data_34046 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the C-terminal domain of the Bacteriophage T5 decoration protein pb10 ; _BMRB_accession_number 34046 _BMRB_flat_file_name bmr34046.str _Entry_type original _Submission_date 2016-09-22 _Accession_date 2016-09-22 _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 Vernhes E. . . 2 Gilquin B. . . 3 Cuniasse P. . . 4 Boulanger P. . . 5 Zinn-justin S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 462 "13C chemical shifts" 381 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-07-26 original BMRB . stop_ _Original_release_date 2016-09-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28165000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vernhes Emeline . . 2 Renouard Madalena . . 3 Gilquin Bernard . . 4 Cuniasse Philippe . . 5 Durand Dominique . . 6 England Patrick . . 7 Hoos Sylviane . . 8 Huet Alexis . . 9 Conway James F. . 10 Glukhov Anatoly . . 11 Ksenzenko Vladimir . . 12 Jacquet Eric . . 13 Nhiri Naima . . 14 Zinn-Justin Sophie . . 15 Boulanger Pascale . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41662 _Page_last 41662 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Decoration protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Decoration protein' _Molecular_mass 10339.291 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; ALTLSKDLTASMSVEEGAAL TLSVTATGGTGPYTYAWTKD GSPIPDASGATYTKPTAAAE DAGSYKVTVTDSKQVSKDST TCAVTVNPTVPGGLEHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 72 ALA 2 73 LEU 3 74 THR 4 75 LEU 5 76 SER 6 77 LYS 7 78 ASP 8 79 LEU 9 80 THR 10 81 ALA 11 82 SER 12 83 MET 13 84 SER 14 85 VAL 15 86 GLU 16 87 GLU 17 88 GLY 18 89 ALA 19 90 ALA 20 91 LEU 21 92 THR 22 93 LEU 23 94 SER 24 95 VAL 25 96 THR 26 97 ALA 27 98 THR 28 99 GLY 29 100 GLY 30 101 THR 31 102 GLY 32 103 PRO 33 104 TYR 34 105 THR 35 106 TYR 36 107 ALA 37 108 TRP 38 109 THR 39 110 LYS 40 111 ASP 41 112 GLY 42 113 SER 43 114 PRO 44 115 ILE 45 116 PRO 46 117 ASP 47 118 ALA 48 119 SER 49 120 GLY 50 121 ALA 51 122 THR 52 123 TYR 53 124 THR 54 125 LYS 55 126 PRO 56 127 THR 57 128 ALA 58 129 ALA 59 130 ALA 60 131 GLU 61 132 ASP 62 133 ALA 63 134 GLY 64 135 SER 65 136 TYR 66 137 LYS 67 138 VAL 68 139 THR 69 140 VAL 70 141 THR 71 142 ASP 72 143 SER 73 144 LYS 74 145 GLN 75 146 VAL 76 147 SER 77 148 LYS 78 149 ASP 79 150 SER 80 151 THR 81 152 THR 82 153 CYS 83 154 ALA 84 155 VAL 85 156 THR 86 157 VAL 87 158 ASN 88 159 PRO 89 160 THR 90 161 VAL 91 162 PRO 92 163 GLY 93 164 GLY 94 165 LEU 95 166 GLU 96 167 HIS 97 168 HIS 98 169 HIS 99 170 HIS 100 171 HIS 101 172 HIS 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 _Gene_mnemonic $entity_1 viruses 10726 Viruses . T5likevirus 'Enterobacteria phage T5' 'N5, T5.151, T5p147' 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-99% 13C; U-99% 15N] c72, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name INCA _Version . loop_ _Vendor _Address _Electronic_address 'Savarin P., Zinn-Justin S., Gilquin B., 19,2001, J. Biomol NMR, pp. 49-62' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX(600) _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX(700) _Field_strength 700 _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_TOCSY-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(COCA)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)' _Sample_label $sample_1 save_ save_3D_HN(CA)NNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NNH' _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' 25 . mM pH 7.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D TOCSY-NOESY' '3D HNHA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HN(COCA)' '3D HN(CA)NNH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 72 1 ALA HA H 3.831 0.000 1 2 72 1 ALA HB H 1.274 0.000 1 3 72 1 ALA CA C 51.359 0.000 1 4 72 1 ALA CB C 20.264 0.000 1 5 73 2 LEU HA H 4.313 0.000 1 6 73 2 LEU HB2 H 1.024 0.000 2 7 73 2 LEU HB3 H 1.419 0.000 2 8 73 2 LEU HG H 0.987 0.000 1 9 73 2 LEU HD1 H 0.471 0.000 2 10 73 2 LEU HD2 H 0.491 0.000 2 11 73 2 LEU C C 175.376 0.000 1 12 73 2 LEU CA C 55.816 0.000 1 13 73 2 LEU CB C 42.567 0.000 1 14 73 2 LEU CG C 27.276 0.000 1 15 73 2 LEU CD1 C 26.427 0.000 2 16 73 2 LEU CD2 C 26.256 0.000 2 17 74 3 THR H H 8.946 0.000 1 18 74 3 THR HA H 4.183 0.000 1 19 74 3 THR HB H 3.754 0.000 1 20 74 3 THR HG2 H 0.858 0.000 1 21 74 3 THR C C 171.834 0.000 1 22 74 3 THR CA C 60.537 0.000 1 23 74 3 THR CB C 71.574 0.000 1 24 74 3 THR CG2 C 20.164 0.000 1 25 74 3 THR N N 120.817 0.000 1 26 75 4 LEU H H 8.403 0.000 1 27 75 4 LEU HA H 4.987 0.000 1 28 75 4 LEU HB2 H 1.543 0.000 2 29 75 4 LEU HB3 H 1.099 0.000 2 30 75 4 LEU HG H 1.246 0.000 1 31 75 4 LEU HD1 H 0.500 0.000 2 32 75 4 LEU HD2 H 0.601 0.000 2 33 75 4 LEU C C 176.180 0.000 1 34 75 4 LEU CA C 52.923 0.000 1 35 75 4 LEU CB C 39.279 0.000 1 36 75 4 LEU CG C 27.116 0.000 1 37 75 4 LEU CD1 C 23.197 0.000 2 38 75 4 LEU CD2 C 25.312 0.000 2 39 75 4 LEU N N 121.914 0.000 1 40 76 5 SER H H 8.014 0.000 1 41 76 5 SER HA H 4.085 0.000 1 42 76 5 SER HB2 H 3.508 0.000 2 43 76 5 SER HB3 H 3.686 0.000 2 44 76 5 SER C C 175.302 0.000 1 45 76 5 SER CA C 59.230 0.000 1 46 76 5 SER CB C 62.560 0.000 1 47 76 5 SER N N 121.161 0.000 1 48 77 6 LYS H H 7.452 0.000 1 49 77 6 LYS HA H 4.346 0.000 1 50 77 6 LYS HB2 H 1.724 0.000 2 51 77 6 LYS HB3 H 1.479 0.000 2 52 77 6 LYS HG2 H 1.354 0.000 2 53 77 6 LYS HG3 H 1.186 0.000 2 54 77 6 LYS HD2 H 1.531 0.000 1 55 77 6 LYS HD3 H 1.531 0.000 1 56 77 6 LYS HE2 H 2.858 0.000 2 57 77 6 LYS HE3 H 2.695 0.000 2 58 77 6 LYS C C 173.311 0.000 1 59 77 6 LYS CA C 57.203 0.000 1 60 77 6 LYS CB C 34.220 0.000 1 61 77 6 LYS CG C 24.871 0.000 1 62 77 6 LYS CD C 28.551 0.000 1 63 77 6 LYS CE C 42.046 0.000 1 64 77 6 LYS N N 122.695 0.000 1 65 78 7 ASP H H 8.631 0.000 1 66 78 7 ASP HA H 4.957 0.000 1 67 78 7 ASP HB2 H 2.695 0.000 2 68 78 7 ASP HB3 H 2.426 0.000 2 69 78 7 ASP C C 177.516 0.000 1 70 78 7 ASP CA C 50.364 0.000 1 71 78 7 ASP CB C 43.141 0.000 1 72 78 7 ASP N N 126.287 0.000 1 73 79 8 LEU H H 9.325 0.000 1 74 79 8 LEU HA H 4.308 0.000 1 75 79 8 LEU HB2 H 1.456 0.000 2 76 79 8 LEU HB3 H 1.669 0.000 2 77 79 8 LEU HG H 1.041 0.000 1 78 79 8 LEU HD1 H 1.047 0.000 2 79 79 8 LEU HD2 H 0.931 0.000 2 80 79 8 LEU C C 177.003 0.000 1 81 79 8 LEU CA C 55.011 0.000 1 82 79 8 LEU CB C 41.206 0.000 1 83 79 8 LEU CG C 27.060 0.000 1 84 79 8 LEU CD1 C 24.670 0.000 2 85 79 8 LEU CD2 C 25.712 0.000 2 86 79 8 LEU N N 122.664 0.000 1 87 80 9 THR H H 7.864 0.000 1 88 80 9 THR HA H 4.331 0.000 1 89 80 9 THR HB H 4.473 0.000 1 90 80 9 THR HG2 H 1.214 0.000 1 91 80 9 THR C C 173.867 0.000 1 92 80 9 THR CA C 60.382 0.000 1 93 80 9 THR CB C 70.589 0.000 1 94 80 9 THR CG2 C 22.255 0.000 1 95 80 9 THR N N 110.248 0.000 1 96 81 10 ALA H H 8.198 0.000 1 97 81 10 ALA HA H 4.400 0.000 1 98 81 10 ALA HB H 1.358 0.000 1 99 81 10 ALA C C 179.129 0.000 1 100 81 10 ALA CA C 53.939 0.000 1 101 81 10 ALA CB C 18.612 0.000 1 102 81 10 ALA N N 118.909 0.000 1 103 82 11 SER H H 7.664 0.000 1 104 82 11 SER HA H 5.275 0.000 1 105 82 11 SER HB2 H 3.780 0.000 2 106 82 11 SER HB3 H 3.814 0.000 2 107 82 11 SER C C 173.011 0.000 1 108 82 11 SER CA C 56.925 0.000 1 109 82 11 SER CB C 65.465 0.000 1 110 82 11 SER N N 109.944 0.000 1 111 83 12 MET H H 8.259 0.000 1 112 83 12 MET HA H 4.397 0.000 1 113 83 12 MET HB2 H 1.723 0.000 1 114 83 12 MET HB3 H 1.723 0.000 1 115 83 12 MET HG2 H 2.130 0.000 2 116 83 12 MET HG3 H 2.256 0.000 2 117 83 12 MET C C 172.940 0.000 1 118 83 12 MET CA C 55.857 0.000 1 119 83 12 MET CB C 37.460 0.000 1 120 83 12 MET CG C 31.576 0.000 1 121 83 12 MET N N 121.924 0.000 1 122 84 13 SER H H 8.489 0.000 1 123 84 13 SER HA H 5.442 0.000 1 124 84 13 SER HB2 H 3.536 0.000 1 125 84 13 SER HB3 H 3.536 0.000 1 126 84 13 SER C C 173.244 0.000 1 127 84 13 SER CA C 56.372 0.000 1 128 84 13 SER CB C 65.219 0.000 1 129 84 13 SER N N 119.543 0.000 1 130 85 14 VAL H H 8.550 0.000 1 131 85 14 VAL HA H 4.330 0.000 1 132 85 14 VAL HB H 1.711 0.000 1 133 85 14 VAL HG1 H 0.641 0.000 2 134 85 14 VAL HG2 H 0.666 0.000 2 135 85 14 VAL C C 173.508 0.000 1 136 85 14 VAL CA C 59.207 0.000 1 137 85 14 VAL CB C 35.610 0.000 1 138 85 14 VAL CG1 C 21.284 0.000 2 139 85 14 VAL CG2 C 21.119 0.000 2 140 85 14 VAL N N 121.861 0.000 1 141 86 15 GLU H H 8.359 0.000 1 142 86 15 GLU HA H 4.270 0.000 1 143 86 15 GLU HB2 H 1.657 0.000 2 144 86 15 GLU HB3 H 1.848 0.000 2 145 86 15 GLU HG2 H 2.169 0.000 1 146 86 15 GLU HG3 H 2.169 0.000 1 147 86 15 GLU C C 175.721 0.000 1 148 86 15 GLU CA C 55.503 0.000 1 149 86 15 GLU CB C 30.151 0.000 1 150 86 15 GLU CG C 36.259 0.000 1 151 86 15 GLU N N 125.227 0.000 1 152 87 16 GLU H H 8.307 0.000 1 153 87 16 GLU HA H 3.367 0.000 1 154 87 16 GLU HB2 H 1.906 0.000 2 155 87 16 GLU HB3 H 1.763 0.000 2 156 87 16 GLU C C 177.326 0.000 1 157 87 16 GLU CA C 58.339 0.000 1 158 87 16 GLU CB C 29.515 0.000 1 159 87 16 GLU N N 123.288 0.000 1 160 88 17 GLY H H 9.392 0.000 1 161 88 17 GLY HA2 H 4.240 0.000 2 162 88 17 GLY HA3 H 3.337 0.000 2 163 88 17 GLY C C 172.939 0.000 1 164 88 17 GLY CA C 45.052 0.000 1 165 88 17 GLY N N 115.125 0.000 1 166 89 18 ALA H H 8.155 0.000 1 167 89 18 ALA HA H 4.519 0.000 1 168 89 18 ALA HB H 1.390 0.000 1 169 89 18 ALA C C 175.630 0.000 1 170 89 18 ALA CA C 50.473 0.000 1 171 89 18 ALA CB C 20.941 0.000 1 172 89 18 ALA N N 124.845 0.000 1 173 90 19 ALA H H 7.862 0.000 1 174 90 19 ALA HA H 4.142 0.000 1 175 90 19 ALA HB H 1.003 0.000 1 176 90 19 ALA C C 177.478 0.000 1 177 90 19 ALA CA C 52.657 0.000 1 178 90 19 ALA CB C 18.744 0.000 1 179 90 19 ALA N N 119.175 0.000 1 180 91 20 LEU H H 8.337 0.000 1 181 91 20 LEU HA H 4.314 0.000 1 182 91 20 LEU HB2 H 0.992 0.000 2 183 91 20 LEU HB3 H 1.637 0.000 2 184 91 20 LEU HG H 1.057 0.000 1 185 91 20 LEU HD1 H 0.440 0.000 2 186 91 20 LEU HD2 H 0.527 0.000 2 187 91 20 LEU C C 173.888 0.000 1 188 91 20 LEU CA C 53.375 0.000 1 189 91 20 LEU CB C 44.227 0.000 1 190 91 20 LEU CG C 27.742 0.000 1 191 91 20 LEU CD1 C 24.871 0.000 2 192 91 20 LEU CD2 C 24.748 0.000 2 193 91 20 LEU N N 125.614 0.000 1 194 92 21 THR H H 8.225 0.000 1 195 92 21 THR HA H 4.780 0.000 1 196 92 21 THR HB H 3.543 0.000 1 197 92 21 THR HG2 H 0.781 0.000 1 198 92 21 THR C C 172.473 0.000 1 199 92 21 THR CA C 61.283 0.000 1 200 92 21 THR CB C 70.655 0.000 1 201 92 21 THR CG2 C 21.456 0.000 1 202 92 21 THR N N 122.991 0.000 1 203 93 22 LEU H H 8.854 0.000 1 204 93 22 LEU HA H 4.616 0.000 1 205 93 22 LEU HB2 H 1.537 0.000 1 206 93 22 LEU HB3 H 1.537 0.000 1 207 93 22 LEU HG H 1.100 0.000 1 208 93 22 LEU HD1 H 0.287 0.000 2 209 93 22 LEU HD2 H 0.776 0.000 2 210 93 22 LEU C C 174.606 0.000 1 211 93 22 LEU CA C 53.059 0.000 1 212 93 22 LEU CB C 45.611 0.000 1 213 93 22 LEU CG C 26.881 0.000 1 214 93 22 LEU CD1 C 25.558 0.000 2 215 93 22 LEU CD2 C 26.877 0.000 2 216 93 22 LEU N N 128.505 0.000 1 217 94 23 SER H H 8.164 0.000 1 218 94 23 SER HA H 5.527 0.000 1 219 94 23 SER HB2 H 3.444 0.000 1 220 94 23 SER HB3 H 3.444 0.000 1 221 94 23 SER C C 172.435 0.000 1 222 94 23 SER CA C 57.211 0.000 1 223 94 23 SER CB C 66.059 0.000 1 224 94 23 SER N N 115.460 0.000 1 225 95 24 VAL H H 8.191 0.000 1 226 95 24 VAL HA H 4.694 0.000 1 227 95 24 VAL HB H 2.250 0.000 1 228 95 24 VAL HG1 H 0.677 0.000 2 229 95 24 VAL HG2 H 0.817 0.000 2 230 95 24 VAL C C 175.220 0.000 1 231 95 24 VAL CA C 58.334 0.000 1 232 95 24 VAL CB C 35.738 0.000 1 233 95 24 VAL CG1 C 22.588 0.000 2 234 95 24 VAL CG2 C 17.091 0.000 2 235 95 24 VAL N N 114.574 0.000 1 236 96 25 THR H H 8.539 0.000 1 237 96 25 THR HA H 4.463 0.000 1 238 96 25 THR HB H 3.707 0.000 1 239 96 25 THR HG2 H 1.018 0.000 1 240 96 25 THR C C 172.633 0.000 1 241 96 25 THR CA C 62.125 0.000 1 242 96 25 THR CB C 71.186 0.000 1 243 96 25 THR CG2 C 22.336 0.000 1 244 96 25 THR N N 115.138 0.000 1 245 97 26 ALA H H 8.874 0.000 1 246 97 26 ALA HA H 4.955 0.000 1 247 97 26 ALA HB H 0.551 0.000 1 248 97 26 ALA C C 174.939 0.000 1 249 97 26 ALA CA C 50.075 0.000 1 250 97 26 ALA CB C 21.275 0.000 1 251 97 26 ALA N N 129.436 0.000 1 252 98 27 THR H H 8.687 0.000 1 253 98 27 THR HA H 4.607 0.000 1 254 98 27 THR HB H 3.912 0.000 1 255 98 27 THR HG2 H 0.899 0.000 1 256 98 27 THR C C 172.719 0.000 1 257 98 27 THR CA C 60.498 0.000 1 258 98 27 THR CB C 70.648 0.000 1 259 98 27 THR CG2 C 21.130 0.000 1 260 98 27 THR N N 113.865 0.000 1 261 99 28 GLY H H 8.037 0.000 1 262 99 28 GLY HA2 H 3.664 0.000 2 263 99 28 GLY HA3 H 4.400 0.000 2 264 99 28 GLY C C 175.533 0.000 1 265 99 28 GLY CA C 44.006 0.000 1 266 99 28 GLY N N 108.201 0.000 1 267 100 29 GLY H H 8.000 0.000 1 268 100 29 GLY HA2 H 4.701 0.000 2 269 100 29 GLY HA3 H 3.935 0.000 2 270 100 29 GLY C C 173.925 0.000 1 271 100 29 GLY CA C 44.910 0.000 1 272 100 29 GLY N N 106.372 0.000 1 273 101 30 THR H H 9.412 0.000 1 274 101 30 THR HA H 4.352 0.000 1 275 101 30 THR HB H 3.592 0.000 1 276 101 30 THR HG2 H 1.063 0.000 1 277 101 30 THR C C 174.537 0.000 1 278 101 30 THR CA C 61.493 0.000 1 279 101 30 THR CB C 69.713 0.000 1 280 101 30 THR CG2 C 20.918 0.000 1 281 101 30 THR N N 120.433 0.000 1 282 102 31 GLY H H 8.664 0.000 1 283 102 31 GLY CA C 44.001 0.000 1 284 102 31 GLY N N 116.272 0.000 1 285 103 32 PRO HA H 4.092 0.000 1 286 103 32 PRO HB2 H 2.257 0.000 2 287 103 32 PRO HB3 H 2.008 0.000 2 288 103 32 PRO HG2 H 1.574 0.000 2 289 103 32 PRO HG3 H 1.734 0.000 2 290 103 32 PRO HD2 H 3.287 0.000 2 291 103 32 PRO HD3 H 3.373 0.000 2 292 103 32 PRO C C 175.424 0.000 1 293 103 32 PRO CA C 61.577 0.000 1 294 103 32 PRO CB C 35.228 0.000 1 295 103 32 PRO CG C 24.314 0.000 1 296 103 32 PRO CD C 50.579 0.000 1 297 104 33 TYR H H 8.107 0.000 1 298 104 33 TYR HA H 5.188 0.000 1 299 104 33 TYR HB2 H 2.330 0.000 2 300 104 33 TYR HB3 H 2.408 0.000 2 301 104 33 TYR HD1 H 6.685 0.000 1 302 104 33 TYR HD2 H 6.685 0.000 1 303 104 33 TYR HE1 H 6.540 0.000 1 304 104 33 TYR HE2 H 6.540 0.000 1 305 104 33 TYR C C 175.709 0.000 1 306 104 33 TYR CA C 55.600 0.000 1 307 104 33 TYR CB C 40.546 0.000 1 308 104 33 TYR CD1 C 131.727 0.000 1 309 104 33 TYR CD2 C 131.727 0.000 1 310 104 33 TYR CE1 C 117.642 0.000 1 311 104 33 TYR CE2 C 117.642 0.000 1 312 104 33 TYR N N 119.043 0.000 1 313 105 34 THR H H 8.962 0.000 1 314 105 34 THR HA H 4.540 0.000 1 315 105 34 THR HB H 4.028 0.000 1 316 105 34 THR HG2 H 1.047 0.000 1 317 105 34 THR C C 172.385 0.000 1 318 105 34 THR CA C 60.498 0.000 1 319 105 34 THR CB C 71.256 0.000 1 320 105 34 THR CG2 C 21.755 0.000 1 321 105 34 THR N N 113.394 0.000 1 322 106 35 TYR H H 8.192 0.000 1 323 106 35 TYR HA H 4.688 0.000 1 324 106 35 TYR HB2 H 2.262 0.000 2 325 106 35 TYR HB3 H 2.429 0.000 2 326 106 35 TYR HD1 H 6.756 0.000 1 327 106 35 TYR HD2 H 6.756 0.000 1 328 106 35 TYR HE1 H 6.426 0.000 1 329 106 35 TYR HE2 H 6.426 0.000 1 330 106 35 TYR C C 174.207 0.000 1 331 106 35 TYR CA C 57.282 0.000 1 332 106 35 TYR CB C 41.301 0.000 1 333 106 35 TYR CD1 C 133.280 0.000 1 334 106 35 TYR CD2 C 133.280 0.000 1 335 106 35 TYR CE1 C 117.016 0.000 1 336 106 35 TYR CE2 C 117.016 0.000 1 337 106 35 TYR N N 118.570 0.000 1 338 107 36 ALA H H 8.072 0.000 1 339 107 36 ALA HA H 4.822 0.000 1 340 107 36 ALA HB H 1.215 0.000 1 341 107 36 ALA C C 175.915 0.000 1 342 107 36 ALA CA C 51.161 0.000 1 343 107 36 ALA CB C 20.826 0.000 1 344 107 36 ALA N N 124.933 0.000 1 345 108 37 TRP H H 9.401 0.000 1 346 108 37 TRP HA H 5.018 0.000 1 347 108 37 TRP HB2 H 2.893 0.000 1 348 108 37 TRP HB3 H 2.893 0.000 1 349 108 37 TRP HD1 H 6.959 0.000 1 350 108 37 TRP HE1 H 10.734 0.000 1 351 108 37 TRP HE3 H 7.107 0.000 1 352 108 37 TRP HZ2 H 7.124 0.000 1 353 108 37 TRP HZ3 H 6.602 0.000 1 354 108 37 TRP HH2 H 6.623 0.000 1 355 108 37 TRP C C 177.489 0.000 1 356 108 37 TRP CA C 57.329 0.000 1 357 108 37 TRP CB C 31.710 0.000 1 358 108 37 TRP CD1 C 126.365 0.000 1 359 108 37 TRP CE3 C 118.690 0.000 1 360 108 37 TRP CZ2 C 114.798 0.000 1 361 108 37 TRP CZ3 C 123.919 0.000 1 362 108 37 TRP CH2 C 120.724 0.000 1 363 108 37 TRP N N 127.378 0.000 1 364 108 37 TRP NE1 N 130.597 0.000 1 365 109 38 THR H H 9.417 0.000 1 366 109 38 THR HA H 4.872 0.000 1 367 109 38 THR HB H 3.399 0.000 1 368 109 38 THR HG2 H 0.703 0.000 1 369 109 38 THR C C 172.378 0.000 1 370 109 38 THR CA C 59.721 0.000 1 371 109 38 THR CB C 72.942 0.000 1 372 109 38 THR CG2 C 21.003 0.000 1 373 109 38 THR N N 113.827 0.000 1 374 110 39 LYS H H 8.528 0.000 1 375 110 39 LYS HA H 4.315 0.000 1 376 110 39 LYS HB2 H 1.357 0.000 2 377 110 39 LYS HB3 H 0.927 0.000 2 378 110 39 LYS C C 176.542 0.000 1 379 110 39 LYS CA C 54.423 0.000 1 380 110 39 LYS CB C 34.344 0.000 1 381 110 39 LYS N N 120.269 0.000 1 382 111 40 ASP H H 9.853 0.000 1 383 111 40 ASP HA H 4.199 0.000 1 384 111 40 ASP HB2 H 2.785 0.000 2 385 111 40 ASP HB3 H 2.620 0.000 2 386 111 40 ASP C C 176.215 0.000 1 387 111 40 ASP CA C 55.745 0.000 1 388 111 40 ASP CB C 39.667 0.000 1 389 111 40 ASP N N 128.915 0.000 1 390 112 41 GLY H H 8.304 0.000 1 391 112 41 GLY HA2 H 4.146 0.000 2 392 112 41 GLY HA3 H 3.415 0.000 2 393 112 41 GLY C C 173.819 0.000 1 394 112 41 GLY CA C 45.020 0.000 1 395 112 41 GLY N N 101.936 0.000 1 396 113 42 SER H H 7.828 0.000 1 397 113 42 SER HA H 4.971 0.000 1 398 113 42 SER HB2 H 3.666 0.000 2 399 113 42 SER HB3 H 3.795 0.000 2 400 113 42 SER C C 171.392 0.000 1 401 113 42 SER CA C 55.899 0.000 1 402 113 42 SER CB C 63.817 0.000 1 403 113 42 SER N N 118.028 0.000 1 404 114 43 PRO HA H 4.519 0.000 1 405 114 43 PRO HB2 H 2.310 0.000 2 406 114 43 PRO HB3 H 1.675 0.000 2 407 114 43 PRO HG2 H 1.856 0.000 2 408 114 43 PRO HG3 H 2.003 0.000 2 409 114 43 PRO HD2 H 3.893 0.000 2 410 114 43 PRO HD3 H 3.623 0.000 2 411 114 43 PRO C C 176.824 0.000 1 412 114 43 PRO CA C 63.287 0.000 1 413 114 43 PRO CB C 32.570 0.000 1 414 114 43 PRO CG C 27.265 0.000 1 415 115 44 ILE H H 7.930 0.000 1 416 115 44 ILE HA H 4.341 0.000 1 417 115 44 ILE HB H 1.526 0.000 1 418 115 44 ILE HG12 H 0.752 0.000 2 419 115 44 ILE HG13 H 1.244 0.000 2 420 115 44 ILE HG2 H 0.703 0.000 1 421 115 44 ILE HD1 H 0.328 0.000 1 422 115 44 ILE C C 175.292 0.000 1 423 115 44 ILE CA C 59.142 0.000 1 424 115 44 ILE CB C 38.320 0.000 1 425 115 44 ILE CG1 C 26.465 0.000 1 426 115 44 ILE CG2 C 17.239 0.000 1 427 115 44 ILE CD1 C 13.231 0.000 1 428 115 44 ILE N N 124.852 0.000 1 429 116 45 PRO HA H 4.261 0.000 1 430 116 45 PRO HB2 H 1.829 0.000 2 431 116 45 PRO HB3 H 2.207 0.000 2 432 116 45 PRO HG2 H 1.983 0.000 2 433 116 45 PRO HG3 H 1.902 0.000 2 434 116 45 PRO HD2 H 3.952 0.000 2 435 116 45 PRO HD3 H 3.681 0.000 2 436 116 45 PRO C C 176.841 0.000 1 437 116 45 PRO CA C 64.148 0.000 1 438 116 45 PRO CB C 32.063 0.000 1 439 116 45 PRO CG C 27.010 0.000 1 440 116 45 PRO CD C 51.193 0.000 1 441 117 46 ASP H H 8.556 0.000 1 442 117 46 ASP HA H 4.338 0.000 1 443 117 46 ASP HB2 H 2.726 0.000 1 444 117 46 ASP HB3 H 2.726 0.000 1 445 117 46 ASP C C 174.681 0.000 1 446 117 46 ASP CA C 54.966 0.000 1 447 117 46 ASP CB C 39.727 0.000 1 448 117 46 ASP N N 115.346 0.000 1 449 118 47 ALA H H 7.285 0.000 1 450 118 47 ALA HA H 4.656 0.000 1 451 118 47 ALA HB H 1.108 0.000 1 452 118 47 ALA C C 176.395 0.000 1 453 118 47 ALA CA C 51.675 0.000 1 454 118 47 ALA CB C 18.727 0.000 1 455 118 47 ALA N N 122.977 0.000 1 456 119 48 SER H H 8.539 0.000 1 457 119 48 SER HA H 5.130 0.000 1 458 119 48 SER HB2 H 3.859 0.000 2 459 119 48 SER HB3 H 4.099 0.000 2 460 119 48 SER C C 174.566 0.000 1 461 119 48 SER CA C 57.375 0.000 1 462 119 48 SER CB C 64.831 0.000 1 463 119 48 SER N N 117.224 0.000 1 464 120 49 GLY H H 8.832 0.000 1 465 120 49 GLY C C 171.543 0.000 1 466 120 49 GLY CA C 43.993 0.000 1 467 120 49 GLY N N 112.182 0.000 1 468 121 50 ALA H H 7.696 0.000 1 469 121 50 ALA HA H 3.144 0.000 1 470 121 50 ALA HB H 1.120 0.000 1 471 121 50 ALA C C 176.060 0.000 1 472 121 50 ALA CA C 53.604 0.000 1 473 121 50 ALA CB C 18.810 0.000 1 474 121 50 ALA N N 119.850 0.000 1 475 122 51 THR H H 7.232 0.000 1 476 122 51 THR HA H 5.115 0.000 1 477 122 51 THR HB H 3.618 0.000 1 478 122 51 THR HG2 H 0.798 0.000 1 479 122 51 THR C C 173.297 0.000 1 480 122 51 THR CA C 60.329 0.000 1 481 122 51 THR CB C 71.345 0.000 1 482 122 51 THR CG2 C 21.556 0.000 1 483 122 51 THR N N 109.149 0.000 1 484 123 52 TYR H H 8.993 0.000 1 485 123 52 TYR HA H 4.126 0.000 1 486 123 52 TYR HB2 H 1.064 0.000 2 487 123 52 TYR HB3 H 0.595 0.000 2 488 123 52 TYR HD1 H 6.221 0.000 1 489 123 52 TYR HD2 H 6.221 0.000 1 490 123 52 TYR HE1 H 6.362 0.000 1 491 123 52 TYR HE2 H 6.362 0.000 1 492 123 52 TYR C C 172.477 0.000 1 493 123 52 TYR CA C 56.477 0.000 1 494 123 52 TYR CB C 38.176 0.000 1 495 123 52 TYR CD1 C 131.905 0.000 1 496 123 52 TYR CD2 C 131.905 0.000 1 497 123 52 TYR CE1 C 116.879 0.000 1 498 123 52 TYR CE2 C 116.879 0.000 1 499 123 52 TYR N N 130.371 0.000 1 500 124 53 THR H H 7.354 0.000 1 501 124 53 THR HA H 4.994 0.000 1 502 124 53 THR HB H 3.356 0.000 1 503 124 53 THR HG2 H 0.635 0.000 1 504 124 53 THR C C 172.107 0.000 1 505 124 53 THR CA C 58.721 0.000 1 506 124 53 THR CB C 71.024 0.000 1 507 124 53 THR CG2 C 19.835 0.000 1 508 124 53 THR N N 121.484 0.000 1 509 125 54 LYS H H 8.599 0.000 1 510 125 54 LYS HA H 4.480 0.000 1 511 125 54 LYS HB2 H 1.369 0.000 2 512 125 54 LYS HB3 H 1.587 0.000 2 513 125 54 LYS HG2 H 1.168 0.000 2 514 125 54 LYS HG3 H 1.083 0.000 2 515 125 54 LYS HD2 H 1.561 0.000 2 516 125 54 LYS HD3 H 1.484 0.000 2 517 125 54 LYS HE2 H 2.962 0.000 1 518 125 54 LYS HE3 H 2.962 0.000 1 519 125 54 LYS C C 173.948 0.000 1 520 125 54 LYS CA C 51.764 0.000 1 521 125 54 LYS CB C 33.954 0.000 1 522 125 54 LYS CG C 23.833 0.000 1 523 125 54 LYS CD C 28.526 0.000 1 524 125 54 LYS CE C 41.751 0.000 1 525 125 54 LYS N N 128.266 0.000 1 526 126 55 PRO HA H 3.875 0.000 1 527 126 55 PRO HB2 H 1.762 0.000 2 528 126 55 PRO HB3 H 2.085 0.000 2 529 126 55 PRO HG2 H 1.874 0.000 1 530 126 55 PRO HG3 H 1.874 0.000 1 531 126 55 PRO HD2 H 3.619 0.000 1 532 126 55 PRO HD3 H 3.619 0.000 1 533 126 55 PRO C C 175.736 0.000 1 534 126 55 PRO CA C 64.837 0.000 1 535 126 55 PRO CB C 32.286 0.000 1 536 126 55 PRO CG C 27.124 0.000 1 537 126 55 PRO CD C 50.764 0.000 1 538 127 56 THR H H 7.322 0.000 1 539 127 56 THR HA H 3.781 0.000 1 540 127 56 THR HB H 3.795 0.000 1 541 127 56 THR HG2 H 0.925 0.000 1 542 127 56 THR C C 173.899 0.000 1 543 127 56 THR CA C 58.203 0.000 1 544 127 56 THR CB C 70.145 0.000 1 545 127 56 THR CG2 C 21.596 0.000 1 546 127 56 THR N N 108.448 0.000 1 547 128 57 ALA H H 8.962 0.000 1 548 128 57 ALA HA H 4.127 0.000 1 549 128 57 ALA HB H 1.164 0.000 1 550 128 57 ALA C C 176.904 0.000 1 551 128 57 ALA CA C 52.796 0.000 1 552 128 57 ALA CB C 19.278 0.000 1 553 128 57 ALA N N 127.846 0.000 1 554 129 58 ALA H H 9.903 0.000 1 555 129 58 ALA HA H 4.628 0.000 1 556 129 58 ALA HB H 1.361 0.000 1 557 129 58 ALA C C 177.476 0.000 1 558 129 58 ALA CA C 49.755 0.000 1 559 129 58 ALA CB C 22.520 0.000 1 560 129 58 ALA N N 128.660 0.000 1 561 130 59 ALA H H 8.972 0.000 1 562 130 59 ALA HA H 3.751 0.000 1 563 130 59 ALA HB H 1.320 0.000 1 564 130 59 ALA C C 180.866 0.000 1 565 130 59 ALA CA C 56.255 0.000 1 566 130 59 ALA CB C 18.060 0.000 1 567 130 59 ALA N N 124.095 0.000 1 568 131 60 GLU H H 8.856 0.000 1 569 131 60 GLU HA H 4.089 0.000 1 570 131 60 GLU HB2 H 1.955 0.000 1 571 131 60 GLU HB3 H 1.955 0.000 1 572 131 60 GLU HG2 H 2.096 0.000 2 573 131 60 GLU HG3 H 2.139 0.000 2 574 131 60 GLU C C 175.966 0.000 1 575 131 60 GLU CA C 58.151 0.000 1 576 131 60 GLU CB C 28.337 0.000 1 577 131 60 GLU CG C 35.894 0.000 1 578 131 60 GLU N N 114.066 0.000 1 579 132 61 ASP H H 8.208 0.000 1 580 132 61 ASP HA H 4.439 0.000 1 581 132 61 ASP HB2 H 2.471 0.000 2 582 132 61 ASP HB3 H 2.752 0.000 2 583 132 61 ASP C C 176.726 0.000 1 584 132 61 ASP CA C 55.542 0.000 1 585 132 61 ASP CB C 41.370 0.000 1 586 132 61 ASP N N 116.733 0.000 1 587 133 62 ALA H H 7.416 0.000 1 588 133 62 ALA HA H 4.029 0.000 1 589 133 62 ALA HB H 1.529 0.000 1 590 133 62 ALA C C 176.504 0.000 1 591 133 62 ALA CA C 53.155 0.000 1 592 133 62 ALA CB C 19.622 0.000 1 593 133 62 ALA N N 123.748 0.000 1 594 134 63 GLY H H 8.374 0.000 1 595 134 63 GLY HA2 H 4.337 0.000 2 596 134 63 GLY HA3 H 3.944 0.000 2 597 134 63 GLY C C 171.680 0.000 1 598 134 63 GLY CA C 44.937 0.000 1 599 134 63 GLY N N 108.327 0.000 1 600 135 64 SER H H 8.926 0.000 1 601 135 64 SER HA H 5.243 0.000 1 602 135 64 SER HB2 H 3.672 0.000 2 603 135 64 SER HB3 H 3.450 0.000 2 604 135 64 SER C C 174.698 0.000 1 605 135 64 SER CA C 57.672 0.000 1 606 135 64 SER CB C 63.526 0.000 1 607 135 64 SER N N 116.724 0.000 1 608 136 65 TYR H H 9.676 0.000 1 609 136 65 TYR HA H 5.377 0.000 1 610 136 65 TYR HB2 H 2.671 0.000 2 611 136 65 TYR HB3 H 2.884 0.000 2 612 136 65 TYR HD1 H 6.905 0.000 1 613 136 65 TYR HD2 H 6.905 0.000 1 614 136 65 TYR HE1 H 6.515 0.000 1 615 136 65 TYR HE2 H 6.515 0.000 1 616 136 65 TYR C C 173.871 0.000 1 617 136 65 TYR CA C 57.350 0.000 1 618 136 65 TYR CB C 43.078 0.000 1 619 136 65 TYR CD1 C 133.681 0.000 1 620 136 65 TYR CD2 C 133.681 0.000 1 621 136 65 TYR CE1 C 116.523 0.000 1 622 136 65 TYR CE2 C 116.523 0.000 1 623 136 65 TYR N N 129.507 0.000 1 624 137 66 LYS H H 8.541 0.000 1 625 137 66 LYS HA H 4.185 0.000 1 626 137 66 LYS HB2 H 1.372 0.000 2 627 137 66 LYS HB3 H 1.461 0.000 2 628 137 66 LYS HG2 H 0.937 0.000 2 629 137 66 LYS HG3 H 1.122 0.000 2 630 137 66 LYS HD2 H 1.271 0.000 1 631 137 66 LYS HD3 H 1.271 0.000 1 632 137 66 LYS HE2 H 2.598 0.000 2 633 137 66 LYS HE3 H 2.477 0.000 2 634 137 66 LYS C C 171.875 0.000 1 635 137 66 LYS CA C 55.648 0.000 1 636 137 66 LYS CB C 36.174 0.000 1 637 137 66 LYS CG C 23.095 0.000 1 638 137 66 LYS CD C 28.988 0.000 1 639 137 66 LYS CE C 41.999 0.000 1 640 137 66 LYS N N 119.277 0.000 1 641 138 67 VAL H H 8.328 0.000 1 642 138 67 VAL HA H 4.568 0.000 1 643 138 67 VAL HG1 H 0.185 0.000 1 644 138 67 VAL HG2 H 0.185 0.000 1 645 138 67 VAL C C 172.245 0.000 1 646 138 67 VAL CA C 57.392 0.000 1 647 138 67 VAL CB C 33.547 0.000 1 648 138 67 VAL CG1 C 20.749 0.000 2 649 138 67 VAL CG2 C 21.092 0.000 2 650 138 67 VAL N N 121.482 0.000 1 651 139 68 THR H H 8.320 0.000 1 652 139 68 THR HA H 4.725 0.000 1 653 139 68 THR HB H 3.498 0.000 1 654 139 68 THR HG2 H 0.872 0.000 1 655 139 68 THR C C 174.545 0.000 1 656 139 68 THR CA C 61.563 0.000 1 657 139 68 THR CB C 70.602 0.000 1 658 139 68 THR CG2 C 21.405 0.000 1 659 139 68 THR N N 123.519 0.000 1 660 140 69 VAL H H 9.008 0.000 1 661 140 69 VAL HA H 4.430 0.000 1 662 140 69 VAL HB H 1.591 0.000 1 663 140 69 VAL HG1 H 0.572 0.000 2 664 140 69 VAL HG2 H 0.283 0.000 2 665 140 69 VAL C C 173.849 0.000 1 666 140 69 VAL CA C 60.267 0.000 1 667 140 69 VAL CB C 32.917 0.000 1 668 140 69 VAL CG1 C 21.733 0.000 2 669 140 69 VAL CG2 C 20.572 0.000 2 670 140 69 VAL N N 131.984 0.000 1 671 141 70 THR H H 8.548 0.000 1 672 141 70 THR HA H 5.216 0.000 1 673 141 70 THR HB H 3.471 0.000 1 674 141 70 THR HG2 H 1.062 0.000 1 675 141 70 THR C C 173.995 0.000 1 676 141 70 THR CA C 60.688 0.000 1 677 141 70 THR CB C 70.617 0.000 1 678 141 70 THR CG2 C 20.908 0.000 1 679 141 70 THR N N 123.213 0.000 1 680 142 71 ASP H H 9.138 0.000 1 681 142 71 ASP HA H 4.965 0.000 1 682 142 71 ASP HB2 H 2.422 0.000 2 683 142 71 ASP HB3 H 3.242 0.000 2 684 142 71 ASP C C 178.518 0.000 1 685 142 71 ASP CA C 52.095 0.000 1 686 142 71 ASP CB C 41.981 0.000 1 687 142 71 ASP N N 128.447 0.000 1 688 143 72 SER H H 8.263 0.000 1 689 143 72 SER HA H 4.168 0.000 1 690 143 72 SER HB2 H 3.755 0.000 2 691 143 72 SER HB3 H 3.650 0.000 2 692 143 72 SER C C 175.076 0.000 1 693 143 72 SER CA C 61.112 0.000 1 694 143 72 SER CB C 63.335 0.000 1 695 143 72 SER N N 112.695 0.000 1 696 144 73 LYS H H 8.270 0.000 1 697 144 73 LYS HA H 4.357 0.000 1 698 144 73 LYS HB2 H 1.970 0.000 2 699 144 73 LYS HB3 H 1.817 0.000 2 700 144 73 LYS HG2 H 1.535 0.000 1 701 144 73 LYS HG3 H 1.535 0.000 1 702 144 73 LYS C C 175.469 0.000 1 703 144 73 LYS CA C 54.708 0.000 1 704 144 73 LYS CB C 31.388 0.000 1 705 144 73 LYS CG C 28.170 0.000 1 706 144 73 LYS N N 122.571 0.000 1 707 145 74 GLN H H 7.777 0.000 1 708 145 74 GLN HA H 3.376 0.000 1 709 145 74 GLN HB2 H 2.248 0.000 2 710 145 74 GLN HB3 H 2.151 0.000 2 711 145 74 GLN HG2 H 2.115 0.000 1 712 145 74 GLN HG3 H 2.115 0.000 1 713 145 74 GLN C C 174.943 0.000 1 714 145 74 GLN CA C 57.349 0.000 1 715 145 74 GLN CB C 25.089 0.000 1 716 145 74 GLN CG C 34.679 0.000 1 717 145 74 GLN CD C 180.647 0.000 1 718 145 74 GLN N N 111.134 0.000 1 719 145 74 GLN NE2 N 112.264 0.000 1 720 146 75 VAL H H 8.318 0.000 1 721 146 75 VAL HA H 3.848 0.000 1 722 146 75 VAL HB H 1.889 0.000 1 723 146 75 VAL HG1 H 0.801 0.000 2 724 146 75 VAL HG2 H 0.797 0.000 2 725 146 75 VAL C C 174.894 0.000 1 726 146 75 VAL CA C 63.352 0.000 1 727 146 75 VAL CB C 30.931 0.000 1 728 146 75 VAL CG1 C 22.500 0.000 1 729 146 75 VAL CG2 C 22.500 0.000 1 730 146 75 VAL N N 124.282 0.000 1 731 147 76 SER H H 8.223 0.000 1 732 147 76 SER HA H 5.764 0.000 1 733 147 76 SER HB2 H 3.308 0.000 2 734 147 76 SER HB3 H 3.376 0.000 2 735 147 76 SER C C 173.941 0.000 1 736 147 76 SER CA C 56.549 0.000 1 737 147 76 SER CB C 67.032 0.000 1 738 147 76 SER N N 120.039 0.000 1 739 148 77 LYS H H 9.000 0.000 1 740 148 77 LYS HA H 4.340 0.000 1 741 148 77 LYS HB2 H 1.327 0.000 2 742 148 77 LYS HB3 H 1.262 0.000 2 743 148 77 LYS HG2 H 1.046 0.000 1 744 148 77 LYS HG3 H 1.046 0.000 1 745 148 77 LYS HD2 H 1.663 0.000 2 746 148 77 LYS HD3 H 1.554 0.000 2 747 148 77 LYS HE2 H 2.898 0.000 1 748 148 77 LYS HE3 H 2.898 0.000 1 749 148 77 LYS C C 173.750 0.000 1 750 148 77 LYS CA C 54.355 0.000 1 751 148 77 LYS CB C 36.386 0.000 1 752 148 77 LYS CG C 24.966 0.000 1 753 148 77 LYS CD C 28.223 0.000 1 754 148 77 LYS CE C 42.480 0.000 1 755 148 77 LYS N N 123.553 0.000 1 756 149 78 ASP H H 8.495 0.000 1 757 149 78 ASP HA H 5.053 0.000 1 758 149 78 ASP HB2 H 2.461 0.000 1 759 149 78 ASP HB3 H 2.461 0.000 1 760 149 78 ASP C C 176.925 0.000 1 761 149 78 ASP CA C 53.285 0.000 1 762 149 78 ASP CB C 42.013 0.000 1 763 149 78 ASP N N 125.795 0.000 1 764 150 79 SER H H 8.971 0.000 1 765 150 79 SER HA H 4.272 0.000 1 766 150 79 SER HB2 H 4.477 0.000 2 767 150 79 SER HB3 H 3.687 0.000 2 768 150 79 SER C C 174.656 0.000 1 769 150 79 SER CA C 58.146 0.000 1 770 150 79 SER CB C 66.289 0.000 1 771 150 79 SER N N 117.638 0.000 1 772 151 80 THR H H 10.091 0.000 1 773 151 80 THR HA H 3.858 0.000 1 774 151 80 THR HB H 3.796 0.000 1 775 151 80 THR HG2 H 0.864 0.000 1 776 151 80 THR C C 174.587 0.000 1 777 151 80 THR CA C 65.527 0.000 1 778 151 80 THR CB C 70.071 0.000 1 779 151 80 THR CG2 C 20.186 0.000 1 780 151 80 THR N N 121.505 0.000 1 781 152 81 THR H H 8.372 0.000 1 782 152 81 THR HA H 4.451 0.000 1 783 152 81 THR HB H 3.911 0.000 1 784 152 81 THR HG2 H 0.891 0.000 1 785 152 81 THR C C 172.118 0.000 1 786 152 81 THR CA C 63.139 0.000 1 787 152 81 THR CB C 68.843 0.000 1 788 152 81 THR CG2 C 21.880 0.000 1 789 152 81 THR N N 125.333 0.000 1 790 153 82 CYS H H 9.540 0.000 1 791 153 82 CYS HA H 4.660 0.000 1 792 153 82 CYS HB2 H 2.528 0.000 2 793 153 82 CYS HB3 H 3.046 0.000 2 794 153 82 CYS C C 174.668 0.000 1 795 153 82 CYS CA C 57.422 0.000 1 796 153 82 CYS CB C 30.840 0.000 1 797 153 82 CYS N N 129.586 0.000 1 798 154 83 ALA H H 8.503 0.000 1 799 154 83 ALA HA H 4.676 0.000 1 800 154 83 ALA HB H 1.315 0.000 1 801 154 83 ALA C C 176.182 0.000 1 802 154 83 ALA CA C 51.762 0.000 1 803 154 83 ALA CB C 17.871 0.000 1 804 154 83 ALA N N 134.057 0.000 1 805 155 84 VAL H H 9.574 0.000 1 806 155 84 VAL HA H 4.905 0.000 1 807 155 84 VAL HB H 2.399 0.000 1 808 155 84 VAL HG1 H 0.880 0.000 2 809 155 84 VAL HG2 H 0.619 0.000 2 810 155 84 VAL C C 177.523 0.000 1 811 155 84 VAL CA C 61.965 0.000 1 812 155 84 VAL CB C 33.312 0.000 1 813 155 84 VAL CG1 C 21.365 0.000 2 814 155 84 VAL CG2 C 23.782 0.000 2 815 155 84 VAL N N 130.893 0.000 1 816 156 85 THR H H 8.819 0.000 1 817 156 85 THR HA H 4.433 0.000 1 818 156 85 THR HB H 3.945 0.000 1 819 156 85 THR HG2 H 1.058 0.000 1 820 156 85 THR C C 172.390 0.000 1 821 156 85 THR CA C 61.052 0.000 1 822 156 85 THR CB C 70.991 0.000 1 823 156 85 THR CG2 C 21.601 0.000 1 824 156 85 THR N N 124.302 0.000 1 825 157 86 VAL H H 8.275 0.000 1 826 157 86 VAL HA H 4.760 0.000 1 827 157 86 VAL HB H 1.690 0.000 1 828 157 86 VAL HG1 H 0.546 0.000 2 829 157 86 VAL HG2 H 0.322 0.000 2 830 157 86 VAL C C 175.764 0.000 1 831 157 86 VAL CA C 59.972 0.000 1 832 157 86 VAL CB C 33.038 0.000 1 833 157 86 VAL CG1 C 19.653 0.000 2 834 157 86 VAL CG2 C 19.315 0.000 2 835 157 86 VAL N N 124.017 0.000 1 836 158 87 ASN H H 8.960 0.000 1 837 158 87 ASN HA H 4.972 0.000 1 838 158 87 ASN HB2 H 2.712 0.000 2 839 158 87 ASN HB3 H 2.454 0.000 2 840 158 87 ASN HD21 H 6.627 0.000 1 841 158 87 ASN HD22 H 7.861 0.000 1 842 158 87 ASN C C 172.598 0.000 1 843 158 87 ASN CA C 50.377 0.000 1 844 158 87 ASN CB C 39.024 0.000 1 845 158 87 ASN CG C 175.975 0.000 1 846 158 87 ASN N N 128.536 0.000 1 847 158 87 ASN ND2 N 113.545 0.000 1 848 159 88 PRO HA H 4.548 0.000 1 849 159 88 PRO HB2 H 1.799 0.000 2 850 159 88 PRO HB3 H 2.214 0.000 2 851 159 88 PRO HG2 H 1.905 0.000 1 852 159 88 PRO HG3 H 1.905 0.000 1 853 159 88 PRO HD2 H 3.956 0.000 2 854 159 88 PRO HD3 H 3.653 0.000 2 855 159 88 PRO C C 176.869 0.000 1 856 159 88 PRO CA C 62.491 0.000 1 857 159 88 PRO CB C 32.399 0.000 1 858 159 88 PRO CG C 27.571 0.000 1 859 159 88 PRO CD C 51.174 0.000 1 860 160 89 THR H H 8.550 0.000 1 861 160 89 THR HA H 4.092 0.000 1 862 160 89 THR HB H 3.877 0.000 1 863 160 89 THR HG2 H 1.075 0.000 1 864 160 89 THR C C 174.540 0.000 1 865 160 89 THR CA C 62.775 0.000 1 866 160 89 THR CB C 69.643 0.000 1 867 160 89 THR CG2 C 21.832 0.000 1 868 160 89 THR N N 117.047 0.000 1 869 161 90 VAL H H 8.249 0.000 1 870 161 90 VAL HA H 4.309 0.000 1 871 161 90 VAL HB H 1.917 0.000 1 872 161 90 VAL HG1 H 0.791 0.000 1 873 161 90 VAL HG2 H 0.791 0.000 1 874 161 90 VAL C C 174.244 0.000 1 875 161 90 VAL CA C 59.579 0.000 1 876 161 90 VAL CB C 32.559 0.000 1 877 161 90 VAL N N 124.658 0.000 1 878 162 91 PRO HA H 4.244 0.000 1 879 162 91 PRO HB2 H 1.777 0.000 2 880 162 91 PRO HB3 H 2.149 0.000 2 881 162 91 PRO HG2 H 1.826 0.000 2 882 162 91 PRO HG3 H 1.922 0.000 2 883 162 91 PRO HD2 H 3.743 0.000 2 884 162 91 PRO HD3 H 3.549 0.000 2 885 162 91 PRO C C 177.459 0.000 1 886 162 91 PRO CA C 63.396 0.000 1 887 162 91 PRO CB C 31.989 0.000 1 888 162 91 PRO CG C 28.093 0.000 1 889 162 91 PRO CD C 50.943 0.000 1 890 163 92 GLY H H 8.428 0.000 1 891 163 92 GLY HA2 H 3.831 0.000 2 892 163 92 GLY HA3 H 4.691 0.000 2 893 163 92 GLY C C 174.728 0.000 1 894 163 92 GLY CA C 45.216 0.000 1 895 163 92 GLY N N 109.744 0.000 1 896 164 93 GLY H H 8.232 0.000 1 897 164 93 GLY HA2 H 4.693 0.000 2 898 164 93 GLY HA3 H 3.833 0.000 2 899 164 93 GLY C C 174.096 0.000 1 900 164 93 GLY CA C 45.208 0.000 1 901 164 93 GLY N N 108.744 0.000 1 902 165 94 LEU H H 8.079 0.000 1 903 165 94 LEU HA H 4.164 0.000 1 904 165 94 LEU HB2 H 1.374 0.000 2 905 165 94 LEU HB3 H 1.434 0.000 2 906 165 94 LEU HG H 1.434 0.000 1 907 165 94 LEU HD1 H 0.694 0.000 2 908 165 94 LEU HD2 H 0.750 0.000 2 909 165 94 LEU C C 177.383 0.000 1 910 165 94 LEU CA C 55.218 0.000 1 911 165 94 LEU CB C 42.190 0.000 1 912 165 94 LEU CG C 26.852 0.000 1 913 165 94 LEU CD1 C 24.518 0.000 2 914 165 94 LEU CD2 C 23.399 0.000 2 915 165 94 LEU N N 121.142 0.000 1 916 166 95 GLU H H 8.389 0.000 1 917 166 95 GLU HA H 4.032 0.000 1 918 166 95 GLU HB2 H 1.762 0.000 2 919 166 95 GLU HB3 H 1.710 0.000 2 920 166 95 GLU HG2 H 1.978 0.000 2 921 166 95 GLU HG3 H 2.052 0.000 2 922 166 95 GLU C C 175.915 0.000 1 923 166 95 GLU CA C 56.775 0.000 1 924 166 95 GLU CB C 29.836 0.000 1 925 166 95 GLU CG C 35.746 0.000 1 926 166 95 GLU N N 121.038 0.000 1 927 167 96 HIS H H 8.070 0.000 1 928 167 96 HIS HA H 4.705 0.000 1 929 167 96 HIS HB2 H 4.188 0.000 2 930 167 96 HIS HB3 H 2.851 0.000 2 931 167 96 HIS C C 174.678 0.000 1 932 167 96 HIS CA C 56.298 0.000 1 933 167 96 HIS CB C 30.620 0.000 1 934 167 96 HIS N N 119.868 0.000 1 stop_ save_