data_25559 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of C-terminal domain of human polymerase Rev1 in complex with PolD3 RIR-motif ; _BMRB_accession_number 25559 _BMRB_flat_file_name bmr25559.str _Entry_type original _Submission_date 2015-04-01 _Accession_date 2015-04-01 _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 Pustovalova Yulia . . 2 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" 585 "13C chemical shifts" 338 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-25 update BMRB 'update entry citation' 2016-04-12 original author 'original release' stop_ _Original_release_date 2016-04-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interaction between the Rev1 C-terminal Domain and the PolD3 Subunit of Pol-zeta Suggests a Mechanism of Polymerase Exchange upon Rev1/Pol-zeta-Dependent Translesion Synthesis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26982350 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pustovalova Yulia . . 2 Magalhaes Mariana T.Q. . 3 D'Souza Sanjay . . 4 Rizzo Alessandro A. . 5 Korza George . . 6 Walker Graham C. . 7 Korzhnev Dmitry M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 55 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2043 _Page_last 2053 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of human polymerase Rev1 in complex with PolD3 RIR-motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rev1-CT $Rev1-CT PolD3 $PolD3 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_Rev1-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rev1-CT _Molecular_mass 10954.707 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; NLAGAVEFNDVKTLLREWIT TISDPMEEDILQVVKYCTDL IEEKDLEKLDLVIKYMKRLM QQSVESVWNMAFDFILDNVQ VVLQQTYGSTLKVT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1158 ASN 2 1159 LEU 3 1160 ALA 4 1161 GLY 5 1162 ALA 6 1163 VAL 7 1164 GLU 8 1165 PHE 9 1166 ASN 10 1167 ASP 11 1168 VAL 12 1169 LYS 13 1170 THR 14 1171 LEU 15 1172 LEU 16 1173 ARG 17 1174 GLU 18 1175 TRP 19 1176 ILE 20 1177 THR 21 1178 THR 22 1179 ILE 23 1180 SER 24 1181 ASP 25 1182 PRO 26 1183 MET 27 1184 GLU 28 1185 GLU 29 1186 ASP 30 1187 ILE 31 1188 LEU 32 1189 GLN 33 1190 VAL 34 1191 VAL 35 1192 LYS 36 1193 TYR 37 1194 CYS 38 1195 THR 39 1196 ASP 40 1197 LEU 41 1198 ILE 42 1199 GLU 43 1200 GLU 44 1201 LYS 45 1202 ASP 46 1203 LEU 47 1204 GLU 48 1205 LYS 49 1206 LEU 50 1207 ASP 51 1208 LEU 52 1209 VAL 53 1210 ILE 54 1211 LYS 55 1212 TYR 56 1213 MET 57 1214 LYS 58 1215 ARG 59 1216 LEU 60 1217 MET 61 1218 GLN 62 1219 GLN 63 1220 SER 64 1221 VAL 65 1222 GLU 66 1223 SER 67 1224 VAL 68 1225 TRP 69 1226 ASN 70 1227 MET 71 1228 ALA 72 1229 PHE 73 1230 ASP 74 1231 PHE 75 1232 ILE 76 1233 LEU 77 1234 ASP 78 1235 ASN 79 1236 VAL 80 1237 GLN 81 1238 VAL 82 1239 VAL 83 1240 LEU 84 1241 GLN 85 1242 GLN 86 1243 THR 87 1244 TYR 88 1245 GLY 89 1246 SER 90 1247 THR 91 1248 LEU 92 1249 LYS 93 1250 VAL 94 1251 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_PolD3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PolD3 _Molecular_mass 1779.138 _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence ; KGNMMSNFFGKAAMNK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 231 LYS 2 232 GLY 3 233 ASN 4 234 MET 5 235 MET 6 236 SER 7 237 ASN 8 238 PHE 9 239 PHE 10 240 GLY 11 241 LYS 12 242 ALA 13 243 ALA 14 244 MET 15 245 ASN 16 246 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rev1-CT human 9606 Eukaryota Metazoa Homo sapiens $PolD3 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 $Rev1-CT 'recombinant technology' . . . BL21(DE3) pET28b+ $PolD3 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-13C_Rev1-CT-PolD3 _Saveframe_category sample _Sample_type solution _Details 'a 15N/13C-labeled hRev1-CT with excess of an unlabeled PolD3 peptide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Rev1-CT 0.5 mM . . '[U-100% 13C; U-100% 15N]' $PolD3 . mM 0.5 0.8 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_ABACUS_(CNS) _Saveframe_category software _Name ABACUS_(CNS) _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2.20 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _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 $15N-13C_Rev1-CT-PolD3 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_2D_1H-1H_(filt.)_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H (filt.) TOCSY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_2D_1H-1H_(filt.)_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H (filt.) NOESY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_1H-13C_(CNfilt.)_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C (CNfilt.) NOESY' _Sample_label $15N-13C_Rev1-CT-PolD3 save_ save_3D_1H-15N_(CNfilt.)_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N (CNfilt.) NOESY' _Sample_label $15N-13C_Rev1-CT-PolD3 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 7.0 . pH pressure 1.0 . 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 water C 13 protons ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.868 internal direct . . . 1.0 water N 15 protons ppm 0 internal 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D 1H-1H (filt.) TOCSY' stop_ loop_ _Sample_label $15N-13C_Rev1-CT-PolD3 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 1 ASN HA H 5.290 0.010 1 2 1158 1 ASN HB2 H 2.132 0.010 1 3 1158 1 ASN HB3 H 2.602 0.010 1 4 1158 1 ASN HD21 H 6.826 0.010 1 5 1158 1 ASN HD22 H 7.564 0.010 1 6 1158 1 ASN H H 9.245 0.010 1 7 1158 1 ASN CA C 52.429 0.200 1 8 1158 1 ASN CB C 42.803 0.200 1 9 1158 1 ASN N N 119.893 0.100 1 10 1158 1 ASN ND2 N 114.284 0.100 1 11 1159 2 LEU H H 8.621 0.010 1 12 1159 2 LEU HA H 4.382 0.010 1 13 1159 2 LEU HB2 H 0.205 0.010 1 14 1159 2 LEU HB3 H 1.317 0.010 1 15 1159 2 LEU HG H 0.835 0.010 1 16 1159 2 LEU HD1 H 0.026 0.010 1 17 1159 2 LEU HD2 H 0.297 0.010 1 18 1159 2 LEU CA C 52.883 0.200 1 19 1159 2 LEU CB C 42.356 0.200 1 20 1159 2 LEU CG C 26.920 0.200 1 21 1159 2 LEU CD1 C 22.075 0.200 2 22 1159 2 LEU CD2 C 26.293 0.200 2 23 1159 2 LEU N N 125.455 0.100 1 24 1160 3 ALA H H 9.137 0.010 1 25 1160 3 ALA HA H 3.867 0.010 1 26 1160 3 ALA HB H 1.395 0.010 1 27 1160 3 ALA CA C 52.728 0.200 1 28 1160 3 ALA CB C 18.651 0.200 1 29 1160 3 ALA N N 127.431 0.100 1 30 1161 4 GLY H H 8.289 0.010 1 31 1161 4 GLY HA2 H 3.421 0.010 1 32 1161 4 GLY HA3 H 4.228 0.010 1 33 1161 4 GLY CA C 44.980 0.200 1 34 1161 4 GLY N N 104.501 0.100 1 35 1162 5 ALA H H 8.260 0.010 1 36 1162 5 ALA HA H 4.340 0.010 1 37 1162 5 ALA HB H 1.278 0.010 1 38 1162 5 ALA CA C 52.404 0.200 1 39 1162 5 ALA CB C 19.257 0.200 1 40 1162 5 ALA N N 125.868 0.100 1 41 1163 6 VAL H H 8.626 0.010 1 42 1163 6 VAL HA H 4.391 0.010 1 43 1163 6 VAL HB H 1.927 0.010 1 44 1163 6 VAL HG1 H 0.901 0.010 1 45 1163 6 VAL HG2 H 0.959 0.010 1 46 1163 6 VAL CA C 62.735 0.200 1 47 1163 6 VAL CB C 35.237 0.200 1 48 1163 6 VAL CG1 C 21.027 0.200 2 49 1163 6 VAL CG2 C 20.936 0.200 2 50 1163 6 VAL N N 120.172 0.100 1 51 1164 7 GLU H H 8.848 0.010 1 52 1164 7 GLU HA H 4.268 0.010 1 53 1164 7 GLU HB2 H 2.011 0.010 1 54 1164 7 GLU HB3 H 2.290 0.010 1 55 1164 7 GLU HG2 H 2.406 0.010 2 56 1164 7 GLU HG3 H 2.507 0.010 2 57 1164 7 GLU CA C 56.395 0.200 1 58 1164 7 GLU CB C 29.271 0.200 1 59 1164 7 GLU CG C 36.181 0.200 1 60 1164 7 GLU N N 122.537 0.100 1 61 1165 8 PHE H H 9.415 0.010 1 62 1165 8 PHE HA H 4.238 0.010 1 63 1165 8 PHE HB2 H 3.000 0.010 1 64 1165 8 PHE HB3 H 3.244 0.010 1 65 1165 8 PHE HD1 H 7.218 0.010 3 66 1165 8 PHE HD2 H 7.218 0.010 3 67 1165 8 PHE HE1 H 7.174 0.010 3 68 1165 8 PHE HE2 H 7.174 0.010 3 69 1165 8 PHE HZ H 6.974 0.010 1 70 1165 8 PHE CA C 61.291 0.200 1 71 1165 8 PHE CB C 38.907 0.200 1 72 1165 8 PHE CD1 C 131.078 0.200 1 73 1165 8 PHE CE1 C 131.095 0.200 1 74 1165 8 PHE CZ C 129.212 0.200 1 75 1165 8 PHE N N 126.083 0.100 1 76 1166 9 ASN H H 9.284 0.010 1 77 1166 9 ASN HA H 4.011 0.010 1 78 1166 9 ASN HB2 H 2.692 0.010 1 79 1166 9 ASN HB3 H 2.758 0.010 1 80 1166 9 ASN HD21 H 6.970 0.010 2 81 1166 9 ASN HD22 H 7.776 0.010 2 82 1166 9 ASN CA C 56.698 0.200 1 83 1166 9 ASN CB C 37.798 0.200 1 84 1166 9 ASN N N 115.046 0.100 1 85 1166 9 ASN ND2 N 113.664 0.100 1 86 1167 10 ASP H H 7.204 0.010 1 87 1167 10 ASP HA H 4.461 0.010 1 88 1167 10 ASP HB2 H 2.731 0.010 2 89 1167 10 ASP HB3 H 2.865 0.010 2 90 1167 10 ASP CA C 56.972 0.200 1 91 1167 10 ASP CB C 40.084 0.200 1 92 1167 10 ASP N N 119.238 0.100 1 93 1168 11 VAL H H 7.961 0.010 1 94 1168 11 VAL HA H 3.215 0.010 1 95 1168 11 VAL HB H 2.032 0.010 1 96 1168 11 VAL HG1 H 0.640 0.010 1 97 1168 11 VAL HG2 H 0.718 0.010 1 98 1168 11 VAL CA C 67.306 0.200 1 99 1168 11 VAL CB C 32.038 0.200 1 100 1168 11 VAL CG1 C 20.169 0.200 2 101 1168 11 VAL CG2 C 22.199 0.200 2 102 1168 11 VAL N N 124.118 0.100 1 103 1169 12 LYS H H 8.236 0.010 1 104 1169 12 LYS HA H 3.443 0.010 1 105 1169 12 LYS HB2 H 0.979 0.010 1 106 1169 12 LYS HB3 H 1.200 0.010 1 107 1169 12 LYS HG2 H -0.002 0.010 1 108 1169 12 LYS HG3 H 0.333 0.010 1 109 1169 12 LYS HD2 H 0.757 0.010 2 110 1169 12 LYS HD3 H 0.922 0.010 2 111 1169 12 LYS HE2 H 2.069 0.010 2 112 1169 12 LYS HE3 H 2.227 0.010 2 113 1169 12 LYS CA C 60.654 0.200 1 114 1169 12 LYS CB C 31.450 0.200 1 115 1169 12 LYS CG C 24.693 0.200 1 116 1169 12 LYS CD C 29.615 0.200 1 117 1169 12 LYS CE C 41.130 0.200 1 118 1169 12 LYS N N 117.621 0.100 1 119 1170 13 THR H H 7.621 0.010 1 120 1170 13 THR HA H 3.801 0.010 1 121 1170 13 THR HB H 4.266 0.010 1 122 1170 13 THR HG1 H 4.848 0.010 1 123 1170 13 THR HG2 H 1.228 0.010 1 124 1170 13 THR CA C 66.937 0.200 1 125 1170 13 THR CB C 68.930 0.200 1 126 1170 13 THR CG2 C 21.926 0.200 1 127 1170 13 THR N N 116.564 0.100 1 128 1171 14 LEU H H 7.627 0.010 1 129 1171 14 LEU HA H 4.327 0.010 1 130 1171 14 LEU HB2 H 1.735 0.010 1 131 1171 14 LEU HB3 H 1.875 0.010 1 132 1171 14 LEU HG H 1.780 0.010 1 133 1171 14 LEU HD1 H 0.996 0.010 1 134 1171 14 LEU HD2 H 0.923 0.010 1 135 1171 14 LEU CA C 58.346 0.200 1 136 1171 14 LEU CB C 43.071 0.200 1 137 1171 14 LEU CG C 27.388 0.200 1 138 1171 14 LEU CD1 C 25.828 0.200 1 139 1171 14 LEU CD2 C 25.166 0.200 1 140 1171 14 LEU N N 122.993 0.100 1 141 1172 15 LEU H H 8.513 0.010 1 142 1172 15 LEU HA H 4.338 0.010 1 143 1172 15 LEU HB2 H 1.392 0.010 1 144 1172 15 LEU HB3 H 2.238 0.010 1 145 1172 15 LEU HG H 1.897 0.010 1 146 1172 15 LEU HD1 H 0.916 0.010 1 147 1172 15 LEU HD2 H 1.100 0.010 1 148 1172 15 LEU CA C 58.470 0.200 1 149 1172 15 LEU CB C 42.901 0.200 1 150 1172 15 LEU CG C 26.949 0.200 1 151 1172 15 LEU CD1 C 26.931 0.200 1 152 1172 15 LEU CD2 C 23.863 0.200 1 153 1172 15 LEU N N 117.389 0.100 1 154 1173 16 ARG H H 8.647 0.010 1 155 1173 16 ARG HA H 3.791 0.010 1 156 1173 16 ARG HB2 H 2.011 0.010 1 157 1173 16 ARG HB3 H 2.299 0.010 1 158 1173 16 ARG HG2 H 1.489 0.010 2 159 1173 16 ARG HG3 H 1.489 0.010 2 160 1173 16 ARG HD2 H 3.152 0.010 1 161 1173 16 ARG HD3 H 3.218 0.010 1 162 1173 16 ARG CA C 60.010 0.200 1 163 1173 16 ARG CB C 29.388 0.200 1 164 1173 16 ARG CG C 27.622 0.200 1 165 1173 16 ARG CD C 43.327 0.200 1 166 1173 16 ARG N N 117.643 0.100 1 167 1174 17 GLU H H 8.375 0.010 1 168 1174 17 GLU HA H 3.875 0.010 1 169 1174 17 GLU HB2 H 2.329 0.010 2 170 1174 17 GLU HB3 H 2.329 0.010 2 171 1174 17 GLU HG2 H 2.346 0.010 1 172 1174 17 GLU HG3 H 2.457 0.010 1 173 1174 17 GLU CA C 59.933 0.200 1 174 1174 17 GLU CB C 29.330 0.200 1 175 1174 17 GLU CG C 36.288 0.200 1 176 1174 17 GLU N N 122.504 0.100 1 177 1175 18 TRP H H 8.250 0.010 1 178 1175 18 TRP HA H 4.345 0.010 1 179 1175 18 TRP HB2 H 2.484 0.010 1 180 1175 18 TRP HB3 H 3.490 0.010 1 181 1175 18 TRP HD1 H 6.231 0.010 1 182 1175 18 TRP HE1 H 10.723 0.010 1 183 1175 18 TRP HZ2 H 7.291 0.010 1 184 1175 18 TRP HH2 H 7.073 0.010 1 185 1175 18 TRP CA C 58.867 0.200 1 186 1175 18 TRP CB C 28.876 0.200 1 187 1175 18 TRP CD1 C 126.815 0.200 1 188 1175 18 TRP CZ2 C 114.081 0.200 1 189 1175 18 TRP CH2 C 122.810 0.200 1 190 1175 18 TRP N N 123.108 0.100 1 191 1175 18 TRP NE1 N 128.650 0.100 1 192 1176 19 ILE H H 7.728 0.010 1 193 1176 19 ILE HA H 2.462 0.010 1 194 1176 19 ILE HB H 0.930 0.010 1 195 1176 19 ILE HG12 H -0.491 0.010 2 196 1176 19 ILE HG13 H 1.165 0.010 2 197 1176 19 ILE HG2 H -0.423 0.010 1 198 1176 19 ILE HD1 H 0.517 0.010 1 199 1176 19 ILE CA C 62.626 0.200 1 200 1176 19 ILE CB C 38.418 0.200 1 201 1176 19 ILE CG1 C 29.303 0.200 1 202 1176 19 ILE CG2 C 16.839 0.200 1 203 1176 19 ILE CD1 C 16.280 0.200 1 204 1176 19 ILE N N 113.749 0.100 1 205 1177 20 THR H H 7.725 0.010 1 206 1177 20 THR HA H 4.036 0.010 1 207 1177 20 THR HB H 4.188 0.010 1 208 1177 20 THR HG1 H 5.038 0.010 1 209 1177 20 THR HG2 H 1.141 0.010 1 210 1177 20 THR CA C 63.647 0.200 1 211 1177 20 THR CB C 69.925 0.200 1 212 1177 20 THR CG2 C 21.215 0.200 1 213 1177 20 THR N N 105.422 0.100 1 214 1178 21 THR H H 7.466 0.010 1 215 1178 21 THR HA H 4.545 0.010 1 216 1178 21 THR HB H 4.260 0.010 1 217 1178 21 THR HG1 H 5.344 0.010 1 218 1178 21 THR HG2 H 1.313 0.010 1 219 1178 21 THR CA C 63.108 0.200 1 220 1178 21 THR CB C 71.024 0.200 1 221 1178 21 THR CG2 C 21.066 0.200 1 222 1178 21 THR N N 110.850 0.100 1 223 1179 22 ILE H H 7.611 0.010 1 224 1179 22 ILE HA H 4.486 0.010 1 225 1179 22 ILE HB H 2.550 0.010 1 226 1179 22 ILE HG12 H 1.395 0.010 1 227 1179 22 ILE HG13 H 1.779 0.010 1 228 1179 22 ILE HG2 H 0.855 0.010 1 229 1179 22 ILE HD1 H 0.990 0.010 1 230 1179 22 ILE CA C 58.369 0.200 1 231 1179 22 ILE CB C 36.449 0.200 1 232 1179 22 ILE CG1 C 28.204 0.200 1 233 1179 22 ILE CG2 C 18.223 0.200 1 234 1179 22 ILE CD1 C 10.836 0.200 1 235 1179 22 ILE N N 124.448 0.100 1 236 1180 23 SER H H 8.493 0.010 1 237 1180 23 SER HA H 4.512 0.010 1 238 1180 23 SER HB2 H 3.883 0.010 2 239 1180 23 SER HB3 H 3.963 0.010 2 240 1180 23 SER CA C 59.537 0.200 1 241 1180 23 SER CB C 64.034 0.200 1 242 1180 23 SER N N 120.064 0.100 1 243 1181 24 ASP H H 7.317 0.010 1 244 1181 24 ASP HA H 4.814 0.010 1 245 1181 24 ASP HB2 H 2.316 0.010 2 246 1181 24 ASP HB3 H 2.524 0.010 2 247 1181 24 ASP CA C 50.987 0.200 1 248 1181 24 ASP CB C 41.599 0.200 1 249 1181 24 ASP N N 119.705 0.100 1 250 1182 25 PRO HA H 4.195 0.010 1 251 1182 25 PRO HB2 H 1.420 0.010 2 252 1182 25 PRO HB3 H 1.420 0.010 2 253 1182 25 PRO HG2 H -0.255 0.010 1 254 1182 25 PRO HG3 H 1.159 0.010 1 255 1182 25 PRO HD2 H 1.891 0.010 1 256 1182 25 PRO HD3 H 3.114 0.010 1 257 1182 25 PRO CA C 62.047 0.200 1 258 1182 25 PRO CB C 31.933 0.200 1 259 1182 25 PRO CG C 25.716 0.200 1 260 1182 25 PRO CD C 49.839 0.200 1 261 1183 26 MET H H 9.485 0.010 1 262 1183 26 MET HA H 4.498 0.010 1 263 1183 26 MET HB2 H 2.309 0.010 2 264 1183 26 MET HB3 H 2.427 0.010 2 265 1183 26 MET HG2 H 2.715 0.010 2 266 1183 26 MET HG3 H 2.936 0.010 2 267 1183 26 MET HE H 2.123 0.010 1 268 1183 26 MET CA C 55.032 0.200 1 269 1183 26 MET CB C 33.571 0.200 1 270 1183 26 MET CG C 32.817 0.200 1 271 1183 26 MET CE C 17.677 0.200 1 272 1183 26 MET N N 122.027 0.100 1 273 1184 27 GLU H H 9.193 0.010 1 274 1184 27 GLU HA H 3.781 0.010 1 275 1184 27 GLU HB2 H 1.955 0.010 1 276 1184 27 GLU HB3 H 2.059 0.010 1 277 1184 27 GLU HG2 H 2.128 0.010 2 278 1184 27 GLU HG3 H 2.128 0.010 2 279 1184 27 GLU CA C 60.382 0.200 1 280 1184 27 GLU CB C 29.784 0.200 1 281 1184 27 GLU CG C 36.312 0.200 1 282 1184 27 GLU N N 126.425 0.100 1 283 1185 28 GLU H H 9.606 0.010 1 284 1185 28 GLU HA H 3.991 0.010 1 285 1185 28 GLU HB2 H 1.935 0.010 2 286 1185 28 GLU HB3 H 2.039 0.010 2 287 1185 28 GLU HG2 H 2.364 0.010 2 288 1185 28 GLU HG3 H 2.364 0.010 2 289 1185 28 GLU CA C 60.177 0.200 1 290 1185 28 GLU CB C 29.763 0.200 1 291 1185 28 GLU CG C 36.965 0.200 1 292 1185 28 GLU N N 116.252 0.100 1 293 1186 29 ASP H H 7.176 0.010 1 294 1186 29 ASP HA H 4.849 0.010 1 295 1186 29 ASP HB2 H 2.592 0.010 1 296 1186 29 ASP HB3 H 3.145 0.010 1 297 1186 29 ASP CA C 57.731 0.200 1 298 1186 29 ASP CB C 42.266 0.200 1 299 1186 29 ASP N N 117.579 0.100 1 300 1187 30 ILE H H 8.047 0.010 1 301 1187 30 ILE HA H 3.883 0.010 1 302 1187 30 ILE HB H 2.113 0.010 1 303 1187 30 ILE HG12 H 1.162 0.010 1 304 1187 30 ILE HG13 H 2.065 0.010 1 305 1187 30 ILE HG2 H 1.071 0.010 1 306 1187 30 ILE HD1 H 0.688 0.010 1 307 1187 30 ILE CA C 66.569 0.200 1 308 1187 30 ILE CB C 38.079 0.200 1 309 1187 30 ILE CG1 C 29.903 0.200 1 310 1187 30 ILE CG2 C 18.445 0.200 1 311 1187 30 ILE CD1 C 13.477 0.200 1 312 1187 30 ILE N N 121.269 0.100 1 313 1188 31 LEU H H 8.766 0.010 1 314 1188 31 LEU HA H 4.114 0.010 1 315 1188 31 LEU HB2 H 1.544 0.010 1 316 1188 31 LEU HB3 H 1.923 0.010 1 317 1188 31 LEU HG H 1.882 0.010 1 318 1188 31 LEU HD1 H 1.022 0.010 1 319 1188 31 LEU HD2 H 0.941 0.010 1 320 1188 31 LEU CA C 58.013 0.200 1 321 1188 31 LEU CB C 41.085 0.200 1 322 1188 31 LEU CG C 27.281 0.200 1 323 1188 31 LEU CD1 C 22.247 0.200 1 324 1188 31 LEU CD2 C 25.300 0.200 1 325 1188 31 LEU N N 117.537 0.100 1 326 1189 32 GLN H H 7.782 0.010 1 327 1189 32 GLN HA H 4.110 0.010 1 328 1189 32 GLN HB2 H 1.968 0.010 1 329 1189 32 GLN HB3 H 2.257 0.010 1 330 1189 32 GLN HG2 H 2.325 0.010 1 331 1189 32 GLN HG3 H 2.592 0.010 1 332 1189 32 GLN HE21 H 6.854 0.010 1 333 1189 32 GLN HE22 H 7.490 0.010 1 334 1189 32 GLN CA C 59.546 0.200 1 335 1189 32 GLN CB C 28.198 0.200 1 336 1189 32 GLN CG C 34.643 0.200 1 337 1189 32 GLN N N 120.765 0.100 1 338 1189 32 GLN NE2 N 111.712 0.100 1 339 1190 33 VAL H H 7.774 0.010 1 340 1190 33 VAL HA H 3.584 0.010 1 341 1190 33 VAL HB H 2.452 0.010 1 342 1190 33 VAL HG1 H 0.821 0.010 1 343 1190 33 VAL HG2 H 1.144 0.010 1 344 1190 33 VAL CA C 67.281 0.200 1 345 1190 33 VAL CB C 31.453 0.200 1 346 1190 33 VAL CG1 C 24.878 0.200 2 347 1190 33 VAL CG2 C 22.815 0.200 2 348 1190 33 VAL N N 122.647 0.100 1 349 1191 34 VAL H H 8.469 0.010 1 350 1191 34 VAL HA H 3.391 0.010 1 351 1191 34 VAL HB H 2.343 0.010 1 352 1191 34 VAL HG1 H 0.860 0.010 1 353 1191 34 VAL HG2 H 1.228 0.010 1 354 1191 34 VAL CA C 68.396 0.200 1 355 1191 34 VAL CB C 31.680 0.200 1 356 1191 34 VAL CG1 C 21.866 0.200 2 357 1191 34 VAL CG2 C 25.041 0.200 2 358 1191 34 VAL N N 121.326 0.100 1 359 1192 35 LYS H H 8.215 0.010 1 360 1192 35 LYS HA H 4.174 0.010 1 361 1192 35 LYS HB2 H 1.909 0.010 2 362 1192 35 LYS HB3 H 2.017 0.010 2 363 1192 35 LYS HG2 H 1.458 0.010 2 364 1192 35 LYS HG3 H 1.458 0.010 2 365 1192 35 LYS HD2 H 1.597 0.010 2 366 1192 35 LYS HD3 H 1.782 0.010 2 367 1192 35 LYS HE2 H 3.017 0.010 2 368 1192 35 LYS HE3 H 3.017 0.010 2 369 1192 35 LYS CA C 58.600 0.200 1 370 1192 35 LYS CB C 31.858 0.200 1 371 1192 35 LYS CG C 24.920 0.200 1 372 1192 35 LYS CD C 28.564 0.200 1 373 1192 35 LYS CE C 42.505 0.200 1 374 1192 35 LYS N N 120.765 0.100 1 375 1193 36 TYR H H 7.846 0.010 1 376 1193 36 TYR HA H 4.395 0.010 1 377 1193 36 TYR HB2 H 3.118 0.010 2 378 1193 36 TYR HB3 H 3.118 0.010 2 379 1193 36 TYR HD1 H 6.917 0.010 3 380 1193 36 TYR HD2 H 6.917 0.010 3 381 1193 36 TYR HE1 H 6.548 0.010 3 382 1193 36 TYR HE2 H 6.548 0.010 3 383 1193 36 TYR CA C 61.283 0.200 1 384 1193 36 TYR CB C 38.357 0.200 1 385 1193 36 TYR CD1 C 132.560 0.200 1 386 1193 36 TYR CE1 C 117.505 0.200 1 387 1193 36 TYR N N 120.287 0.100 1 388 1194 37 CYS H H 8.061 0.010 1 389 1194 37 CYS HA H 3.689 0.010 1 390 1194 37 CYS HB2 H 2.394 0.010 1 391 1194 37 CYS HB3 H 3.222 0.010 1 392 1194 37 CYS HG H 2.676 0.010 1 393 1194 37 CYS CA C 64.517 0.200 1 394 1194 37 CYS CB C 28.147 0.200 1 395 1194 37 CYS N N 115.230 0.100 1 396 1195 38 THR H H 8.972 0.010 1 397 1195 38 THR HA H 3.881 0.010 1 398 1195 38 THR HB H 4.494 0.010 1 399 1195 38 THR HG1 H 4.861 0.010 1 400 1195 38 THR HG2 H 1.210 0.010 1 401 1195 38 THR CA C 66.720 0.200 1 402 1195 38 THR CB C 67.756 0.200 1 403 1195 38 THR CG2 C 21.361 0.200 1 404 1195 38 THR N N 113.281 0.100 1 405 1196 39 ASP H H 8.905 0.010 1 406 1196 39 ASP HA H 4.365 0.010 1 407 1196 39 ASP HB2 H 2.509 0.010 1 408 1196 39 ASP HB3 H 3.074 0.010 1 409 1196 39 ASP CA C 57.822 0.200 1 410 1196 39 ASP CB C 39.159 0.200 1 411 1196 39 ASP N N 127.341 0.100 1 412 1197 40 LEU H H 7.595 0.010 1 413 1197 40 LEU HA H 3.942 0.010 1 414 1197 40 LEU HB2 H 1.256 0.010 1 415 1197 40 LEU HB3 H 2.070 0.010 1 416 1197 40 LEU HG H 1.392 0.010 1 417 1197 40 LEU HD1 H 0.558 0.010 1 418 1197 40 LEU HD2 H 0.707 0.010 1 419 1197 40 LEU CA C 58.188 0.200 1 420 1197 40 LEU CB C 41.194 0.200 1 421 1197 40 LEU CG C 25.622 0.200 1 422 1197 40 LEU CD1 C 25.353 0.200 2 423 1197 40 LEU CD2 C 22.178 0.200 2 424 1197 40 LEU N N 118.448 0.100 1 425 1198 41 ILE H H 7.520 0.010 1 426 1198 41 ILE HA H 3.417 0.010 1 427 1198 41 ILE HB H 2.119 0.010 1 428 1198 41 ILE HG12 H 0.689 0.010 1 429 1198 41 ILE HG13 H 2.038 0.010 1 430 1198 41 ILE HG2 H 0.915 0.010 1 431 1198 41 ILE HD1 H 0.814 0.010 1 432 1198 41 ILE CA C 66.289 0.200 1 433 1198 41 ILE CB C 37.823 0.200 1 434 1198 41 ILE CG1 C 30.615 0.200 1 435 1198 41 ILE CG2 C 17.898 0.200 1 436 1198 41 ILE CD1 C 15.172 0.200 1 437 1198 41 ILE N N 118.250 0.100 1 438 1199 42 GLU H H 8.402 0.010 1 439 1199 42 GLU HA H 3.970 0.010 1 440 1199 42 GLU HB2 H 2.215 0.010 2 441 1199 42 GLU HB3 H 2.215 0.010 2 442 1199 42 GLU HG2 H 2.247 0.010 1 443 1199 42 GLU HG3 H 2.448 0.010 1 444 1199 42 GLU CA C 59.814 0.200 1 445 1199 42 GLU CB C 29.200 0.200 1 446 1199 42 GLU CG C 36.391 0.200 1 447 1199 42 GLU N N 124.017 0.100 1 448 1200 43 GLU H H 8.074 0.010 1 449 1200 43 GLU HA H 4.110 0.010 1 450 1200 43 GLU HB2 H 2.071 0.010 2 451 1200 43 GLU HB3 H 2.110 0.010 2 452 1200 43 GLU HG2 H 2.329 0.010 2 453 1200 43 GLU HG3 H 2.445 0.010 2 454 1200 43 GLU CA C 56.366 0.200 1 455 1200 43 GLU CB C 29.591 0.200 1 456 1200 43 GLU CG C 36.157 0.200 1 457 1200 43 GLU N N 116.722 0.100 1 458 1201 44 LYS H H 8.103 0.010 1 459 1201 44 LYS HA H 3.671 0.010 1 460 1201 44 LYS HB2 H 2.117 0.010 2 461 1201 44 LYS HB3 H 2.117 0.010 2 462 1201 44 LYS HG2 H 1.256 0.010 2 463 1201 44 LYS HG3 H 1.437 0.010 2 464 1201 44 LYS HD2 H 1.620 0.010 2 465 1201 44 LYS HD3 H 1.717 0.010 2 466 1201 44 LYS HE2 H 2.863 0.010 2 467 1201 44 LYS HE3 H 2.922 0.010 2 468 1201 44 LYS HZ H 7.530 0.010 1 469 1201 44 LYS CA C 57.476 0.200 1 470 1201 44 LYS CB C 29.479 0.200 1 471 1201 44 LYS CG C 26.028 0.200 1 472 1201 44 LYS CD C 29.468 0.200 1 473 1201 44 LYS CE C 42.370 0.200 1 474 1201 44 LYS N N 117.351 0.100 1 475 1202 45 ASP H H 8.616 0.010 1 476 1202 45 ASP HA H 5.056 0.010 1 477 1202 45 ASP HB2 H 2.189 0.010 1 478 1202 45 ASP HB3 H 3.031 0.010 1 479 1202 45 ASP CA C 51.357 0.200 1 480 1202 45 ASP CB C 39.127 0.200 1 481 1202 45 ASP N N 122.957 0.100 1 482 1203 46 LEU H H 7.538 0.010 1 483 1203 46 LEU HA H 3.870 0.010 1 484 1203 46 LEU HB2 H 1.395 0.010 1 485 1203 46 LEU HB3 H 1.654 0.010 1 486 1203 46 LEU HG H 1.440 0.010 1 487 1203 46 LEU HD1 H 0.607 0.010 1 488 1203 46 LEU HD2 H 0.577 0.010 1 489 1203 46 LEU CA C 56.727 0.200 1 490 1203 46 LEU CB C 40.160 0.200 1 491 1203 46 LEU CG C 27.723 0.200 1 492 1203 46 LEU CD1 C 22.559 0.200 2 493 1203 46 LEU CD2 C 24.738 0.200 2 494 1203 46 LEU N N 119.238 0.100 1 495 1204 47 GLU H H 8.643 0.010 1 496 1204 47 GLU HA H 4.054 0.010 1 497 1204 47 GLU HB2 H 2.044 0.010 2 498 1204 47 GLU HB3 H 2.044 0.010 2 499 1204 47 GLU HG2 H 2.134 0.010 2 500 1204 47 GLU HG3 H 2.267 0.010 2 501 1204 47 GLU CA C 59.546 0.200 1 502 1204 47 GLU CB C 29.381 0.200 1 503 1204 47 GLU CG C 36.518 0.200 1 504 1204 47 GLU N N 121.609 0.100 1 505 1205 48 LYS H H 7.477 0.010 1 506 1205 48 LYS HA H 3.685 0.010 1 507 1205 48 LYS HB2 H 1.449 0.010 1 508 1205 48 LYS HB3 H 1.699 0.010 1 509 1205 48 LYS HG2 H 1.176 0.010 2 510 1205 48 LYS HG3 H 1.176 0.010 2 511 1205 48 LYS HD2 H 1.475 0.010 1 512 1205 48 LYS HD3 H 1.666 0.010 1 513 1205 48 LYS HE2 H 2.903 0.010 1 514 1205 48 LYS HE3 H 2.972 0.010 1 515 1205 48 LYS CA C 59.551 0.200 1 516 1205 48 LYS CB C 32.537 0.200 1 517 1205 48 LYS CG C 25.499 0.200 1 518 1205 48 LYS CD C 28.877 0.200 1 519 1205 48 LYS CE C 41.580 0.200 1 520 1205 48 LYS N N 119.579 0.100 1 521 1206 49 LEU H H 7.552 0.010 1 522 1206 49 LEU HA H 3.932 0.010 1 523 1206 49 LEU HB2 H 1.290 0.010 1 524 1206 49 LEU HB3 H 1.947 0.010 1 525 1206 49 LEU HG H 1.548 0.010 1 526 1206 49 LEU HD1 H 0.842 0.010 1 527 1206 49 LEU HD2 H 0.957 0.010 1 528 1206 49 LEU CA C 57.972 0.200 1 529 1206 49 LEU CB C 41.466 0.200 1 530 1206 49 LEU CG C 26.783 0.200 1 531 1206 49 LEU CD1 C 26.754 0.200 2 532 1206 49 LEU CD2 C 23.290 0.200 2 533 1206 49 LEU N N 118.088 0.100 1 534 1207 50 ASP H H 7.808 0.010 1 535 1207 50 ASP HA H 4.257 0.010 1 536 1207 50 ASP HB2 H 2.712 0.010 2 537 1207 50 ASP HB3 H 2.712 0.010 2 538 1207 50 ASP CA C 57.919 0.200 1 539 1207 50 ASP CB C 42.233 0.200 1 540 1207 50 ASP N N 117.589 0.100 1 541 1208 51 LEU H H 7.583 0.010 1 542 1208 51 LEU HA H 3.978 0.010 1 543 1208 51 LEU HB2 H 1.169 0.010 1 544 1208 51 LEU HB3 H 1.752 0.010 1 545 1208 51 LEU HG H 1.797 0.010 1 546 1208 51 LEU HD1 H 0.608 0.010 1 547 1208 51 LEU HD2 H 0.771 0.010 1 548 1208 51 LEU CA C 58.163 0.200 1 549 1208 51 LEU CB C 42.338 0.200 1 550 1208 51 LEU CG C 26.325 0.200 1 551 1208 51 LEU CD1 C 25.348 0.200 2 552 1208 51 LEU CD2 C 22.541 0.200 2 553 1208 51 LEU N N 116.056 0.100 1 554 1209 52 VAL H H 8.926 0.010 1 555 1209 52 VAL HA H 4.033 0.010 1 556 1209 52 VAL HB H 2.507 0.010 1 557 1209 52 VAL HG1 H 1.303 0.010 1 558 1209 52 VAL HG2 H 1.307 0.010 1 559 1209 52 VAL CA C 66.817 0.200 1 560 1209 52 VAL CB C 32.044 0.200 1 561 1209 52 VAL CG1 C 21.443 0.200 2 562 1209 52 VAL CG2 C 24.359 0.200 2 563 1209 52 VAL N N 121.412 0.100 1 564 1210 53 ILE H H 8.779 0.010 1 565 1210 53 ILE HA H 4.012 0.010 1 566 1210 53 ILE HB H 2.342 0.010 1 567 1210 53 ILE HG12 H 1.490 0.010 1 568 1210 53 ILE HG13 H 1.680 0.010 1 569 1210 53 ILE HG2 H 1.078 0.010 1 570 1210 53 ILE HD1 H 0.809 0.010 1 571 1210 53 ILE CA C 63.563 0.200 1 572 1210 53 ILE CB C 35.616 0.200 1 573 1210 53 ILE CG1 C 27.843 0.200 1 574 1210 53 ILE CG2 C 17.618 0.200 1 575 1210 53 ILE CD1 C 10.265 0.200 1 576 1210 53 ILE N N 123.298 0.100 1 577 1211 54 LYS H H 8.359 0.010 1 578 1211 54 LYS HA H 3.871 0.010 1 579 1211 54 LYS HB2 H 1.874 0.010 1 580 1211 54 LYS HB3 H 1.948 0.010 1 581 1211 54 LYS HG2 H 1.468 0.010 1 582 1211 54 LYS HG3 H 1.732 0.010 1 583 1211 54 LYS HD2 H 1.581 0.010 2 584 1211 54 LYS HD3 H 1.650 0.010 2 585 1211 54 LYS HE2 H 2.988 0.010 2 586 1211 54 LYS HE3 H 2.988 0.010 2 587 1211 54 LYS CA C 60.545 0.200 1 588 1211 54 LYS CB C 32.825 0.200 1 589 1211 54 LYS CG C 27.211 0.200 1 590 1211 54 LYS CD C 29.421 0.200 1 591 1211 54 LYS CE C 42.166 0.200 1 592 1211 54 LYS N N 118.983 0.100 1 593 1212 55 TYR H H 8.233 0.010 1 594 1212 55 TYR HA H 4.303 0.010 1 595 1212 55 TYR HB2 H 3.135 0.010 1 596 1212 55 TYR HB3 H 3.429 0.010 1 597 1212 55 TYR HD1 H 7.039 0.010 1 598 1212 55 TYR HD2 H 7.039 0.010 1 599 1212 55 TYR HE1 H 6.829 0.010 3 600 1212 55 TYR HE2 H 6.829 0.010 3 601 1212 55 TYR CA C 61.894 0.200 1 602 1212 55 TYR CB C 39.100 0.200 1 603 1212 55 TYR CD1 C 132.161 0.200 1 604 1212 55 TYR CE1 C 119.381 0.200 1 605 1212 55 TYR N N 121.286 0.100 1 606 1213 56 MET H H 8.630 0.010 1 607 1213 56 MET HA H 3.687 0.010 1 608 1213 56 MET HB2 H 2.433 0.010 2 609 1213 56 MET HB3 H 2.706 0.010 2 610 1213 56 MET HG2 H 3.290 0.010 2 611 1213 56 MET HG3 H 3.290 0.010 2 612 1213 56 MET HE H 2.148 0.010 1 613 1213 56 MET CA C 60.850 0.200 1 614 1213 56 MET CB C 33.975 0.200 1 615 1213 56 MET CG C 33.898 0.200 1 616 1213 56 MET CE C 17.065 0.200 1 617 1213 56 MET N N 116.278 0.100 1 618 1214 57 LYS H H 8.685 0.010 1 619 1214 57 LYS HA H 2.511 0.010 1 620 1214 57 LYS HB2 H 1.602 0.010 2 621 1214 57 LYS HB3 H 1.602 0.010 2 622 1214 57 LYS HG2 H 0.386 0.010 2 623 1214 57 LYS HG3 H 0.856 0.010 2 624 1214 57 LYS HD2 H 1.463 0.010 2 625 1214 57 LYS HD3 H 1.463 0.010 2 626 1214 57 LYS HE2 H 2.873 0.010 2 627 1214 57 LYS HE3 H 2.873 0.010 2 628 1214 57 LYS CA C 60.155 0.200 1 629 1214 57 LYS CB C 32.942 0.200 1 630 1214 57 LYS CG C 24.454 0.200 1 631 1214 57 LYS CD C 29.831 0.200 1 632 1214 57 LYS CE C 42.347 0.200 1 633 1214 57 LYS N N 120.082 0.100 1 634 1215 58 ARG H H 7.109 0.010 1 635 1215 58 ARG HA H 3.827 0.010 1 636 1215 58 ARG HB2 H 1.778 0.010 2 637 1215 58 ARG HB3 H 1.778 0.010 2 638 1215 58 ARG HG2 H 1.426 0.010 2 639 1215 58 ARG HG3 H 1.564 0.010 2 640 1215 58 ARG HD2 H 3.114 0.010 2 641 1215 58 ARG HD3 H 3.114 0.010 2 642 1215 58 ARG CA C 58.557 0.200 1 643 1215 58 ARG CB C 29.557 0.200 1 644 1215 58 ARG CG C 27.106 0.200 1 645 1215 58 ARG CD C 43.474 0.200 1 646 1215 58 ARG N N 115.554 0.100 1 647 1216 59 LEU H H 7.184 0.010 1 648 1216 59 LEU HA H 3.806 0.010 1 649 1216 59 LEU HB2 H 1.009 0.010 1 650 1216 59 LEU HB3 H 1.317 0.010 1 651 1216 59 LEU HG H 1.162 0.010 1 652 1216 59 LEU HD1 H 0.357 0.010 1 653 1216 59 LEU HD2 H 0.486 0.010 1 654 1216 59 LEU CA C 57.116 0.200 1 655 1216 59 LEU CB C 43.212 0.200 1 656 1216 59 LEU CG C 27.237 0.200 1 657 1216 59 LEU CD1 C 25.698 0.200 1 658 1216 59 LEU CD2 C 22.731 0.200 1 659 1216 59 LEU N N 116.087 0.100 1 660 1217 60 MET H H 8.888 0.010 1 661 1217 60 MET HA H 3.683 0.010 1 662 1217 60 MET HB2 H 1.922 0.010 1 663 1217 60 MET HB3 H 2.299 0.010 1 664 1217 60 MET HG2 H 2.326 0.010 1 665 1217 60 MET HG3 H 2.854 0.010 1 666 1217 60 MET HE H 2.307 0.010 1 667 1217 60 MET CA C 59.571 0.200 1 668 1217 60 MET CB C 32.253 0.200 1 669 1217 60 MET CG C 35.428 0.200 1 670 1217 60 MET CE C 19.293 0.200 1 671 1217 60 MET N N 116.056 0.100 1 672 1218 61 GLN H H 7.521 0.010 1 673 1218 61 GLN HA H 4.381 0.010 1 674 1218 61 GLN HB2 H 1.953 0.010 2 675 1218 61 GLN HB3 H 1.953 0.010 2 676 1218 61 GLN HG2 H 2.230 0.010 2 677 1218 61 GLN HG3 H 2.230 0.010 2 678 1218 61 GLN HE21 H 6.968 0.010 1 679 1218 61 GLN HE22 H 7.768 0.010 1 680 1218 61 GLN CA C 56.595 0.200 1 681 1218 61 GLN CB C 27.436 0.200 1 682 1218 61 GLN CG C 34.294 0.200 1 683 1218 61 GLN N N 113.843 0.100 1 684 1218 61 GLN NE2 N 112.787 0.100 1 685 1219 62 GLN H H 7.314 0.010 1 686 1219 62 GLN HA H 4.182 0.010 1 687 1219 62 GLN HB2 H 2.018 0.010 1 688 1219 62 GLN HB3 H 2.065 0.010 1 689 1219 62 GLN HG2 H 2.352 0.010 2 690 1219 62 GLN HG3 H 2.352 0.010 2 691 1219 62 GLN HE21 H 6.701 0.010 1 692 1219 62 GLN HE22 H 7.396 0.010 1 693 1219 62 GLN CA C 56.583 0.200 1 694 1219 62 GLN CB C 29.196 0.200 1 695 1219 62 GLN CG C 34.071 0.200 1 696 1219 62 GLN N N 117.802 0.100 1 697 1219 62 GLN NE2 N 111.373 0.100 1 698 1220 63 SER HA H 4.396 0.010 1 699 1220 63 SER HB2 H 3.834 0.010 2 700 1220 63 SER HB3 H 3.834 0.010 2 701 1220 63 SER CA C 58.009 0.200 1 702 1220 63 SER CB C 63.667 0.200 1 703 1221 64 VAL H H 8.319 0.010 1 704 1221 64 VAL HA H 4.130 0.010 1 705 1221 64 VAL HB H 2.226 0.010 1 706 1221 64 VAL HG1 H 0.949 0.010 1 707 1221 64 VAL HG2 H 0.975 0.010 1 708 1221 64 VAL CA C 63.100 0.200 1 709 1221 64 VAL CB C 31.829 0.200 1 710 1221 64 VAL CG1 C 20.057 0.200 2 711 1221 64 VAL CG2 C 21.264 0.200 2 712 1221 64 VAL N N 121.484 0.100 1 713 1222 65 GLU H H 8.501 0.010 1 714 1222 65 GLU HA H 4.421 0.010 1 715 1222 65 GLU HB2 H 2.087 0.010 2 716 1222 65 GLU HB3 H 2.087 0.010 2 717 1222 65 GLU HG2 H 2.308 0.010 2 718 1222 65 GLU HG3 H 2.372 0.010 2 719 1222 65 GLU CA C 55.913 0.200 1 720 1222 65 GLU CB C 29.102 0.200 1 721 1222 65 GLU CG C 35.852 0.200 1 722 1222 65 GLU N N 120.603 0.100 1 723 1223 66 SER HA H 4.458 0.010 1 724 1223 66 SER HB2 H 3.977 0.010 1 725 1223 66 SER HB3 H 4.133 0.010 1 726 1223 66 SER CA C 59.723 0.200 1 727 1223 66 SER CB C 64.054 0.200 1 728 1224 67 VAL H H 8.672 0.010 1 729 1224 67 VAL HA H 4.045 0.010 1 730 1224 67 VAL HB H 2.013 0.010 1 731 1224 67 VAL HG1 H 0.758 0.010 1 732 1224 67 VAL HG2 H 0.783 0.010 1 733 1224 67 VAL CA C 64.747 0.200 1 734 1224 67 VAL CB C 31.275 0.200 1 735 1224 67 VAL CG1 C 20.812 0.200 2 736 1224 67 VAL CG2 C 20.678 0.200 2 737 1224 67 VAL N N 121.627 0.100 1 738 1225 68 TRP H H 7.794 0.010 1 739 1225 68 TRP HA H 4.483 0.010 1 740 1225 68 TRP HB2 H 3.199 0.010 1 741 1225 68 TRP HB3 H 3.276 0.010 1 742 1225 68 TRP HD1 H 7.285 0.010 1 743 1225 68 TRP HE1 H 9.600 0.010 1 744 1225 68 TRP HZ2 H 7.043 0.010 1 745 1225 68 TRP HZ3 H 7.387 0.010 1 746 1225 68 TRP HH2 H 7.636 0.010 1 747 1225 68 TRP CA C 60.041 0.200 1 748 1225 68 TRP CB C 29.585 0.200 1 749 1225 68 TRP CD1 C 126.388 0.200 1 750 1225 68 TRP CZ2 C 116.259 0.200 1 751 1225 68 TRP CZ3 C 118.300 0.200 1 752 1225 68 TRP CH2 C 121.222 0.200 1 753 1225 68 TRP N N 122.037 0.100 1 754 1225 68 TRP NE1 N 127.868 0.100 1 755 1226 69 ASN H H 7.816 0.010 1 756 1226 69 ASN HA H 4.351 0.010 1 757 1226 69 ASN HB2 H 2.979 0.010 2 758 1226 69 ASN HB3 H 2.979 0.010 2 759 1226 69 ASN HD21 H 7.231 0.010 1 760 1226 69 ASN HD22 H 7.651 0.010 1 761 1226 69 ASN CA C 57.548 0.200 1 762 1226 69 ASN CB C 38.948 0.200 1 763 1226 69 ASN N N 118.842 0.100 1 764 1226 69 ASN ND2 N 113.709 0.100 1 765 1227 70 MET H H 7.757 0.010 1 766 1227 70 MET HA H 4.342 0.010 1 767 1227 70 MET HB2 H 2.137 0.010 2 768 1227 70 MET HB3 H 2.137 0.010 2 769 1227 70 MET HG2 H 2.631 0.010 1 770 1227 70 MET HG3 H 2.733 0.010 1 771 1227 70 MET HE H 2.062 0.010 1 772 1227 70 MET CA C 58.337 0.200 1 773 1227 70 MET CB C 32.612 0.200 1 774 1227 70 MET CG C 32.350 0.200 1 775 1227 70 MET CE C 17.166 0.200 1 776 1227 70 MET N N 117.265 0.100 1 777 1228 71 ALA H H 7.926 0.010 1 778 1228 71 ALA HA H 4.216 0.010 1 779 1228 71 ALA HB H 1.544 0.010 1 780 1228 71 ALA CA C 55.502 0.200 1 781 1228 71 ALA CB C 17.287 0.200 1 782 1228 71 ALA N N 123.669 0.100 1 783 1229 72 PHE H H 8.432 0.010 1 784 1229 72 PHE HA H 4.140 0.010 1 785 1229 72 PHE HB2 H 3.148 0.010 1 786 1229 72 PHE HB3 H 3.599 0.010 1 787 1229 72 PHE HD1 H 7.450 0.010 3 788 1229 72 PHE HD2 H 7.450 0.010 3 789 1229 72 PHE CA C 63.129 0.200 1 790 1229 72 PHE CB C 38.238 0.200 1 791 1229 72 PHE CD2 C 131.228 0.200 1 792 1229 72 PHE N N 117.960 0.100 1 793 1230 73 ASP H H 7.712 0.010 1 794 1230 73 ASP HA H 4.193 0.010 1 795 1230 73 ASP HB2 H 2.731 0.010 2 796 1230 73 ASP HB3 H 2.804 0.010 2 797 1230 73 ASP CA C 57.748 0.200 1 798 1230 73 ASP CB C 40.084 0.200 1 799 1230 73 ASP N N 118.034 0.100 1 800 1231 74 PHE H H 7.979 0.010 1 801 1231 74 PHE HA H 4.259 0.010 1 802 1231 74 PHE HB2 H 3.253 0.010 2 803 1231 74 PHE HB3 H 3.348 0.010 2 804 1231 74 PHE HD1 H 7.139 0.010 3 805 1231 74 PHE HD2 H 7.139 0.010 3 806 1231 74 PHE CA C 61.291 0.200 1 807 1231 74 PHE CB C 39.403 0.200 1 808 1231 74 PHE CD2 C 131.554 0.200 1 809 1231 74 PHE N N 119.975 0.100 1 810 1232 75 ILE H H 8.634 0.010 1 811 1232 75 ILE HA H 3.395 0.010 1 812 1232 75 ILE HB H 1.912 0.010 1 813 1232 75 ILE HG12 H 1.067 0.010 1 814 1232 75 ILE HG13 H 2.229 0.010 1 815 1232 75 ILE HG2 H 0.833 0.010 1 816 1232 75 ILE HD1 H 1.227 0.010 1 817 1232 75 ILE CA C 66.198 0.200 1 818 1232 75 ILE CB C 38.694 0.200 1 819 1232 75 ILE CG1 C 30.471 0.200 1 820 1232 75 ILE CG2 C 16.890 0.200 1 821 1232 75 ILE CD1 C 14.618 0.200 1 822 1232 75 ILE N N 122.885 0.100 1 823 1233 76 LEU H H 8.730 0.010 1 824 1233 76 LEU HA H 3.695 0.010 1 825 1233 76 LEU HB2 H 0.810 0.010 2 826 1233 76 LEU HB3 H 1.551 0.010 2 827 1233 76 LEU HG H 1.535 0.010 1 828 1233 76 LEU HD1 H 0.855 0.010 1 829 1233 76 LEU HD2 H 0.941 0.010 1 830 1233 76 LEU CA C 58.110 0.200 1 831 1233 76 LEU CB C 40.850 0.200 1 832 1233 76 LEU CG C 26.934 0.200 1 833 1233 76 LEU CD1 C 23.530 0.200 2 834 1233 76 LEU CD2 C 25.949 0.200 2 835 1233 76 LEU N N 119.274 0.100 1 836 1234 77 ASP H H 8.356 0.010 1 837 1234 77 ASP HA H 4.224 0.010 1 838 1234 77 ASP HB2 H 2.459 0.010 1 839 1234 77 ASP HB3 H 2.706 0.010 1 840 1234 77 ASP CA C 57.707 0.200 1 841 1234 77 ASP CB C 40.839 0.200 1 842 1234 77 ASP N N 117.890 0.100 1 843 1235 78 ASN H H 7.408 0.010 1 844 1235 78 ASN HA H 4.112 0.010 1 845 1235 78 ASN HB2 H 2.239 0.010 1 846 1235 78 ASN HB3 H 2.615 0.010 1 847 1235 78 ASN HD21 H 5.460 0.010 1 848 1235 78 ASN HD22 H 6.736 0.010 1 849 1235 78 ASN CA C 57.274 0.200 1 850 1235 78 ASN CB C 40.008 0.200 1 851 1235 78 ASN N N 115.370 0.100 1 852 1235 78 ASN ND2 N 112.706 0.100 1 853 1236 79 VAL H H 8.287 0.010 1 854 1236 79 VAL HA H 3.379 0.010 1 855 1236 79 VAL HB H 2.265 0.010 1 856 1236 79 VAL HG1 H 0.909 0.010 1 857 1236 79 VAL HG2 H 1.062 0.010 1 858 1236 79 VAL CA C 67.075 0.200 1 859 1236 79 VAL CB C 31.980 0.200 1 860 1236 79 VAL CG1 C 22.045 0.200 2 861 1236 79 VAL CG2 C 24.056 0.200 2 862 1236 79 VAL N N 120.136 0.100 1 863 1237 80 GLN H H 8.893 0.010 1 864 1237 80 GLN HA H 4.457 0.010 1 865 1237 80 GLN HB2 H 2.039 0.010 1 866 1237 80 GLN HB3 H 2.195 0.010 1 867 1237 80 GLN HG2 H 2.433 0.010 1 868 1237 80 GLN HG3 H 2.501 0.010 1 869 1237 80 GLN HE21 H 7.215 0.010 1 870 1237 80 GLN HE22 H 7.366 0.010 1 871 1237 80 GLN CA C 59.104 0.200 1 872 1237 80 GLN CB C 28.604 0.200 1 873 1237 80 GLN CG C 33.053 0.200 1 874 1237 80 GLN N N 118.341 0.100 1 875 1237 80 GLN NE2 N 110.300 0.100 1 876 1238 81 VAL H H 7.667 0.010 1 877 1238 81 VAL HA H 3.693 0.010 1 878 1238 81 VAL HB H 2.078 0.010 1 879 1238 81 VAL HG1 H 0.877 0.010 1 880 1238 81 VAL HG2 H 1.020 0.010 1 881 1238 81 VAL CA C 66.617 0.200 1 882 1238 81 VAL CB C 31.889 0.200 1 883 1238 81 VAL CG1 C 21.004 0.200 2 884 1238 81 VAL CG2 C 22.741 0.200 2 885 1238 81 VAL N N 118.627 0.100 1 886 1239 82 VAL H H 7.284 0.010 1 887 1239 82 VAL HA H 3.736 0.010 1 888 1239 82 VAL HB H 2.026 0.010 1 889 1239 82 VAL HG1 H 0.977 0.010 1 890 1239 82 VAL HG2 H 1.048 0.010 1 891 1239 82 VAL CA C 66.380 0.200 1 892 1239 82 VAL CB C 31.852 0.200 1 893 1239 82 VAL CG1 C 22.282 0.200 2 894 1239 82 VAL CG2 C 22.650 0.200 2 895 1239 82 VAL N N 120.262 0.100 1 896 1240 83 LEU H H 8.859 0.010 1 897 1240 83 LEU HA H 4.022 0.010 1 898 1240 83 LEU HB2 H 1.836 0.010 2 899 1240 83 LEU HB3 H 1.836 0.010 2 900 1240 83 LEU HG H 1.755 0.010 1 901 1240 83 LEU HD1 H 0.785 0.010 1 902 1240 83 LEU HD2 H 0.841 0.010 1 903 1240 83 LEU CA C 59.026 0.200 1 904 1240 83 LEU CB C 42.064 0.200 1 905 1240 83 LEU CG C 26.871 0.200 1 906 1240 83 LEU CD1 C 24.984 0.200 2 907 1240 83 LEU CD2 C 26.562 0.200 2 908 1240 83 LEU N N 124.290 0.100 1 909 1241 84 GLN H H 8.511 0.010 1 910 1241 84 GLN HA H 3.953 0.010 1 911 1241 84 GLN HB2 H 2.098 0.010 2 912 1241 84 GLN HB3 H 2.171 0.010 2 913 1241 84 GLN HG2 H 2.319 0.010 2 914 1241 84 GLN HG3 H 2.319 0.010 2 915 1241 84 GLN HE21 H 6.703 0.010 1 916 1241 84 GLN HE22 H 7.348 0.010 1 917 1241 84 GLN CA C 59.278 0.200 1 918 1241 84 GLN CB C 28.258 0.200 1 919 1241 84 GLN CG C 33.993 0.200 1 920 1241 84 GLN N N 119.741 0.100 1 921 1241 84 GLN NE2 N 111.039 0.100 1 922 1242 85 GLN H H 8.065 0.010 1 923 1242 85 GLN HA H 4.050 0.010 1 924 1242 85 GLN HB2 H 2.099 0.010 1 925 1242 85 GLN HB3 H 2.208 0.010 1 926 1242 85 GLN HG2 H 2.425 0.010 1 927 1242 85 GLN HG3 H 2.545 0.010 1 928 1242 85 GLN HE21 H 6.781 0.010 1 929 1242 85 GLN HE22 H 7.427 0.010 1 930 1242 85 GLN CA C 58.048 0.200 1 931 1242 85 GLN CB C 28.572 0.200 1 932 1242 85 GLN CG C 33.979 0.200 1 933 1242 85 GLN N N 117.639 0.100 1 934 1242 85 GLN NE2 N 111.296 0.100 1 935 1243 86 THR H H 7.998 0.010 1 936 1243 86 THR HA H 3.979 0.010 1 937 1243 86 THR HB H 3.754 0.010 1 938 1243 86 THR HG1 H 4.861 0.010 1 939 1243 86 THR HG2 H 0.622 0.010 1 940 1243 86 THR CA C 65.205 0.200 1 941 1243 86 THR CB C 69.822 0.200 1 942 1243 86 THR CG2 C 20.872 0.200 1 943 1243 86 THR N N 112.945 0.100 1 944 1244 87 TYR H H 8.482 0.010 1 945 1244 87 TYR HA H 4.710 0.010 1 946 1244 87 TYR HB2 H 2.755 0.010 1 947 1244 87 TYR HB3 H 3.255 0.010 1 948 1244 87 TYR HD1 H 7.151 0.010 3 949 1244 87 TYR HD2 H 7.151 0.010 3 950 1244 87 TYR HE1 H 6.810 0.010 3 951 1244 87 TYR HE2 H 6.810 0.010 3 952 1244 87 TYR CA C 58.456 0.200 1 953 1244 87 TYR CB C 40.501 0.200 1 954 1244 87 TYR CD1 C 132.865 0.200 1 955 1244 87 TYR CE1 C 118.583 0.200 1 956 1244 87 TYR N N 118.052 0.100 1 957 1245 88 GLY H H 8.031 0.010 1 958 1245 88 GLY HA2 H 4.059 0.010 1 959 1245 88 GLY HA3 H 4.117 0.010 1 960 1245 88 GLY C C 173.778 0.200 1 961 1245 88 GLY CA C 46.185 0.200 1 962 1245 88 GLY N N 109.802 0.100 1 963 1246 89 SER H H 7.613 0.010 1 964 1246 89 SER HA H 4.640 0.010 1 965 1246 89 SER HB2 H 3.729 0.010 2 966 1246 89 SER HB3 H 3.799 0.010 2 967 1246 89 SER CA C 57.390 0.200 1 968 1246 89 SER CB C 64.874 0.200 1 969 1246 89 SER N N 113.912 0.100 1 970 1247 90 THR H H 7.906 0.010 1 971 1247 90 THR HA H 4.423 0.010 1 972 1247 90 THR HB H 4.226 0.010 1 973 1247 90 THR HG2 H 1.169 0.010 1 974 1247 90 THR CA C 61.054 0.200 1 975 1247 90 THR CB C 70.455 0.200 1 976 1247 90 THR CG2 C 22.118 0.200 1 977 1247 90 THR N N 110.018 0.100 1 978 1248 91 LEU H H 9.065 0.010 1 979 1248 91 LEU HA H 4.290 0.010 1 980 1248 91 LEU HB2 H 1.468 0.010 2 981 1248 91 LEU HB3 H 1.468 0.010 2 982 1248 91 LEU HG H 1.507 0.010 1 983 1248 91 LEU HD1 H 0.748 0.010 1 984 1248 91 LEU HD2 H 0.774 0.010 1 985 1248 91 LEU CA C 55.041 0.200 1 986 1248 91 LEU CB C 42.730 0.200 1 987 1248 91 LEU CG C 26.786 0.200 1 988 1248 91 LEU CD1 C 23.982 0.200 1 989 1248 91 LEU CD2 C 24.997 0.200 1 990 1248 91 LEU N N 124.341 0.100 1 991 1249 92 LYS H H 8.677 0.010 1 992 1249 92 LYS HA H 4.392 0.010 1 993 1249 92 LYS HB2 H 1.698 0.010 2 994 1249 92 LYS HB3 H 1.779 0.010 2 995 1249 92 LYS HG2 H 1.313 0.010 2 996 1249 92 LYS HG3 H 1.386 0.010 2 997 1249 92 LYS HD2 H 1.628 0.010 2 998 1249 92 LYS HD3 H 1.628 0.010 2 999 1249 92 LYS HE2 H 2.943 0.010 2 1000 1249 92 LYS HE3 H 2.943 0.010 2 1001 1249 92 LYS CA C 55.891 0.200 1 1002 1249 92 LYS CB C 32.504 0.200 1 1003 1249 92 LYS CG C 24.738 0.200 1 1004 1249 92 LYS CD C 29.055 0.200 1 1005 1249 92 LYS CE C 42.157 0.200 1 1006 1249 92 LYS N N 125.149 0.100 1 1007 1250 93 VAL H H 8.386 0.010 1 1008 1250 93 VAL HA H 4.247 0.010 1 1009 1250 93 VAL HB H 2.130 0.010 1 1010 1250 93 VAL HG1 H 0.927 0.010 1 1011 1250 93 VAL HG2 H 0.900 0.010 1 1012 1250 93 VAL C C 175.224 0.200 1 1013 1250 93 VAL CA C 62.047 0.200 1 1014 1250 93 VAL CB C 32.874 0.200 1 1015 1250 93 VAL CG1 C 21.743 0.200 2 1016 1250 93 VAL CG2 C 20.670 0.200 2 1017 1250 93 VAL N N 122.975 0.100 1 1018 1251 94 THR H H 7.784 0.010 1 1019 1251 94 THR HA H 4.129 0.010 1 1020 1251 94 THR HB H 4.198 0.010 1 1021 1251 94 THR HG1 H 4.395 0.010 1 1022 1251 94 THR HG2 H 1.123 0.010 1 1023 1251 94 THR CA C 63.066 0.200 1 1024 1251 94 THR CB C 70.606 0.200 1 1025 1251 94 THR CG2 C 22.222 0.200 1 1026 1251 94 THR N N 122.434 0.100 1 stop_ save_