data_27191 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ProXp-ala bound to microhelixPro ; _BMRB_accession_number 27191 _BMRB_flat_file_name bmr27191.str _Entry_type original _Submission_date 2017-07-21 _Accession_date 2017-07-21 _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 Danhart Eric . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 451 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-02 update BMRB 'update entry citation' 2017-08-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27185 'ProXp-ala free form' stop_ _Original_release_date 2017-07-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational and chemical selection by a trans-acting editing domain. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28768811 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Danhart Eric M. . 2 Bakhtina Marina . . 3 Cantara William A. . 4 Kuzmishin Alexandra B. . 5 Ma Xiao . . 6 Sanford Brianne L. . 7 Kosutic Marija . . 8 Goto Yuki . . 9 Suga Hiroaki . . 10 Nakanishi Kotaro . . 11 Micura Ronald . . 12 Foster Mark P. . 13 Musier-Forsyth Karin . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 114 _Journal_issue 33 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E6774 _Page_last E6783 _Year 2017 _Details . loop_ _Keyword NMR 'aminoacyl-tRNA synthetases' 'conformational selection' 'molecular dynamics' trans-editing stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ProXp-ala bound to microhelixPro' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ProXp-ala $ProXp-ala 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_ProXp-ala _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ProXp-ala _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GSHMKTRADLFAFFDAHGVD HKTLDHPPVFRVEEGLEIKA AMPGGHTKNLFLKDAKGQLW LISALGETTIDLKKLHHVIG SGRLSFGPQEMMLETLGVTP GSVTAFGLINDTEKRVRFVL DKALADSDPVNFHPLKNDAT TAVSQAGLRRFLAALGVEPM IVDFAAMEVVG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 LYS 6 3 THR 7 4 ARG 8 5 ALA 9 6 ASP 10 7 LEU 11 8 PHE 12 9 ALA 13 10 PHE 14 11 PHE 15 12 ASP 16 13 ALA 17 14 HIS 18 15 GLY 19 16 VAL 20 17 ASP 21 18 HIS 22 19 LYS 23 20 THR 24 21 LEU 25 22 ASP 26 23 HIS 27 24 PRO 28 25 PRO 29 26 VAL 30 27 PHE 31 28 ARG 32 29 VAL 33 30 GLU 34 31 GLU 35 32 GLY 36 33 LEU 37 34 GLU 38 35 ILE 39 36 LYS 40 37 ALA 41 38 ALA 42 39 MET 43 40 PRO 44 41 GLY 45 42 GLY 46 43 HIS 47 44 THR 48 45 LYS 49 46 ASN 50 47 LEU 51 48 PHE 52 49 LEU 53 50 LYS 54 51 ASP 55 52 ALA 56 53 LYS 57 54 GLY 58 55 GLN 59 56 LEU 60 57 TRP 61 58 LEU 62 59 ILE 63 60 SER 64 61 ALA 65 62 LEU 66 63 GLY 67 64 GLU 68 65 THR 69 66 THR 70 67 ILE 71 68 ASP 72 69 LEU 73 70 LYS 74 71 LYS 75 72 LEU 76 73 HIS 77 74 HIS 78 75 VAL 79 76 ILE 80 77 GLY 81 78 SER 82 79 GLY 83 80 ARG 84 81 LEU 85 82 SER 86 83 PHE 87 84 GLY 88 85 PRO 89 86 GLN 90 87 GLU 91 88 MET 92 89 MET 93 90 LEU 94 91 GLU 95 92 THR 96 93 LEU 97 94 GLY 98 95 VAL 99 96 THR 100 97 PRO 101 98 GLY 102 99 SER 103 100 VAL 104 101 THR 105 102 ALA 106 103 PHE 107 104 GLY 108 105 LEU 109 106 ILE 110 107 ASN 111 108 ASP 112 109 THR 113 110 GLU 114 111 LYS 115 112 ARG 116 113 VAL 117 114 ARG 118 115 PHE 119 116 VAL 120 117 LEU 121 118 ASP 122 119 LYS 123 120 ALA 124 121 LEU 125 122 ALA 126 123 ASP 127 124 SER 128 125 ASP 129 126 PRO 130 127 VAL 131 128 ASN 132 129 PHE 133 130 HIS 134 131 PRO 135 132 LEU 136 133 LYS 137 134 ASN 138 135 ASP 139 136 ALA 140 137 THR 141 138 THR 142 139 ALA 143 140 VAL 144 141 SER 145 142 GLN 146 143 ALA 147 144 GLY 148 145 LEU 149 146 ARG 150 147 ARG 151 148 PHE 152 149 LEU 153 150 ALA 154 151 ALA 155 152 LEU 156 153 GLY 157 154 VAL 158 155 GLU 159 156 PRO 160 157 MET 161 158 ILE 162 159 VAL 163 160 ASP 164 161 PHE 165 162 ALA 166 163 ALA 167 164 MET 168 165 GLU 169 166 VAL 170 167 VAL 171 168 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ProXp-ala 'Caulobacter vibrioides' 155892 Bacteria . Caulobacter crescentus 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 $ProXp-ala 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'ProXp-ala bound to microhelixPro RNA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ProXp-ala 0.65 mM '[U-100% 13C; U-100% 15N]' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.16 . M pH 7.5 . 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 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 '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' 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 ProXp-ala _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 0 3 HIS CA C 56.1303 0.0000 1 2 0 3 HIS CB C 28.1056 0.0000 1 3 1 4 MET H H 8.2092 0.0000 1 4 1 4 MET C C 178.0460 0.0000 1 5 1 4 MET CA C 55.3421 0.0000 1 6 1 4 MET CB C 30.2649 0.0000 1 7 1 4 MET N N 122.2467 0.0000 1 8 2 5 LYS H H 8.8945 0.0000 1 9 2 5 LYS C C 177.1824 0.0000 1 10 2 5 LYS CA C 56.2513 0.0000 1 11 2 5 LYS CB C 29.7483 0.0000 1 12 2 5 LYS N N 123.4810 0.0000 1 13 3 6 THR H H 9.0826 0.0000 1 14 3 6 THR C C 176.2047 0.0000 1 15 3 6 THR CA C 59.9102 0.0000 1 16 3 6 THR CB C 69.3598 0.0000 1 17 3 6 THR N N 112.3817 0.0000 1 18 4 7 ARG H H 8.8142 0.0000 1 19 4 7 ARG C C 177.7797 0.0000 1 20 4 7 ARG CA C 60.0269 0.0000 1 21 4 7 ARG CB C 27.2340 0.0000 1 22 4 7 ARG N N 121.4401 0.0000 1 23 5 8 ALA H H 8.0015 0.0000 1 24 5 8 ALA C C 176.8959 0.0000 1 25 5 8 ALA CA C 55.2278 0.0000 1 26 5 8 ALA CB C 15.2457 0.0000 1 27 5 8 ALA N N 118.6383 0.0000 1 28 6 9 ASP H H 7.4845 0.0000 1 29 6 9 ASP C C 171.9308 0.0000 1 30 6 9 ASP CA C 56.9576 0.0000 1 31 6 9 ASP CB C 38.5837 0.0000 1 32 6 9 ASP N N 118.3452 0.0000 1 33 7 10 LEU H H 7.9758 0.0000 1 34 7 10 LEU C C 173.9834 0.0000 1 35 7 10 LEU CA C 57.6734 0.0000 1 36 7 10 LEU CB C 37.9494 0.0000 1 37 7 10 LEU N N 122.8042 0.0000 1 38 8 11 PHE H H 7.9560 0.0000 1 39 8 11 PHE C C 176.1963 0.0000 1 40 8 11 PHE CA C 58.3478 0.0000 1 41 8 11 PHE CB C 33.4622 0.0000 1 42 8 11 PHE N N 117.1838 0.0000 1 43 9 12 ALA H H 7.9145 0.0000 1 44 9 12 ALA C C 175.3418 0.0000 1 45 9 12 ALA CA C 55.2146 0.0000 1 46 9 12 ALA CB C 14.9675 0.0000 1 47 9 12 ALA N N 121.2870 0.0000 1 48 10 13 PHE H H 8.0216 0.0000 1 49 10 13 PHE C C 172.6009 0.0000 1 50 10 13 PHE CA C 62.1232 0.0000 1 51 10 13 PHE CB C 36.8178 0.0000 1 52 10 13 PHE N N 122.8854 0.0000 1 53 11 14 PHE H H 8.8741 0.0000 1 54 11 14 PHE C C 174.4781 0.0000 1 55 11 14 PHE CA C 57.3666 0.0000 1 56 11 14 PHE CB C 33.8118 0.0000 1 57 11 14 PHE N N 118.6955 0.0000 1 58 12 15 ASP H H 8.7292 0.0000 1 59 12 15 ASP C C 173.8195 0.0000 1 60 12 15 ASP CA C 57.3952 0.0000 1 61 12 15 ASP CB C 36.9839 0.0000 1 62 12 15 ASP N N 120.0571 0.0000 1 63 13 16 ALA H H 8.0554 0.0000 1 64 13 16 ALA C C 173.8453 0.0000 1 65 13 16 ALA CA C 54.0875 0.0000 1 66 13 16 ALA CB C 15.1241 0.0000 1 67 13 16 ALA N N 122.0496 0.0000 1 68 14 17 HIS H H 7.4373 0.0000 1 69 14 17 HIS C C 174.4231 0.0000 1 70 14 17 HIS CA C 56.5624 0.0000 1 71 14 17 HIS CB C 27.4602 0.0000 1 72 14 17 HIS N N 113.5015 0.0000 1 73 15 18 GLY H H 7.6410 0.0000 1 74 15 18 GLY C C 178.1305 0.0000 1 75 15 18 GLY CA C 55.9643 0.0000 1 76 15 18 GLY N N 108.5132 0.0000 1 77 16 19 VAL H H 8.7430 0.0000 1 78 16 19 VAL C C 178.1943 0.0000 1 79 16 19 VAL CA C 62.6127 0.0000 1 80 16 19 VAL CB C 28.9106 0.0000 1 81 16 19 VAL N N 123.0298 0.0000 1 82 17 20 ASP H H 8.3888 0.0000 1 83 17 20 ASP C C 178.3048 0.0000 1 84 17 20 ASP CA C 53.8224 0.0000 1 85 17 20 ASP CB C 38.4698 0.0000 1 86 17 20 ASP N N 127.9839 0.0000 1 87 18 21 HIS H H 7.7516 0.0000 1 88 18 21 HIS C C 179.7123 0.0000 1 89 18 21 HIS CA C 54.0497 0.0000 1 90 18 21 HIS CB C 30.9118 0.0000 1 91 18 21 HIS N N 113.6688 0.0000 1 92 19 22 LYS H H 8.1001 0.0000 1 93 19 22 LYS C C 178.9852 0.0000 1 94 19 22 LYS CA C 47.3036 0.0000 1 95 19 22 LYS CB C 33.0391 0.0000 1 96 19 22 LYS N N 121.8676 0.0000 1 97 20 23 THR H H 8.7341 0.0000 1 98 20 23 THR C C 178.1943 0.0000 1 99 20 23 THR CA C 63.1491 0.0000 1 100 20 23 THR CB C 67.9813 0.0000 1 101 20 23 THR N N 122.8632 0.0000 1 102 21 24 LEU H H 9.2664 0.0000 1 103 21 24 LEU C C 179.7992 0.0000 1 104 21 24 LEU CA C 53.7760 0.0000 1 105 21 24 LEU CB C 42.7704 0.0000 1 106 21 24 LEU N N 105.6663 0.0000 1 107 22 25 ASP H H 8.4818 0.0000 1 108 22 25 ASP C C 178.2448 0.0000 1 109 22 25 ASP CA C 53.7760 0.0000 1 110 22 25 ASP N N 125.9450 0.0000 1 111 26 29 VAL CA C 61.2364 0.0000 1 112 27 30 PHE H H 9.1313 0.0000 1 113 27 30 PHE C C 178.2131 0.0000 1 114 27 30 PHE CA C 59.1136 0.0000 1 115 27 30 PHE CB C 38.6662 0.0000 1 116 27 30 PHE N N 122.9226 0.0000 1 117 28 31 ARG H H 7.9898 0.0000 1 118 28 31 ARG C C 177.5553 0.0000 1 119 28 31 ARG CA C 54.8842 0.0000 1 120 28 31 ARG CB C 30.7265 0.0000 1 121 28 31 ARG N N 118.5785 0.0000 1 122 29 32 VAL H H 9.0875 0.0000 1 123 29 32 VAL C C 175.7433 0.0000 1 124 29 32 VAL CA C 54.8842 0.0000 1 125 29 32 VAL N N 123.9052 0.0000 1 126 30 33 GLU H H 9.1585 0.0000 1 127 30 33 GLU C C 179.6335 0.0000 1 128 30 33 GLU N N 117.8774 0.0000 1 129 31 34 GLU C C 177.1136 0.0000 1 130 31 34 GLU CA C 57.0218 0.0000 1 131 31 34 GLU CB C 27.8189 0.0000 1 132 32 35 GLY H H 8.1841 0.0000 1 133 32 35 GLY C C 175.5010 0.0000 1 134 32 35 GLY CA C 46.4159 0.0000 1 135 32 35 GLY N N 107.0711 0.0000 1 136 33 36 LEU H H 7.7715 0.0000 1 137 33 36 LEU C C 177.3031 0.0000 1 138 33 36 LEU CA C 58.3578 0.0000 1 139 33 36 LEU CB C 38.5775 0.0000 1 140 33 36 LEU N N 120.8755 0.0000 1 141 34 37 GLU H H 8.5543 0.0000 1 142 34 37 GLU C C 173.6080 0.0000 1 143 34 37 GLU CA C 59.1546 0.0000 1 144 34 37 GLU CB C 26.1363 0.0000 1 145 34 37 GLU N N 118.6899 0.0000 1 146 35 38 ILE H H 7.2958 0.0000 1 147 35 38 ILE C C 174.0667 0.0000 1 148 35 38 ILE CA C 63.7991 0.0000 1 149 35 38 ILE CB C 35.0506 0.0000 1 150 35 38 ILE N N 121.0533 0.0000 1 151 36 39 LYS H H 7.4588 0.0000 1 152 36 39 LYS C C 175.6868 0.0000 1 153 36 39 LYS CA C 58.8244 0.0000 1 154 36 39 LYS CB C 29.2571 0.0000 1 155 36 39 LYS N N 118.6584 0.0000 1 156 37 40 ALA H H 7.3691 0.0000 1 157 37 40 ALA C C 175.4554 0.0000 1 158 37 40 ALA CA C 53.7499 0.0000 1 159 37 40 ALA CB C 15.5511 0.0000 1 160 37 40 ALA N N 117.6262 0.0000 1 161 38 41 ALA H H 7.3133 0.0000 1 162 38 41 ALA C C 174.5865 0.0000 1 163 38 41 ALA CA C 52.7109 0.0000 1 164 38 41 ALA CB C 17.5794 0.0000 1 165 38 41 ALA N N 118.5222 0.0000 1 166 39 42 MET H H 7.6112 0.0000 1 167 39 42 MET C C 175.6982 0.0000 1 168 39 42 MET CA C 52.7109 0.0000 1 169 39 42 MET N N 118.3507 0.0000 1 170 40 43 PRO CA C 62.6886 0.0000 1 171 40 43 PRO CB C 30.6621 0.0000 1 172 41 44 GLY H H 8.5959 0.0000 1 173 41 44 GLY C C 176.5731 0.0000 1 174 41 44 GLY CA C 43.8236 0.0000 1 175 41 44 GLY N N 106.7003 0.0000 1 176 42 45 GLY H H 8.7312 0.0000 1 177 42 45 GLY C C 178.2837 0.0000 1 178 42 45 GLY CA C 46.7239 0.0000 1 179 42 45 GLY N N 105.2422 0.0000 1 180 43 46 HIS H H 9.2078 0.0000 1 181 43 46 HIS C C 180.3055 0.0000 1 182 43 46 HIS CA C 57.4392 0.0000 1 183 43 46 HIS CB C 29.5498 0.0000 1 184 43 46 HIS N N 129.5006 0.0000 1 185 44 47 THR H H 8.2608 0.0000 1 186 44 47 THR C C 175.3965 0.0000 1 187 44 47 THR CA C 61.5252 0.0000 1 188 44 47 THR CB C 69.9243 0.0000 1 189 44 47 THR N N 109.6552 0.0000 1 190 45 48 LYS H H 9.2058 0.0000 1 191 45 48 LYS C C 178.1213 0.0000 1 192 45 48 LYS CA C 48.9236 0.0000 1 193 45 48 LYS CB C 33.5555 0.0000 1 194 45 48 LYS N N 118.2285 0.0000 1 195 46 49 ASN H H 8.0374 0.0000 1 196 46 49 ASN C C 176.2202 0.0000 1 197 46 49 ASN CA C 52.4017 0.0000 1 198 46 49 ASN N N 121.8947 0.0000 1 199 47 50 LEU H H 9.6033 0.0000 1 200 47 50 LEU C C 179.8726 0.0000 1 201 47 50 LEU CA C 54.1628 0.0000 1 202 47 50 LEU CB C 40.9156 0.0000 1 203 47 50 LEU N N 121.7993 0.0000 1 204 48 51 PHE H H 9.6077 0.0000 1 205 48 51 PHE C C 179.1586 0.0000 1 206 48 51 PHE CA C 57.1352 0.0000 1 207 48 51 PHE CB C 37.8733 0.0000 1 208 48 51 PHE N N 126.1917 0.0000 1 209 49 52 LEU H H 9.5676 0.0000 1 210 49 52 LEU C C 178.8955 0.0000 1 211 49 52 LEU CA C 53.6704 0.0000 1 212 49 52 LEU CB C 42.2537 0.0000 1 213 49 52 LEU N N 130.4985 0.0000 1 214 50 53 LYS H H 8.9059 0.0000 1 215 50 53 LYS C C 179.6256 0.0000 1 216 50 53 LYS CA C 54.7950 0.0000 1 217 50 53 LYS CB C 34.2155 0.0000 1 218 50 53 LYS N N 120.4578 0.0000 1 219 51 54 ASP H H 9.3240 0.0000 1 220 51 54 ASP C C 177.3772 0.0000 1 221 51 54 ASP CA C 51.6167 0.0000 1 222 51 54 ASP CB C 40.9052 0.0000 1 223 51 54 ASP N N 127.3335 0.0000 1 224 52 55 ALA H H 7.8684 0.0000 1 225 52 55 ALA C C 173.6524 0.0000 1 226 52 55 ALA CA C 54.3167 0.0000 1 227 52 55 ALA N N 118.4057 0.0000 1 228 53 56 LYS H H 8.2732 0.0000 1 229 53 56 LYS C C 174.9585 0.0000 1 230 53 56 LYS CA C 55.2810 0.0000 1 231 53 56 LYS CB C 29.6229 0.0000 1 232 53 56 LYS N N 115.9700 0.0000 1 233 54 57 GLY H H 8.2145 0.0000 1 234 54 57 GLY C C 176.0187 0.0000 1 235 54 57 GLY CA C 45.2833 0.0000 1 236 54 57 GLY N N 108.6246 0.0000 1 237 55 58 GLN H H 8.3412 0.0000 1 238 55 58 GLN C C 179.6752 0.0000 1 239 55 58 GLN CA C 54.9386 0.0000 1 240 55 58 GLN CB C 26.7032 0.0000 1 241 55 58 GLN N N 122.9677 0.0000 1 242 56 59 LEU H H 8.2233 0.0000 1 243 56 59 LEU C C 177.6030 0.0000 1 244 56 59 LEU CA C 53.9843 0.0000 1 245 56 59 LEU CB C 40.2681 0.0000 1 246 56 59 LEU N N 125.8112 0.0000 1 247 57 60 TRP H H 8.9960 0.0000 1 248 57 60 TRP C C 176.1298 0.0000 1 249 57 60 TRP CA C 56.0669 0.0000 1 250 57 60 TRP CB C 30.5150 0.0000 1 251 57 60 TRP N N 121.6324 0.0000 1 252 58 61 LEU H H 9.3311 0.0000 1 253 58 61 LEU C C 179.4490 0.0000 1 254 58 61 LEU CA C 53.0629 0.0000 1 255 58 61 LEU CB C 43.5626 0.0000 1 256 58 61 LEU N N 123.8512 0.0000 1 257 59 62 ILE H H 9.1748 0.0000 1 258 59 62 ILE C C 179.0299 0.0000 1 259 59 62 ILE CA C 54.6006 0.0000 1 260 59 62 ILE CB C 37.3140 0.0000 1 261 59 62 ILE N N 124.9709 0.0000 1 262 60 63 SER H H 8.8211 0.0000 1 263 60 63 SER C C 176.8751 0.0000 1 264 60 63 SER CA C 59.3991 0.0000 1 265 60 63 SER CB C 62.0389 0.0000 1 266 60 63 SER N N 124.2334 0.0000 1 267 61 64 ALA H H 9.1036 0.0000 1 268 61 64 ALA C C 181.2216 0.0000 1 269 61 64 ALA CA C 49.5959 0.0000 1 270 61 64 ALA CB C 20.0891 0.0000 1 271 61 64 ALA N N 126.6661 0.0000 1 272 62 65 LEU H H 8.9299 0.0000 1 273 62 65 LEU C C 176.4571 0.0000 1 274 62 65 LEU CA C 55.7198 0.0000 1 275 62 65 LEU CB C 38.4252 0.0000 1 276 62 65 LEU N N 121.6132 0.0000 1 277 63 66 GLY H H 8.6136 0.0000 1 278 63 66 GLY C C 173.2907 0.0000 1 279 63 66 GLY CA C 47.6835 0.0000 1 280 63 66 GLY N N 109.2250 0.0000 1 281 64 67 GLU H H 8.1517 0.0000 1 282 64 67 GLU C C 178.5013 0.0000 1 283 64 67 GLU CA C 56.6605 0.0000 1 284 64 67 GLU CB C 26.9609 0.0000 1 285 64 67 GLU N N 114.2352 0.0000 1 286 65 68 THR H H 7.7497 0.0000 1 287 65 68 THR C C 176.2990 0.0000 1 288 65 68 THR CA C 63.8210 0.0000 1 289 65 68 THR CB C 66.0368 0.0000 1 290 65 68 THR N N 121.6602 0.0000 1 291 66 69 THR H H 8.4672 0.0000 1 292 66 69 THR C C 179.6243 0.0000 1 293 66 69 THR CA C 63.8210 0.0000 1 294 66 69 THR N N 125.8868 0.0000 1 295 67 70 ILE CA C 60.2708 0.0000 1 296 67 70 ILE CB C 36.3628 0.0000 1 297 68 71 ASP H H 8.8214 0.0000 1 298 68 71 ASP C C 178.3115 0.0000 1 299 68 71 ASP CA C 52.4721 0.0000 1 300 68 71 ASP CB C 36.5774 0.0000 1 301 68 71 ASP N N 128.2432 0.0000 1 302 69 72 LEU H H 8.0838 0.0000 1 303 69 72 LEU C C 176.3489 0.0000 1 304 69 72 LEU CA C 56.8535 0.0000 1 305 69 72 LEU CB C 39.1734 0.0000 1 306 69 72 LEU N N 124.7336 0.0000 1 307 70 73 LYS H H 8.2695 0.0000 1 308 70 73 LYS C C 175.2763 0.0000 1 309 70 73 LYS CA C 59.0849 0.0000 1 310 70 73 LYS CB C 29.3874 0.0000 1 311 70 73 LYS N N 117.7393 0.0000 1 312 71 74 LYS H H 6.8607 0.0000 1 313 71 74 LYS C C 175.4123 0.0000 1 314 71 74 LYS CA C 55.3142 0.0000 1 315 71 74 LYS CB C 31.9863 0.0000 1 316 71 74 LYS N N 113.1972 0.0000 1 317 72 75 LEU H H 7.5394 0.0000 1 318 72 75 LEU C C 174.7474 0.0000 1 319 72 75 LEU CA C 57.3541 0.0000 1 320 72 75 LEU CB C 39.2678 0.0000 1 321 72 75 LEU N N 118.4531 0.0000 1 322 73 76 HIS H H 8.2704 0.0000 1 323 73 76 HIS C C 175.7966 0.0000 1 324 73 76 HIS CA C 58.8733 0.0000 1 325 73 76 HIS CB C 26.3597 0.0000 1 326 73 76 HIS N N 115.9998 0.0000 1 327 74 77 HIS H H 6.2270 0.0000 1 328 74 77 HIS C C 175.4103 0.0000 1 329 74 77 HIS CA C 57.4925 0.0000 1 330 74 77 HIS CB C 27.8203 0.0000 1 331 74 77 HIS N N 116.7110 0.0000 1 332 75 78 VAL H H 7.4014 0.0000 1 333 75 78 VAL C C 176.3481 0.0000 1 334 75 78 VAL CA C 64.5085 0.0000 1 335 75 78 VAL CB C 29.7646 0.0000 1 336 75 78 VAL N N 118.3861 0.0000 1 337 76 79 ILE H H 7.1675 0.0000 1 338 76 79 ILE C C 175.8026 0.0000 1 339 76 79 ILE CA C 61.8485 0.0000 1 340 76 79 ILE CB C 34.8656 0.0000 1 341 76 79 ILE N N 107.2437 0.0000 1 342 77 80 GLY H H 7.4267 0.0000 1 343 77 80 GLY C C 178.2189 0.0000 1 344 77 80 GLY CA C 46.6991 0.0000 1 345 77 80 GLY N N 109.1059 0.0000 1 346 78 81 SER H H 7.9191 0.0000 1 347 78 81 SER C C 178.3252 0.0000 1 348 78 81 SER CA C 57.4081 0.0000 1 349 78 81 SER CB C 54.5502 0.0000 1 350 78 81 SER N N 115.8962 0.0000 1 351 79 82 GLY H H 8.1620 0.0000 1 352 79 82 GLY C C 177.0764 0.0000 1 353 79 82 GLY CA C 44.5813 0.0000 1 354 79 82 GLY N N 127.9793 0.0000 1 355 80 83 ARG H H 8.8420 0.0000 1 356 80 83 ARG C C 179.6817 0.0000 1 357 80 83 ARG CA C 58.5504 0.0000 1 358 80 83 ARG CB C 27.5946 0.0000 1 359 80 83 ARG N N 121.9486 0.0000 1 360 81 84 LEU H H 8.8074 0.0000 1 361 81 84 LEU C C 174.6922 0.0000 1 362 81 84 LEU CA C 56.5625 0.0000 1 363 81 84 LEU CB C 42.2762 0.0000 1 364 81 84 LEU N N 127.5545 0.0000 1 365 82 85 SER H H 7.8062 0.0000 1 366 82 85 SER C C 176.9254 0.0000 1 367 82 85 SER CA C 56.5625 0.0000 1 368 82 85 SER N N 116.4608 0.0000 1 369 83 86 PHE CA C 60.0822 0.0000 1 370 83 86 PHE CB C 34.0499 0.0000 1 371 84 87 GLY H H 9.3392 0.0000 1 372 84 87 GLY C C 175.2928 0.0000 1 373 84 87 GLY CA C 60.0822 0.0000 1 374 84 87 GLY N N 110.0351 0.0000 1 375 86 89 GLN CA C 59.7110 0.0000 1 376 86 89 GLN CB C 25.2298 0.0000 1 377 87 90 GLU H H 10.3373 0.0000 1 378 87 90 GLU C C 174.6418 0.0000 1 379 87 90 GLU CA C 60.6610 0.0000 1 380 87 90 GLU CB C 25.5219 0.0000 1 381 87 90 GLU N N 122.4222 0.0000 1 382 88 91 MET H H 6.9083 0.0000 1 383 88 91 MET C C 173.5748 0.0000 1 384 88 91 MET CA C 57.8314 0.0000 1 385 88 91 MET CB C 30.2492 0.0000 1 386 88 91 MET N N 116.2804 0.0000 1 387 89 92 MET H H 7.7989 0.0000 1 388 89 92 MET C C 174.7827 0.0000 1 389 89 92 MET CA C 59.0666 0.0000 1 390 89 92 MET CB C 31.2801 0.0000 1 391 89 92 MET N N 123.8646 0.0000 1 392 90 93 LEU H H 7.7773 0.0000 1 393 90 93 LEU C C 175.9039 0.0000 1 394 90 93 LEU CA C 58.0925 0.0000 1 395 90 93 LEU CB C 38.8537 0.0000 1 396 90 93 LEU N N 120.6443 0.0000 1 397 91 94 GLU H H 7.4115 0.0000 1 398 91 94 GLU C C 174.1325 0.0000 1 399 91 94 GLU CA C 59.0954 0.0000 1 400 91 94 GLU CB C 28.0183 0.0000 1 401 91 94 GLU N N 115.4034 0.0000 1 402 92 95 THR H H 7.4808 0.0000 1 403 92 95 THR C C 175.7561 0.0000 1 404 92 95 THR CA C 63.3775 0.0000 1 405 92 95 THR CB C 67.4659 0.0000 1 406 92 95 THR N N 105.9126 0.0000 1 407 93 96 LEU H H 7.3092 0.0000 1 408 93 96 LEU C C 180.0353 0.0000 1 409 93 96 LEU CA C 53.2686 0.0000 1 410 93 96 LEU CB C 42.3797 0.0000 1 411 93 96 LEU N N 114.0812 0.0000 1 412 94 97 GLY H H 7.7555 0.0000 1 413 94 97 GLY C C 174.5206 0.0000 1 414 94 97 GLY CA C 47.0680 0.0000 1 415 94 97 GLY N N 107.4450 0.0000 1 416 95 98 VAL H H 6.4624 0.0000 1 417 95 98 VAL C C 179.1624 0.0000 1 418 95 98 VAL CA C 57.3311 0.0000 1 419 95 98 VAL CB C 32.6029 0.0000 1 420 95 98 VAL N N 106.4228 0.0000 1 421 96 99 THR H H 7.3312 0.0000 1 422 96 99 THR C C 179.5687 0.0000 1 423 96 99 THR CA C 57.3311 0.0000 1 424 96 99 THR N N 107.8591 0.0000 1 425 98 101 GLY CA C 45.9881 0.0000 1 426 99 102 SER H H 8.2060 0.0000 1 427 99 102 SER C C 179.5534 0.0000 1 428 99 102 SER CA C 45.9881 0.0000 1 429 99 102 SER N N 113.4683 0.0000 1 430 100 103 VAL CA C 65.6635 0.0000 1 431 100 103 VAL CB C 27.4743 0.0000 1 432 101 104 THR H H 6.0730 0.0000 1 433 101 104 THR C C 177.1903 0.0000 1 434 101 104 THR CA C 57.4909 0.0000 1 435 101 104 THR CB C 65.8558 0.0000 1 436 101 104 THR N N 116.5712 0.0000 1 437 102 105 ALA H H 5.9259 0.0000 1 438 102 105 ALA C C 179.9865 0.0000 1 439 102 105 ALA CA C 54.6363 0.0000 1 440 102 105 ALA CB C 14.4504 0.0000 1 441 102 105 ALA N N 129.8459 0.0000 1 442 103 106 PHE H H 7.4959 0.0000 1 443 103 106 PHE C C 175.1794 0.0000 1 444 103 106 PHE CA C 55.9959 0.0000 1 445 103 106 PHE CB C 33.9457 0.0000 1 446 103 106 PHE N N 112.6737 0.0000 1 447 104 107 GLY H H 7.8080 0.0000 1 448 104 107 GLY C C 176.2450 0.0000 1 449 104 107 GLY CA C 46.4023 0.0000 1 450 104 107 GLY N N 105.3759 0.0000 1 451 105 108 LEU H H 7.5104 0.0000 1 452 105 108 LEU C C 179.2032 0.0000 1 453 105 108 LEU CA C 57.5406 0.0000 1 454 105 108 LEU CB C 38.7850 0.0000 1 455 105 108 LEU N N 120.0408 0.0000 1 456 106 109 ILE H H 7.4889 0.0000 1 457 106 109 ILE C C 174.5371 0.0000 1 458 106 109 ILE CA C 63.9560 0.0000 1 459 106 109 ILE CB C 35.5109 0.0000 1 460 106 109 ILE N N 118.5697 0.0000 1 461 107 110 ASN H H 7.8060 0.0000 1 462 107 110 ASN C C 178.9056 0.0000 1 463 107 110 ASN CA C 54.0196 0.0000 1 464 107 110 ASN CB C 37.2705 0.0000 1 465 107 110 ASN N N 117.8918 0.0000 1 466 108 111 ASP H H 7.3105 0.0000 1 467 108 111 ASP C C 177.6016 0.0000 1 468 108 111 ASP CA C 53.4498 0.0000 1 469 108 111 ASP CB C 36.4062 0.0000 1 470 108 111 ASP N N 122.8162 0.0000 1 471 109 112 THR H H 8.2360 0.0000 1 472 109 112 THR C C 174.3247 0.0000 1 473 109 112 THR CA C 65.3366 0.0000 1 474 109 112 THR CB C 65.6067 0.0000 1 475 109 112 THR N N 116.9095 0.0000 1 476 110 113 GLU H H 8.8780 0.0000 1 477 110 113 GLU C C 176.5332 0.0000 1 478 110 113 GLU CA C 61.3120 0.0000 1 479 110 113 GLU CB C 26.1665 0.0000 1 480 110 113 GLU N N 118.8546 0.0000 1 481 111 114 LYS H H 7.9464 0.0000 1 482 111 114 LYS C C 177.9783 0.0000 1 483 111 114 LYS CA C 56.3311 0.0000 1 484 111 114 LYS CB C 25.3238 0.0000 1 485 111 114 LYS N N 118.8156 0.0000 1 486 112 115 ARG H H 10.3257 0.0000 1 487 112 115 ARG C C 175.8996 0.0000 1 488 112 115 ARG CA C 57.4152 0.0000 1 489 112 115 ARG CB C 29.9240 0.0000 1 490 112 115 ARG N N 122.0310 0.0000 1 491 113 116 VAL H H 9.9484 0.0000 1 492 113 116 VAL C C 176.6586 0.0000 1 493 113 116 VAL CA C 61.7488 0.0000 1 494 113 116 VAL CB C 29.3258 0.0000 1 495 113 116 VAL N N 123.1681 0.0000 1 496 114 117 ARG H H 7.6524 0.0000 1 497 114 117 ARG C C 177.2236 0.0000 1 498 114 117 ARG CA C 55.7544 0.0000 1 499 114 117 ARG CB C 28.5448 0.0000 1 500 114 117 ARG N N 126.7997 0.0000 1 501 115 118 PHE H H 8.8471 0.0000 1 502 115 118 PHE C C 178.0935 0.0000 1 503 115 118 PHE CA C 56.0728 0.0000 1 504 115 118 PHE CB C 39.9911 0.0000 1 505 115 118 PHE N N 123.9860 0.0000 1 506 116 119 VAL H H 9.2038 0.0000 1 507 116 119 VAL C C 179.2823 0.0000 1 508 116 119 VAL CA C 60.5175 0.0000 1 509 116 119 VAL CB C 31.5607 0.0000 1 510 116 119 VAL N N 105.1278 0.0000 1 511 117 120 LEU H H 8.7848 0.0000 1 512 117 120 LEU C C 181.4103 0.0000 1 513 117 120 LEU CA C 51.6924 0.0000 1 514 117 120 LEU CB C 43.6402 0.0000 1 515 117 120 LEU N N 127.1531 0.0000 1 516 118 121 ASP H H 8.1878 0.0000 1 517 118 121 ASP C C 178.0324 0.0000 1 518 118 121 ASP CA C 53.8335 0.0000 1 519 118 121 ASP CB C 41.6795 0.0000 1 520 118 121 ASP N N 124.6284 0.0000 1 521 119 122 LYS H H 9.5683 0.0000 1 522 119 122 LYS C C 175.6776 0.0000 1 523 119 122 LYS CA C 59.0115 0.0000 1 524 119 122 LYS CB C 30.4987 0.0000 1 525 119 122 LYS N N 108.5863 0.0000 1 526 120 123 ALA H H 8.3941 0.0000 1 527 120 123 ALA C C 176.7711 0.0000 1 528 120 123 ALA CA C 54.6851 0.0000 1 529 120 123 ALA CB C 15.4392 0.0000 1 530 120 123 ALA N N 118.2109 0.0000 1 531 121 124 LEU H H 7.2081 0.0000 1 532 121 124 LEU C C 172.5475 0.0000 1 533 121 124 LEU CA C 56.4853 0.0000 1 534 121 124 LEU CB C 39.9991 0.0000 1 535 121 124 LEU N N 119.2226 0.0000 1 536 122 125 ALA H H 8.6566 0.0000 1 537 122 125 ALA C C 174.6585 0.0000 1 538 122 125 ALA CA C 53.7414 0.0000 1 539 122 125 ALA CB C 14.8632 0.0000 1 540 122 125 ALA N N 124.3232 0.0000 1 541 123 126 ASP H H 7.3888 0.0000 1 542 123 126 ASP C C 175.9137 0.0000 1 543 123 126 ASP CA C 54.1426 0.0000 1 544 123 126 ASP CB C 38.5226 0.0000 1 545 123 126 ASP N N 113.4442 0.0000 1 546 124 127 SER H H 7.4852 0.0000 1 547 124 127 SER C C 176.1566 0.0000 1 548 124 127 SER CA C 59.3437 0.0000 1 549 124 127 SER CB C 62.1620 0.0000 1 550 124 127 SER N N 117.1227 0.0000 1 551 125 128 ASP H H 8.5719 0.0000 1 552 125 128 ASP C C 181.4765 0.0000 1 553 125 128 ASP CA C 59.3437 0.0000 1 554 125 128 ASP N N 122.2649 0.0000 1 555 126 129 PRO CA C 64.2476 0.0000 1 556 126 129 PRO CB C 32.2774 0.0000 1 557 127 130 VAL H H 9.1413 0.0000 1 558 127 130 VAL C C 178.3479 0.0000 1 559 127 130 VAL CA C 60.3659 0.0000 1 560 127 130 VAL CB C 31.7804 0.0000 1 561 127 130 VAL N N 109.9531 0.0000 1 562 128 131 ASN H H 6.8637 0.0000 1 563 128 131 ASN C C 179.6343 0.0000 1 564 128 131 ASN CA C 52.9469 0.0000 1 565 128 131 ASN CB C 39.7577 0.0000 1 566 128 131 ASN N N 118.2938 0.0000 1 567 129 132 PHE H H 9.1403 0.0000 1 568 129 132 PHE C C 179.6335 0.0000 1 569 129 132 PHE CA C 55.9077 0.0000 1 570 129 132 PHE CB C 41.4525 0.0000 1 571 129 132 PHE N N 118.3819 0.0000 1 572 130 133 HIS H H 9.6055 0.0000 1 573 130 133 HIS C C 177.0638 0.0000 1 574 130 133 HIS CA C 55.9077 0.0000 1 575 130 133 HIS N N 119.4779 0.0000 1 576 131 134 PRO CA C 62.8654 0.0000 1 577 131 134 PRO CB C 25.3502 0.0000 1 578 132 135 LEU H H 7.6733 0.0000 1 579 132 135 LEU C C 179.2554 0.0000 1 580 132 135 LEU CA C 58.1828 0.0000 1 581 132 135 LEU CB C 35.1740 0.0000 1 582 132 135 LEU N N 108.9530 0.0000 1 583 133 136 LYS H H 7.0638 0.0000 1 584 133 136 LYS C C 179.9226 0.0000 1 585 133 136 LYS CA C 55.7481 0.0000 1 586 133 136 LYS CB C 33.3338 0.0000 1 587 133 136 LYS N N 116.7024 0.0000 1 588 134 137 ASN H H 7.7095 0.0000 1 589 134 137 ASN C C 178.4075 0.0000 1 590 134 137 ASN CA C 52.8233 0.0000 1 591 134 137 ASN CB C 33.1735 0.0000 1 592 134 137 ASN N N 121.1722 0.0000 1 593 135 138 ASP H H 7.5663 0.0000 1 594 135 138 ASP C C 179.8372 0.0000 1 595 135 138 ASP CA C 51.9772 0.0000 1 596 135 138 ASP CB C 36.4057 0.0000 1 597 135 138 ASP N N 118.0129 0.0000 1 598 136 139 ALA H H 7.3563 0.0000 1 599 136 139 ALA C C 178.7210 0.0000 1 600 136 139 ALA CA C 51.5675 0.0000 1 601 136 139 ALA CB C 19.7663 0.0000 1 602 136 139 ALA N N 119.1818 0.0000 1 603 137 140 THR H H 9.1974 0.0000 1 604 137 140 THR C C 176.1333 0.0000 1 605 137 140 THR CA C 65.4984 0.0000 1 606 137 140 THR CB C 69.7436 0.0000 1 607 137 140 THR N N 119.0526 0.0000 1 608 138 141 THR H H 9.5537 0.0000 1 609 138 141 THR C C 181.7537 0.0000 1 610 138 141 THR CA C 62.9808 0.0000 1 611 138 141 THR CB C 69.0702 0.0000 1 612 138 141 THR N N 127.3575 0.0000 1 613 139 142 ALA H H 9.5034 0.0000 1 614 139 142 ALA C C 181.1594 0.0000 1 615 139 142 ALA CA C 50.4601 0.0000 1 616 139 142 ALA CB C 19.3262 0.0000 1 617 139 142 ALA N N 129.9362 0.0000 1 618 140 143 VAL H H 9.0114 0.0000 1 619 140 143 VAL C C 174.5251 0.0000 1 620 140 143 VAL CA C 58.6927 0.0000 1 621 140 143 VAL CB C 33.1244 0.0000 1 622 140 143 VAL N N 117.8472 0.0000 1 623 141 144 SER H H 9.4082 0.0000 1 624 141 144 SER C C 178.6447 0.0000 1 625 141 144 SER CA C 57.8982 0.0000 1 626 141 144 SER CB C 61.8973 0.0000 1 627 141 144 SER N N 118.4501 0.0000 1 628 142 145 GLN H H 9.2181 0.0000 1 629 142 145 GLN C C 178.1729 0.0000 1 630 142 145 GLN CA C 59.2928 0.0000 1 631 142 145 GLN CB C 25.9963 0.0000 1 632 142 145 GLN N N 123.2470 0.0000 1 633 143 146 ALA H H 8.8339 0.0000 1 634 143 146 ALA C C 174.4997 0.0000 1 635 143 146 ALA CA C 55.2239 0.0000 1 636 143 146 ALA CB C 15.0156 0.0000 1 637 143 146 ALA N N 119.7144 0.0000 1 638 144 147 GLY H H 8.9669 0.0000 1 639 144 147 GLY C C 171.8651 0.0000 1 640 144 147 GLY CA C 47.3887 0.0000 1 641 144 147 GLY N N 111.7056 0.0000 1 642 145 148 LEU H H 9.0612 0.0000 1 643 145 148 LEU C C 177.7537 0.0000 1 644 145 148 LEU CA C 58.5203 0.0000 1 645 145 148 LEU CB C 37.7179 0.0000 1 646 145 148 LEU N N 124.3665 0.0000 1 647 146 149 ARG H H 8.4658 0.0000 1 648 146 149 ARG C C 174.0389 0.0000 1 649 146 149 ARG CA C 58.3169 0.0000 1 650 146 149 ARG CB C 24.9631 0.0000 1 651 146 149 ARG N N 115.3676 0.0000 1 652 147 150 ARG H H 8.5496 0.0000 1 653 147 150 ARG C C 173.0828 0.0000 1 654 147 150 ARG CA C 59.7913 0.0000 1 655 147 150 ARG CB C 27.8558 0.0000 1 656 147 150 ARG N N 122.3100 0.0000 1 657 148 151 PHE H H 8.6889 0.0000 1 658 148 151 PHE C C 174.2148 0.0000 1 659 148 151 PHE CA C 61.4321 0.0000 1 660 148 151 PHE CB C 36.0082 0.0000 1 661 148 151 PHE N N 122.0069 0.0000 1 662 149 152 LEU H H 8.2752 0.0000 1 663 149 152 LEU C C 178.0585 0.0000 1 664 149 152 LEU CA C 57.7968 0.0000 1 665 149 152 LEU CB C 37.6529 0.0000 1 666 149 152 LEU N N 116.3123 0.0000 1 667 150 153 ALA H H 8.3251 0.0000 1 668 150 153 ALA C C 173.8237 0.0000 1 669 150 153 ALA CA C 55.0337 0.0000 1 670 150 153 ALA CB C 15.0909 0.0000 1 671 150 153 ALA N N 120.9327 0.0000 1 672 151 154 ALA H H 8.1270 0.0000 1 673 151 154 ALA C C 171.4832 0.0000 1 674 151 154 ALA CA C 54.4918 0.0000 1 675 151 154 ALA CB C 14.6934 0.0000 1 676 151 154 ALA N N 122.0864 0.0000 1 677 152 155 LEU H H 7.1165 0.0000 1 678 152 155 LEU C C 173.6550 0.0000 1 679 152 155 LEU CA C 54.4249 0.0000 1 680 152 155 LEU CB C 40.5134 0.0000 1 681 152 155 LEU N N 116.0661 0.0000 1 682 153 156 GLY H H 7.8942 0.0000 1 683 153 156 GLY C C 175.8776 0.0000 1 684 153 156 GLY CA C 46.1837 0.0000 1 685 153 156 GLY N N 108.9255 0.0000 1 686 154 157 VAL H H 7.9914 0.0000 1 687 154 157 VAL C C 178.4157 0.0000 1 688 154 157 VAL CA C 61.7699 0.0000 1 689 154 157 VAL CB C 30.4472 0.0000 1 690 154 157 VAL N N 121.3260 0.0000 1 691 155 158 GLU H H 8.8132 0.0000 1 692 155 158 GLU C C 178.4007 0.0000 1 693 155 158 GLU CA C 61.7699 0.0000 1 694 155 158 GLU N N 129.2085 0.0000 1 695 156 159 PRO CA C 62.3815 0.0000 1 696 156 159 PRO CB C 29.6136 0.0000 1 697 157 160 MET H H 8.4304 0.0000 1 698 157 160 MET C C 177.6005 0.0000 1 699 157 160 MET CA C 55.5416 0.0000 1 700 157 160 MET CB C 32.0103 0.0000 1 701 157 160 MET N N 123.6899 0.0000 1 702 158 161 ILE H H 9.0552 0.0000 1 703 158 161 ILE C C 178.3300 0.0000 1 704 158 161 ILE CA C 60.6668 0.0000 1 705 158 161 ILE CB C 33.6687 0.0000 1 706 158 161 ILE N N 129.4338 0.0000 1 707 159 162 VAL H H 8.0760 0.0000 1 708 159 162 VAL C C 177.6920 0.0000 1 709 159 162 VAL CA C 60.5652 0.0000 1 710 159 162 VAL CB C 33.1206 0.0000 1 711 159 162 VAL N N 126.9705 0.0000 1 712 160 163 ASP H H 8.6755 0.0000 1 713 160 163 ASP C C 178.7938 0.0000 1 714 160 163 ASP CA C 52.3960 0.0000 1 715 160 163 ASP CB C 38.9300 0.0000 1 716 160 163 ASP N N 126.2153 0.0000 1 717 161 164 PHE H H 9.3792 0.0000 1 718 161 164 PHE C C 176.1830 0.0000 1 719 161 164 PHE CA C 61.9916 0.0000 1 720 161 164 PHE CB C 36.2876 0.0000 1 721 161 164 PHE N N 126.2211 0.0000 1 722 162 165 ALA H H 8.2770 0.0000 1 723 162 165 ALA C C 177.4264 0.0000 1 724 162 165 ALA CA C 54.2074 0.0000 1 725 162 165 ALA CB C 15.6169 0.0000 1 726 162 165 ALA N N 123.3175 0.0000 1 727 163 166 ALA H H 7.7465 0.0000 1 728 163 166 ALA C C 174.0017 0.0000 1 729 163 166 ALA CA C 52.0356 0.0000 1 730 163 166 ALA CB C 16.5137 0.0000 1 731 163 166 ALA N N 119.8932 0.0000 1 732 164 167 MET H H 8.0013 0.0000 1 733 164 167 MET C C 175.8933 0.0000 1 734 164 167 MET CA C 55.0426 0.0000 1 735 164 167 MET CB C 25.6896 0.0000 1 736 164 167 MET N N 114.1351 0.0000 1 737 165 168 GLU H H 7.5449 0.0000 1 738 165 168 GLU C C 179.2537 0.0000 1 739 165 168 GLU CA C 59.4348 0.0000 1 740 165 168 GLU CB C 31.8655 0.0000 1 741 165 168 GLU N N 115.4324 0.0000 1 742 166 169 VAL H H 8.8163 0.0000 1 743 166 169 VAL C C 178.3402 0.0000 1 744 166 169 VAL CA C 63.3272 0.0000 1 745 166 169 VAL CB C 29.1374 0.0000 1 746 166 169 VAL N N 124.1991 0.0000 1 747 167 170 VAL H H 8.7891 0.0000 1 748 167 170 VAL C C 176.5085 0.0000 1 749 167 170 VAL CA C 55.5911 0.0000 1 750 167 170 VAL CB C 29.7426 0.0000 1 751 167 170 VAL N N 124.7191 0.0000 1 752 168 171 GLY H H 7.9245 0.0000 1 753 168 171 GLY C C 177.9783 0.0000 1 754 168 171 GLY CA C 55.5911 0.0000 1 755 168 171 GLY N N 118.6487 0.0000 1 stop_ save_