0.000 1 370 1198 42 ILE H H 7.410 0.000 1 371 1198 42 ILE HA H 3.334 0.000 1 372 1198 42 ILE HB H 1.992 0.000 1 373 1198 42 ILE HG12 H 1.907 0.000 2 374 1198 42 ILE HG13 H 0.578 0.000 2 375 1198 42 ILE HG2 H 0.789 0.000 1 376 1198 42 ILE HD1 H 0.682 0.000 1 377 1198 42 ILE C C 179.837 0.000 1 378 1198 42 ILE CA C 66.338 0.000 1 379 1198 42 ILE CB C 37.642 0.000 1 380 1198 42 ILE CG1 C 30.404 0.000 1 381 1198 42 ILE CG2 C 17.701 0.000 1 382 1198 42 ILE CD1 C 14.980 0.000 1 383 1198 42 ILE N N 118.137 0.000 1 384 1199 43 GLU H H 8.266 0.000 1 385 1199 43 GLU HA H 3.882 0.000 1 386 1199 43 GLU HB2 H 2.102 0.000 2 387 1199 43 GLU HB3 H 2.058 0.000 2 388 1199 43 GLU HG2 H 2.322 0.000 2 389 1199 43 GLU HG3 H 2.129 0.000 2 390 1199 43 GLU C C 178.419 0.000 1 391 1199 43 GLU CA C 59.840 0.000 1 392 1199 43 GLU CB C 29.079 0.000 1 393 1199 43 GLU CG C 36.212 0.000 1 394 1199 43 GLU N N 123.701 0.000 1 395 1200 44 GLU H H 7.917 0.000 1 396 1200 44 GLU HA H 4.033 0.000 1 397 1200 44 GLU HB2 H 1.941 0.000 2 398 1200 44 GLU HB3 H 2.005 0.000 2 399 1200 44 GLU HG2 H 2.316 0.000 2 400 1200 44 GLU HG3 H 2.213 0.000 2 401 1200 44 GLU C C 175.251 0.000 1 402 1200 44 GLU CA C 56.366 0.000 1 403 1200 44 GLU CB C 29.407 0.000 1 404 1200 44 GLU CG C 36.009 0.000 1 405 1200 44 GLU N N 116.533 0.000 1 406 1201 45 LYS H H 7.972 0.000 1 407 1201 45 LYS HA H 3.578 0.000 1 408 1201 45 LYS HB2 H 1.996 0.000 2 409 1201 45 LYS HB3 H 1.951 0.000 2 410 1201 45 LYS HG2 H 1.308 0.000 2 411 1201 45 LYS HG3 H 1.133 0.000 2 412 1201 45 LYS HD2 H 1.593 0.000 2 413 1201 45 LYS HD3 H 1.505 0.000 2 414 1201 45 LYS HE2 H 2.766 0.000 2 415 1201 45 LYS HE3 H 2.766 0.000 2 416 1201 45 LYS C C 175.508 0.000 1 417 1201 45 LYS CA C 57.515 0.000 1 418 1201 45 LYS CB C 29.691 0.000 1 419 1201 45 LYS CG C 25.813 0.000 1 420 1201 45 LYS CD C 29.316 0.000 1 421 1201 45 LYS CE C 42.001 0.000 1 422 1201 45 LYS N N 117.218 0.000 1 423 1202 46 ASP H H 8.464 0.000 1 424 1202 46 ASP HA H 4.955 0.000 1 425 1202 46 ASP HB2 H 2.909 0.000 2 426 1202 46 ASP HB3 H 2.062 0.000 2 427 1202 46 ASP C C 176.107 0.000 1 428 1202 46 ASP CA C 51.445 0.000 1 429 1202 46 ASP CB C 38.947 0.000 1 430 1202 46 ASP N N 122.567 0.000 1 431 1203 47 LEU H H 7.435 0.000 1 432 1203 47 LEU HA H 3.786 0.000 1 433 1203 47 LEU HB2 H 1.544 0.000 2 434 1203 47 LEU HB3 H 1.290 0.000 2 435 1203 47 LEU HG H 1.321 0.000 1 436 1203 47 LEU HD1 H 0.470 0.000 2 437 1203 47 LEU HD2 H 0.494 0.000 2 438 1203 47 LEU C C 179.690 0.000 1 439 1203 47 LEU CA C 56.694 0.000 1 440 1203 47 LEU CB C 39.974 0.000 1 441 1203 47 LEU CG C 27.526 0.000 1 442 1203 47 LEU CD1 C 24.544 0.000 2 443 1203 47 LEU CD2 C 22.345 0.000 2 444 1203 47 LEU N N 119.284 0.000 1 445 1204 48 GLU H H 8.504 0.000 1 446 1204 48 GLU HA H 3.961 0.000 1 447 1204 48 GLU HB2 H 1.836 0.000 2 448 1204 48 GLU HB3 H 1.929 0.000 2 449 1204 48 GLU HG2 H 2.143 0.000 2 450 1204 48 GLU HG3 H 2.011 0.000 2 451 1204 48 GLU C C 178.614 0.000 1 452 1204 48 GLU CA C 59.554 0.000 1 453 1204 48 GLU CB C 29.311 0.000 1 454 1204 48 GLU CG C 36.343 0.000 1 455 1204 48 GLU N N 121.514 0.000 1 456 1205 49 LYS H H 7.372 0.000 1 457 1205 49 LYS HA H 3.604 0.000 1 458 1205 49 LYS HB2 H 1.577 0.000 2 459 1205 49 LYS HB3 H 1.339 0.000 2 460 1205 49 LYS HG2 H 1.063 0.000 2 461 1205 49 LYS HG3 H 1.063 0.000 2 462 1205 49 LYS HD2 H 1.533 0.000 2 463 1205 49 LYS HD3 H 1.350 0.000 2 464 1205 49 LYS HE2 H 2.809 0.000 2 465 1205 49 LYS HE3 H 2.753 0.000 2 466 1205 49 LYS C C 177.856 0.000 1 467 1205 49 LYS CA C 59.468 0.000 1 468 1205 49 LYS CB C 32.255 0.000 1 469 1205 49 LYS CG C 25.211 0.000 1 470 1205 49 LYS CD C 28.662 0.000 1 471 1205 49 LYS CE C 41.430 0.000 1 472 1205 49 LYS N N 119.529 0.000 1 473 1206 50 LEU H H 7.433 0.000 1 474 1206 50 LEU HA H 3.835 0.000 1 475 1206 50 LEU HB2 H 1.833 0.000 2 476 1206 50 LEU HB3 H 1.172 0.000 2 477 1206 50 LEU HD1 H 0.437 0.000 2 478 1206 50 LEU HD2 H 0.833 0.000 2 479 1206 50 LEU C C 177.147 0.000 1 480 1206 50 LEU CA C 57.958 0.000 1 481 1206 50 LEU CB C 41.276 0.000 1 482 1206 50 LEU CD1 C 25.195 0.000 2 483 1206 50 LEU CD2 C 23.184 0.000 2 484 1206 50 LEU N N 118.019 0.000 1 485 1207 51 ASP H H 7.682 0.000 1 486 1207 51 ASP HA H 4.169 0.000 1 487 1207 51 ASP HB2 H 2.580 0.000 2 488 1207 51 ASP HB3 H 2.580 0.000 2 489 1207 51 ASP C C 178.577 0.000 1 490 1207 51 ASP CA C 57.938 0.000 1 491 1207 51 ASP CB C 41.942 0.000 1 492 1207 51 ASP N N 117.422 0.000 1 493 1208 52 LEU H H 7.427 0.000 1 494 1208 52 LEU HA H 3.889 0.000 1 495 1208 52 LEU HB2 H 1.631 0.000 2 496 1208 52 LEU HB3 H 1.053 0.000 2 497 1208 52 LEU HG H 1.661 0.000 1 498 1208 52 LEU HD1 H 0.490 0.000 2 499 1208 52 LEU HD2 H 0.637 0.000 2 500 1208 52 LEU C C 180.693 0.000 1 501 1208 52 LEU CA C 58.119 0.000 1 502 1208 52 LEU CB C 42.179 0.000 1 503 1208 52 LEU CG C 26.173 0.000 1 504 1208 52 LEU CD1 C 25.317 0.000 2 505 1208 52 LEU CD2 C 22.476 0.000 2 506 1208 52 LEU N N 116.171 0.000 1 507 1209 53 VAL H H 8.752 0.000 1 508 1209 53 VAL HA H 3.921 0.000 1 509 1209 53 VAL HB H 2.369 0.000 1 510 1209 53 VAL HG1 H 1.169 0.000 2 511 1209 53 VAL HG2 H 1.169 0.000 2 512 1209 53 VAL C C 177.452 0.000 1 513 1209 53 VAL CA C 66.757 0.000 1 514 1209 53 VAL CB C 31.870 0.000 1 515 1209 53 VAL CG1 C 23.994 0.000 2 516 1209 53 VAL CG2 C 21.149 0.000 2 517 1209 53 VAL N N 121.113 0.000 1 518 1210 54 ILE H H 8.634 0.000 1 519 1210 54 ILE HA H 3.899 0.000 1 520 1210 54 ILE HB H 2.200 0.000 1 521 1210 54 ILE HG12 H 1.509 0.000 2 522 1210 54 ILE HG13 H 1.399 0.000 2 523 1210 54 ILE HG2 H 0.946 0.000 1 524 1210 54 ILE HD1 H 0.680 0.000 1 525 1210 54 ILE C C 178.137 0.000 1 526 1210 54 ILE CA C 64.023 0.000 1 527 1210 54 ILE CB C 35.487 0.000 1 528 1210 54 ILE CG1 C 27.754 0.000 1 529 1210 54 ILE CG2 C 17.508 0.000 1 530 1210 54 ILE CD1 C 10.202 0.000 1 531 1210 54 ILE N N 123.029 0.000 1 532 1211 55 LYS H H 8.203 0.000 1 533 1211 55 LYS HA H 3.777 0.000 1 534 1211 55 LYS HB2 H 1.821 0.000 2 535 1211 55 LYS HB3 H 1.749 0.000 2 536 1211 55 LYS HG2 H 1.591 0.000 2 537 1211 55 LYS HG3 H 1.324 0.000 2 538 1211 55 LYS HE2 H 2.851 0.000 2 539 1211 55 LYS HE3 H 2.851 0.000 2 540 1211 55 LYS C C 179.226 0.000 1 541 1211 55 LYS CA C 60.490 0.000 1 542 1211 55 LYS CB C 32.675 0.000 1 543 1211 55 LYS CG C 26.844 0.000 1 544 1211 55 LYS CD C 29.199 0.000 1 545 1211 55 LYS CE C 42.007 0.000 1 546 1211 55 LYS N N 118.682 0.000 1 547 1212 56 TYR H H 8.084 0.000 1 548 1212 56 TYR HA H 4.202 0.000 1 549 1212 56 TYR HB2 H 3.283 0.000 2 550 1212 56 TYR HB3 H 2.965 0.000 2 551 1212 56 TYR HD1 H 6.867 0.000 3 552 1212 56 TYR HD2 H 6.867 0.000 3 553 1212 56 TYR HE1 H 6.696 0.000 3 554 1212 56 TYR HE2 H 6.696 0.000 3 555 1212 56 TYR C C 177.183 0.000 1 556 1212 56 TYR CA C 61.890 0.000 1 557 1212 56 TYR CB C 38.858 0.000 1 558 1212 56 TYR CD2 C 132.053 0.000 3 559 1212 56 TYR CE2 C 119.203 0.000 3 560 1212 56 TYR N N 121.120 0.000 1 561 1213 57 MET H H 8.545 0.000 1 562 1213 57 MET HA H 3.572 0.000 1 563 1213 57 MET HB2 H 3.114 0.000 2 564 1213 57 MET HB3 H 2.548 0.000 2 565 1213 57 MET HG3 H 2.155 0.000 2 566 1213 57 MET HE H 1.979 0.000 1 567 1213 57 MET C C 176.990 0.000 1 568 1213 57 MET CA C 60.779 0.000 1 569 1213 57 MET CB C 33.550 0.000 1 570 1213 57 MET CE C 16.850 0.000 1 571 1213 57 MET N N 116.410 0.000 1 572 1214 58 LYS H H 8.521 0.000 1 573 1214 58 LYS HA H 2.490 0.000 1 574 1214 58 LYS HB2 H 1.496 0.000 2 575 1214 58 LYS HB3 H 1.496 0.000 2 576 1214 58 LYS HG2 H 0.763 0.000 2 577 1214 58 LYS HG3 H 0.763 0.000 2 578 1214 58 LYS HD2 H 1.344 0.000 2 579 1214 58 LYS HD3 H 1.344 0.000 2 580 1214 58 LYS HE2 H 2.790 0.000 2 581 1214 58 LYS HE3 H 2.744 0.000 2 582 1214 58 LYS C C 177.616 0.000 1 583 1214 58 LYS CA C 60.108 0.000 1 584 1214 58 LYS CB C 32.719 0.000 1 585 1214 58 LYS CG C 24.409 0.000 1 586 1214 58 LYS CD C 29.604 0.000 1 587 1214 58 LYS N N 119.894 0.000 1 588 1215 59 ARG H H 7.004 0.000 1 589 1215 59 ARG HA H 3.741 0.000 1 590 1215 59 ARG HB2 H 1.655 0.000 2 591 1215 59 ARG HB3 H 1.655 0.000 2 592 1215 59 ARG HG2 H 1.447 0.000 2 593 1215 59 ARG HG3 H 1.298 0.000 2 594 1215 59 ARG HD2 H 3.020 0.000 2 595 1215 59 ARG HD3 H 2.961 0.000 2 596 1215 59 ARG C C 178.529 0.000 1 597 1215 59 ARG CA C 58.555 0.000 1 598 1215 59 ARG CB C 29.562 0.000 1 599 1215 59 ARG CG C 26.875 0.000 1 600 1215 59 ARG CD C 43.439 0.000 1 601 1215 59 ARG N N 115.909 0.000 1 602 1216 60 LEU H H 7.149 0.000 1 603 1216 60 LEU HA H 3.720 0.000 1 604 1216 60 LEU HB2 H 1.220 0.000 2 605 1216 60 LEU HB3 H 0.899 0.000 2 606 1216 60 LEU HG H 1.037 0.000 1 607 1216 60 LEU HD1 H 0.257 0.000 2 608 1216 60 LEU HD2 H 0.372 0.000 2 609 1216 60 LEU C C 179.164 0.000 1 610 1216 60 LEU CA C 57.139 0.000 1 611 1216 60 LEU CB C 42.975 0.000 1 612 1216 60 LEU CG C 26.926 0.000 1 613 1216 60 LEU CD1 C 25.619 0.000 2 614 1216 60 LEU CD2 C 22.473 0.000 2 615 1216 60 LEU N N 116.147 0.000 1 616 1217 61 MET H H 8.715 0.000 1 617 1217 61 MET HA H 3.656 0.000 1 618 1217 61 MET HB2 H 2.222 0.000 2 619 1217 61 MET HB3 H 1.807 0.000 2 620 1217 61 MET HG2 H 2.704 0.000 2 621 1217 61 MET HG3 H 2.224 0.000 2 622 1217 61 MET HE H 1.963 0.000 1 623 1217 61 MET C C 176.990 0.000 1 624 1217 61 MET CA C 59.563 0.000 1 625 1217 61 MET CB C 32.143 0.000 1 626 1217 61 MET CG C 35.214 0.000 1 627 1217 61 MET CE C 16.970 0.000 1 628 1217 61 MET N N 115.930 0.000 1 629 1218 62 GLN H H 7.394 0.000 1 630 1218 62 GLN HA H 4.294 0.000 1 631 1218 62 GLN HB2 H 1.850 0.000 2 632 1218 62 GLN HB3 H 1.807 0.000 2 633 1218 62 GLN HG2 H 2.111 0.000 2 634 1218 62 GLN HG3 H 2.111 0.000 2 635 1218 62 GLN HE21 H 6.831 0.000 2 636 1218 62 GLN HE22 H 7.628 0.000 2 637 1218 62 GLN C C 176.572 0.000 1 638 1218 62 GLN CA C 56.655 0.000 1 639 1218 62 GLN CB C 27.356 0.000 1 640 1218 62 GLN CG C 34.154 0.000 1 641 1218 62 GLN N N 113.868 0.000 1 642 1218 62 GLN NE2 N 112.713 0.000 1 643 1219 63 GLN H H 7.177 0.000 1 644 1219 63 GLN HA H 4.084 0.000 1 645 1219 63 GLN HB2 H 1.950 0.000 2 646 1219 63 GLN HB3 H 1.950 0.000 2 647 1219 63 GLN HG2 H 2.237 0.000 2 648 1219 63 GLN HG3 H 2.237 0.000 2 649 1219 63 GLN HE21 H 6.614 0.000 2 650 1219 63 GLN HE22 H 7.299 0.000 2 651 1219 63 GLN C C 176.080 0.000 1 652 1219 63 GLN CA C 56.773 0.000 1 653 1219 63 GLN CB C 29.054 0.000 1 654 1219 63 GLN CG C 33.742 0.000 1 655 1219 63 GLN N N 117.466 0.000 1 656 1219 63 GLN NE2 N 111.338 0.000 1 657 1220 64 SER H H 7.456 0.000 1 658 1220 64 SER HA H 4.368 0.000 1 659 1220 64 SER HB2 H 3.751 0.000 2 660 1220 64 SER HB3 H 3.689 0.000 2 661 1220 64 SER C C 175.202 0.000 1 662 1220 64 SER CA C 58.243 0.000 1 663 1220 64 SER CB C 63.744 0.000 1 664 1220 64 SER N N 113.492 0.000 1 665 1221 65 VAL H H 8.215 0.000 1 666 1221 65 VAL HA H 4.033 0.000 1 667 1221 65 VAL HB H 2.099 0.000 1 668 1221 65 VAL HG1 H 0.826 0.000 2 669 1221 65 VAL HG2 H 0.854 0.000 2 670 1221 65 VAL C C 176.315 0.000 1 671 1221 65 VAL CA C 63.038 0.000 1 672 1221 65 VAL CB C 31.810 0.000 1 673 1221 65 VAL CG1 C 19.849 0.000 2 674 1221 65 VAL CG2 C 21.049 0.000 2 675 1221 65 VAL N N 121.617 0.000 1 676 1222 66 GLU H H 8.382 0.000 1 677 1222 66 GLU HA H 4.315 0.000 1 678 1222 66 GLU HB2 H 2.054 0.000 2 679 1222 66 GLU HB3 H 1.944 0.000 2 680 1222 66 GLU HG2 H 2.178 0.000 2 681 1222 66 GLU HG3 H 2.234 0.000 2 682 1222 66 GLU C C 175.415 0.000 1 683 1222 66 GLU CA C 56.176 0.000 1 684 1222 66 GLU CB C 29.202 0.000 1 685 1222 66 GLU CG C 35.733 0.000 1 686 1222 66 GLU N N 120.404 0.000 1 687 1223 67 SER H H 8.315 0.000 1 688 1223 67 SER HA H 4.428 0.000 1 689 1223 67 SER HB2 H 3.802 0.000 2 690 1223 67 SER HB3 H 3.758 0.000 2 691 1223 67 SER CA C 59.271 0.000 1 692 1223 67 SER CB C 63.996 0.000 1 693 1223 67 SER N N 119.652 0.000 1 694 1224 68 VAL H H 8.628 0.000 1 695 1224 68 VAL HA H 3.936 0.000 1 696 1224 68 VAL HB H 1.881 0.000 1 697 1224 68 VAL HG1 H 0.614 0.000 2 698 1224 68 VAL HG2 H 0.675 0.000 2 699 1224 68 VAL C C 177.577 0.000 1 700 1224 68 VAL CA C 64.820 0.000 1 701 1224 68 VAL CB C 31.060 0.000 1 702 1224 68 VAL CG1 C 20.682 0.000 2 703 1224 68 VAL CG2 C 20.709 0.000 2 704 1224 68 VAL N N 122.223 0.000 1 705 1225 69 TRP H H 7.717 0.000 1 706 1225 69 TRP HA H 4.405 0.000 1 707 1225 69 TRP HB2 H 3.190 0.000 2 708 1225 69 TRP HB3 H 3.084 0.000 2 709 1225 69 TRP HD1 H 7.165 0.000 1 710 1225 69 TRP HE1 H 10.593 0.000 1 711 1225 69 TRP HE3 H 7.339 0.000 1 712 1225 69 TRP C C 177.587 0.000 1 713 1225 69 TRP CA C 60.022 0.000 1 714 1225 69 TRP CB C 29.418 0.000 1 715 1225 69 TRP CD1 C 126.957 0.000 1 716 1225 69 TRP CE3 C 118.756 0.000 1 717 1225 69 TRP N N 121.478 0.000 1 718 1225 69 TRP NE1 N 129.295 0.000 1 719 1226 70 ASN H H 7.708 0.000 1 720 1226 70 ASN HA H 4.256 0.000 1 721 1226 70 ASN HB2 H 2.870 0.000 2 722 1226 70 ASN HB3 H 2.870 0.000 2 723 1226 70 ASN HD21 H 6.845 0.000 2 724 1226 70 ASN HD22 H 7.549 0.000 2 725 1226 70 ASN C C 177.624 0.000 1 726 1226 70 ASN CA C 57.543 0.000 1 727 1226 70 ASN CB C 38.921 0.000 1 728 1226 70 ASN N N 118.762 0.000 1 729 1226 70 ASN ND2 N 113.100 0.000 1 730 1227 71 MET H H 7.674 0.000 1 731 1227 71 MET HA H 4.254 0.000 1 732 1227 71 MET HB2 H 2.045 0.000 2 733 1227 71 MET HB3 H 2.045 0.000 2 734 1227 71 MET HG2 H 2.621 0.000 2 735 1227 71 MET HG3 H 2.521 0.000 2 736 1227 71 MET C C 178.969 0.000 1 737 1227 71 MET CA C 58.507 0.000 1 738 1227 71 MET CB C 32.378 0.000 1 739 1227 71 MET CG C 32.226 0.000 1 740 1227 71 MET N N 117.090 0.000 1 741 1228 72 ALA H H 7.849 0.000 1 742 1228 72 ALA HA H 4.147 0.000 1 743 1228 72 ALA HB H 1.414 0.000 1 744 1228 72 ALA C C 178.944 0.000 1 745 1228 72 ALA CA C 55.406 0.000 1 746 1228 72 ALA CB C 17.546 0.000 1 747 1228 72 ALA N N 123.606 0.000 1 748 1229 73 PHE H H 8.322 0.000 1 749 1229 73 PHE HA H 4.076 0.000 1 750 1229 73 PHE HB2 H 3.433 0.000 2 751 1229 73 PHE HB3 H 3.029 0.000 2 752 1229 73 PHE HD1 H 7.299 0.000 3 753 1229 73 PHE HD2 H 7.299 0.000 3 754 1229 73 PHE C C 176.129 0.000 1 755 1229 73 PHE CA C 63.011 0.000 1 756 1229 73 PHE CB C 38.115 0.000 1 757 1229 73 PHE CD1 C 131.218 0.000 3 758 1229 73 PHE N N 117.758 0.000 1 759 1230 74 ASP H H 7.505 0.000 1 760 1230 74 ASP HA H 4.113 0.000 1 761 1230 74 ASP HB2 H 2.665 0.000 2 762 1230 74 ASP HB3 H 2.601 0.000 2 763 1230 74 ASP C C 177.088 0.000 1 764 1230 74 ASP CA C 57.747 0.000 1 765 1230 74 ASP CB C 40.111 0.000 1 766 1230 74 ASP N N 117.816 0.000 1 767 1231 75 PHE H H 7.797 0.000 1 768 1231 75 PHE HA H 4.190 0.000 1 769 1231 75 PHE HB2 H 3.234 0.000 2 770 1231 75 PHE HB3 H 3.120 0.000 2 771 1231 75 PHE HD1 H 7.017 0.000 3 772 1231 75 PHE HD2 H 7.017 0.000 3 773 1231 75 PHE C C 178.626 0.000 1 774 1231 75 PHE CA C 61.273 0.000 1 775 1231 75 PHE CB C 39.333 0.000 1 776 1231 75 PHE CD2 C 132.282 0.000 3 777 1231 75 PHE N N 120.021 0.000 1 778 1232 76 ILE H H 8.550 0.000 1 779 1232 76 ILE HA H 3.267 0.000 1 780 1232 76 ILE HB H 1.791 0.000 1 781 1232 76 ILE HG12 H 2.053 0.000 2 782 1232 76 ILE HG13 H 0.916 0.000 2 783 1232 76 ILE HG2 H 0.680 0.000 1 784 1232 76 ILE HD1 H 1.060 0.000 1 785 1232 76 ILE C C 177.088 0.000 1 786 1232 76 ILE CA C 66.092 0.000 1 787 1232 76 ILE CB C 38.468 0.000 1 788 1232 76 ILE CG1 C 30.108 0.000 1 789 1232 76 ILE CG2 C 16.817 0.000 1 790 1232 76 ILE CD1 C 14.523 0.000 1 791 1232 76 ILE N N 122.819 0.000 1 792 1233 77 LEU H H 8.576 0.000 1 793 1233 77 LEU HA H 3.598 0.000 1 794 1233 77 LEU HB2 H 1.417 0.000 2 795 1233 77 LEU HB3 H 0.765 0.000 2 796 1233 77 LEU HG H 1.741 0.000 1 797 1233 77 LEU HD2 H 0.799 0.000 2 798 1233 77 LEU C C 178.506 0.000 1 799 1233 77 LEU CA C 58.117 0.000 1 800 1233 77 LEU CB C 40.674 0.000 1 801 1233 77 LEU CD2 C 25.440 0.000 2 802 1233 77 LEU N N 119.124 0.000 1 803 1234 78 ASP H H 8.194 0.000 1 804 1234 78 ASP HA H 4.132 0.000 1 805 1234 78 ASP HB2 H 2.582 0.000 2 806 1234 78 ASP HB3 H 2.339 0.000 2 807 1234 78 ASP C C 178.467 0.000 1 808 1234 78 ASP CA C 57.676 0.000 1 809 1234 78 ASP CB C 40.658 0.000 1 810 1234 78 ASP N N 117.908 0.000 1 811 1235 79 ASN H H 7.298 0.000 1 812 1235 79 ASN HA H 4.018 0.000 1 813 1235 79 ASN HB2 H 2.454 0.000 2 814 1235 79 ASN HB3 H 2.106 0.000 2 815 1235 79 ASN HD21 H 6.584 0.000 2 816 1235 79 ASN HD22 H 5.369 0.000 2 817 1235 79 ASN C C 177.379 0.000 1 818 1235 79 ASN CA C 57.219 0.000 1 819 1235 79 ASN CB C 39.967 0.000 1 820 1235 79 ASN N N 115.403 0.000 1 821 1235 79 ASN ND2 N 112.531 0.000 1 822 1236 80 VAL H H 8.206 0.000 1 823 1236 80 VAL HA H 3.279 0.000 1 824 1236 80 VAL HB H 2.130 0.000 1 825 1236 80 VAL HG1 H 0.776 0.000 2 826 1236 80 VAL HG2 H 0.934 0.000 2 827 1236 80 VAL C C 176.976 0.000 1 828 1236 80 VAL CA C 67.059 0.000 1 829 1236 80 VAL CB C 31.815 0.000 1 830 1236 80 VAL CG1 C 21.837 0.000 2 831 1236 80 VAL CG2 C 23.858 0.000 2 832 1236 80 VAL N N 119.939 0.000 1 833 1237 81 GLN H H 8.700 0.000 1 834 1237 81 GLN HA H 4.309 0.000 1 835 1237 81 GLN HB2 H 2.066 0.000 2 836 1237 81 GLN HB3 H 1.917 0.000 2 837 1237 81 GLN HG2 H 2.370 0.000 2 838 1237 81 GLN HG3 H 2.309 0.000 2 839 1237 81 GLN HE21 H 7.061 0.000 2 840 1237 81 GLN HE22 H 7.230 0.000 2 841 1237 81 GLN C C 179.164 0.000 1 842 1237 81 GLN CA C 59.155 0.000 1 843 1237 81 GLN CB C 28.421 0.000 1 844 1237 81 GLN CG C 32.999 0.000 1 845 1237 81 GLN N N 118.221 0.000 1 846 1237 81 GLN NE2 N 110.308 0.000 1 847 1238 82 VAL H H 7.527 0.000 1 848 1238 82 VAL HA H 3.594 0.000 1 849 1238 82 VAL HB H 1.955 0.000 1 850 1238 82 VAL HG1 H 0.744 0.000 2 851 1238 82 VAL HG2 H 0.889 0.000 2 852 1238 82 VAL C C 178.333 0.000 1 853 1238 82 VAL CA C 66.571 0.000 1 854 1238 82 VAL CB C 31.707 0.000 1 855 1238 82 VAL CG1 C 20.796 0.000 2 856 1238 82 VAL CG2 C 22.625 0.000 2 857 1238 82 VAL N N 118.462 0.000 1 858 1239 83 VAL H H 7.186 0.000 1 859 1239 83 VAL HA H 3.643 0.000 1 860 1239 83 VAL HB H 1.885 0.000 1 861 1239 83 VAL HG1 H 0.855 0.000 2 862 1239 83 VAL HG2 H 0.927 0.000 2 863 1239 83 VAL C C 179.996 0.000 1 864 1239 83 VAL CA C 66.280 0.000 1 865 1239 83 VAL CB C 31.375 0.000 1 866 1239 83 VAL CG1 C 22.103 0.000 2 867 1239 83 VAL CG2 C 22.445 0.000 2 868 1239 83 VAL N N 120.047 0.000 1 869 1240 84 LEU H H 8.731 0.000 1 870 1240 84 LEU HA H 3.929 0.000 1 871 1240 84 LEU HB2 H 1.708 0.000 2 872 1240 84 LEU HB3 H 1.642 0.000 2 873 1240 84 LEU HD1 H 0.684 0.000 2 874 1240 84 LEU HD2 H 0.713 0.000 2 875 1240 84 LEU C C 179.201 0.000 1 876 1240 84 LEU CA C 58.967 0.000 1 877 1240 84 LEU CB C 41.922 0.000 1 878 1240 84 LEU CD1 C 24.699 0.000 2 879 1240 84 LEU CD2 C 26.103 0.000 2 880 1240 84 LEU N N 123.946 0.000 1 881 1241 85 GLN H H 8.362 0.000 1 882 1241 85 GLN HA H 3.871 0.000 1 883 1241 85 GLN HB2 H 2.047 0.000 2 884 1241 85 GLN HB3 H 1.977 0.000 2 885 1241 85 GLN HG2 H 2.237 0.000 2 886 1241 85 GLN HG3 H 2.214 0.000 2 887 1241 85 GLN HE21 H 6.595 0.000 2 888 1241 85 GLN HE22 H 7.237 0.000 2 889 1241 85 GLN C C 178.908 0.000 1 890 1241 85 GLN CA C 59.182 0.000 1 891 1241 85 GLN CB C 28.035 0.000 1 892 1241 85 GLN CG C 33.753 0.000 1 893 1241 85 GLN N N 119.486 0.000 1 894 1241 85 GLN NE2 N 110.969 0.000 1 895 1242 86 GLN H H 7.947 0.000 1 896 1242 86 GLN HA H 3.951 0.000 1 897 1242 86 GLN HB2 H 2.076 0.000 2 898 1242 86 GLN HB3 H 1.964 0.000 2 899 1242 86 GLN HG2 H 2.421 0.000 2 900 1242 86 GLN HG3 H 2.298 0.000 2 901 1242 86 GLN HE21 H 6.662 0.000 2 902 1242 86 GLN HE22 H 7.302 0.000 2 903 1242 86 GLN C C 177.078 0.000 1 904 1242 86 GLN CA C 58.195 0.000 1 905 1242 86 GLN CB C 28.706 0.000 1 906 1242 86 GLN CG C 33.791 0.000 1 907 1242 86 GLN N N 117.580 0.000 1 908 1242 86 GLN NE2 N 111.189 0.000 1 909 1243 87 THR H H 7.857 0.000 1 910 1243 87 THR HA H 3.885 0.000 1 911 1243 87 THR HB H 3.671 0.000 1 912 1243 87 THR HG2 H 0.505 0.000 1 913 1243 87 THR C C 174.946 0.000 1 914 1243 87 THR CA C 65.181 0.000 1 915 1243 87 THR CB C 69.782 0.000 1 916 1243 87 THR CG2 C 20.732 0.000 1 917 1243 87 THR N N 112.935 0.000 1 918 1244 88 TYR H H 8.332 0.000 1 919 1244 88 TYR HA H 4.602 0.000 1 920 1244 88 TYR HB2 H 3.122 0.000 2 921 1244 88 TYR HB3 H 2.631 0.000 2 922 1244 88 TYR HD1 H 7.011 0.000 3 923 1244 88 TYR HD2 H 7.011 0.000 3 924 1244 88 TYR HE1 H 6.657 0.000 3 925 1244 88 TYR HE2 H 6.657 0.000 3 926 1244 88 TYR C C 176.707 0.000 1 927 1244 88 TYR CA C 58.474 0.000 1 928 1244 88 TYR CB C 40.245 0.000 1 929 1244 88 TYR CD1 C 132.842 0.000 3 930 1244 88 TYR CE1 C 118.553 0.000 3 931 1244 88 TYR N N 118.085 0.000 1 932 1245 89 GLY H H 7.903 0.000 1 933 1245 89 GLY HA2 H 3.989 0.000 2 934 1245 89 GLY HA3 H 3.912 0.000 2 935 1245 89 GLY C C 173.703 0.000 1 936 1245 89 GLY CA C 45.996 0.000 1 937 1245 89 GLY N N 109.653 0.000 1 938 1246 90 SER H H 7.545 0.000 1 939 1246 90 SER HA H 4.532 0.000 1 940 1246 90 SER HB2 H 3.729 0.000 2 941 1246 90 SER HB3 H 3.647 0.000 2 942 1246 90 SER C C 172.901 0.000 1 943 1246 90 SER CA C 57.490 0.000 1 944 1246 90 SER CB C 64.665 0.000 1 945 1246 90 SER N N 113.969 0.000 1 946 1247 91 THR H H 7.816 0.000 1 947 1247 91 THR HA H 4.315 0.000 1 948 1247 91 THR HB H 4.129 0.000 1 949 1247 91 THR HG2 H 1.041 0.000 1 950 1247 91 THR C C 174.603 0.000 1 951 1247 91 THR CA C 61.158 0.000 1 952 1247 91 THR CB C 70.607 0.000 1 953 1247 91 THR CG2 C 21.774 0.000 1 954 1247 91 THR N N 110.404 0.000 1 955 1248 92 LEU H H 8.826 0.000 1 956 1248 92 LEU HA H 4.193 0.000 1 957 1248 92 LEU HB2 H 1.349 0.000 2 958 1248 92 LEU HB3 H 1.349 0.000 2 959 1248 92 LEU HD1 H 0.651 0.000 2 960 1248 92 LEU HD2 H 0.622 0.000 2 961 1248 92 LEU C C 176.878 0.000 1 962 1248 92 LEU CA C 55.043 0.000 1 963 1248 92 LEU CB C 42.537 0.000 1 964 1248 92 LEU CD1 C 24.796 0.000 2 965 1248 92 LEU CD2 C 23.857 0.000 2 966 1248 92 LEU N N 124.124 0.000 1 967 1249 93 LYS H H 8.528 0.000 1 968 1249 93 LYS HA H 4.295 0.000 1 969 1249 93 LYS HB2 H 1.658 0.000 2 970 1249 93 LYS HB3 H 1.582 0.000 2 971 1249 93 LYS HG2 H 1.265 0.000 2 972 1249 93 LYS HG3 H 1.190 0.000 2 973 1249 93 LYS HD2 H 1.504 0.000 2 974 1249 93 LYS HD3 H 1.504 0.000 2 975 1249 93 LYS HE2 H 2.805 0.000 2 976 1249 93 LYS HE3 H 2.805 0.000 2 977 1249 93 LYS C C 175.899 0.000 1 978 1249 93 LYS CA C 55.927 0.000 1 979 1249 93 LYS CB C 32.401 0.000 1 980 1249 93 LYS CG C 24.589 0.000 1 981 1249 93 LYS CD C 28.925 0.000 1 982 1249 93 LYS CE C 41.989 0.000 1 983 1249 93 LYS N N 124.862 0.000 1 984 1250 94 VAL H H 8.251 0.000 1 985 1250 94 VAL HA H 4.149 0.000 1 986 1250 94 VAL HB H 1.984 0.000 1 987 1250 94 VAL HG1 H 0.768 0.000 2 988 1250 94 VAL HG2 H 0.795 0.000 2 989 1250 94 VAL C C 175.084 0.000 1 990 1250 94 VAL CA C 62.087 0.000 1 991 1250 94 VAL CB C 32.713 0.000 1 992 1250 94 VAL CG1 C 20.389 0.000 2 993 1250 94 VAL CG2 C 21.433 0.000 2 994 1250 94 VAL N N 122.680 0.000 1 995 1251 95 THR H H 7.639 0.000 1 996 1251 95 THR HA H 4.032 0.000 1 997 1251 95 THR HB H 4.108 0.000 1 998 1251 95 THR HG2 H 0.979 0.000 1 999 1251 95 THR CA C 63.222 0.000 1 1000 1251 95 THR CB C 70.778 0.000 1 1001 1251 95 THR CG2 C 22.000 0.000 1 1002 1251 95 THR N N 122.145 0.000 1 stop_ save_