data_15584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF PUTATIVE-tRNA HYDROLASE DOMAIN FROM SALMONELLA TYPHIMURIUM: NORTH EAST STRUCTURAL GENOMICS CONSORTIUM TARGET STR220 ; _BMRB_accession_number 15584 _BMRB_flat_file_name bmr15584.str _Entry_type original _Submission_date 2007-12-07 _Accession_date 2007-12-07 _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 SINGARAPU 'KIRAN KUMAR' . . 2 WU YIBING . . 3 SUKUMARAN DINESH . . 4 ELETSKY ALEX . . 5 ZERI ANNA . . 6 WANG DONGYAN . . 7 JANJUA HALEEMA . . 8 OWENS LEAH . . 9 XIAO RONG . . 10 LIU JINFENG . . 11 BARAN MICHAEL C. . 12 G.V.T. SWAPNA . . 13 ACTON THOMAS B. . 14 ROST BURKHARD . . 15 MONTELIONE GAETANO T. . 16 SZYPERSKI THOMAS . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 793 "13C chemical shifts" 586 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR STRUCTURE OF PUTATIVE-tRNA HYDROLASE DOMAIN FROM SALMONELLA TYPHIMURIUM: NORTH EAST STRUCTURAL GENOMICS CONSORTIUM TARGET STR220' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 SINGARAPU 'KIRAN KUMAR' . . 2 WU YIBING . . 3 SUKUMARAN DINESH . . 4 ELETSKY ALEX . . 5 ZERI ANNA . . 6 WANG DONGYAN . . 7 JANJUA HALEEMA . . 8 OWENS LEAH . . 9 XIAO RONG . . 10 LIU JINFENG . . 11 BARAN MICHAEL C. . 12 G.V.T. SWAPNA . . 13 ACTON THOMAS B. . 14 ROST BURKHARD . . 15 MONTELIONE GAETANO T. . 16 SZYPERSKI THOMAS . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name STR220 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label STR220 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common STR220 _Molecular_mass 16700.322 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MIAISRTVSIADNELEITAI RAQGAGGQHVNKTSSAIHLR FDIRASGLPEYYKQRLLTAS HHLISDDGVIIIKAQEFRSQ ELNREAAIARLVAVIKELTA EQKSRRATRPTRASKERRLS SKAQKSSVKALRGKVRRPLD LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ALA 4 ILE 5 SER 6 ARG 7 THR 8 VAL 9 SER 10 ILE 11 ALA 12 ASP 13 ASN 14 GLU 15 LEU 16 GLU 17 ILE 18 THR 19 ALA 20 ILE 21 ARG 22 ALA 23 GLN 24 GLY 25 ALA 26 GLY 27 GLY 28 GLN 29 HIS 30 VAL 31 ASN 32 LYS 33 THR 34 SER 35 SER 36 ALA 37 ILE 38 HIS 39 LEU 40 ARG 41 PHE 42 ASP 43 ILE 44 ARG 45 ALA 46 SER 47 GLY 48 LEU 49 PRO 50 GLU 51 TYR 52 TYR 53 LYS 54 GLN 55 ARG 56 LEU 57 LEU 58 THR 59 ALA 60 SER 61 HIS 62 HIS 63 LEU 64 ILE 65 SER 66 ASP 67 ASP 68 GLY 69 VAL 70 ILE 71 ILE 72 ILE 73 LYS 74 ALA 75 GLN 76 GLU 77 PHE 78 ARG 79 SER 80 GLN 81 GLU 82 LEU 83 ASN 84 ARG 85 GLU 86 ALA 87 ALA 88 ILE 89 ALA 90 ARG 91 LEU 92 VAL 93 ALA 94 VAL 95 ILE 96 LYS 97 GLU 98 LEU 99 THR 100 ALA 101 GLU 102 GLN 103 LYS 104 SER 105 ARG 106 ARG 107 ALA 108 THR 109 ARG 110 PRO 111 THR 112 ARG 113 ALA 114 SER 115 LYS 116 GLU 117 ARG 118 ARG 119 LEU 120 SER 121 SER 122 LYS 123 ALA 124 GLN 125 LYS 126 SER 127 SER 128 VAL 129 LYS 130 ALA 131 LEU 132 ARG 133 GLY 134 LYS 135 VAL 136 ARG 137 ARG 138 PRO 139 LEU 140 ASP 141 LEU 142 GLU 143 HIS 144 HIS 145 HIS 146 HIS 147 HIS 148 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2JY9 "Nmr Structure Of Putative Trna Hydrolase Domain From Salmonella Typhimurium. Northeast Structural Genomics Consortium Target St" 100.00 148 100.00 100.00 4.83e-99 DBJ BAJ35184 "peptidyl-tRNA hydrolase domain protein [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 94.59 140 100.00 100.00 1.62e-92 DBJ BAP05946 "putative release factor [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 94.59 140 100.00 100.00 1.62e-92 EMBL CAD08699 "putative release factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 94.59 140 99.29 100.00 3.32e-92 EMBL CAR31835 "putative release factor [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 94.59 140 100.00 100.00 1.62e-92 EMBL CAR36151 "putative release factor [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 94.59 140 98.57 98.57 1.66e-90 EMBL CAR58353 "putative release factor [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 94.59 140 98.57 98.57 4.72e-91 EMBL CBG23262 "putative release factor [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 94.59 140 100.00 100.00 1.62e-92 GB AAL19204 "putative-tRNA hydrolase domain protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 94.59 140 100.00 100.00 1.62e-92 GB AAO67971 "putative release factor [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 94.59 140 99.29 100.00 3.32e-92 GB AAV76276 "putative release factor [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" 94.59 140 98.57 98.57 4.72e-91 GB AAX64146 "putative-tRNA hydrolase domain [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 94.59 140 100.00 100.00 1.62e-92 GB ABX22610 "hypothetical protein SARI_02761 [Salmonella enterica subsp. arizonae serovar 62:z4,z23:-]" 94.59 140 97.14 98.57 6.86e-89 PIR AC0532 "probable release factor STY0265 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 94.59 140 99.29 100.00 3.32e-92 REF NP_454848 "release factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 94.59 140 99.29 100.00 3.32e-92 REF NP_459245 "hydrolase domain-containing protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 94.59 140 100.00 100.00 1.62e-92 REF WP_000560520 "hypothetical protein [Salmonella enterica]" 94.59 140 97.14 98.57 6.86e-89 REF WP_000560521 "hypothetical protein [Salmonella enterica]" 94.59 140 98.57 99.29 3.96e-91 REF WP_000560522 "hypothetical protein [Salmonella enterica]" 94.59 140 98.57 98.57 4.72e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Salmonella typhimurium' 602 Bacteria . Salmonella typhimurium stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pet21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.4 mM '[U-100% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task validation 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_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_4,3D_GFT_CABCACONHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT CABCACONHN' _Sample_label $sample_1 save_ save_4,3D_GFT_HNNCABCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D_GFT_HCCH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D_HCCH_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label $sample_1 save_ save_3D_SimNOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D SimNOESY' _Sample_label $sample_1 save_ save_4,3D_HABCABCONHN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D HABCABCONHN' _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 6.5 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $AutoAssign $AutoStructure $NMRPipe $VNMRJ $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '4,3D GFT CABCACONHN' '4,3D GFT HNNCABCA' '4,3D GFT HCCH COSY' '3D HCCH COSY' '3D SimNOESY' '4,3D HABCABCONHN' 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 STR220 _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 1 1 MET HA H 4.207 0.003 1 2 1 1 MET HB2 H 2.117 0.007 2 3 1 1 MET HB3 H 2.103 0.000 2 4 1 1 MET HE H 2.026 0.000 1 5 1 1 MET HG2 H 2.517 0.001 2 6 1 1 MET HG3 H 2.521 0.000 2 7 1 1 MET C C 172.156 0.000 1 8 1 1 MET CA C 54.905 0.000 1 9 1 1 MET CB C 33.678 0.000 1 10 1 1 MET CE C 17.000 0.000 1 11 1 1 MET CG C 30.826 0.000 1 12 2 2 ILE H H 9.149 0.002 1 13 2 2 ILE HA H 4.192 0.001 1 14 2 2 ILE HB H 1.692 0.002 1 15 2 2 ILE HD1 H 0.700 0.002 1 16 2 2 ILE HG12 H 1.020 0.000 2 17 2 2 ILE HG13 H 1.370 0.000 2 18 2 2 ILE HG2 H 0.594 0.000 1 19 2 2 ILE C C 174.613 0.000 1 20 2 2 ILE CA C 60.158 0.000 1 21 2 2 ILE CB C 39.243 0.000 1 22 2 2 ILE CD1 C 14.305 0.000 1 23 2 2 ILE CG1 C 26.847 0.000 1 24 2 2 ILE CG2 C 17.685 0.000 1 25 2 2 ILE N N 124.145 0.000 1 26 3 3 ALA H H 8.661 0.000 1 27 3 3 ALA HA H 4.390 0.008 1 28 3 3 ALA HB H 1.251 0.001 1 29 3 3 ALA C C 176.936 0.000 1 30 3 3 ALA CA C 52.735 0.000 1 31 3 3 ALA CB C 18.976 0.000 1 32 3 3 ALA N N 130.318 0.000 1 33 4 4 ILE H H 8.512 0.000 1 34 4 4 ILE HA H 4.069 0.001 1 35 4 4 ILE HB H 1.755 0.000 1 36 4 4 ILE HD1 H 0.637 0.005 1 37 4 4 ILE HG12 H 1.285 0.002 2 38 4 4 ILE HG13 H 1.202 0.004 2 39 4 4 ILE HG2 H 0.861 0.001 1 40 4 4 ILE C C 175.283 0.000 1 41 4 4 ILE CA C 61.206 0.000 1 42 4 4 ILE CB C 37.351 0.000 1 43 4 4 ILE CD1 C 11.806 0.000 1 44 4 4 ILE CG1 C 27.672 0.000 1 45 4 4 ILE CG2 C 17.637 0.000 1 46 4 4 ILE N N 123.166 0.000 1 47 5 5 SER H H 8.585 0.000 1 48 5 5 SER HA H 4.786 0.000 1 49 5 5 SER HB2 H 3.841 0.001 2 50 5 5 SER HB3 H 4.378 0.000 2 51 5 5 SER C C 177.695 0.000 1 52 5 5 SER CA C 55.743 0.000 1 53 5 5 SER CB C 66.269 0.000 1 54 5 5 SER N N 114.927 0.000 1 55 6 6 ARG H H 8.254 0.000 1 56 6 6 ARG HA H 4.151 0.000 1 57 6 6 ARG HB2 H 1.937 0.001 2 58 6 6 ARG HB3 H 1.936 0.003 2 59 6 6 ARG HD2 H 3.252 0.000 2 60 6 6 ARG HD3 H 3.244 0.000 2 61 6 6 ARG HG2 H 1.708 0.000 2 62 6 6 ARG HG3 H 1.783 0.002 2 63 6 6 ARG C C 177.233 0.000 1 64 6 6 ARG CA C 58.946 0.000 1 65 6 6 ARG CB C 30.145 0.000 1 66 6 6 ARG CD C 43.134 0.000 1 67 6 6 ARG CG C 27.442 0.000 1 68 6 6 ARG N N 119.995 0.000 1 69 7 7 THR H H 7.876 0.000 1 70 7 7 THR HA H 4.519 0.000 1 71 7 7 THR HB H 4.395 0.000 1 72 7 7 THR HG2 H 1.143 0.004 1 73 7 7 THR C C 174.345 0.000 1 74 7 7 THR CA C 61.013 0.000 1 75 7 7 THR CB C 69.829 0.000 1 76 7 7 THR CG2 C 22.092 0.000 1 77 7 7 THR N N 104.099 0.000 1 78 8 8 VAL H H 7.326 0.000 1 79 8 8 VAL HA H 4.282 0.000 1 80 8 8 VAL HB H 1.771 0.003 1 81 8 8 VAL HG1 H 0.432 0.005 2 82 8 8 VAL HG2 H 0.613 0.007 2 83 8 8 VAL C C 174.017 0.000 1 84 8 8 VAL CA C 62.200 0.000 1 85 8 8 VAL CB C 33.389 0.000 1 86 8 8 VAL CG1 C 21.219 0.000 1 87 8 8 VAL CG2 C 21.194 0.000 1 88 8 8 VAL N N 123.385 0.000 1 89 9 9 SER H H 8.554 0.000 1 90 9 9 SER HA H 5.172 0.003 1 91 9 9 SER HB2 H 3.762 0.000 2 92 9 9 SER HB3 H 3.559 0.002 2 93 9 9 SER C C 172.231 0.000 1 94 9 9 SER CA C 56.618 0.000 1 95 9 9 SER CB C 67.135 0.000 1 96 9 9 SER N N 122.329 0.000 1 97 10 10 ILE H H 8.782 0.005 1 98 10 10 ILE HA H 4.331 0.000 1 99 10 10 ILE HB H 1.603 0.002 1 100 10 10 ILE HD1 H 0.275 0.001 1 101 10 10 ILE HG12 H 1.324 0.007 2 102 10 10 ILE HG13 H 0.836 0.000 2 103 10 10 ILE HG2 H 0.891 0.002 1 104 10 10 ILE C C 174.792 0.000 1 105 10 10 ILE CA C 59.931 0.000 1 106 10 10 ILE CB C 41.220 0.014 1 107 10 10 ILE CD1 C 13.868 0.000 1 108 10 10 ILE CG1 C 27.066 0.000 1 109 10 10 ILE CG2 C 17.505 0.000 1 110 10 10 ILE N N 118.801 0.000 1 111 11 11 ALA H H 8.865 0.000 1 112 11 11 ALA HA H 4.507 0.000 1 113 11 11 ALA HB H 1.487 0.003 1 114 11 11 ALA C C 178.648 0.000 1 115 11 11 ALA CA C 51.364 0.000 1 116 11 11 ALA CB C 20.160 0.000 1 117 11 11 ALA N N 129.519 0.000 1 118 12 12 ASP H H 8.685 0.000 1 119 12 12 ASP HA H 4.129 0.001 1 120 12 12 ASP HB2 H 2.579 0.000 2 121 12 12 ASP HB3 H 2.658 0.000 2 122 12 12 ASP C C 177.978 0.000 1 123 12 12 ASP CA C 57.688 0.000 1 124 12 12 ASP CB C 40.024 0.000 1 125 12 12 ASP N N 120.298 0.000 1 126 13 13 ASN H H 8.153 0.001 1 127 13 13 ASN HA H 4.662 0.002 1 128 13 13 ASN HB2 H 2.782 0.000 2 129 13 13 ASN HB3 H 3.067 0.009 2 130 13 13 ASN HD21 H 7.589 0.010 2 131 13 13 ASN HD22 H 6.867 0.006 2 132 13 13 ASN C C 176.072 0.000 1 133 13 13 ASN CA C 53.889 0.000 1 134 13 13 ASN CB C 37.040 0.000 1 135 13 13 ASN N N 111.038 0.000 1 136 13 13 ASN ND2 N 111.856 0.000 1 137 14 14 GLU H H 7.928 0.001 1 138 14 14 GLU HA H 4.281 0.000 1 139 14 14 GLU HB2 H 2.487 0.004 2 140 14 14 GLU HB3 H 2.452 0.002 2 141 14 14 GLU HG2 H 2.363 0.004 2 142 14 14 GLU HG3 H 2.340 0.000 2 143 14 14 GLU C C 175.402 0.000 1 144 14 14 GLU CA C 56.749 0.000 1 145 14 14 GLU CB C 29.852 0.000 1 146 14 14 GLU CG C 38.021 0.000 1 147 14 14 GLU N N 118.611 0.000 1 148 15 15 LEU H H 7.462 0.001 1 149 15 15 LEU HA H 4.905 0.000 1 150 15 15 LEU HB2 H 1.283 0.001 2 151 15 15 LEU HB3 H 1.986 0.000 2 152 15 15 LEU HD1 H 0.803 0.000 2 153 15 15 LEU HD2 H 0.745 0.000 2 154 15 15 LEU HG H 1.684 0.000 1 155 15 15 LEU C C 175.194 0.000 1 156 15 15 LEU CA C 53.463 0.000 1 157 15 15 LEU CB C 43.941 0.000 1 158 15 15 LEU CD1 C 26.029 0.000 1 159 15 15 LEU CD2 C 25.375 0.000 1 160 15 15 LEU CG C 26.712 0.000 1 161 15 15 LEU N N 118.223 0.000 1 162 16 16 GLU H H 8.519 0.000 1 163 16 16 GLU HA H 4.690 0.000 1 164 16 16 GLU HB2 H 2.109 0.000 2 165 16 16 GLU HB3 H 2.046 0.003 2 166 16 16 GLU HG2 H 2.229 0.000 2 167 16 16 GLU HG3 H 2.101 0.000 2 168 16 16 GLU C C 175.596 0.000 1 169 16 16 GLU CA C 55.213 0.000 1 170 16 16 GLU CB C 31.165 0.000 1 171 16 16 GLU CG C 35.928 0.000 1 172 16 16 GLU N N 122.306 0.000 1 173 17 17 ILE H H 8.963 0.000 1 174 17 17 ILE HA H 5.089 0.010 1 175 17 17 ILE HB H 1.852 0.000 1 176 17 17 ILE HD1 H 0.846 0.000 1 177 17 17 ILE HG12 H 1.546 0.005 2 178 17 17 ILE HG13 H 0.932 0.000 2 179 17 17 ILE HG2 H 0.868 0.001 1 180 17 17 ILE C C 175.670 0.000 1 181 17 17 ILE CA C 60.210 0.000 1 182 17 17 ILE CB C 39.108 0.000 1 183 17 17 ILE CD1 C 12.916 0.000 1 184 17 17 ILE CG1 C 28.070 0.000 1 185 17 17 ILE CG2 C 18.126 0.000 1 186 17 17 ILE N N 129.160 0.000 1 187 18 18 THR H H 9.307 0.000 1 188 18 18 THR HA H 4.640 0.000 1 189 18 18 THR HB H 4.053 0.000 1 190 18 18 THR HG2 H 1.192 0.000 1 191 18 18 THR C C 172.514 0.000 1 192 18 18 THR CA C 60.292 0.000 1 193 18 18 THR CB C 71.751 0.000 1 194 18 18 THR CG2 C 21.893 0.000 1 195 18 18 THR N N 122.123 0.000 1 196 19 19 ALA H H 8.610 0.000 1 197 19 19 ALA HA H 4.929 0.000 1 198 19 19 ALA HB H 1.355 0.000 1 199 19 19 ALA C C 176.608 0.000 1 200 19 19 ALA CA C 51.240 0.000 1 201 19 19 ALA CB C 19.368 0.000 1 202 19 19 ALA N N 126.827 0.000 1 203 20 20 ILE H H 8.147 0.000 1 204 20 20 ILE HA H 4.189 0.000 1 205 20 20 ILE HB H 1.694 0.000 1 206 20 20 ILE HD1 H 0.594 0.001 1 207 20 20 ILE HG12 H 0.936 0.000 2 208 20 20 ILE HG13 H 1.186 0.000 2 209 20 20 ILE HG2 H 0.789 0.004 1 210 20 20 ILE C C 175.685 0.000 1 211 20 20 ILE CA C 60.327 0.000 1 212 20 20 ILE CB C 38.954 0.000 1 213 20 20 ILE CD1 C 12.324 0.000 1 214 20 20 ILE CG1 C 27.027 0.000 1 215 20 20 ILE CG2 C 17.325 0.000 1 216 20 20 ILE N N 122.051 0.000 1 217 21 21 ARG H H 8.504 0.000 1 218 21 21 ARG HA H 4.430 0.000 1 219 21 21 ARG HB2 H 1.744 0.000 2 220 21 21 ARG HB3 H 1.821 0.000 2 221 21 21 ARG HD2 H 3.193 0.000 2 222 21 21 ARG HD3 H 3.193 0.000 2 223 21 21 ARG HG2 H 1.634 0.000 2 224 21 21 ARG HG3 H 1.634 0.000 2 225 21 21 ARG C C 175.953 0.000 1 226 21 21 ARG CA C 55.769 0.000 1 227 21 21 ARG CB C 30.815 0.000 1 228 21 21 ARG CD C 43.389 0.000 1 229 21 21 ARG CG C 27.134 0.000 1 230 21 21 ARG N N 125.791 0.000 1 231 22 22 ALA H H 8.398 0.000 1 232 22 22 ALA HA H 4.405 0.000 1 233 22 22 ALA HB H 1.412 0.000 1 234 22 22 ALA C C 177.769 0.000 1 235 22 22 ALA CA C 52.301 0.000 1 236 22 22 ALA CB C 19.342 0.000 1 237 22 22 ALA N N 125.588 0.000 1 238 23 23 GLN H H 8.185 0.000 1 239 23 23 GLN HA H 4.375 0.000 1 240 23 23 GLN HB2 H 1.979 0.000 2 241 23 23 GLN HB3 H 1.979 0.000 2 242 23 23 GLN HE21 H 6.883 0.000 2 243 23 23 GLN HE22 H 7.530 0.000 2 244 23 23 GLN HG2 H 2.383 0.000 2 245 23 23 GLN HG3 H 2.382 0.000 2 246 23 23 GLN C C 176.459 0.000 1 247 23 23 GLN CA C 55.778 0.000 1 248 23 23 GLN CB C 29.469 0.000 1 249 23 23 GLN CG C 33.719 0.000 1 250 23 23 GLN N N 114.000 0.000 1 251 23 23 GLN NE2 N 112.370 0.000 1 252 24 24 GLY H H 8.479 0.000 1 253 24 24 GLY HA2 H 3.947 0.000 2 254 24 24 GLY HA3 H 3.981 0.000 2 255 24 24 GLY C C 173.854 0.000 1 256 24 24 GLY CA C 45.066 0.000 1 257 24 24 GLY N N 110.496 0.000 1 258 25 25 ALA H H 8.312 0.000 1 259 25 25 ALA HA H 4.342 0.000 1 260 25 25 ALA HB H 1.393 0.000 1 261 25 25 ALA C C 178.439 0.000 1 262 25 25 ALA CA C 52.540 0.000 1 263 25 25 ALA CB C 19.367 0.000 1 264 25 25 ALA N N 123.825 0.000 1 265 26 26 GLY H H 8.527 0.000 1 266 26 26 GLY HA2 H 3.978 0.000 2 267 26 26 GLY HA3 H 3.979 0.000 2 268 26 26 GLY C C 174.911 0.000 1 269 26 26 GLY CA C 45.406 0.000 1 270 26 26 GLY N N 108.346 0.000 1 271 27 27 GLY H H 8.276 0.000 1 272 27 27 GLY HA2 H 3.930 0.000 2 273 27 27 GLY HA3 H 3.988 0.000 2 274 27 27 GLY C C 174.419 0.000 1 275 27 27 GLY CA C 45.307 0.000 1 276 27 27 GLY N N 108.340 0.000 1 277 28 28 GLN H H 8.258 0.000 1 278 28 28 GLN HA H 4.257 0.000 1 279 28 28 GLN HB2 H 2.007 0.000 2 280 28 28 GLN HB3 H 1.926 0.000 2 281 28 28 GLN HE21 H 7.166 0.000 2 282 28 28 GLN HE22 H 7.066 0.000 2 283 28 28 GLN HG2 H 2.295 0.000 2 284 28 28 GLN HG3 H 2.259 0.000 2 285 28 28 GLN C C 174.419 0.000 1 286 28 28 GLN CA C 56.063 0.000 1 287 28 28 GLN CB C 29.138 0.000 1 288 28 28 GLN CG C 33.606 0.000 1 289 28 28 GLN N N 119.254 0.000 1 290 29 29 HIS H H 8.252 0.000 1 291 29 29 HIS HA H 4.647 0.000 1 292 29 29 HIS HB2 H 3.098 0.000 2 293 29 29 HIS HB3 H 3.158 0.000 2 294 29 29 HIS HD2 H 7.067 0.000 1 295 29 29 HIS C C 175.387 0.000 1 296 29 29 HIS CA C 56.170 0.000 1 297 29 29 HIS CB C 30.425 0.000 1 298 29 29 HIS CD2 C 119.618 0.000 1 299 29 29 HIS N N 119.691 0.000 1 300 30 30 VAL H H 7.943 0.000 1 301 30 30 VAL HA H 4.086 0.000 1 302 30 30 VAL HB H 2.048 0.000 1 303 30 30 VAL HG1 H 0.899 0.000 2 304 30 30 VAL HG2 H 0.880 0.003 2 305 30 30 VAL C C 175.759 0.000 1 306 30 30 VAL CA C 62.349 0.000 1 307 30 30 VAL CB C 32.596 0.000 1 308 30 30 VAL CG1 C 21.014 0.000 1 309 30 30 VAL CG2 C 20.321 0.000 1 310 30 30 VAL N N 119.885 0.000 1 311 31 31 ASN H H 8.596 0.000 1 312 31 31 ASN HA H 4.734 0.000 1 313 31 31 ASN HB2 H 2.893 0.001 2 314 31 31 ASN HB3 H 2.816 0.008 2 315 31 31 ASN HD21 H 7.622 0.000 2 316 31 31 ASN HD22 H 6.962 0.000 2 317 31 31 ASN C C 175.313 0.000 1 318 31 31 ASN CA C 53.161 0.000 1 319 31 31 ASN CB C 38.744 0.000 1 320 31 31 ASN N N 121.514 0.000 1 321 31 31 ASN ND2 N 112.626 0.000 1 322 32 32 LYS H H 8.295 0.000 1 323 32 32 LYS HA H 4.379 0.000 1 324 32 32 LYS HB2 H 1.903 0.000 2 325 32 32 LYS HB3 H 1.794 0.000 2 326 32 32 LYS HD2 H 1.688 0.000 2 327 32 32 LYS HD3 H 1.684 0.000 2 328 32 32 LYS HE2 H 3.002 0.000 2 329 32 32 LYS HE3 H 3.003 0.000 2 330 32 32 LYS HG2 H 1.428 0.000 2 331 32 32 LYS HG3 H 1.467 0.000 2 332 32 32 LYS C C 176.668 0.000 1 333 32 32 LYS CA C 56.645 0.000 1 334 32 32 LYS CB C 33.273 0.000 1 335 32 32 LYS CD C 28.981 0.000 1 336 32 32 LYS CE C 41.945 0.000 1 337 32 32 LYS CG C 24.599 0.000 1 338 32 32 LYS N N 121.359 0.000 1 339 33 33 THR H H 8.157 0.000 1 340 33 33 THR HA H 4.411 0.000 1 341 33 33 THR HB H 4.257 0.000 1 342 33 33 THR HG2 H 1.224 0.000 1 343 33 33 THR C C 174.524 0.000 1 344 33 33 THR CA C 61.691 0.000 1 345 33 33 THR CB C 69.880 0.000 1 346 33 33 THR CG2 C 21.696 0.000 1 347 33 33 THR N N 113.782 0.000 1 348 34 34 SER H H 8.413 0.000 1 349 34 34 SER HA H 4.619 0.000 1 350 34 34 SER HB2 H 3.949 0.000 2 351 34 34 SER HB3 H 3.826 0.000 2 352 34 34 SER C C 174.315 0.000 1 353 34 34 SER CA C 57.863 0.000 1 354 34 34 SER CB C 63.879 0.000 1 355 34 34 SER N N 118.588 0.000 1 356 35 35 SER H H 8.394 0.000 1 357 35 35 SER HA H 4.533 0.004 1 358 35 35 SER HB2 H 3.753 0.001 2 359 35 35 SER HB3 H 3.751 0.000 2 360 35 35 SER C C 173.586 0.000 1 361 35 35 SER CA C 58.304 0.000 1 362 35 35 SER CB C 64.013 0.000 1 363 35 35 SER N N 117.092 0.000 1 364 36 36 ALA H H 8.075 0.000 1 365 36 36 ALA HA H 4.656 0.004 1 366 36 36 ALA HB H 1.378 0.000 1 367 36 36 ALA C C 176.772 0.000 1 368 36 36 ALA CA C 52.196 0.000 1 369 36 36 ALA CB C 21.179 0.000 1 370 36 36 ALA N N 124.581 0.000 1 371 37 37 ILE H H 8.512 0.002 1 372 37 37 ILE HA H 4.953 0.005 1 373 37 37 ILE HB H 1.872 0.007 1 374 37 37 ILE HD1 H 0.747 0.006 1 375 37 37 ILE HG12 H 1.441 0.000 2 376 37 37 ILE HG13 H 1.363 0.000 2 377 37 37 ILE HG2 H 0.816 0.007 1 378 37 37 ILE C C 173.794 0.000 1 379 37 37 ILE CA C 56.770 0.000 1 380 37 37 ILE CB C 40.799 0.000 1 381 37 37 ILE CD1 C 10.277 0.000 1 382 37 37 ILE CG1 C 26.847 0.000 1 383 37 37 ILE CG2 C 18.936 0.000 1 384 37 37 ILE N N 118.734 0.000 1 385 38 38 HIS H H 9.163 0.007 1 386 38 38 HIS HA H 5.162 0.002 1 387 38 38 HIS HB2 H 2.821 0.005 2 388 38 38 HIS HB3 H 3.112 0.005 2 389 38 38 HIS HD2 H 6.756 0.003 1 390 38 38 HIS C C 172.856 0.000 1 391 38 38 HIS CA C 54.643 0.000 1 392 38 38 HIS CB C 32.907 0.000 1 393 38 38 HIS CD2 C 119.412 0.000 1 394 38 38 HIS N N 126.341 0.000 1 395 39 39 LEU H H 9.375 0.000 1 396 39 39 LEU HA H 5.200 0.004 1 397 39 39 LEU HB2 H 1.307 0.000 2 398 39 39 LEU HB3 H 1.697 0.000 2 399 39 39 LEU HD1 H 0.769 0.002 2 400 39 39 LEU HD2 H 0.741 0.002 2 401 39 39 LEU HG H 1.511 0.001 1 402 39 39 LEU C C 173.839 0.000 1 403 39 39 LEU CA C 53.983 0.000 1 404 39 39 LEU CB C 45.439 0.000 1 405 39 39 LEU CD1 C 28.000 0.000 1 406 39 39 LEU CD2 C 25.363 0.000 1 407 39 39 LEU CG C 28.181 0.000 1 408 39 39 LEU N N 128.793 0.000 1 409 40 40 ARG H H 9.047 0.002 1 410 40 40 ARG HA H 5.384 0.004 1 411 40 40 ARG HB2 H 1.783 0.001 2 412 40 40 ARG HB3 H 1.663 0.006 2 413 40 40 ARG HD2 H 3.237 0.004 2 414 40 40 ARG HD3 H 3.178 0.007 2 415 40 40 ARG HG2 H 1.493 0.004 2 416 40 40 ARG HG3 H 1.465 0.001 2 417 40 40 ARG C C 175.060 0.000 1 418 40 40 ARG CA C 54.532 0.000 1 419 40 40 ARG CB C 34.418 0.000 1 420 40 40 ARG CD C 43.364 0.000 1 421 40 40 ARG CG C 28.262 0.000 1 422 40 40 ARG N N 125.110 0.000 1 423 41 41 PHE H H 9.164 0.002 1 424 41 41 PHE HA H 5.201 0.000 1 425 41 41 PHE HB2 H 2.791 0.004 2 426 41 41 PHE HB3 H 2.783 0.000 2 427 41 41 PHE HD1 H 7.174 0.004 1 428 41 41 PHE HD2 H 7.174 0.004 1 429 41 41 PHE HE1 H 7.141 0.011 1 430 41 41 PHE HE2 H 7.141 0.011 1 431 41 41 PHE HZ H 7.166 0.014 1 432 41 41 PHE C C 172.707 0.000 1 433 41 41 PHE CA C 55.620 0.000 1 434 41 41 PHE CB C 42.158 0.000 1 435 41 41 PHE CD1 C 131.910 0.000 1 436 41 41 PHE CE1 C 130.732 0.000 1 437 41 41 PHE CZ C 129.391 0.000 1 438 41 41 PHE N N 124.573 0.000 1 439 42 42 ASP H H 9.015 0.003 1 440 42 42 ASP HA H 4.357 0.002 1 441 42 42 ASP HB2 H 2.834 0.003 2 442 42 42 ASP HB3 H 2.298 0.003 2 443 42 42 ASP C C 175.551 0.000 1 444 42 42 ASP CA C 53.635 0.000 1 445 42 42 ASP CB C 40.738 0.000 1 446 42 42 ASP N N 129.239 0.000 1 447 43 43 ILE H H 7.818 0.000 1 448 43 43 ILE HA H 2.929 0.002 1 449 43 43 ILE HB H 1.830 0.000 1 450 43 43 ILE HD1 H 0.777 0.000 1 451 43 43 ILE HG12 H 1.777 0.000 2 452 43 43 ILE HG13 H 1.777 0.000 2 453 43 43 ILE HG2 H 0.833 0.005 1 454 43 43 ILE C C 179.318 0.000 1 455 43 43 ILE CA C 65.578 0.000 1 456 43 43 ILE CB C 55.387 0.000 1 457 43 43 ILE CD1 C 14.691 0.000 1 458 43 43 ILE CG1 C 26.847 0.000 1 459 43 43 ILE CG2 C 18.491 0.000 1 460 43 43 ILE N N 126.085 0.000 1 461 44 44 ARG H H 8.712 0.000 1 462 44 44 ARG HA H 3.749 0.000 1 463 44 44 ARG HB2 H 1.828 0.002 2 464 44 44 ARG HB3 H 1.648 0.000 2 465 44 44 ARG HD2 H 3.207 0.000 2 466 44 44 ARG HD3 H 3.213 0.000 2 467 44 44 ARG HG2 H 1.614 0.000 2 468 44 44 ARG HG3 H 1.610 0.000 2 469 44 44 ARG C C 177.620 0.000 1 470 44 44 ARG CA C 60.282 0.000 1 471 44 44 ARG CB C 29.843 0.000 1 472 44 44 ARG CD C 43.312 0.000 1 473 44 44 ARG CG C 27.066 0.000 1 474 44 44 ARG N N 118.860 0.000 1 475 45 45 ALA H H 7.413 0.000 1 476 45 45 ALA HA H 4.197 0.000 1 477 45 45 ALA HB H 1.244 0.000 1 478 45 45 ALA C C 177.278 0.000 1 479 45 45 ALA CA C 52.079 0.000 1 480 45 45 ALA CB C 18.959 0.000 1 481 45 45 ALA N N 118.918 0.000 1 482 46 46 SER H H 7.045 0.000 1 483 46 46 SER HA H 4.403 0.000 1 484 46 46 SER HB2 H 4.246 0.000 2 485 46 46 SER HB3 H 3.983 0.000 2 486 46 46 SER C C 173.779 0.000 1 487 46 46 SER CA C 59.161 0.000 1 488 46 46 SER CB C 66.982 0.000 1 489 46 46 SER N N 113.900 0.000 1 490 47 47 GLY H H 9.609 0.000 1 491 47 47 GLY HA2 H 3.771 0.000 2 492 47 47 GLY HA3 H 4.455 0.000 2 493 47 47 GLY C C 175.655 0.000 1 494 47 47 GLY CA C 44.786 0.000 1 495 47 47 GLY N N 108.340 0.000 1 496 48 48 LEU H H 7.378 0.000 1 497 48 48 LEU HA H 4.360 0.002 1 498 48 48 LEU HB2 H 1.550 0.000 2 499 48 48 LEU HB3 H 1.240 0.000 2 500 48 48 LEU HD1 H 0.971 0.000 2 501 48 48 LEU HD2 H 0.718 0.000 2 502 48 48 LEU HG H 2.082 0.000 1 503 48 48 LEU CA C 53.302 0.000 1 504 48 48 LEU CB C 42.116 0.000 1 505 48 48 LEU CD1 C 26.817 0.000 1 506 48 48 LEU CD2 C 23.117 0.000 1 507 48 48 LEU CG C 26.819 0.000 1 508 48 48 LEU N N 119.343 0.000 1 509 49 49 PRO HA H 4.580 0.000 1 510 49 49 PRO HB2 H 2.637 0.005 2 511 49 49 PRO HB3 H 1.764 0.004 2 512 49 49 PRO HD2 H 2.986 0.003 2 513 49 49 PRO HD3 H 3.980 0.005 2 514 49 49 PRO HG2 H 1.837 0.000 2 515 49 49 PRO HG3 H 2.135 0.007 2 516 49 49 PRO C C 177.903 0.000 1 517 49 49 PRO CA C 62.540 0.000 1 518 49 49 PRO CB C 32.758 0.000 1 519 49 49 PRO CD C 49.836 0.000 1 520 49 49 PRO CG C 27.803 0.000 1 521 50 50 GLU H H 9.170 0.000 1 522 50 50 GLU HA H 3.961 0.000 1 523 50 50 GLU HB2 H 2.198 0.000 2 524 50 50 GLU HB3 H 2.111 0.000 2 525 50 50 GLU HG2 H 2.399 0.000 2 526 50 50 GLU HG3 H 2.398 0.000 2 527 50 50 GLU C C 178.067 0.000 1 528 50 50 GLU CA C 60.066 0.000 1 529 50 50 GLU CB C 29.206 0.000 1 530 50 50 GLU CG C 35.608 0.000 1 531 50 50 GLU N N 125.277 0.000 1 532 51 51 TYR H H 8.759 0.000 1 533 51 51 TYR HA H 4.345 0.006 1 534 51 51 TYR HB2 H 2.836 0.000 2 535 51 51 TYR HB3 H 3.295 0.000 2 536 51 51 TYR HD1 H 6.947 0.000 1 537 51 51 TYR HD2 H 6.947 0.000 1 538 51 51 TYR HE1 H 6.728 0.000 1 539 51 51 TYR HE2 H 6.728 0.000 1 540 51 51 TYR C C 178.201 0.000 1 541 51 51 TYR CA C 60.586 0.000 1 542 51 51 TYR CB C 37.980 0.000 1 543 51 51 TYR CD1 C 133.236 0.000 1 544 51 51 TYR CE1 C 118.061 0.000 1 545 51 51 TYR N N 115.829 0.000 1 546 52 52 TYR H H 7.136 0.002 1 547 52 52 TYR HA H 3.858 0.003 1 548 52 52 TYR HB2 H 3.342 0.000 2 549 52 52 TYR HB3 H 2.594 0.000 2 550 52 52 TYR HD1 H 6.836 0.005 1 551 52 52 TYR HD2 H 6.836 0.005 1 552 52 52 TYR HE1 H 6.856 0.004 1 553 52 52 TYR HE2 H 6.856 0.004 1 554 52 52 TYR C C 177.769 0.000 1 555 52 52 TYR CA C 60.995 0.000 1 556 52 52 TYR CB C 39.385 0.000 1 557 52 52 TYR CD1 C 131.097 0.000 1 558 52 52 TYR CE1 C 119.124 0.000 1 559 52 52 TYR N N 117.305 0.000 1 560 53 53 LYS H H 7.933 0.000 1 561 53 53 LYS HA H 3.527 0.007 1 562 53 53 LYS HB2 H 1.595 0.000 2 563 53 53 LYS HB3 H 1.601 0.000 2 564 53 53 LYS HD2 H 1.530 0.000 2 565 53 53 LYS HD3 H 1.559 0.000 2 566 53 53 LYS HE2 H 2.928 0.002 2 567 53 53 LYS HE3 H 2.928 0.002 2 568 53 53 LYS HG2 H 1.431 0.000 2 569 53 53 LYS HG3 H 1.435 0.000 2 570 53 53 LYS C C 176.876 0.000 1 571 53 53 LYS CA C 61.371 0.000 1 572 53 53 LYS CB C 32.779 0.000 1 573 53 53 LYS CD C 27.977 0.000 1 574 53 53 LYS CE C 40.977 0.000 1 575 53 53 LYS CG C 24.107 0.000 1 576 53 53 LYS N N 117.384 0.000 1 577 54 54 GLN H H 8.562 0.000 1 578 54 54 GLN HA H 3.953 0.003 1 579 54 54 GLN HB2 H 2.058 0.006 2 580 54 54 GLN HB3 H 2.075 0.000 2 581 54 54 GLN HE21 H 7.655 0.002 2 582 54 54 GLN HE22 H 6.756 0.000 2 583 54 54 GLN HG2 H 2.508 0.005 2 584 54 54 GLN HG3 H 2.408 0.000 2 585 54 54 GLN C C 179.139 0.000 1 586 54 54 GLN CA C 58.815 0.000 1 587 54 54 GLN CB C 27.813 0.000 1 588 54 54 GLN CG C 33.505 0.000 1 589 54 54 GLN N N 115.184 0.000 1 590 54 54 GLN NE2 N 111.599 0.000 1 591 55 55 ARG H H 7.322 0.000 1 592 55 55 ARG HA H 3.863 0.000 1 593 55 55 ARG HB2 H 1.828 0.000 2 594 55 55 ARG HB3 H 1.664 0.000 2 595 55 55 ARG HD2 H 3.001 0.000 2 596 55 55 ARG HD3 H 3.062 0.000 2 597 55 55 ARG HG2 H 1.453 0.000 2 598 55 55 ARG HG3 H 1.464 0.000 2 599 55 55 ARG C C 178.380 0.000 1 600 55 55 ARG CA C 57.759 0.000 1 601 55 55 ARG CB C 29.527 0.000 1 602 55 55 ARG CD C 42.297 0.000 1 603 55 55 ARG CG C 26.767 0.000 1 604 55 55 ARG N N 118.031 0.000 1 605 56 56 LEU H H 7.864 0.000 1 606 56 56 LEU HA H 3.927 0.001 1 607 56 56 LEU HB2 H 1.986 0.007 2 608 56 56 LEU HB3 H 1.368 0.001 2 609 56 56 LEU HD1 H 0.798 0.000 2 610 56 56 LEU HD2 H 0.822 0.001 2 611 56 56 LEU HG H 1.864 0.000 1 612 56 56 LEU C C 177.948 0.000 1 613 56 56 LEU CA C 57.462 0.000 1 614 56 56 LEU CB C 42.780 0.000 1 615 56 56 LEU CD1 C 24.401 0.000 1 616 56 56 LEU CD2 C 26.757 0.000 1 617 56 56 LEU CG C 27.044 0.000 1 618 56 56 LEU N N 116.643 0.000 1 619 57 57 LEU H H 8.408 0.004 1 620 57 57 LEU HA H 4.164 0.000 1 621 57 57 LEU HB2 H 1.518 0.000 2 622 57 57 LEU HB3 H 1.833 0.000 2 623 57 57 LEU HD1 H 0.859 0.002 2 624 57 57 LEU HD2 H 0.765 0.001 2 625 57 57 LEU HG H 1.498 0.000 1 626 57 57 LEU C C 178.439 0.000 1 627 57 57 LEU CA C 56.492 0.000 1 628 57 57 LEU CB C 41.727 0.000 1 629 57 57 LEU CD1 C 23.569 0.000 1 630 57 57 LEU CD2 C 25.650 0.000 1 631 57 57 LEU CG C 25.967 0.000 1 632 57 57 LEU N N 114.759 0.000 1 633 58 58 THR H H 7.335 0.004 1 634 58 58 THR HA H 4.473 0.000 1 635 58 58 THR HB H 4.429 0.000 1 636 58 58 THR HG2 H 1.268 0.000 1 637 58 58 THR C C 174.360 0.000 1 638 58 58 THR CA C 61.188 0.000 1 639 58 58 THR CB C 69.974 0.000 1 640 58 58 THR CG2 C 21.194 0.000 1 641 58 58 THR N N 106.410 0.000 1 642 59 59 ALA H H 7.048 0.004 1 643 59 59 ALA HA H 4.405 0.000 1 644 59 59 ALA HB H 1.561 0.002 1 645 59 59 ALA C C 177.740 0.000 1 646 59 59 ALA CA C 52.117 0.000 1 647 59 59 ALA CB C 20.864 0.000 1 648 59 59 ALA N N 124.625 0.000 1 649 60 60 SER H H 8.564 0.000 1 650 60 60 SER HA H 4.645 0.005 1 651 60 60 SER HB2 H 3.895 0.000 2 652 60 60 SER HB3 H 3.787 0.000 2 653 60 60 SER C C 173.586 0.000 1 654 60 60 SER CA C 56.901 0.000 1 655 60 60 SER CB C 62.878 0.000 1 656 60 60 SER N N 115.264 0.000 1 657 61 61 HIS H H 8.659 0.000 1 658 61 61 HIS HA H 4.517 0.000 1 659 61 61 HIS HB2 H 2.946 0.000 2 660 61 61 HIS HB3 H 2.668 0.004 2 661 61 61 HIS HD2 H 7.138 0.000 1 662 61 61 HIS C C 174.598 0.000 1 663 61 61 HIS CA C 57.876 0.000 1 664 61 61 HIS CB C 34.634 0.000 1 665 61 61 HIS CD2 C 117.882 0.000 1 666 61 61 HIS N N 126.055 0.000 1 667 62 62 HIS H H 8.118 0.000 1 668 62 62 HIS HA H 4.789 0.003 1 669 62 62 HIS HB2 H 3.118 0.002 2 670 62 62 HIS HB3 H 3.108 0.002 2 671 62 62 HIS HD2 H 7.138 0.000 1 672 62 62 HIS C C 176.623 0.000 1 673 62 62 HIS CA C 55.567 0.000 1 674 62 62 HIS CB C 29.147 0.000 1 675 62 62 HIS CD2 C 119.037 0.000 1 676 62 62 HIS N N 122.036 0.000 1 677 63 63 LEU H H 10.311 0.000 1 678 63 63 LEU HA H 4.556 0.000 1 679 63 63 LEU HB2 H 1.748 0.000 2 680 63 63 LEU HB3 H 1.649 0.000 2 681 63 63 LEU HD1 H 1.040 0.001 2 682 63 63 LEU HD2 H 0.861 0.000 2 683 63 63 LEU HG H 1.170 0.000 1 684 63 63 LEU C C 175.864 0.000 1 685 63 63 LEU CA C 55.313 0.000 1 686 63 63 LEU CB C 41.658 0.000 1 687 63 63 LEU CD1 C 22.428 0.000 1 688 63 63 LEU CD2 C 25.533 0.000 1 689 63 63 LEU CG C 26.532 0.000 1 690 63 63 LEU N N 122.425 0.000 1 691 64 64 ILE H H 7.826 0.000 1 692 64 64 ILE HA H 4.570 0.003 1 693 64 64 ILE HB H 1.959 0.000 1 694 64 64 ILE HD1 H 0.728 0.004 1 695 64 64 ILE HG12 H 1.544 0.000 2 696 64 64 ILE HG13 H 1.542 0.000 2 697 64 64 ILE HG2 H 0.936 0.005 1 698 64 64 ILE C C 176.251 0.000 1 699 64 64 ILE CA C 60.935 0.000 1 700 64 64 ILE CB C 37.920 0.000 1 701 64 64 ILE CD1 C 13.585 0.000 1 702 64 64 ILE CG1 C 27.283 0.000 1 703 64 64 ILE CG2 C 17.222 0.000 1 704 64 64 ILE N N 118.119 0.000 1 705 65 65 SER H H 9.215 0.001 1 706 65 65 SER HA H 4.630 0.002 1 707 65 65 SER HB2 H 4.424 0.005 2 708 65 65 SER HB3 H 4.138 0.008 2 709 65 65 SER C C 176.534 0.000 1 710 65 65 SER CA C 57.712 0.000 1 711 65 65 SER CB C 65.392 0.000 1 712 65 65 SER N N 124.238 0.000 1 713 66 66 ASP H H 9.135 0.000 1 714 66 66 ASP HA H 4.481 0.000 1 715 66 66 ASP HB2 H 2.786 0.000 2 716 66 66 ASP HB3 H 2.720 0.000 2 717 66 66 ASP C C 176.504 0.000 1 718 66 66 ASP CA C 56.562 0.000 1 719 66 66 ASP CB C 40.212 0.000 1 720 66 66 ASP N N 121.434 0.000 1 721 67 67 ASP H H 8.072 0.000 1 722 67 67 ASP HA H 4.764 0.000 1 723 67 67 ASP HB2 H 2.672 0.001 2 724 67 67 ASP HB3 H 2.724 0.001 2 725 67 67 ASP C C 176.176 0.000 1 726 67 67 ASP CA C 53.154 0.000 1 727 67 67 ASP CB C 40.147 0.000 1 728 67 67 ASP N N 114.803 0.000 1 729 68 68 GLY H H 8.172 0.001 1 730 68 68 GLY HA2 H 3.534 0.004 2 731 68 68 GLY HA3 H 3.839 0.007 2 732 68 68 GLY C C 173.124 0.000 1 733 68 68 GLY CA C 47.294 0.000 1 734 68 68 GLY N N 108.632 0.000 1 735 69 69 VAL H H 7.775 0.003 1 736 69 69 VAL HA H 4.718 0.003 1 737 69 69 VAL HB H 1.999 0.000 1 738 69 69 VAL HG1 H 0.762 0.000 2 739 69 69 VAL HG2 H 0.687 0.006 2 740 69 69 VAL C C 175.432 0.000 1 741 69 69 VAL CA C 60.138 0.000 1 742 69 69 VAL CB C 33.982 0.000 1 743 69 69 VAL CG1 C 21.840 0.000 1 744 69 69 VAL CG2 C 21.031 0.000 1 745 69 69 VAL N N 120.751 0.000 1 746 70 70 ILE H H 9.140 0.000 1 747 70 70 ILE HA H 4.859 0.000 1 748 70 70 ILE HB H 1.978 0.000 1 749 70 70 ILE HD1 H 0.793 0.003 1 750 70 70 ILE HG12 H 1.916 0.000 2 751 70 70 ILE HG13 H 1.034 0.000 2 752 70 70 ILE HG2 H 0.788 0.001 1 753 70 70 ILE C C 174.970 0.000 1 754 70 70 ILE CA C 61.388 0.000 1 755 70 70 ILE CB C 38.208 0.000 1 756 70 70 ILE CD1 C 12.789 0.000 1 757 70 70 ILE CG1 C 28.114 0.000 1 758 70 70 ILE CG2 C 16.793 0.000 1 759 70 70 ILE N N 127.151 0.000 1 760 71 71 ILE H H 8.251 0.002 1 761 71 71 ILE HA H 5.128 0.001 1 762 71 71 ILE HB H 1.746 0.000 1 763 71 71 ILE HD1 H 0.922 0.000 1 764 71 71 ILE HG12 H 1.541 0.000 2 765 71 71 ILE HG13 H 1.655 0.000 2 766 71 71 ILE HG2 H 0.707 0.000 1 767 71 71 ILE C C 175.298 0.000 1 768 71 71 ILE CA C 59.862 0.000 1 769 71 71 ILE CB C 39.672 0.000 1 770 71 71 ILE CD1 C 13.379 0.000 1 771 71 71 ILE CG1 C 26.847 0.000 1 772 71 71 ILE CG2 C 17.273 0.000 1 773 71 71 ILE N N 128.117 0.000 1 774 72 72 ILE H H 9.084 0.000 1 775 72 72 ILE HA H 4.374 0.000 1 776 72 72 ILE HB H 1.677 0.001 1 777 72 72 ILE HD1 H 0.762 0.008 1 778 72 72 ILE HG12 H 1.518 0.000 2 779 72 72 ILE HG13 H 1.148 0.000 2 780 72 72 ILE HG2 H 0.979 0.005 1 781 72 72 ILE C C 173.839 0.000 1 782 72 72 ILE CA C 59.316 0.000 1 783 72 72 ILE CB C 42.470 0.000 1 784 72 72 ILE CD1 C 13.367 0.000 1 785 72 72 ILE CG1 C 28.305 0.000 1 786 72 72 ILE CG2 C 17.505 0.000 1 787 72 72 ILE N N 127.018 0.000 1 788 73 73 LYS H H 8.563 0.000 1 789 73 73 LYS HA H 5.164 0.003 1 790 73 73 LYS HB2 H 1.669 0.000 2 791 73 73 LYS HB3 H 1.673 0.000 2 792 73 73 LYS HD2 H 1.576 0.001 2 793 73 73 LYS HD3 H 1.574 0.002 2 794 73 73 LYS HE2 H 2.772 0.004 2 795 73 73 LYS HE3 H 2.733 0.002 2 796 73 73 LYS HG2 H 1.206 0.000 2 797 73 73 LYS HG3 H 0.954 0.006 2 798 73 73 LYS C C 175.343 0.000 1 799 73 73 LYS CA C 54.685 0.000 1 800 73 73 LYS CB C 33.990 0.000 1 801 73 73 LYS CD C 29.454 0.000 1 802 73 73 LYS CE C 41.842 0.000 1 803 73 73 LYS CG C 25.130 0.000 1 804 73 73 LYS N N 126.717 0.000 1 805 74 74 ALA H H 9.131 0.002 1 806 74 74 ALA HA H 4.840 0.000 1 807 74 74 ALA HB H 1.446 0.004 1 808 74 74 ALA C C 175.343 0.000 1 809 74 74 ALA CA C 51.678 0.000 1 810 74 74 ALA CB C 22.313 0.000 1 811 74 74 ALA N N 128.536 0.000 1 812 75 75 GLN H H 8.758 0.000 1 813 75 75 GLN HA H 4.815 0.005 1 814 75 75 GLN HB2 H 1.884 0.003 2 815 75 75 GLN HB3 H 2.181 0.000 2 816 75 75 GLN HE21 H 7.553 0.008 2 817 75 75 GLN HE22 H 6.798 0.003 2 818 75 75 GLN HG2 H 2.159 0.003 2 819 75 75 GLN HG3 H 2.122 0.000 2 820 75 75 GLN C C 174.851 0.000 1 821 75 75 GLN CA C 54.118 0.000 1 822 75 75 GLN CB C 30.780 0.000 1 823 75 75 GLN CG C 32.458 0.000 1 824 75 75 GLN N N 120.152 0.000 1 825 75 75 GLN NE2 N 111.343 0.000 1 826 76 76 GLU H H 8.429 0.000 1 827 76 76 GLU HA H 3.885 0.000 1 828 76 76 GLU HB2 H 1.370 0.000 2 829 76 76 GLU HB3 H 1.557 0.001 2 830 76 76 GLU HG2 H 1.853 0.000 2 831 76 76 GLU HG3 H 1.935 0.000 2 832 76 76 GLU C C 176.846 0.000 1 833 76 76 GLU CA C 58.894 0.000 1 834 76 76 GLU CB C 30.045 0.000 1 835 76 76 GLU CG C 36.447 0.000 1 836 76 76 GLU N N 121.867 0.000 1 837 77 77 PHE H H 8.871 0.003 1 838 77 77 PHE HA H 4.910 0.000 1 839 77 77 PHE HB2 H 3.368 0.000 2 840 77 77 PHE HB3 H 2.657 0.000 2 841 77 77 PHE HD1 H 7.286 0.006 1 842 77 77 PHE HD2 H 7.286 0.006 1 843 77 77 PHE HE1 H 7.304 0.000 1 844 77 77 PHE HE2 H 7.304 0.000 1 845 77 77 PHE HZ H 7.265 0.000 1 846 77 77 PHE C C 180.985 0.000 1 847 77 77 PHE CA C 56.669 0.000 1 848 77 77 PHE CB C 40.928 0.000 1 849 77 77 PHE CD1 C 131.524 0.000 1 850 77 77 PHE CE1 C 131.442 0.000 1 851 77 77 PHE CZ C 129.854 0.000 1 852 77 77 PHE N N 116.791 0.000 1 853 78 78 ARG H H 8.237 0.000 1 854 78 78 ARG HA H 4.321 0.000 1 855 78 78 ARG HB2 H 1.788 0.002 2 856 78 78 ARG HB3 H 1.778 0.002 2 857 78 78 ARG HD2 H 3.128 0.002 2 858 78 78 ARG HD3 H 3.128 0.002 2 859 78 78 ARG HG2 H 1.578 0.002 2 860 78 78 ARG HG3 H 1.578 0.002 2 861 78 78 ARG C C 178.186 0.000 1 862 78 78 ARG CA C 56.147 0.000 1 863 78 78 ARG CB C 29.857 0.000 1 864 78 78 ARG CD C 42.297 0.000 1 865 78 78 ARG CG C 26.507 0.000 1 866 78 78 ARG N N 119.686 0.000 1 867 79 79 SER H H 8.937 0.000 1 868 79 79 SER HA H 4.881 0.003 1 869 79 79 SER HB2 H 3.750 0.009 2 870 79 79 SER HB3 H 4.219 0.001 2 871 79 79 SER C C 174.449 0.000 1 872 79 79 SER CA C 55.516 0.000 1 873 79 79 SER CB C 65.813 0.010 1 874 79 79 SER N N 118.897 0.000 1 875 80 80 GLN H H 9.317 0.002 1 876 80 80 GLN HA H 4.377 0.005 1 877 80 80 GLN HB2 H 2.135 0.000 2 878 80 80 GLN HB3 H 2.059 0.006 2 879 80 80 GLN HE21 H 7.649 0.002 2 880 80 80 GLN HE22 H 6.882 0.000 2 881 80 80 GLN HG2 H 2.277 0.000 2 882 80 80 GLN HG3 H 2.523 0.001 2 883 80 80 GLN C C 178.171 0.000 1 884 80 80 GLN CA C 59.231 0.000 1 885 80 80 GLN CB C 29.233 0.000 1 886 80 80 GLN CG C 34.600 0.000 1 887 80 80 GLN N N 126.129 0.000 1 888 80 80 GLN NE2 N 111.506 0.000 1 889 81 81 GLU H H 8.934 0.000 1 890 81 81 GLU HA H 3.986 0.000 1 891 81 81 GLU HB2 H 1.933 0.000 2 892 81 81 GLU HB3 H 2.036 0.000 2 893 81 81 GLU HG2 H 2.349 0.000 2 894 81 81 GLU HG3 H 2.288 0.000 2 895 81 81 GLU C C 179.243 0.000 1 896 81 81 GLU CA C 59.988 0.000 1 897 81 81 GLU CB C 28.915 0.000 1 898 81 81 GLU CG C 36.365 0.000 1 899 81 81 GLU N N 118.895 0.000 1 900 82 82 LEU H H 7.449 0.004 1 901 82 82 LEU HA H 4.032 0.000 1 902 82 82 LEU HB2 H 0.891 0.000 2 903 82 82 LEU HB3 H 1.605 0.000 2 904 82 82 LEU HD1 H 0.781 0.000 2 905 82 82 LEU HD2 H 0.613 0.001 2 906 82 82 LEU HG H 1.490 0.004 1 907 82 82 LEU C C 180.687 0.000 1 908 82 82 LEU CA C 57.040 0.000 1 909 82 82 LEU CB C 41.265 0.000 1 910 82 82 LEU CD1 C 25.585 0.000 1 911 82 82 LEU CD2 C 22.023 0.000 1 912 82 82 LEU CG C 27.021 0.000 1 913 82 82 LEU N N 118.456 0.000 1 914 83 83 ASN H H 7.989 0.004 1 915 83 83 ASN HA H 4.839 0.000 1 916 83 83 ASN HB2 H 2.844 0.003 2 917 83 83 ASN HB3 H 2.843 0.000 2 918 83 83 ASN HD21 H 7.420 0.000 2 919 83 83 ASN HD22 H 6.950 0.002 2 920 83 83 ASN C C 176.861 0.000 1 921 83 83 ASN CA C 56.317 0.000 1 922 83 83 ASN CB C 37.536 0.000 1 923 83 83 ASN N N 118.947 0.000 1 924 83 83 ASN ND2 N 114.681 0.000 1 925 84 84 ARG H H 8.919 0.000 1 926 84 84 ARG HA H 3.838 0.000 1 927 84 84 ARG HB2 H 2.024 0.000 2 928 84 84 ARG HB3 H 1.838 0.000 2 929 84 84 ARG HD2 H 3.237 0.004 2 930 84 84 ARG HD3 H 3.237 0.000 2 931 84 84 ARG HG2 H 1.497 0.000 2 932 84 84 ARG HG3 H 1.592 0.008 2 933 84 84 ARG C C 177.233 0.000 1 934 84 84 ARG CA C 60.510 0.000 1 935 84 84 ARG CB C 29.796 0.000 1 936 84 84 ARG CD C 43.371 0.000 1 937 84 84 ARG CG C 28.280 0.000 1 938 84 84 ARG N N 123.144 0.000 1 939 85 85 GLU H H 7.673 0.000 1 940 85 85 GLU HA H 3.925 0.000 1 941 85 85 GLU HB2 H 2.053 0.000 2 942 85 85 GLU HB3 H 2.036 0.001 2 943 85 85 GLU HG2 H 2.251 0.000 2 944 85 85 GLU HG3 H 2.412 0.000 2 945 85 85 GLU C C 179.392 0.000 1 946 85 85 GLU CA C 59.198 0.000 1 947 85 85 GLU CB C 29.516 0.000 1 948 85 85 GLU CG C 36.058 0.000 1 949 85 85 GLU N N 116.902 0.000 1 950 86 86 ALA H H 7.982 0.002 1 951 86 86 ALA HA H 4.256 0.005 1 952 86 86 ALA HB H 1.714 0.001 1 953 86 86 ALA C C 180.166 0.000 1 954 86 86 ALA CA C 54.662 0.000 1 955 86 86 ALA CB C 18.724 0.000 1 956 86 86 ALA N N 121.786 0.000 1 957 87 87 ALA H H 8.508 0.003 1 958 87 87 ALA HA H 3.953 0.003 1 959 87 87 ALA HB H 1.417 0.002 1 960 87 87 ALA C C 178.871 0.000 1 961 87 87 ALA CA C 55.190 0.000 1 962 87 87 ALA CB C 18.287 0.000 1 963 87 87 ALA N N 121.905 0.000 1 964 88 88 ILE H H 8.005 0.000 1 965 88 88 ILE HA H 3.321 0.001 1 966 88 88 ILE HB H 1.757 0.000 1 967 88 88 ILE HD1 H 0.752 0.001 1 968 88 88 ILE HG12 H 0.724 0.000 2 969 88 88 ILE HG13 H 1.790 0.000 2 970 88 88 ILE HG2 H 0.830 0.000 1 971 88 88 ILE C C 177.218 0.000 1 972 88 88 ILE CA C 65.545 0.000 1 973 88 88 ILE CB C 38.091 0.000 1 974 88 88 ILE CD1 C 13.293 0.000 1 975 88 88 ILE CG1 C 30.287 0.000 1 976 88 88 ILE CG2 C 17.543 0.000 1 977 88 88 ILE N N 117.848 0.000 1 978 89 89 ALA H H 8.132 0.006 1 979 89 89 ALA HA H 4.054 0.003 1 980 89 89 ALA HB H 1.504 0.000 1 981 89 89 ALA C C 181.462 0.000 1 982 89 89 ALA CA C 55.037 0.000 1 983 89 89 ALA CB C 17.635 0.000 1 984 89 89 ALA N N 120.561 0.000 1 985 90 90 ARG H H 8.149 0.006 1 986 90 90 ARG HA H 4.131 0.003 1 987 90 90 ARG HB2 H 2.011 0.002 2 988 90 90 ARG HB3 H 2.004 0.000 2 989 90 90 ARG HD2 H 3.251 0.000 2 990 90 90 ARG HD3 H 3.250 0.002 2 991 90 90 ARG HG2 H 1.793 0.000 2 992 90 90 ARG HG3 H 1.790 0.000 2 993 90 90 ARG C C 177.680 0.000 1 994 90 90 ARG CA C 58.455 0.000 1 995 90 90 ARG CB C 29.605 0.000 1 996 90 90 ARG CD C 43.276 0.000 1 997 90 90 ARG CG C 27.232 0.000 1 998 90 90 ARG N N 119.460 0.000 1 999 91 91 LEU H H 8.000 0.000 1 1000 91 91 LEU HA H 3.746 0.003 1 1001 91 91 LEU HB2 H 1.330 0.003 2 1002 91 91 LEU HB3 H 2.248 0.001 2 1003 91 91 LEU HD1 H 0.474 0.001 2 1004 91 91 LEU HD2 H 0.616 0.002 2 1005 91 91 LEU HG H 1.146 0.001 1 1006 91 91 LEU C C 177.546 0.000 1 1007 91 91 LEU CA C 58.063 0.000 1 1008 91 91 LEU CB C 41.034 0.000 1 1009 91 91 LEU CD1 C 26.343 0.000 1 1010 91 91 LEU CD2 C 23.769 0.000 1 1011 91 91 LEU CG C 26.774 0.000 1 1012 91 91 LEU N N 121.977 0.000 1 1013 92 92 VAL H H 8.255 0.003 1 1014 92 92 VAL HA H 3.133 0.004 1 1015 92 92 VAL HB H 2.046 0.000 1 1016 92 92 VAL HG1 H 0.938 0.007 2 1017 92 92 VAL HG2 H 0.886 0.006 2 1018 92 92 VAL C C 177.397 0.000 1 1019 92 92 VAL CA C 67.078 0.000 1 1020 92 92 VAL CB C 31.676 0.000 1 1021 92 92 VAL CG1 C 21.235 0.000 1 1022 92 92 VAL CG2 C -5.648 0.000 1 1023 92 92 VAL N N 117.619 0.000 1 1024 93 93 ALA H H 7.960 0.001 1 1025 93 93 ALA HA H 4.058 0.005 1 1026 93 93 ALA HB H 1.541 0.000 1 1027 93 93 ALA C C 181.000 0.000 1 1028 93 93 ALA CA C 55.335 0.000 1 1029 93 93 ALA CB C 18.194 0.000 1 1030 93 93 ALA N N 119.606 0.000 1 1031 94 94 VAL H H 8.262 0.000 1 1032 94 94 VAL HA H 3.787 0.005 1 1033 94 94 VAL HB H 2.011 0.000 1 1034 94 94 VAL HG1 H 0.587 0.001 2 1035 94 94 VAL HG2 H 0.718 0.005 2 1036 94 94 VAL C C 176.980 0.000 1 1037 94 94 VAL CA C 65.462 0.000 1 1038 94 94 VAL CB C 31.295 0.000 1 1039 94 94 VAL CG1 C 20.293 0.000 1 1040 94 94 VAL CG2 C 23.117 0.000 1 1041 94 94 VAL N N 119.784 0.000 1 1042 95 95 ILE H H 7.979 0.000 1 1043 95 95 ILE HA H 3.497 0.000 1 1044 95 95 ILE HB H 1.818 0.005 1 1045 95 95 ILE HD1 H 0.452 0.001 1 1046 95 95 ILE HG12 H 0.775 0.000 2 1047 95 95 ILE HG13 H 1.812 0.000 2 1048 95 95 ILE HG2 H 0.865 0.004 1 1049 95 95 ILE C C 179.854 0.000 1 1050 95 95 ILE CA C 66.179 0.000 1 1051 95 95 ILE CB C 37.411 0.000 1 1052 95 95 ILE CD1 C 13.379 0.000 1 1053 95 95 ILE CG1 C 28.975 0.000 1 1054 95 95 ILE CG2 C 17.487 0.000 1 1055 95 95 ILE N N 119.542 0.000 1 1056 96 96 LYS H H 8.757 0.000 1 1057 96 96 LYS HA H 3.739 0.002 1 1058 96 96 LYS HB2 H 1.862 0.001 2 1059 96 96 LYS HB3 H 1.854 0.002 2 1060 96 96 LYS HD2 H 1.657 0.001 2 1061 96 96 LYS HD3 H 1.712 0.002 2 1062 96 96 LYS HE2 H 3.020 0.001 2 1063 96 96 LYS HE3 H 2.910 0.003 2 1064 96 96 LYS HG2 H 1.715 0.000 2 1065 96 96 LYS HG3 H 1.380 0.000 2 1066 96 96 LYS C C 178.692 0.000 1 1067 96 96 LYS CA C 60.476 0.000 1 1068 96 96 LYS CB C 32.442 0.000 1 1069 96 96 LYS CD C 29.627 0.000 1 1070 96 96 LYS CE C 41.945 0.000 1 1071 96 96 LYS CG C 26.111 0.000 1 1072 96 96 LYS N N 120.840 0.000 1 1073 97 97 GLU H H 8.182 0.004 1 1074 97 97 GLU HA H 4.020 0.003 1 1075 97 97 GLU HB2 H 2.248 0.001 2 1076 97 97 GLU HB3 H 2.161 0.001 2 1077 97 97 GLU HG2 H 2.386 0.004 2 1078 97 97 GLU HG3 H 2.203 0.000 2 1079 97 97 GLU C C 179.303 0.000 1 1080 97 97 GLU CA C 59.182 0.000 1 1081 97 97 GLU CB C 29.806 0.000 1 1082 97 97 GLU CG C 35.851 0.000 1 1083 97 97 GLU N N 119.125 0.000 1 1084 98 98 LEU H H 7.845 0.002 1 1085 98 98 LEU HA H 4.306 0.002 1 1086 98 98 LEU HB2 H 1.350 0.000 2 1087 98 98 LEU HB3 H 1.704 0.002 2 1088 98 98 LEU HD1 H 0.922 0.000 2 1089 98 98 LEU HD2 H 0.611 0.004 2 1090 98 98 LEU HG H 1.865 0.000 1 1091 98 98 LEU C C 177.740 0.000 1 1092 98 98 LEU CA C 55.751 0.000 1 1093 98 98 LEU CB C 42.831 0.000 1 1094 98 98 LEU CD1 C 22.400 0.000 1 1095 98 98 LEU CD2 C 26.401 0.000 1 1096 98 98 LEU CG C 26.619 0.000 1 1097 98 98 LEU N N 114.950 0.000 1 1098 99 99 THR H H 7.458 0.005 1 1099 99 99 THR HA H 4.164 0.000 1 1100 99 99 THR HB H 3.840 0.000 1 1101 99 99 THR HG2 H 0.859 0.002 1 1102 99 99 THR C C 174.003 0.000 1 1103 99 99 THR CA C 61.314 0.000 1 1104 99 99 THR CB C 69.483 0.000 1 1105 99 99 THR CG2 C 21.179 0.000 1 1106 99 99 THR N N 105.434 0.000 1 1107 100 100 ALA H H 7.179 0.003 1 1108 100 100 ALA HA H 4.325 0.000 1 1109 100 100 ALA HB H 1.486 0.002 1 1110 100 100 ALA C C 177.814 0.000 1 1111 100 100 ALA CA C 52.768 0.000 1 1112 100 100 ALA CB C 19.291 0.000 1 1113 100 100 ALA N N 125.198 0.000 1 1114 101 101 GLU H H 8.522 0.000 1 1115 101 101 GLU HA H 4.263 0.000 1 1116 101 101 GLU HB2 H 2.049 0.000 2 1117 101 101 GLU HB3 H 1.988 0.000 2 1118 101 101 GLU HG2 H 2.349 0.000 2 1119 101 101 GLU HG3 H 2.282 0.001 2 1120 101 101 GLU C C 176.444 0.000 1 1121 101 101 GLU CA C 56.616 0.000 1 1122 101 101 GLU CB C 30.146 0.000 1 1123 101 101 GLU CG C 36.188 0.000 1 1124 101 101 GLU N N 121.015 0.000 1 1125 102 102 GLN H H 8.169 0.000 1 1126 102 102 GLN HA H 4.579 0.000 1 1127 102 102 GLN HB2 H 3.004 0.000 2 1128 102 102 GLN HB3 H 3.075 0.000 2 1129 102 102 GLN HE21 H 7.166 0.000 2 1130 102 102 GLN HE22 H 7.066 0.000 2 1131 102 102 GLN HG2 H 3.149 0.000 2 1132 102 102 GLN HG3 H 3.149 0.000 2 1133 102 102 GLN C C 173.943 0.000 1 1134 102 102 GLN CA C 55.891 0.000 1 1135 102 102 GLN CB C 29.949 0.000 1 1136 102 102 GLN CG C 32.917 0.000 1 1137 102 102 GLN N N 118.678 0.000 1 1138 103 103 LYS H H 8.124 0.000 1 1139 103 103 LYS HA H 4.640 0.000 1 1140 103 103 LYS HB2 H 1.858 0.002 2 1141 103 103 LYS HB3 H 1.886 0.002 2 1142 103 103 LYS HD2 H 1.608 0.002 2 1143 103 103 LYS HD3 H 1.608 0.002 2 1144 103 103 LYS HE2 H 2.928 0.002 2 1145 103 103 LYS HE3 H 2.928 0.002 2 1146 103 103 LYS HG2 H 1.378 0.002 2 1147 103 103 LYS HG3 H 1.368 0.002 2 1148 103 103 LYS C C 175.685 0.000 1 1149 103 103 LYS CA C 57.132 0.000 1 1150 103 103 LYS CB C 30.243 0.000 1 1151 103 103 LYS CD C 27.977 0.000 1 1152 103 103 LYS CE C 40.977 0.000 1 1153 103 103 LYS CG C 24.107 0.000 1 1154 103 103 LYS N N 125.153 0.000 1 1155 104 104 SER H H 7.194 0.000 1 1156 104 104 SER HA H 4.338 0.000 1 1157 104 104 SER HB2 H 4.217 0.000 2 1158 104 104 SER HB3 H 3.748 0.000 2 1159 104 104 SER CA C 56.956 0.000 1 1160 104 104 SER CB C 65.798 0.000 1 1161 104 104 SER N N 110.819 0.000 1 1162 105 105 ARG C C 174.434 0.000 1 1163 106 106 ARG H H 8.238 0.002 1 1164 106 106 ARG HA H 4.175 0.002 1 1165 106 106 ARG HB2 H 1.674 0.002 2 1166 106 106 ARG HB3 H 1.688 0.002 2 1167 106 106 ARG HD2 H 3.128 0.002 2 1168 106 106 ARG HD3 H 3.128 0.002 2 1169 106 106 ARG HG2 H 1.578 0.002 2 1170 106 106 ARG HG3 H 1.578 0.002 2 1171 106 106 ARG C C 176.370 0.000 1 1172 106 106 ARG CA C 56.445 0.000 1 1173 106 106 ARG CB C 33.001 0.000 1 1174 106 106 ARG CD C 42.297 0.000 1 1175 106 106 ARG CG C 26.507 0.000 1 1176 106 106 ARG N N 119.686 0.000 1 1177 107 107 ALA H H 8.208 0.000 1 1178 107 107 ALA HA H 4.402 0.000 1 1179 107 107 ALA HB H 1.379 0.000 1 1180 107 107 ALA C C 176.668 0.000 1 1181 107 107 ALA CA C 52.405 0.000 1 1182 107 107 ALA CB C 19.204 0.000 1 1183 107 107 ALA N N 124.706 0.000 1 1184 108 108 THR H H 8.158 0.000 1 1185 108 108 THR HA H 4.334 0.000 1 1186 108 108 THR HB H 4.182 0.000 1 1187 108 108 THR HG2 H 1.209 0.000 1 1188 108 108 THR C C 174.315 0.000 1 1189 108 108 THR CA C 61.498 0.000 1 1190 108 108 THR CB C 69.989 0.000 1 1191 108 108 THR CG2 C 21.783 0.000 1 1192 108 108 THR N N 113.979 0.000 1 1193 109 109 ARG H H 8.367 0.000 1 1194 109 109 ARG HA H 4.640 0.000 1 1195 109 109 ARG HB2 H 1.860 0.000 2 1196 109 109 ARG HB3 H 1.753 0.000 2 1197 109 109 ARG HD2 H 3.206 0.000 2 1198 109 109 ARG HD3 H 3.204 0.000 2 1199 109 109 ARG HG2 H 1.675 0.000 2 1200 109 109 ARG HG3 H 1.675 0.000 2 1201 109 109 ARG CA C 53.826 0.000 1 1202 109 109 ARG CB C 30.154 0.000 1 1203 109 109 ARG CD C 43.158 0.000 1 1204 109 109 ARG CG C 26.774 0.000 1 1205 109 109 ARG N N 124.391 0.000 1 1206 110 110 PRO HA H 4.516 0.000 1 1207 110 110 PRO HB2 H 2.322 0.000 2 1208 110 110 PRO HB3 H 1.921 0.000 2 1209 110 110 PRO HD2 H 3.837 0.000 2 1210 110 110 PRO HD3 H 3.660 0.000 2 1211 110 110 PRO HG2 H 2.044 0.000 2 1212 110 110 PRO HG3 H 2.036 0.000 2 1213 110 110 PRO C C 177.070 0.000 1 1214 110 110 PRO CA C 62.941 0.000 1 1215 110 110 PRO CB C 32.202 0.000 1 1216 110 110 PRO CD C 50.587 0.000 1 1217 110 110 PRO CG C 27.348 0.000 1 1218 111 111 THR H H 8.333 0.000 1 1219 111 111 THR HA H 4.327 0.000 1 1220 111 111 THR HB H 4.225 0.000 1 1221 111 111 THR HG2 H 1.242 0.000 1 1222 111 111 THR C C 174.673 0.000 1 1223 111 111 THR CA C 61.652 0.000 1 1224 111 111 THR CB C 69.918 0.000 1 1225 111 111 THR CG2 C 21.232 0.000 1 1226 111 111 THR N N 115.030 0.000 1 1227 112 112 ARG H H 8.401 0.000 1 1228 112 112 ARG HA H 4.331 0.000 1 1229 112 112 ARG HB2 H 1.764 0.000 2 1230 112 112 ARG HB3 H 1.879 0.000 2 1231 112 112 ARG HD2 H 3.207 0.000 2 1232 112 112 ARG HD3 H 3.194 0.000 2 1233 112 112 ARG HG2 H 1.648 0.000 2 1234 112 112 ARG HG3 H 1.634 0.000 2 1235 112 112 ARG C C 176.057 0.000 1 1236 112 112 ARG CA C 56.069 0.000 1 1237 112 112 ARG CB C 30.675 0.000 1 1238 112 112 ARG CD C 43.149 0.000 1 1239 112 112 ARG CG C 27.075 0.000 1 1240 112 112 ARG N N 123.486 0.000 1 1241 113 113 ALA H H 8.407 0.000 1 1242 113 113 ALA HA H 4.287 0.000 1 1243 113 113 ALA HB H 1.394 0.000 1 1244 113 113 ALA C C 177.903 0.000 1 1245 113 113 ALA CA C 52.558 0.000 1 1246 113 113 ALA CB C 19.246 0.000 1 1247 113 113 ALA N N 125.310 0.000 1 1248 114 114 SER H H 8.304 0.000 1 1249 114 114 SER HA H 4.414 0.000 1 1250 114 114 SER HB2 H 3.921 0.000 2 1251 114 114 SER HB3 H 3.878 0.000 2 1252 114 114 SER CA C 58.383 0.000 1 1253 114 114 SER CB C 63.702 0.000 1 1254 114 114 SER N N 115.755 0.000 1 1255 115 115 LYS C C 176.772 0.000 1 1256 116 116 GLU H H 8.590 0.000 1 1257 116 116 GLU HA H 4.359 0.000 1 1258 116 116 GLU HB2 H 1.988 0.000 2 1259 116 116 GLU HB3 H 1.990 0.000 2 1260 116 116 GLU HG2 H 2.395 0.000 2 1261 116 116 GLU HG3 H 2.393 0.000 2 1262 116 116 GLU CA C 55.798 0.000 1 1263 116 116 GLU CB C 29.267 0.000 1 1264 116 116 GLU CG C 33.717 0.000 1 1265 116 116 GLU N N 122.309 0.000 1 1266 118 118 ARG C C 176.236 0.000 1 1267 119 119 LEU H H 8.382 0.000 1 1268 119 119 LEU HA H 4.388 0.000 1 1269 119 119 LEU HB2 H 1.593 0.000 2 1270 119 119 LEU HB3 H 1.674 0.000 2 1271 119 119 LEU HD1 H 0.874 0.000 2 1272 119 119 LEU HD2 H 0.865 0.000 2 1273 119 119 LEU HG H 1.617 0.000 1 1274 119 119 LEU C C 177.516 0.000 1 1275 119 119 LEU CA C 55.046 0.000 1 1276 119 119 LEU CB C 42.303 0.000 1 1277 119 119 LEU CD1 C 23.362 0.000 1 1278 119 119 LEU CD2 C 23.081 0.000 1 1279 119 119 LEU CG C 27.098 0.000 1 1280 119 119 LEU N N 122.800 0.000 1 1281 120 120 SER H H 8.332 0.000 1 1282 120 120 SER HA H 4.481 0.000 1 1283 120 120 SER HB2 H 3.884 0.000 2 1284 120 120 SER HB3 H 3.931 0.000 2 1285 120 120 SER CA C 58.150 0.000 1 1286 120 120 SER CB C 63.731 0.000 1 1287 120 120 SER N N 116.629 0.000 1 1288 121 121 SER H H 8.286 0.000 1 1289 122 122 LYS HA H 4.419 0.000 1 1290 122 122 LYS C C 175.864 0.000 1 1291 123 123 ALA H H 8.460 0.000 1 1292 123 123 ALA HA H 4.299 0.000 1 1293 123 123 ALA HB H 1.342 0.000 1 1294 123 123 ALA C C 177.263 0.000 1 1295 123 123 ALA CA C 52.072 0.000 1 1296 123 123 ALA CB C 19.538 0.000 1 1297 123 123 ALA N N 126.115 0.000 1 1298 124 124 GLN H H 8.489 0.000 1 1299 124 124 GLN HA H 4.367 0.000 1 1300 124 124 GLN HB2 H 1.973 0.000 2 1301 124 124 GLN HB3 H 2.089 0.000 2 1302 124 124 GLN HE21 H 7.166 0.000 2 1303 124 124 GLN HE22 H 7.061 0.000 2 1304 124 124 GLN HG2 H 2.357 0.000 2 1305 124 124 GLN HG3 H 2.357 0.000 2 1306 124 124 GLN CA C 55.690 0.000 1 1307 124 124 GLN CB C 29.852 0.000 1 1308 124 124 GLN CG C 33.628 0.000 1 1309 124 124 GLN N N 120.108 0.000 1 1310 125 125 LYS C C 176.742 0.000 1 1311 126 126 SER H H 8.359 0.000 1 1312 126 126 SER HA H 4.625 0.000 1 1313 126 126 SER HB2 H 3.923 0.000 2 1314 126 126 SER HB3 H 3.872 0.000 2 1315 126 126 SER C C 174.300 0.000 1 1316 126 126 SER CA C 58.210 0.000 1 1317 126 126 SER CB C 63.747 0.000 1 1318 126 126 SER N N 116.704 0.000 1 1319 127 127 SER H H 8.389 0.000 1 1320 127 127 SER HA H 4.539 0.000 1 1321 127 127 SER HB2 H 3.745 0.000 2 1322 127 127 SER HB3 H 3.753 0.000 2 1323 127 127 SER C C 174.673 0.000 1 1324 127 127 SER CA C 58.107 0.000 1 1325 127 127 SER CB C 63.717 0.000 1 1326 127 127 SER N N 117.290 0.000 1 1327 128 128 VAL H H 8.114 0.002 1 1328 128 128 VAL HA H 4.088 0.000 1 1329 128 128 VAL HB H 2.057 0.000 1 1330 128 128 VAL HG1 H 0.887 0.000 2 1331 128 128 VAL HG2 H 0.939 0.000 2 1332 128 128 VAL C C 176.414 0.000 1 1333 128 128 VAL CA C 62.572 0.000 1 1334 128 128 VAL CB C 32.443 0.000 1 1335 128 128 VAL CG1 C 20.577 0.000 1 1336 128 128 VAL CG2 C 20.507 0.000 1 1337 128 128 VAL N N 121.751 0.000 1 1338 129 129 LYS H H 8.312 0.000 1 1339 129 129 LYS HA H 4.270 0.000 1 1340 129 129 LYS HB2 H 1.788 0.002 2 1341 129 129 LYS HB3 H 1.778 0.002 2 1342 129 129 LYS HD2 H 1.608 0.002 2 1343 129 129 LYS HD3 H 1.608 0.002 2 1344 129 129 LYS HE2 H 2.928 0.002 2 1345 129 129 LYS HE3 H 2.928 0.002 2 1346 129 129 LYS HG2 H 1.378 0.002 2 1347 129 129 LYS HG3 H 1.368 0.002 2 1348 129 129 LYS C C 176.578 0.000 1 1349 129 129 LYS CA C 56.415 0.000 1 1350 129 129 LYS CB C 32.895 0.000 1 1351 129 129 LYS CD C 27.977 0.000 1 1352 129 129 LYS CE C 40.977 0.000 1 1353 129 129 LYS CG C 24.107 0.000 1 1354 129 129 LYS N N 124.854 0.000 1 1355 130 130 ALA H H 8.198 0.002 1 1356 130 130 ALA HA H 4.283 0.000 1 1357 130 130 ALA HB H 1.376 0.000 1 1358 130 130 ALA C C 177.650 0.000 1 1359 130 130 ALA CA C 52.367 0.000 1 1360 130 130 ALA CB C 19.307 0.000 1 1361 130 130 ALA N N 124.584 0.000 1 1362 131 131 LEU H H 8.175 0.000 1 1363 131 131 LEU HA H 4.329 0.000 1 1364 131 131 LEU HB2 H 1.674 0.000 2 1365 131 131 LEU HB3 H 1.591 0.000 2 1366 131 131 LEU HD1 H 0.865 0.000 2 1367 131 131 LEU HD2 H 0.876 0.000 2 1368 131 131 LEU HG H 1.538 0.002 1 1369 131 131 LEU C C 177.486 0.000 1 1370 131 131 LEU CA C 55.063 0.000 1 1371 131 131 LEU CB C 42.254 0.000 1 1372 131 131 LEU CD1 C 23.362 0.000 1 1373 131 131 LEU CD2 C 23.297 0.000 1 1374 131 131 LEU CG C 25.967 0.000 1 1375 131 131 LEU N N 121.560 0.000 1 1376 132 132 ARG H H 8.292 0.000 1 1377 132 132 ARG HA H 4.320 0.000 1 1378 132 132 ARG HB2 H 1.777 0.000 2 1379 132 132 ARG HB3 H 1.855 0.000 2 1380 132 132 ARG HD2 H 3.192 0.000 2 1381 132 132 ARG HD3 H 3.187 0.000 2 1382 132 132 ARG HG2 H 1.653 0.000 2 1383 132 132 ARG HG3 H 1.653 0.000 2 1384 132 132 ARG C C 176.742 0.000 1 1385 132 132 ARG CA C 56.147 0.000 1 1386 132 132 ARG CB C 30.418 0.000 1 1387 132 132 ARG CD C 43.286 0.000 1 1388 132 132 ARG CG C 27.185 0.000 1 1389 132 132 ARG N N 121.452 0.000 1 1390 133 133 GLY H H 8.359 0.000 1 1391 133 133 GLY HA2 H 3.929 0.000 2 1392 133 133 GLY HA3 H 3.980 0.000 2 1393 133 133 GLY C C 173.839 0.000 1 1394 133 133 GLY CA C 45.063 0.000 1 1395 133 133 GLY N N 109.620 0.000 1 1396 134 134 LYS H H 8.182 0.000 1 1397 134 134 LYS HA H 4.354 0.000 1 1398 134 134 LYS HB2 H 1.790 0.000 2 1399 134 134 LYS HB3 H 1.785 0.000 2 1400 134 134 LYS HD2 H 1.678 0.000 2 1401 134 134 LYS HD3 H 1.674 0.000 2 1402 134 134 LYS HE2 H 2.993 0.000 2 1403 134 134 LYS HE3 H 2.996 0.000 2 1404 134 134 LYS HG2 H 1.469 0.000 2 1405 134 134 LYS HG3 H 1.425 0.000 2 1406 134 134 LYS C C 176.578 0.000 1 1407 134 134 LYS CA C 56.068 0.000 1 1408 134 134 LYS CB C 32.964 0.000 1 1409 134 134 LYS CD C 28.981 0.000 1 1410 134 134 LYS CE C 42.048 0.000 1 1411 134 134 LYS CG C 24.780 0.000 1 1412 134 134 LYS N N 120.812 0.000 1 1413 135 135 VAL H H 8.148 0.000 1 1414 135 135 VAL HA H 4.086 0.000 1 1415 135 135 VAL HB H 2.094 0.000 1 1416 135 135 VAL HG1 H 0.940 0.000 2 1417 135 135 VAL HG2 H 0.948 0.000 2 1418 135 135 VAL C C 175.953 0.000 1 1419 135 135 VAL CA C 62.025 0.000 1 1420 135 135 VAL CB C 32.494 0.000 1 1421 135 135 VAL CG1 C 20.577 0.000 1 1422 135 135 VAL CG2 C 20.507 0.000 1 1423 135 135 VAL N N 121.472 0.000 1 1424 136 136 ARG H H 8.485 0.000 1 1425 136 136 ARG HA H 4.347 0.000 1 1426 136 136 ARG HB2 H 1.785 0.000 2 1427 136 136 ARG HB3 H 1.780 0.000 2 1428 136 136 ARG HD2 H 3.204 0.000 2 1429 136 136 ARG HD3 H 3.206 0.000 2 1430 136 136 ARG HG2 H 1.655 0.000 2 1431 136 136 ARG HG3 H 1.658 0.000 2 1432 136 136 ARG C C 175.789 0.000 1 1433 136 136 ARG CA C 55.749 0.000 1 1434 136 136 ARG CB C 30.744 0.000 1 1435 136 136 ARG CD C 43.261 0.000 1 1436 136 136 ARG CG C 27.060 0.000 1 1437 136 136 ARG N N 125.823 0.000 1 1438 137 137 ARG H H 8.441 0.000 1 1439 137 137 ARG HA H 4.643 0.000 1 1440 137 137 ARG HB2 H 1.730 0.000 2 1441 137 137 ARG HB3 H 1.857 0.000 2 1442 137 137 ARG HD2 H 3.203 0.000 2 1443 137 137 ARG HD3 H 3.203 0.000 2 1444 137 137 ARG HG2 H 1.674 0.000 2 1445 137 137 ARG HG3 H 1.675 0.000 2 1446 137 137 ARG CA C 53.831 0.000 1 1447 137 137 ARG CB C 29.857 0.000 1 1448 137 137 ARG CD C 43.415 0.000 1 1449 137 137 ARG CG C 26.905 0.000 1 1450 137 137 ARG N N 124.073 0.000 1 1451 138 138 PRO HA H 4.385 0.000 1 1452 138 138 PRO HB2 H 1.915 0.000 2 1453 138 138 PRO HB3 H 2.308 0.000 2 1454 138 138 PRO HD2 H 3.809 0.000 2 1455 138 138 PRO HD3 H 3.645 0.000 2 1456 138 138 PRO HG2 H 2.005 0.000 2 1457 138 138 PRO HG3 H 2.005 0.000 2 1458 138 138 PRO C C 176.965 0.000 1 1459 138 138 PRO CA C 63.216 0.000 1 1460 138 138 PRO CB C 32.194 0.000 1 1461 138 138 PRO CD C 50.475 0.000 1 1462 138 138 PRO CG C 27.314 0.000 1 1463 139 139 LEU H H 8.308 0.000 1 1464 139 139 LEU HA H 4.252 0.000 1 1465 139 139 LEU HB2 H 1.629 0.000 2 1466 139 139 LEU HB3 H 1.547 0.000 2 1467 139 139 LEU HD1 H 0.849 0.000 2 1468 139 139 LEU HD2 H 0.837 0.000 2 1469 139 139 LEU HG H 1.565 0.000 1 1470 139 139 LEU C C 177.204 0.000 1 1471 139 139 LEU CA C 55.305 0.000 1 1472 139 139 LEU CB C 42.030 0.000 1 1473 139 139 LEU CD1 C 23.538 0.000 1 1474 139 139 LEU CD2 C 23.387 0.000 1 1475 139 139 LEU CG C 25.967 0.000 1 1476 139 139 LEU N N 121.478 0.000 1 1477 140 140 ASP H H 8.275 0.000 1 1478 140 140 ASP HA H 4.595 0.000 1 1479 140 140 ASP HB2 H 2.638 0.000 2 1480 140 140 ASP HB3 H 2.736 0.000 2 1481 140 140 ASP C C 176.325 0.000 1 1482 140 140 ASP CA C 54.133 0.000 1 1483 140 140 ASP CB C 40.876 0.000 1 1484 140 140 ASP N N 120.600 0.000 1 1485 141 141 LEU H H 8.125 0.000 1 1486 141 141 LEU HA H 4.241 0.000 1 1487 141 141 LEU HB2 H 1.609 0.000 2 1488 141 141 LEU HB3 H 1.542 0.000 2 1489 141 141 LEU HD1 H 0.833 0.000 2 1490 141 141 LEU HD2 H 0.854 0.000 2 1491 141 141 LEU HG H 1.538 0.002 1 1492 141 141 LEU C C 177.680 0.000 1 1493 141 141 LEU CA C 55.369 0.000 1 1494 141 141 LEU CB C 42.157 0.000 1 1495 141 141 LEU CD1 C 23.218 0.000 1 1496 141 141 LEU CD2 C 23.365 0.000 1 1497 141 141 LEU CG C 25.967 0.000 1 1498 141 141 LEU N N 121.801 0.000 1 1499 142 142 GLU H H 8.255 0.000 1 1500 142 142 GLU HA H 4.140 0.000 1 1501 142 142 GLU HB2 H 1.877 0.000 2 1502 142 142 GLU HB3 H 1.889 0.000 2 1503 142 142 GLU HG2 H 2.111 0.000 2 1504 142 142 GLU HG3 H 2.196 0.000 2 1505 142 142 GLU C C 176.578 0.000 1 1506 142 142 GLU CA C 56.838 0.000 1 1507 142 142 GLU CB C 29.996 0.000 1 1508 142 142 GLU CG C 36.089 0.000 1 1509 142 142 GLU N N 119.674 0.000 1 1510 143 143 HIS H H 8.360 0.000 1 1511 143 143 HIS HA H 4.652 0.000 1 1512 143 143 HIS HB2 H 3.118 0.002 2 1513 143 143 HIS HB3 H 3.108 0.002 2 1514 143 143 HIS HD2 H 7.078 0.002 1 1515 143 143 HIS CA C 56.071 0.000 1 1516 143 143 HIS CB C 30.588 0.000 1 1517 143 143 HIS CD2 C 119.037 0.000 1 1518 143 143 HIS N N 122.484 0.000 1 stop_ save_