data_18434 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-terminal domain of human REV1 in complex with DNA-polymerase H (eta) ; _BMRB_accession_number 18434 _BMRB_flat_file_name bmr18434.str _Entry_type original _Submission_date 2012-05-01 _Accession_date 2012-05-01 _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 Pozhidaeva Alexandra . . 2 Pustovalova Yulia . . 3 Pustovalova 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" 509 "13C chemical shifts" 382 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-08 update BMRB 'update entry citation' 2012-06-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18455 'C-terminal domain of human REV1 (free form)' 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 'C-terminal domain of human REV1 in complex with DNA-polymerase H (eta)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal domain of human REV1' $REV1 'DNA-polymerase H (eta)' $DNA-polymerase 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _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 18455 entity 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_ save_DNA-polymerase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1826.117 _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence QSTGTEPFFKQKSLLL loop_ _Residue_seq_code _Residue_label 1 GLN 2 SER 3 THR 4 GLY 5 THR 6 GLU 7 PRO 8 PHE 9 PHE 10 LYS 11 GLN 12 LYS 13 SER 14 LEU 15 LEU 16 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2LSK "C-terminal Domain Of Human Rev1 In Complex With Dna-polymerase H (eta)" 100.00 16 100.00 100.00 8.23e-01 DBJ BAA81666 "DNA polymerase eta [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 DBJ BAB18601 "DNA polymerase eta [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 DBJ BAG51237 "unnamed protein product [Homo sapiens]" 100.00 701 100.00 100.00 2.25e+00 DBJ BAG53738 "unnamed protein product [Homo sapiens]" 100.00 617 100.00 100.00 2.29e+00 DBJ BAG57675 "unnamed protein product [Homo sapiens]" 100.00 651 100.00 100.00 2.36e+00 GB AAD43810 "xeroderma pigmentosum variant RAD30 [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 GB AAQ81300 "polymerase (DNA directed), eta [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 GB ACQ91143 "truncated DNA polymerase eta [Homo sapiens]" 100.00 168 100.00 100.00 1.10e+00 GB EAX04210 "polymerase (DNA directed), eta, isoform CRA_b [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 GB EAX04211 "polymerase (DNA directed), eta, isoform CRA_b [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 REF NP_001278898 "DNA polymerase eta isoform 2 [Homo sapiens]" 100.00 589 100.00 100.00 2.51e+00 REF NP_006493 "DNA polymerase eta isoform 1 [Homo sapiens]" 100.00 713 100.00 100.00 2.30e+00 REF XP_003833292 "PREDICTED: LOW QUALITY PROTEIN: DNA polymerase eta [Pan paniscus]" 100.00 713 100.00 100.00 2.30e+00 REF XP_004048392 "PREDICTED: DNA polymerase eta-like [Gorilla gorilla gorilla]" 100.00 323 100.00 100.00 1.89e+00 REF XP_005249243 "PREDICTED: DNA polymerase eta isoform X1 [Homo sapiens]" 100.00 651 100.00 100.00 2.36e+00 SP Q9Y253 "RecName: Full=DNA polymerase eta; AltName: Full=RAD30 homolog A; AltName: Full=Xeroderma pigmentosum variant type protein [Homo" 100.00 713 100.00 100.00 2.30e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $REV1 Human 9606 Eukaryota Metazoa Homo sapiens $DNA-polymerase 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 'recombinant technology' . Escherichia coli . pET28b $DNA-polymerase 'recombinant technology' . Escherichia coli . 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 $REV1 0.9 mM '[U-99% 13C; U-99% 15N]' $DNA-polymerase 0.9 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ 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_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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cara _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Kurt W thrich' . . 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 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 500 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' '2D 1H-13C HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '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 'C-terminal domain of human REV1' _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 5.145 0.000 1 2 1158 2 ASN HB2 H 2.448 0.000 2 3 1158 2 ASN HB3 H 1.919 0.000 2 4 1158 2 ASN HD21 H 6.680 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 52.551 0.000 1 8 1158 2 ASN CB C 42.826 0.000 1 9 1158 2 ASN ND2 N 114.481 0.000 1 10 1159 3 LEU H H 8.454 0.000 1 11 1159 3 LEU HA H 4.014 0.000 1 12 1159 3 LEU HB2 H 1.253 0.000 2 13 1159 3 LEU HB3 H 1.116 0.000 2 14 1159 3 LEU C C 174.339 0.000 1 15 1159 3 LEU CA C 55.116 0.000 1 16 1159 3 LEU CB C 42.153 0.000 1 17 1159 3 LEU N N 125.079 0.000 1 18 1160 4 ALA H H 8.948 0.000 1 19 1160 4 ALA HA H 3.659 0.000 1 20 1160 4 ALA HB H 1.218 0.000 1 21 1160 4 ALA C C 176.853 0.000 1 22 1160 4 ALA CA C 52.429 0.000 1 23 1160 4 ALA CB C 18.495 0.000 1 24 1160 4 ALA N N 126.990 0.000 1 25 1161 5 GLY H H 8.077 0.000 1 26 1161 5 GLY HA2 H 4.088 0.000 2 27 1161 5 GLY HA3 H 3.207 0.000 2 28 1161 5 GLY C C 173.870 0.000 1 29 1161 5 GLY CA C 44.788 0.000 1 30 1161 5 GLY N N 103.488 0.000 1 31 1162 6 ALA H H 8.049 0.000 1 32 1162 6 ALA HA H 4.184 0.000 1 33 1162 6 ALA HB H 1.129 0.000 1 34 1162 6 ALA C C 175.513 0.000 1 35 1162 6 ALA CA C 52.209 0.000 1 36 1162 6 ALA CB C 19.138 0.000 1 37 1162 6 ALA N N 125.570 0.000 1 38 1163 7 VAL H H 8.513 0.000 1 39 1163 7 VAL HA H 4.219 0.000 1 40 1163 7 VAL HB H 1.767 0.000 1 41 1163 7 VAL HG1 H 0.818 0.000 2 42 1163 7 VAL C C 177.012 0.000 1 43 1163 7 VAL CA C 62.566 0.000 1 44 1163 7 VAL CB C 35.120 0.000 1 45 1163 7 VAL CG1 C 20.764 0.000 2 46 1163 7 VAL N N 119.973 0.000 1 47 1164 8 GLU H H 8.744 0.000 1 48 1164 8 GLU HA H 4.117 0.000 1 49 1164 8 GLU HB2 H 2.143 0.000 2 50 1164 8 GLU HB3 H 1.859 0.000 2 51 1164 8 GLU HG2 H 2.381 0.000 2 52 1164 8 GLU HG3 H 2.263 0.000 2 53 1164 8 GLU CA C 56.095 0.000 1 54 1164 8 GLU CB C 29.073 0.000 1 55 1164 8 GLU CG C 35.941 0.000 1 56 1164 8 GLU N N 122.199 0.000 1 57 1165 9 PHE HB2 H 3.104 0.000 2 58 1165 9 PHE HB3 H 2.845 0.000 2 59 1165 9 PHE HD1 H 7.064 0.000 3 60 1165 9 PHE HD2 H 7.064 0.000 3 61 1165 9 PHE CA C 61.353 0.000 1 62 1165 9 PHE CB C 38.684 0.000 1 63 1165 9 PHE CD1 C 131.738 0.000 3 64 1165 9 PHE CD2 C 131.738 0.000 3 65 1166 10 ASN H H 9.114 0.000 1 66 1166 10 ASN HA H 3.843 0.000 1 67 1166 10 ASN HB2 H 2.601 0.000 2 68 1166 10 ASN HB3 H 2.545 0.000 2 69 1166 10 ASN HD21 H 7.070 0.000 2 70 1166 10 ASN HD22 H 7.488 0.000 2 71 1166 10 ASN C C 177.440 0.000 1 72 1166 10 ASN CA C 56.514 0.000 1 73 1166 10 ASN CB C 37.608 0.000 1 74 1166 10 ASN N N 114.754 0.000 1 75 1166 10 ASN ND2 N 113.528 0.000 1 76 1167 11 ASP H H 7.004 0.000 1 77 1167 11 ASP HA H 4.324 0.000 1 78 1167 11 ASP HB2 H 2.687 0.000 2 79 1167 11 ASP HB3 H 2.583 0.000 2 80 1167 11 ASP C C 178.137 0.000 1 81 1167 11 ASP CA C 56.667 0.000 1 82 1167 11 ASP CB C 40.124 0.000 1 83 1167 11 ASP N N 118.763 0.000 1 84 1168 12 VAL H H 7.814 0.000 1 85 1168 12 VAL HA H 3.084 0.000 1 86 1168 12 VAL HB H 1.868 0.000 1 87 1168 12 VAL HG1 H 0.578 0.000 2 88 1168 12 VAL HG2 H 0.541 0.000 2 89 1168 12 VAL C C 177.176 0.000 1 90 1168 12 VAL CA C 67.089 0.000 1 91 1168 12 VAL CB C 31.931 0.000 1 92 1168 12 VAL CG1 C 21.960 0.000 2 93 1168 12 VAL CG2 C 20.049 0.000 2 94 1168 12 VAL N N 124.012 0.000 1 95 1169 13 LYS H H 8.183 0.000 1 96 1169 13 LYS HA H 3.292 0.000 1 97 1169 13 LYS HB2 H 0.949 0.000 2 98 1169 13 LYS HB3 H 0.833 0.000 2 99 1169 13 LYS HG2 H 0.163 0.000 2 100 1169 13 LYS HG3 H -0.061 0.000 2 101 1169 13 LYS HE2 H 2.115 0.000 2 102 1169 13 LYS HE3 H 2.115 0.000 2 103 1169 13 LYS C C 177.966 0.000 1 104 1169 13 LYS CA C 60.351 0.000 1 105 1169 13 LYS CB C 31.226 0.000 1 106 1169 13 LYS CG C 24.165 0.000 1 107 1169 13 LYS CE C 42.635 0.000 1 108 1169 13 LYS N N 117.874 0.000 1 109 1170 14 THR H H 7.340 0.000 1 110 1170 14 THR HA H 3.662 0.000 1 111 1170 14 THR HB H 4.112 0.000 1 112 1170 14 THR HG2 H 1.094 0.000 1 113 1170 14 THR C C 175.508 0.000 1 114 1170 14 THR CA C 66.597 0.000 1 115 1170 14 THR CB C 68.679 0.000 1 116 1170 14 THR CG2 C 21.760 0.000 1 117 1170 14 THR N N 115.787 0.000 1 118 1171 15 LEU H H 7.410 0.000 1 119 1171 15 LEU HA H 4.222 0.000 1 120 1171 15 LEU HB2 H 1.807 0.000 2 121 1171 15 LEU HB3 H 1.580 0.000 2 122 1171 15 LEU HD1 H 0.801 0.000 2 123 1171 15 LEU HD2 H 0.861 0.000 2 124 1171 15 LEU CA C 58.127 0.000 1 125 1171 15 LEU CB C 43.088 0.000 1 126 1171 15 LEU CD1 C 26.766 0.000 2 127 1171 15 LEU CD2 C 25.866 0.000 2 128 1171 15 LEU N N 122.804 0.000 1 129 1172 16 LEU H H 8.393 0.000 1 130 1172 16 LEU HA H 4.213 0.000 1 131 1172 16 LEU HB2 H 1.142 0.000 2 132 1172 16 LEU HB3 H 1.142 0.000 2 133 1172 16 LEU HG H 0.147 0.000 1 134 1172 16 LEU HD1 H -0.189 0.000 2 135 1172 16 LEU HD2 H 0.980 0.000 2 136 1172 16 LEU C C 178.008 0.000 1 137 1172 16 LEU CA C 52.585 0.000 1 138 1172 16 LEU CB C 42.160 0.000 1 139 1172 16 LEU CG C 26.017 0.000 1 140 1172 16 LEU CD1 C 21.678 0.000 2 141 1172 16 LEU CD2 C 23.530 0.000 2 142 1172 16 LEU N N 117.615 0.000 1 143 1173 17 ARG H H 8.590 0.000 1 144 1173 17 ARG HA H 3.653 0.000 1 145 1173 17 ARG HB2 H 1.820 0.000 2 146 1173 17 ARG HB3 H 2.224 0.000 2 147 1173 17 ARG HG2 H 1.336 0.000 2 148 1173 17 ARG HG3 H 1.336 0.000 2 149 1173 17 ARG HD2 H 3.047 0.000 2 150 1173 17 ARG HD3 H 3.047 0.000 2 151 1173 17 ARG C C 179.433 0.000 1 152 1173 17 ARG CA C 59.798 0.000 1 153 1173 17 ARG CB C 29.207 0.000 1 154 1173 17 ARG CG C 27.526 0.000 1 155 1173 17 ARG CD C 43.138 0.000 1 156 1173 17 ARG N N 117.438 0.000 1 157 1174 18 GLU C C 178.027 0.000 1 158 1175 19 TRP H H 8.089 0.000 1 159 1175 19 TRP HA H 3.735 0.000 1 160 1175 19 TRP HB2 H 2.303 0.000 2 161 1175 19 TRP HB3 H 2.172 0.000 2 162 1175 19 TRP HD1 H 7.170 0.000 1 163 1175 19 TRP HE1 H 9.392 0.000 1 164 1175 19 TRP HZ2 H 6.972 0.000 1 165 1175 19 TRP CA C 59.783 0.000 1 166 1175 19 TRP CB C 29.160 0.000 1 167 1175 19 TRP CD1 C 126.838 0.000 1 168 1175 19 TRP CZ2 C 116.509 0.000 1 169 1175 19 TRP N N 122.274 0.000 1 170 1175 19 TRP NE1 N 127.623 0.000 1 171 1176 20 ILE HA H 2.326 0.000 1 172 1176 20 ILE HB H 0.780 0.000 1 173 1176 20 ILE HG2 H -0.548 0.000 1 174 1176 20 ILE HD1 H 0.377 0.000 1 175 1176 20 ILE C C 176.971 0.000 1 176 1176 20 ILE CA C 62.445 0.000 1 177 1176 20 ILE CB C 38.380 0.000 1 178 1176 20 ILE CG2 C 16.624 0.000 1 179 1176 20 ILE CD1 C 15.996 0.000 1 180 1177 21 THR H H 7.553 0.000 1 181 1177 21 THR HA H 3.902 0.000 1 182 1177 21 THR HB H 4.051 0.000 1 183 1177 21 THR HG2 H 1.001 0.000 1 184 1177 21 THR C C 176.217 0.000 1 185 1177 21 THR CA C 63.363 0.000 1 186 1177 21 THR CB C 70.129 0.000 1 187 1177 21 THR CG2 C 20.999 0.000 1 188 1177 21 THR N N 105.418 0.000 1 189 1178 22 THR H H 7.328 0.000 1 190 1178 22 THR HA H 4.403 0.000 1 191 1178 22 THR HB H 4.128 0.000 1 192 1178 22 THR HG2 H 1.179 0.000 1 193 1178 22 THR C C 174.437 0.000 1 194 1178 22 THR CA C 62.972 0.000 1 195 1178 22 THR CB C 70.871 0.000 1 196 1178 22 THR CG2 C 20.969 0.000 1 197 1178 22 THR N N 110.605 0.000 1 198 1179 23 ILE H H 7.402 0.000 1 199 1179 23 ILE HA H 4.335 0.000 1 200 1179 23 ILE HB H 2.368 0.000 1 201 1179 23 ILE HG2 H 0.701 0.000 1 202 1179 23 ILE HD1 H 0.846 0.000 1 203 1179 23 ILE CA C 58.230 0.000 1 204 1179 23 ILE CB C 36.086 0.000 1 205 1179 23 ILE CG2 C 17.989 0.000 1 206 1179 23 ILE CD1 C 10.683 0.000 1 207 1179 23 ILE N N 124.372 0.000 1 208 1180 24 SER H H 8.348 0.000 1 209 1180 24 SER HA H 4.355 0.000 1 210 1180 24 SER HB2 H 3.693 0.000 2 211 1180 24 SER HB3 H 3.693 0.000 2 212 1180 24 SER CA C 59.464 0.000 1 213 1180 24 SER CB C 63.436 0.000 1 214 1180 24 SER N N 120.180 0.000 1 215 1181 25 ASP H H 7.119 0.000 1 216 1181 25 ASP HA H 4.652 0.000 1 217 1181 25 ASP HB2 H 2.350 0.000 2 218 1181 25 ASP HB3 H 2.148 0.000 2 219 1181 25 ASP CA C 50.614 0.000 1 220 1181 25 ASP CB C 41.518 0.000 1 221 1181 25 ASP N N 119.457 0.000 1 222 1182 26 PRO HA H 3.911 0.000 1 223 1182 26 PRO HB2 H 1.872 0.000 2 224 1182 26 PRO HB3 H 1.872 0.000 2 225 1182 26 PRO HG2 H 1.010 0.000 2 226 1182 26 PRO HG3 H 0.638 0.000 2 227 1182 26 PRO HD2 H 2.946 0.000 2 228 1182 26 PRO HD3 H 1.663 0.000 2 229 1182 26 PRO C C 176.609 0.000 1 230 1182 26 PRO CA C 64.574 0.000 1 231 1182 26 PRO CB C 30.950 0.000 1 232 1182 26 PRO CG C 20.246 0.000 1 233 1182 26 PRO CD C 49.615 0.000 1 234 1183 27 MET H H 9.455 0.000 1 235 1183 27 MET HA H 4.256 0.000 1 236 1183 27 MET HB2 H 2.733 0.000 2 237 1183 27 MET HB3 H 2.510 0.000 2 238 1183 27 MET C C 177.959 0.000 1 239 1183 27 MET CA C 55.640 0.000 1 240 1183 27 MET CB C 32.756 0.000 1 241 1183 27 MET N N 122.527 0.000 1 242 1184 28 GLU H H 9.024 0.000 1 243 1184 28 GLU HA H 3.667 0.000 1 244 1184 28 GLU HB2 H 1.952 0.000 2 245 1184 28 GLU HB3 H 1.822 0.000 2 246 1184 28 GLU HG2 H 2.018 0.000 2 247 1184 28 GLU HG3 H 1.984 0.000 2 248 1184 28 GLU C C 177.939 0.000 1 249 1184 28 GLU CA C 60.204 0.000 1 250 1184 28 GLU CB C 29.722 0.000 1 251 1184 28 GLU CG C 36.214 0.000 1 252 1184 28 GLU N N 126.437 0.000 1 253 1185 29 GLU H H 9.772 0.000 1 254 1185 29 GLU HA H 3.856 0.000 1 255 1185 29 GLU HB2 H 1.869 0.000 2 256 1185 29 GLU HB3 H 1.828 0.000 2 257 1185 29 GLU HG2 H 2.250 0.000 2 258 1185 29 GLU HG3 H 2.188 0.000 2 259 1185 29 GLU C C 178.712 0.000 1 260 1185 29 GLU CA C 60.281 0.000 1 261 1185 29 GLU CB C 29.904 0.000 1 262 1185 29 GLU CG C 36.858 0.000 1 263 1185 29 GLU N N 116.297 0.000 1 264 1186 30 ASP H H 7.065 0.000 1 265 1186 30 ASP HA H 4.422 0.000 1 266 1186 30 ASP HB2 H 2.994 0.000 2 267 1186 30 ASP HB3 H 2.785 0.000 2 268 1186 30 ASP C C 177.470 0.000 1 269 1186 30 ASP CA C 57.318 0.000 1 270 1186 30 ASP CB C 39.515 0.000 1 271 1186 30 ASP N N 117.616 0.000 1 272 1187 31 ILE H H 7.901 0.000 1 273 1187 31 ILE HA H 3.736 0.000 1 274 1187 31 ILE HB H 1.950 0.000 1 275 1187 31 ILE HG2 H 0.934 0.000 1 276 1187 31 ILE HD1 H 0.585 0.000 1 277 1187 31 ILE C C 179.042 0.000 1 278 1187 31 ILE CA C 66.421 0.000 1 279 1187 31 ILE CB C 38.162 0.000 1 280 1187 31 ILE CG2 C 18.268 0.000 1 281 1187 31 ILE CD1 C 13.291 0.000 1 282 1187 31 ILE N N 121.352 0.000 1 283 1188 32 LEU H H 8.663 0.000 1 284 1188 32 LEU HA H 3.977 0.000 1 285 1188 32 LEU HB2 H 1.768 0.000 2 286 1188 32 LEU HB3 H 1.396 0.000 2 287 1188 32 LEU HG H 1.737 0.000 1 288 1188 32 LEU HD1 H 0.796 0.000 2 289 1188 32 LEU HD2 H 0.875 0.000 2 290 1188 32 LEU C C 179.959 0.000 1 291 1188 32 LEU CA C 57.833 0.000 1 292 1188 32 LEU CB C 40.840 0.000 1 293 1188 32 LEU CG C 27.030 0.000 1 294 1188 32 LEU CD1 C 25.078 0.000 2 295 1188 32 LEU CD2 C 22.049 0.000 2 296 1188 32 LEU N N 117.065 0.000 1 297 1189 33 GLN H H 7.584 0.000 1 298 1189 33 GLN HA H 3.964 0.000 1 299 1189 33 GLN HB2 H 2.190 0.000 2 300 1189 33 GLN HB3 H 1.833 0.000 2 301 1189 33 GLN HG2 H 2.342 0.000 2 302 1189 33 GLN HG3 H 2.127 0.000 2 303 1189 33 GLN HE21 H 6.790 0.000 2 304 1189 33 GLN HE22 H 7.363 0.000 2 305 1189 33 GLN C C 179.040 0.000 1 306 1189 33 GLN CA C 59.209 0.000 1 307 1189 33 GLN CB C 28.001 0.000 1 308 1189 33 GLN CG C 34.106 0.000 1 309 1189 33 GLN N N 120.819 0.000 1 310 1189 33 GLN NE2 N 111.932 0.000 1 311 1190 34 VAL H H 7.645 0.000 1 312 1190 34 VAL HA H 3.430 0.000 1 313 1190 34 VAL HB H 2.289 0.000 1 314 1190 34 VAL HG1 H 0.665 0.000 2 315 1190 34 VAL HG2 H 0.997 0.000 2 316 1190 34 VAL C C 178.345 0.000 1 317 1190 34 VAL CA C 67.077 0.000 1 318 1190 34 VAL CB C 31.242 0.000 1 319 1190 34 VAL CG1 C 24.736 0.000 2 320 1190 34 VAL CG2 C 22.564 0.000 2 321 1190 34 VAL N N 122.145 0.000 1 322 1191 35 VAL H H 8.309 0.000 1 323 1191 35 VAL HA H 3.249 0.000 1 324 1191 35 VAL HB H 2.204 0.000 1 325 1191 35 VAL HG1 H 0.714 0.000 1 326 1191 35 VAL HG2 H 1.093 0.000 1 327 1191 35 VAL C C 177.514 0.000 1 328 1191 35 VAL CA C 68.177 0.000 1 329 1191 35 VAL CB C 31.471 0.000 1 330 1191 35 VAL CG1 C 21.598 0.000 2 331 1191 35 VAL CG2 C 24.762 0.000 2 332 1191 35 VAL N N 121.192 0.000 1 333 1192 36 LYS H H 8.084 0.000 1 334 1192 36 LYS HA H 4.015 0.000 1 335 1192 36 LYS HB2 H 1.869 0.000 2 336 1192 36 LYS HB3 H 1.761 0.000 2 337 1192 36 LYS HG2 H 1.311 0.000 2 338 1192 36 LYS HG3 H 1.311 0.000 2 339 1192 36 LYS HD2 H 1.624 0.000 2 340 1192 36 LYS HD3 H 1.453 0.000 2 341 1192 36 LYS HE2 H 2.868 0.000 2 342 1192 36 LYS HE3 H 2.868 0.000 2 343 1192 36 LYS C C 177.949 0.000 1 344 1192 36 LYS CA C 58.531 0.000 1 345 1192 36 LYS CB C 31.568 0.000 1 346 1192 36 LYS CG C 24.737 0.000 1 347 1192 36 LYS CD C 28.320 0.000 1 348 1192 36 LYS CE C 42.267 0.000 1 349 1192 36 LYS N N 120.786 0.000 1 350 1193 37 TYR H H 7.711 0.000 1 351 1193 37 TYR HA H 4.269 0.000 1 352 1193 37 TYR HB2 H 3.000 0.000 2 353 1193 37 TYR HB3 H 3.000 0.000 2 354 1193 37 TYR HD1 H 6.827 0.000 3 355 1193 37 TYR HD2 H 6.827 0.000 3 356 1193 37 TYR HE1 H 6.447 0.000 3 357 1193 37 TYR HE2 H 6.447 0.000 3 358 1193 37 TYR C C 177.294 0.000 1 359 1193 37 TYR CA C 61.015 0.000 1 360 1193 37 TYR CB C 38.194 0.000 1 361 1193 37 TYR CD1 C 132.806 0.000 3 362 1193 37 TYR CD2 C 132.806 0.000 3 363 1193 37 TYR CE1 C 117.559 0.000 3 364 1193 37 TYR CE2 C 117.559 0.000 3 365 1193 37 TYR N N 120.083 0.000 1 366 1194 38 CYS H H 7.933 0.000 1 367 1194 38 CYS HA H 3.531 0.000 1 368 1194 38 CYS HB2 H 3.070 0.000 2 369 1194 38 CYS HB3 H 2.243 0.000 2 370 1194 38 CYS C C 176.878 0.000 1 371 1194 38 CYS CA C 64.286 0.000 1 372 1194 38 CYS CB C 27.951 0.000 1 373 1194 38 CYS N N 115.102 0.000 1 374 1195 39 THR H H 8.780 0.000 1 375 1195 39 THR HA H 3.736 0.000 1 376 1195 39 THR HB H 4.354 0.000 1 377 1195 39 THR HG2 H 1.071 0.000 1 378 1195 39 THR C C 177.208 0.000 1 379 1195 39 THR CA C 66.498 0.000 1 380 1195 39 THR CB C 67.541 0.000 1 381 1195 39 THR CG2 C 21.123 0.000 1 382 1195 39 THR N N 113.300 0.000 1 383 1196 40 ASP H H 8.705 0.000 1 384 1196 40 ASP HA H 4.229 0.000 1 385 1196 40 ASP HB2 H 2.931 0.000 2 386 1196 40 ASP HB3 H 2.370 0.000 2 387 1196 40 ASP CA C 57.651 0.000 1 388 1196 40 ASP CB C 38.893 0.000 1 389 1196 40 ASP N N 126.972 0.000 1 390 1197 41 LEU H H 7.440 0.000 1 391 1197 41 LEU HA H 3.808 0.000 1 392 1197 41 LEU HB2 H 2.448 0.000 2 393 1197 41 LEU HB3 H 1.920 0.000 2 394 1197 41 LEU HD1 H 0.760 0.000 2 395 1197 41 LEU C C 179.495 0.000 1 396 1197 41 LEU CA C 58.960 0.000 1 397 1197 41 LEU CB C 42.846 0.000 1 398 1197 41 LEU CD1 C 20.889 0.000 2 399 1197 41 LEU N N 118.133 0.000 1 400 1198 42 ILE H H 7.380 0.000 1 401 1198 42 ILE HA H 3.285 0.000 1 402 1198 42 ILE HB H 1.994 0.000 1 403 1198 42 ILE HG12 H 2.115 0.000 2 404 1198 42 ILE HG13 H 1.707 0.000 2 405 1198 42 ILE HG2 H 0.771 0.000 1 406 1198 42 ILE HD1 H 0.672 0.000 1 407 1198 42 ILE C C 179.837 0.000 1 408 1198 42 ILE CA C 66.147 0.000 1 409 1198 42 ILE CB C 37.621 0.000 1 410 1198 42 ILE CG1 C 30.399 0.000 1 411 1198 42 ILE CG2 C 17.690 0.000 1 412 1198 42 ILE CD1 C 15.001 0.000 1 413 1198 42 ILE N N 118.137 0.000 1 414 1199 43 GLU H H 8.253 0.000 1 415 1199 43 GLU HA H 3.827 0.000 1 416 1199 43 GLU HB2 H 2.086 0.000 2 417 1199 43 GLU HB3 H 2.039 0.000 2 418 1199 43 GLU HG2 H 2.101 0.000 2 419 1199 43 GLU HG3 H 2.304 0.000 2 420 1199 43 GLU C C 178.419 0.000 1 421 1199 43 GLU CA C 59.695 0.000 1 422 1199 43 GLU CB C 29.187 0.000 1 423 1199 43 GLU CG C 36.189 0.000 1 424 1199 43 GLU N N 123.804 0.000 1 425 1200 44 GLU H H 7.898 0.000 1 426 1200 44 GLU HA H 3.973 0.000 1 427 1200 44 GLU HB2 H 1.993 0.000 2 428 1200 44 GLU HB3 H 1.993 0.000 2 429 1200 44 GLU HG2 H 2.301 0.000 2 430 1200 44 GLU HG3 H 2.201 0.000 2 431 1200 44 GLU C C 175.251 0.000 1 432 1200 44 GLU CA C 56.178 0.000 1 433 1200 44 GLU CB C 29.333 0.000 1 434 1200 44 GLU CG C 35.963 0.000 1 435 1200 44 GLU N N 116.521 0.000 1 436 1201 45 LYS H H 7.947 0.000 1 437 1201 45 LYS HA H 3.521 0.000 1 438 1201 45 LYS HB2 H 1.990 0.000 2 439 1201 45 LYS HB3 H 1.990 0.000 2 440 1201 45 LYS HG2 H 1.301 0.000 2 441 1201 45 LYS HG3 H 1.123 0.000 2 442 1201 45 LYS HD2 H 1.568 0.000 2 443 1201 45 LYS HD3 H 1.481 0.000 2 444 1201 45 LYS HE2 H 2.786 0.000 2 445 1201 45 LYS HE3 H 2.786 0.000 2 446 1201 45 LYS C C 175.508 0.000 1 447 1201 45 LYS CA C 57.281 0.000 1 448 1201 45 LYS CB C 29.717 0.000 1 449 1201 45 LYS CG C 25.922 0.000 1 450 1201 45 LYS CD C 29.256 0.000 1 451 1201 45 LYS CE C 42.049 0.000 1 452 1201 45 LYS N N 117.286 0.000 1 453 1202 46 ASP H H 8.448 0.000 1 454 1202 46 ASP HA H 4.906 0.000 1 455 1202 46 ASP HB2 H 2.889 0.000 2 456 1202 46 ASP HB3 H 2.062 0.000 2 457 1202 46 ASP C C 176.107 0.000 1 458 1202 46 ASP CA C 51.232 0.000 1 459 1202 46 ASP CB C 38.915 0.000 1 460 1202 46 ASP N N 122.722 0.000 1 461 1203 47 LEU H H 7.380 0.000 1 462 1203 47 LEU HA H 3.732 0.000 1 463 1203 47 LEU HB2 H 1.532 0.000 2 464 1203 47 LEU HB3 H 1.270 0.000 2 465 1203 47 LEU HD1 H 0.473 0.000 2 466 1203 47 LEU HD2 H 0.448 0.000 2 467 1203 47 LEU C C 179.690 0.000 1 468 1203 47 LEU CA C 56.560 0.000 1 469 1203 47 LEU CB C 40.008 0.000 1 470 1203 47 LEU CD1 C 22.328 0.000 2 471 1203 47 LEU CD2 C 24.500 0.000 2 472 1203 47 LEU N N 118.993 0.000 1 473 1204 48 GLU H H 8.489 0.000 1 474 1204 48 GLU HA H 3.903 0.000 1 475 1204 48 GLU HB2 H 1.920 0.000 2 476 1204 48 GLU HB3 H 1.825 0.000 2 477 1204 48 GLU HG2 H 2.127 0.000 2 478 1204 48 GLU HG3 H 1.998 0.000 2 479 1204 48 GLU C C 178.614 0.000 1 480 1204 48 GLU CA C 59.372 0.000 1 481 1204 48 GLU CB C 29.401 0.000 1 482 1204 48 GLU CG C 36.349 0.000 1 483 1204 48 GLU N N 121.361 0.000 1 484 1205 49 LYS H H 7.325 0.000 1 485 1205 49 LYS HA H 3.570 0.000 1 486 1205 49 LYS HB2 H 1.602 0.000 2 487 1205 49 LYS HB3 H 1.335 0.000 2 488 1205 49 LYS HG2 H 1.100 0.000 2 489 1205 49 LYS HG3 H 0.173 0.000 2 490 1205 49 LYS HD2 H 1.600 0.000 2 491 1205 49 LYS HD3 H 1.398 0.000 2 492 1205 49 LYS HE2 H 2.879 0.000 2 493 1205 49 LYS HE3 H 2.835 0.000 2 494 1205 49 LYS C C 177.856 0.000 1 495 1205 49 LYS CA C 59.251 0.000 1 496 1205 49 LYS CB C 32.304 0.000 1 497 1205 49 LYS CG C 25.179 0.000 1 498 1205 49 LYS CD C 28.728 0.000 1 499 1205 49 LYS CE C 41.354 0.000 1 500 1205 49 LYS N N 119.499 0.000 1 501 1206 50 LEU H H 7.406 0.000 1 502 1206 50 LEU HA H 3.778 0.000 1 503 1206 50 LEU HB2 H 1.797 0.000 2 504 1206 50 LEU HB3 H 1.146 0.000 2 505 1206 50 LEU HD1 H 0.706 0.000 2 506 1206 50 LEU HD2 H 0.814 0.000 2 507 1206 50 LEU C C 177.147 0.000 1 508 1206 50 LEU CA C 57.906 0.000 1 509 1206 50 LEU CB C 41.206 0.000 1 510 1206 50 LEU CG C 21.936 0.000 1 511 1206 50 LEU CD1 C 26.547 0.000 2 512 1206 50 LEU CD2 C 23.115 0.000 2 513 1206 50 LEU N N 117.852 0.000 1 514 1207 51 ASP H H 7.640 0.000 1 515 1207 51 ASP HA H 4.110 0.000 1 516 1207 51 ASP HB2 H 2.563 0.000 2 517 1207 51 ASP HB3 H 2.563 0.000 2 518 1207 51 ASP C C 178.577 0.000 1 519 1207 51 ASP CA C 57.715 0.000 1 520 1207 51 ASP CB C 41.965 0.000 1 521 1207 51 ASP N N 117.285 0.000 1 522 1208 52 LEU H H 7.350 0.000 1 523 1208 52 LEU HA H 3.801 0.000 1 524 1208 52 LEU HB2 H 1.516 0.000 2 525 1208 52 LEU HB3 H 0.861 0.000 2 526 1208 52 LEU HD1 H 0.576 0.000 2 527 1208 52 LEU HD2 H 0.411 0.000 2 528 1208 52 LEU C C 180.693 0.000 1 529 1208 52 LEU CA C 57.895 0.000 1 530 1208 52 LEU CB C 41.991 0.000 1 531 1208 52 LEU CG C 21.163 0.000 1 532 1208 52 LEU CD1 C 22.311 0.000 2 533 1208 52 LEU CD2 C 24.925 0.000 2 534 1208 52 LEU N N 116.012 0.000 1 535 1209 53 VAL H H 8.654 0.000 1 536 1209 53 VAL HA H 3.857 0.000 1 537 1209 53 VAL HB H 2.356 0.000 1 538 1209 53 VAL HG1 H 1.179 0.000 2 539 1209 53 VAL HG2 H 1.138 0.000 2 540 1209 53 VAL C C 177.452 0.000 1 541 1209 53 VAL CA C 66.707 0.000 1 542 1209 53 VAL CB C 31.933 0.000 1 543 1209 53 VAL CG1 C 24.071 0.000 2 544 1209 53 VAL CG2 C 21.176 0.000 2 545 1209 53 VAL N N 121.009 0.000 1 546 1210 54 ILE H H 8.658 0.000 1 547 1210 54 ILE HA H 3.860 0.000 1 548 1210 54 ILE HB H 2.189 0.000 1 549 1210 54 ILE HG12 H 1.356 0.000 2 550 1210 54 ILE HG13 H 1.524 0.000 2 551 1210 54 ILE HG2 H 0.928 0.000 1 552 1210 54 ILE HD1 H 0.668 0.000 1 553 1210 54 ILE C C 178.137 0.000 1 554 1210 54 ILE CA C 63.616 0.000 1 555 1210 54 ILE CB C 35.448 0.000 1 556 1210 54 ILE CG1 C 27.637 0.000 1 557 1210 54 ILE CG2 C 17.469 0.000 1 558 1210 54 ILE CD1 C 10.068 0.000 1 559 1210 54 ILE N N 122.697 0.000 1 560 1211 55 LYS H H 8.214 0.000 1 561 1211 55 LYS HA H 3.728 0.000 1 562 1211 55 LYS HB2 H 1.806 0.000 2 563 1211 55 LYS HB3 H 1.729 0.000 2 564 1211 55 LYS HG2 H 1.579 0.000 2 565 1211 55 LYS HG3 H 1.306 0.000 2 566 1211 55 LYS HE2 H 2.868 0.000 2 567 1211 55 LYS HE3 H 2.868 0.000 2 568 1211 55 LYS C C 179.226 0.000 1 569 1211 55 LYS CA C 60.341 0.000 1 570 1211 55 LYS CB C 32.593 0.000 1 571 1211 55 LYS CG C 26.973 0.000 1 572 1211 55 LYS N N 118.682 0.000 1 573 1212 56 TYR H H 8.066 0.000 1 574 1212 56 TYR HA H 4.157 0.000 1 575 1212 56 TYR HB2 H 3.307 0.000 2 576 1212 56 TYR HB3 H 2.976 0.000 2 577 1212 56 TYR HD2 H 6.942 0.000 3 578 1212 56 TYR C C 177.183 0.000 1 579 1212 56 TYR CA C 61.890 0.000 1 580 1212 56 TYR CB C 38.922 0.000 1 581 1212 56 TYR CD2 C 132.064 0.000 3 582 1212 56 TYR N N 121.229 0.000 1 583 1213 57 MET H H 8.439 0.000 1 584 1213 57 MET HA H 3.547 0.000 1 585 1213 57 MET HB2 H 3.160 0.000 2 586 1213 57 MET HB3 H 2.287 0.000 2 587 1213 57 MET HG2 H 2.569 0.000 2 588 1213 57 MET HG3 H 2.542 0.000 2 589 1213 57 MET HE H 2.006 0.000 1 590 1213 57 MET C C 176.990 0.000 1 591 1213 57 MET CA C 60.679 0.000 1 592 1213 57 MET CB C 33.800 0.000 1 593 1213 57 MET CG C 33.817 0.000 1 594 1213 57 MET CE C 16.872 0.000 1 595 1213 57 MET N N 115.947 0.000 1 596 1214 58 LYS H H 8.522 0.000 1 597 1214 58 LYS HA H 2.370 0.000 1 598 1214 58 LYS HB2 H 1.464 0.000 2 599 1214 58 LYS HB3 H 1.464 0.000 2 600 1214 58 LYS HG2 H 0.298 0.000 2 601 1214 58 LYS HG3 H 0.298 0.000 2 602 1214 58 LYS HD2 H 1.331 0.000 2 603 1214 58 LYS HD3 H 1.331 0.000 2 604 1214 58 LYS HE2 H 2.722 0.000 2 605 1214 58 LYS HE3 H 2.722 0.000 2 606 1214 58 LYS C C 177.616 0.000 1 607 1214 58 LYS CA C 59.926 0.000 1 608 1214 58 LYS CB C 32.711 0.000 1 609 1214 58 LYS CG C 24.348 0.000 1 610 1214 58 LYS CD C 29.591 0.000 1 611 1214 58 LYS CE C 42.089 0.000 1 612 1214 58 LYS N N 119.791 0.000 1 613 1215 59 ARG H H 6.983 0.000 1 614 1215 59 ARG HA H 3.680 0.000 1 615 1215 59 ARG HB2 H 1.639 0.000 2 616 1215 59 ARG HB3 H 1.639 0.000 2 617 1215 59 ARG HG2 H 1.422 0.000 2 618 1215 59 ARG HG3 H 1.261 0.000 2 619 1215 59 ARG HD2 H 2.999 0.000 2 620 1215 59 ARG HD3 H 2.945 0.000 2 621 1215 59 ARG C C 178.529 0.000 1 622 1215 59 ARG CA C 58.442 0.000 1 623 1215 59 ARG CB C 29.531 0.000 1 624 1215 59 ARG CG C 26.829 0.000 1 625 1215 59 ARG CD C 43.425 0.000 1 626 1215 59 ARG N N 115.679 0.000 1 627 1216 60 LEU H H 7.082 0.000 1 628 1216 60 LEU HA H 3.663 0.000 1 629 1216 60 LEU HB2 H 0.866 0.000 2 630 1216 60 LEU HB3 H 1.162 0.000 2 631 1216 60 LEU HG H 1.018 0.000 1 632 1216 60 LEU HD1 H 0.238 0.000 2 633 1216 60 LEU HD2 H 0.346 0.000 2 634 1216 60 LEU C C 179.164 0.000 1 635 1216 60 LEU CA C 56.969 0.000 1 636 1216 60 LEU CB C 42.944 0.000 1 637 1216 60 LEU CG C 27.207 0.000 1 638 1216 60 LEU CD1 C 25.497 0.000 2 639 1216 60 LEU CD2 C 22.480 0.000 2 640 1216 60 LEU N N 116.018 0.000 1 641 1217 61 MET H H 8.726 0.000 1 642 1217 61 MET HA H 3.554 0.000 1 643 1217 61 MET HB2 H 2.129 0.000 2 644 1217 61 MET HB3 H 2.129 0.000 2 645 1217 61 MET HG2 H 2.692 0.000 2 646 1217 61 MET HG3 H 2.168 0.000 2 647 1217 61 MET HE H 2.164 0.000 1 648 1217 61 MET C C 176.990 0.000 1 649 1217 61 MET CA C 59.446 0.000 1 650 1217 61 MET CB C 31.991 0.000 1 651 1217 61 MET CG C 35.111 0.000 1 652 1217 61 MET CE C 19.093 0.000 1 653 1217 61 MET N N 115.906 0.000 1 654 1218 62 GLN H H 7.345 0.000 1 655 1218 62 GLN HA H 4.234 0.000 1 656 1218 62 GLN HB2 H 1.828 0.000 2 657 1218 62 GLN HB3 H 1.763 0.000 2 658 1218 62 GLN HG2 H 2.089 0.000 2 659 1218 62 GLN HG3 H 2.089 0.000 2 660 1218 62 GLN HE21 H 6.812 0.000 2 661 1218 62 GLN HE22 H 7.593 0.000 2 662 1218 62 GLN C C 176.572 0.000 1 663 1218 62 GLN CA C 56.451 0.000 1 664 1218 62 GLN CB C 27.233 0.000 1 665 1218 62 GLN CG C 34.079 0.000 1 666 1218 62 GLN N N 113.756 0.000 1 667 1218 62 GLN NE2 N 112.569 0.000 1 668 1219 63 GLN H H 7.123 0.000 1 669 1219 63 GLN HA H 4.032 0.000 1 670 1219 63 GLN HB2 H 1.930 0.000 2 671 1219 63 GLN HB3 H 1.930 0.000 2 672 1219 63 GLN HG2 H 2.216 0.000 2 673 1219 63 GLN HG3 H 2.216 0.000 2 674 1219 63 GLN HE21 H 6.569 0.000 2 675 1219 63 GLN HE22 H 7.231 0.000 2 676 1219 63 GLN C C 176.080 0.000 1 677 1219 63 GLN CA C 56.411 0.000 1 678 1219 63 GLN CB C 28.961 0.000 1 679 1219 63 GLN CG C 33.790 0.000 1 680 1219 63 GLN N N 117.529 0.000 1 681 1219 63 GLN NE2 N 111.347 0.000 1 682 1220 64 SER C C 175.202 0.000 1 683 1221 65 VAL H H 8.174 0.000 1 684 1221 65 VAL HA H 3.989 0.000 1 685 1221 65 VAL HB H 2.079 0.000 1 686 1221 65 VAL HG1 H 0.806 0.000 2 687 1221 65 VAL HG2 H 0.835 0.000 2 688 1221 65 VAL C C 176.315 0.000 1 689 1221 65 VAL CA C 62.833 0.000 1 690 1221 65 VAL CB C 31.787 0.000 1 691 1221 65 VAL CG1 C 19.811 0.000 2 692 1221 65 VAL CG2 C 21.010 0.000 2 693 1221 65 VAL N N 121.349 0.000 1 694 1222 66 GLU H H 8.326 0.000 1 695 1222 66 GLU HA H 4.281 0.000 1 696 1222 66 GLU HB2 H 2.055 0.000 2 697 1222 66 GLU HB3 H 1.948 0.000 2 698 1222 66 GLU HG2 H 2.172 0.000 2 699 1222 66 GLU HG3 H 2.233 0.000 2 700 1222 66 GLU C C 175.415 0.000 1 701 1222 66 GLU CA C 55.890 0.000 1 702 1222 66 GLU CB C 29.247 0.000 1 703 1222 66 GLU CG C 35.647 0.000 1 704 1222 66 GLU N N 120.394 0.000 1 705 1224 68 VAL C C 177.577 0.000 1 706 1225 69 TRP HA H 4.329 0.000 1 707 1225 69 TRP HB2 H 3.125 0.000 2 708 1225 69 TRP HB3 H 3.125 0.000 2 709 1225 69 TRP HE1 H 10.581 0.000 1 710 1225 69 TRP C C 177.587 0.000 1 711 1225 69 TRP CA C 59.877 0.000 1 712 1225 69 TRP CB C 29.442 0.000 1 713 1225 69 TRP NE1 N 128.520 0.000 1 714 1226 70 ASN H H 7.651 0.000 1 715 1226 70 ASN HA H 4.207 0.000 1 716 1226 70 ASN HB2 H 3.097 0.000 2 717 1226 70 ASN HB3 H 2.850 0.000 2 718 1226 70 ASN HD21 H 6.845 0.000 2 719 1226 70 ASN HD22 H 7.549 0.000 2 720 1226 70 ASN C C 177.624 0.000 1 721 1226 70 ASN CA C 57.328 0.000 1 722 1226 70 ASN CB C 38.836 0.000 1 723 1226 70 ASN N N 118.692 0.000 1 724 1226 70 ASN ND2 N 113.100 0.000 1 725 1227 71 MET H H 7.636 0.000 1 726 1227 71 MET HA H 4.196 0.000 1 727 1227 71 MET HB2 H 2.025 0.000 2 728 1227 71 MET HB3 H 2.025 0.000 2 729 1227 71 MET HG2 H 2.606 0.000 2 730 1227 71 MET HG3 H 2.504 0.000 2 731 1227 71 MET HE H 1.946 0.000 1 732 1227 71 MET C C 178.969 0.000 1 733 1227 71 MET CA C 58.329 0.000 1 734 1227 71 MET CB C 32.271 0.000 1 735 1227 71 MET CG C 32.191 0.000 1 736 1227 71 MET CE C 17.023 0.000 1 737 1227 71 MET N N 117.022 0.000 1 738 1228 72 ALA H H 7.689 0.000 1 739 1228 72 ALA HA H 4.097 0.000 1 740 1228 72 ALA HB H 1.398 0.000 1 741 1228 72 ALA C C 178.944 0.000 1 742 1228 72 ALA CA C 55.270 0.000 1 743 1228 72 ALA CB C 17.298 0.000 1 744 1228 72 ALA N N 123.595 0.000 1 745 1229 73 PHE H H 8.253 0.000 1 746 1229 73 PHE HA H 4.005 0.000 1 747 1229 73 PHE HB2 H 3.447 0.000 2 748 1229 73 PHE HB3 H 3.007 0.000 2 749 1229 73 PHE C C 176.129 0.000 1 750 1229 73 PHE CA C 62.933 0.000 1 751 1229 73 PHE CB C 38.003 0.000 1 752 1229 73 PHE N N 117.758 0.000 1 753 1230 74 ASP H H 7.573 0.000 1 754 1230 74 ASP HA H 4.062 0.000 1 755 1230 74 ASP HB2 H 2.660 0.000 2 756 1230 74 ASP HB3 H 2.581 0.000 2 757 1230 74 ASP C C 177.088 0.000 1 758 1230 74 ASP CA C 57.531 0.000 1 759 1230 74 ASP CB C 40.090 0.000 1 760 1230 74 ASP N N 117.804 0.000 1 761 1231 75 PHE H H 7.795 0.000 1 762 1231 75 PHE HA H 4.115 0.000 1 763 1231 75 PHE HB2 H 3.212 0.000 2 764 1231 75 PHE HB3 H 3.098 0.000 2 765 1231 75 PHE C C 178.626 0.000 1 766 1231 75 PHE CA C 61.263 0.000 1 767 1231 75 PHE CB C 39.314 0.000 1 768 1231 75 PHE N N 119.783 0.000 1 769 1232 76 ILE H H 8.466 0.000 1 770 1232 76 ILE HA H 3.252 0.000 1 771 1232 76 ILE HB H 1.779 0.000 1 772 1232 76 ILE HG12 H 2.094 0.000 2 773 1232 76 ILE HG13 H 0.916 0.000 2 774 1232 76 ILE HG2 H 0.683 0.000 1 775 1232 76 ILE HD1 H 1.089 0.000 1 776 1232 76 ILE C C 177.088 0.000 1 777 1232 76 ILE CA C 65.931 0.000 1 778 1232 76 ILE CB C 38.486 0.000 1 779 1232 76 ILE CG1 C 30.174 0.000 1 780 1232 76 ILE CG2 C 16.685 0.000 1 781 1232 76 ILE CD1 C 14.367 0.000 1 782 1232 76 ILE N N 122.722 0.000 1 783 1233 77 LEU H H 8.576 0.000 1 784 1233 77 LEU HA H 3.551 0.000 1 785 1233 77 LEU HB2 H 1.388 0.000 2 786 1233 77 LEU HB3 H 0.671 0.000 2 787 1233 77 LEU HD1 H 0.711 0.000 2 788 1233 77 LEU HD2 H 0.796 0.000 2 789 1233 77 LEU C C 178.506 0.000 1 790 1233 77 LEU CA C 57.904 0.000 1 791 1233 77 LEU CB C 40.618 0.000 1 792 1233 77 LEU CD1 C 23.380 0.000 2 793 1233 77 LEU CD2 C 25.635 0.000 2 794 1233 77 LEU N N 119.124 0.000 1 795 1234 78 ASP H H 8.182 0.000 1 796 1234 78 ASP HA H 4.081 0.000 1 797 1234 78 ASP HB2 H 2.557 0.000 2 798 1234 78 ASP HB3 H 2.307 0.000 2 799 1234 78 ASP C C 178.467 0.000 1 800 1234 78 ASP CA C 57.480 0.000 1 801 1234 78 ASP CB C 40.650 0.000 1 802 1234 78 ASP N N 117.689 0.000 1 803 1235 79 ASN H H 7.257 0.000 1 804 1235 79 ASN HA H 3.968 0.000 1 805 1235 79 ASN HB2 H 2.454 0.000 2 806 1235 79 ASN HB3 H 2.096 0.000 2 807 1235 79 ASN HD21 H 6.584 0.000 2 808 1235 79 ASN HD22 H 5.369 0.000 2 809 1235 79 ASN C C 177.379 0.000 1 810 1235 79 ASN CA C 57.081 0.000 1 811 1235 79 ASN CB C 39.838 0.000 1 812 1235 79 ASN N N 115.236 0.000 1 813 1235 79 ASN ND2 N 112.531 0.000 1 814 1236 80 VAL H H 8.151 0.000 1 815 1236 80 VAL HA H 3.241 0.000 1 816 1236 80 VAL HB H 2.113 0.000 1 817 1236 80 VAL HG1 H 0.764 0.000 2 818 1236 80 VAL HG2 H 0.922 0.000 2 819 1236 80 VAL C C 176.976 0.000 1 820 1236 80 VAL CA C 66.913 0.000 1 821 1236 80 VAL CB C 31.771 0.000 1 822 1236 80 VAL CG1 C 21.770 0.000 2 823 1236 80 VAL CG2 C 23.797 0.000 2 824 1236 80 VAL N N 119.941 0.000 1 825 1237 81 GLN H H 8.716 0.000 1 826 1237 81 GLN HA H 4.285 0.000 1 827 1237 81 GLN HB2 H 1.897 0.000 2 828 1237 81 GLN HB3 H 2.044 0.000 2 829 1237 81 GLN HG2 H 2.355 0.000 2 830 1237 81 GLN HG3 H 2.303 0.000 2 831 1237 81 GLN HE21 H 7.034 0.000 2 832 1237 81 GLN HE22 H 7.192 0.000 2 833 1237 81 GLN C C 179.164 0.000 1 834 1237 81 GLN CA C 58.933 0.000 1 835 1237 81 GLN CB C 28.524 0.000 1 836 1237 81 GLN CG C 32.969 0.000 1 837 1237 81 GLN N N 118.208 0.000 1 838 1237 81 GLN NE2 N 110.260 0.000 1 839 1238 82 VAL H H 7.509 0.000 1 840 1238 82 VAL HA H 3.548 0.000 1 841 1238 82 VAL HB H 1.941 0.000 1 842 1238 82 VAL HG1 H 0.728 0.000 2 843 1238 82 VAL HG2 H 0.875 0.000 2 844 1238 82 VAL C C 178.333 0.000 1 845 1238 82 VAL CA C 66.402 0.000 1 846 1238 82 VAL CB C 31.700 0.000 1 847 1238 82 VAL CG1 C 20.791 0.000 2 848 1238 82 VAL CG2 C 22.601 0.000 2 849 1238 82 VAL N N 118.523 0.000 1 850 1239 83 VAL H H 7.133 0.000 1 851 1239 83 VAL HA H 3.588 0.000 1 852 1239 83 VAL HB H 1.878 0.000 1 853 1239 83 VAL HG1 H 0.836 0.000 2 854 1239 83 VAL HG2 H 0.902 0.000 2 855 1239 83 VAL C C 179.996 0.000 1 856 1239 83 VAL CA C 66.145 0.000 1 857 1239 83 VAL CB C 31.403 0.000 1 858 1239 83 VAL CG1 C 22.081 0.000 2 859 1239 83 VAL CG2 C 22.370 0.000 2 860 1239 83 VAL N N 120.098 0.000 1 861 1240 84 LEU H H 8.686 0.000 1 862 1240 84 LEU HA H 3.874 0.000 1 863 1240 84 LEU HB2 H 1.691 0.000 2 864 1240 84 LEU HB3 H 1.691 0.000 2 865 1240 84 LEU HD1 H 0.657 0.000 2 866 1240 84 LEU HD2 H 0.704 0.000 2 867 1240 84 LEU C C 179.201 0.000 1 868 1240 84 LEU CA C 58.800 0.000 1 869 1240 84 LEU CB C 41.863 0.000 1 870 1240 84 LEU CD1 C 24.767 0.000 2 871 1240 84 LEU CD2 C 26.221 0.000 2 872 1240 84 LEU N N 124.069 0.000 1 873 1241 85 GLN H H 8.317 0.000 1 874 1241 85 GLN HA H 3.814 0.000 1 875 1241 85 GLN HB2 H 2.027 0.000 2 876 1241 85 GLN HB3 H 1.963 0.000 2 877 1241 85 GLN HG2 H 2.203 0.000 2 878 1241 85 GLN HG3 H 2.203 0.000 2 879 1241 85 GLN HE21 H 6.551 0.000 2 880 1241 85 GLN HE22 H 7.190 0.000 2 881 1241 85 GLN C C 178.908 0.000 1 882 1241 85 GLN CA C 58.960 0.000 1 883 1241 85 GLN CB C 28.035 0.000 1 884 1241 85 GLN CG C 33.753 0.000 1 885 1241 85 GLN N N 119.486 0.000 1 886 1241 85 GLN NE2 N 110.975 0.000 1 887 1242 86 GLN H H 7.915 0.000 1 888 1242 86 GLN HA H 3.905 0.000 1 889 1242 86 GLN HB2 H 2.076 0.000 2 890 1242 86 GLN HB3 H 1.961 0.000 2 891 1242 86 GLN HG2 H 2.281 0.000 2 892 1242 86 GLN HG3 H 2.400 0.000 2 893 1242 86 GLN HE21 H 6.619 0.000 2 894 1242 86 GLN HE22 H 7.265 0.000 2 895 1242 86 GLN C C 177.078 0.000 1 896 1242 86 GLN CA C 58.003 0.000 1 897 1242 86 GLN CB C 28.701 0.000 1 898 1242 86 GLN CG C 33.780 0.000 1 899 1242 86 GLN N N 117.572 0.000 1 900 1242 86 GLN NE2 N 111.234 0.000 1 901 1243 87 THR H H 7.830 0.000 1 902 1243 87 THR HA H 3.835 0.000 1 903 1243 87 THR HB H 3.609 0.000 1 904 1243 87 THR HG2 H 0.476 0.000 1 905 1243 87 THR C C 174.946 0.000 1 906 1243 87 THR CA C 65.027 0.000 1 907 1243 87 THR CB C 69.582 0.000 1 908 1243 87 THR CG2 C 20.652 0.000 1 909 1243 87 THR N N 112.806 0.000 1 910 1244 88 TYR H H 8.305 0.000 1 911 1244 88 TYR HA H 4.569 0.000 1 912 1244 88 TYR HB2 H 3.112 0.000 2 913 1244 88 TYR HB3 H 2.600 0.000 2 914 1244 88 TYR HD1 H 7.066 0.000 3 915 1244 88 TYR C C 176.707 0.000 1 916 1244 88 TYR CA C 58.289 0.000 1 917 1244 88 TYR CB C 40.305 0.000 1 918 1244 88 TYR CD1 C 133.116 0.000 3 919 1244 88 TYR N N 117.963 0.000 1 920 1245 89 GLY H H 7.866 0.000 1 921 1245 89 GLY HA2 H 3.976 0.000 2 922 1245 89 GLY HA3 H 3.905 0.000 2 923 1245 89 GLY C C 173.703 0.000 1 924 1245 89 GLY CA C 46.015 0.000 1 925 1245 89 GLY N N 109.641 0.000 1 926 1246 90 SER H H 7.497 0.000 1 927 1246 90 SER HA H 4.487 0.000 1 928 1246 90 SER HB2 H 3.671 0.000 2 929 1246 90 SER HB3 H 3.599 0.000 2 930 1246 90 SER C C 172.901 0.000 1 931 1246 90 SER CA C 57.234 0.000 1 932 1246 90 SER CB C 64.539 0.000 1 933 1246 90 SER N N 113.908 0.000 1 934 1247 91 THR H H 7.774 0.000 1 935 1247 91 THR HA H 4.271 0.000 1 936 1247 91 THR HB H 4.070 0.000 1 937 1247 91 THR HG2 H 1.026 0.000 1 938 1247 91 THR C C 174.603 0.000 1 939 1247 91 THR CA C 60.950 0.000 1 940 1247 91 THR CB C 70.501 0.000 1 941 1247 91 THR CG2 C 21.826 0.000 1 942 1247 91 THR N N 110.130 0.000 1 943 1248 92 LEU H H 8.830 0.000 1 944 1248 92 LEU HA H 4.146 0.000 1 945 1248 92 LEU HB2 H 1.331 0.000 2 946 1248 92 LEU HG H 1.367 0.000 1 947 1248 92 LEU HD1 H 0.607 0.000 2 948 1248 92 LEU HD2 H 0.630 0.000 2 949 1248 92 LEU C C 176.878 0.000 1 950 1248 92 LEU CA C 54.884 0.000 1 951 1248 92 LEU CB C 42.523 0.000 1 952 1248 92 LEU CG C 26.578 0.000 1 953 1248 92 LEU CD1 C 23.783 0.000 2 954 1248 92 LEU CD2 C 24.815 0.000 2 955 1248 92 LEU N N 124.033 0.000 1 956 1249 93 LYS H H 8.497 0.000 1 957 1249 93 LYS HA H 4.240 0.000 1 958 1249 93 LYS HB2 H 1.642 0.000 2 959 1249 93 LYS HB3 H 1.566 0.000 2 960 1249 93 LYS HG2 H 1.248 0.000 2 961 1249 93 LYS HG3 H 1.172 0.000 2 962 1249 93 LYS HE2 H 2.789 0.000 2 963 1249 93 LYS HE3 H 2.789 0.000 2 964 1249 93 LYS C C 175.899 0.000 1 965 1249 93 LYS CA C 55.707 0.000 1 966 1249 93 LYS CB C 32.313 0.000 1 967 1249 93 LYS CG C 24.594 0.000 1 968 1249 93 LYS CE C 42.005 0.000 1 969 1249 93 LYS N N 124.836 0.000 1 970 1250 94 VAL H H 8.203 0.000 1 971 1250 94 VAL HA H 4.097 0.000 1 972 1250 94 VAL HB H 1.967 0.000 1 973 1250 94 VAL HG1 H 0.754 0.000 2 974 1250 94 VAL HG2 H 0.774 0.000 2 975 1250 94 VAL C C 175.084 0.000 1 976 1250 94 VAL CA C 61.857 0.000 1 977 1250 94 VAL CB C 32.730 0.000 1 978 1250 94 VAL CG1 C 20.386 0.000 2 979 1250 94 VAL CG2 C 21.509 0.000 2 980 1250 94 VAL N N 122.794 0.000 1 981 1251 95 THR H H 7.617 0.000 1 982 1251 95 THR HA H 3.974 0.000 1 983 1251 95 THR HB H 4.082 0.000 1 984 1251 95 THR HG2 H 0.978 0.000 1 985 1251 95 THR CA C 62.883 0.000 1 986 1251 95 THR CB C 70.391 0.000 1 987 1251 95 THR CG2 C 22.000 0.000 1 988 1251 95 THR N N 122.236 0.000 1 stop_ save_