data_26852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial Backbone 1H, 13C, and 15N Chemical Shift Assignments for VirB8 from Brucella suis ; _BMRB_accession_number 26852 _BMRB_flat_file_name bmr26852.str _Entry_type original _Submission_date 2016-07-13 _Accession_date 2016-07-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Partial Backbone 1H, 13C, and 15N Chemical Shift Assignments for Periplasmic fragment (residues 77-239) of VirB8 from Brucella suis. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharifahmadian Mahzad . . 2 Lecoq Lauriane . . 3 Omichinski James G. . 4 Baron Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "13C chemical shifts" 416 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-09 update BMRB 'update entry citation' 2017-02-22 original author 'original release' stop_ _Original_release_date 2016-07-13 save_ ############################# # Citation for this entry # ############################# save_VirB8p_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Monomer-to-dimer transition of Brucella suis type IV secretion system component VirB8 induces conformational changes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28236662 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharifahmadian Mahzad . . 2 Arya Tarun . . 3 Bessette Benoit . . 4 Lecoq Lauriane . . 5 Ruediger Edward . . 6 Omichinski James G. . 7 Baron Christian . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 284 _Journal_issue 8 _Journal_ISSN 1742-4658 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1218 _Page_last 1232 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VirB8 homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VirB8p subunit, 1' $VirB8p_homodimer 'VirB8p subunit, 2' $VirB8p_homodimer stop_ _System_molecular_weight 36404.2008 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Crucial role in assembaly of type iv secretion system complex in gram negative bacteria' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VirB8p_homodimer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VirB8p _Molecular_mass 18202.1504 _Mol_thiol_state 'not present' loop_ _Biological_function 'Type iv secretion systems are responsible for transfer of toxins and conjugative plasmids.' 'VirB8 is a subunit from type iv secretion system complex in bacteria and is important for the function of the complex.' stop_ _Details 'VirB8p is the periplasmic fragment of VirB8. It forms a homodimer at concentrations above 0.1 mM.' ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; ARVNAQTGAPDILTSLDEKS VSYDTVMDKYWLSQYVIARE TYDWYTLQKDYETVGMLSSP SEGQSYASQFQGDKALDKQY GSNVRTSVTIVSIVPNGKGI GTVRFAKTTKRTNETGDGET THWIATIGYQYVNPSLMSES ARLTNPLGFNVTSYRVDPEM GVVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ARG 3 3 VAL 4 4 ASN 5 5 ALA 6 6 GLN 7 7 THR 8 8 GLY 9 9 ALA 10 10 PRO 11 11 ASP 12 12 ILE 13 13 LEU 14 14 THR 15 15 SER 16 16 LEU 17 17 ASP 18 18 GLU 19 19 LYS 20 20 SER 21 21 VAL 22 22 SER 23 23 TYR 24 24 ASP 25 25 THR 26 26 VAL 27 27 MET 28 28 ASP 29 29 LYS 30 30 TYR 31 31 TRP 32 32 LEU 33 33 SER 34 34 GLN 35 35 TYR 36 36 VAL 37 37 ILE 38 38 ALA 39 39 ARG 40 40 GLU 41 41 THR 42 42 TYR 43 43 ASP 44 44 TRP 45 45 TYR 46 46 THR 47 47 LEU 48 48 GLN 49 49 LYS 50 50 ASP 51 51 TYR 52 52 GLU 53 53 THR 54 54 VAL 55 55 GLY 56 56 MET 57 57 LEU 58 58 SER 59 59 SER 60 60 PRO 61 61 SER 62 62 GLU 63 63 GLY 64 64 GLN 65 65 SER 66 66 TYR 67 67 ALA 68 68 SER 69 69 GLN 70 70 PHE 71 71 GLN 72 72 GLY 73 73 ASP 74 74 LYS 75 75 ALA 76 76 LEU 77 77 ASP 78 78 LYS 79 79 GLN 80 80 TYR 81 81 GLY 82 82 SER 83 83 ASN 84 84 VAL 85 85 ARG 86 86 THR 87 87 SER 88 88 VAL 89 89 THR 90 90 ILE 91 91 VAL 92 92 SER 93 93 ILE 94 94 VAL 95 95 PRO 96 96 ASN 97 97 GLY 98 98 LYS 99 99 GLY 100 100 ILE 101 101 GLY 102 102 THR 103 103 VAL 104 104 ARG 105 105 PHE 106 106 ALA 107 107 LYS 108 108 THR 109 109 THR 110 110 LYS 111 111 ARG 112 112 THR 113 113 ASN 114 114 GLU 115 115 THR 116 116 GLY 117 117 ASP 118 118 GLY 119 119 GLU 120 120 THR 121 121 THR 122 122 HIS 123 123 TRP 124 124 ILE 125 125 ALA 126 126 THR 127 127 ILE 128 128 GLY 129 129 TYR 130 130 GLN 131 131 TYR 132 132 VAL 133 133 ASN 134 134 PRO 135 135 SER 136 136 LEU 137 137 MET 138 138 SER 139 139 GLU 140 140 SER 141 141 ALA 142 142 ARG 143 143 LEU 144 144 THR 145 145 ASN 146 146 PRO 147 147 LEU 148 148 GLY 149 149 PHE 150 150 ASN 151 151 VAL 152 152 THR 153 153 SER 154 154 TYR 155 155 ARG 156 156 VAL 157 157 ASP 158 158 PRO 159 159 GLU 160 160 MET 161 161 GLY 162 162 VAL 163 163 VAL 164 164 GLN 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 _Details $VirB8p_homodimer enterobacteria 562 Bacteria . Escherichia coli 'VirB8 from Brucella suis is cloned in pHT vector plasmid and expressed in E.coli' 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 $VirB8p_homodimer 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pHTVirB8sp 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 $VirB8p_homodimer 0.35 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % '[U-99% 2H]' H2O 90 % 'natural abundance' CHAPS 30 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'The Quebec/Eastern Canada High Field NMR Facility_McGill University' 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' 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 'VirB8p subunit, 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 1 1 ALA C C 177.504 0.05 1 2 1 1 ALA CA C 52.537 0.05 1 3 1 1 ALA CB C 19.328 0.05 1 4 2 2 ARG H H 8.342 0.01 1 5 2 2 ARG C C 176.275 0.05 1 6 2 2 ARG CA C 56.049 0.05 1 7 2 2 ARG CB C 30.731 0.05 1 8 2 2 ARG N N 121.084 0.05 1 9 3 3 VAL H H 8.170 0.01 1 10 3 3 VAL C C 175.801 0.05 1 11 3 3 VAL CA C 62.213 0.05 1 12 3 3 VAL CB C 32.928 0.05 1 13 3 3 VAL N N 121.252 0.05 1 14 4 4 ASN H H 8.503 0.01 1 15 4 4 ASN C C 175.004 0.05 1 16 4 4 ASN CA C 53.202 0.05 1 17 4 4 ASN CB C 38.979 0.05 1 18 4 4 ASN N N 122.701 0.05 1 19 5 5 ALA H H 8.352 0.01 1 20 5 5 ALA C C 177.727 0.05 1 21 5 5 ALA CA C 52.887 0.05 1 22 5 5 ALA CB C 19.194 0.05 1 23 5 5 ALA N N 124.937 0.05 1 24 6 6 GLN H H 8.394 0.01 1 25 6 6 GLN C C 176.458 0.05 1 26 6 6 GLN CA C 56.170 0.05 1 27 6 6 GLN CB C 29.412 0.05 1 28 6 6 GLN N N 118.893 0.05 1 29 7 7 THR H H 8.118 0.01 1 30 7 7 THR C C 175.231 0.05 1 31 7 7 THR CA C 61.965 0.05 1 32 7 7 THR CB C 69.809 0.05 1 33 7 7 THR N N 114.055 0.05 1 34 8 8 GLY H H 8.403 0.01 1 35 8 8 GLY C C 173.267 0.05 1 36 8 8 GLY CA C 45.122 0.05 1 37 8 8 GLY N N 111.350 0.05 1 38 9 9 ALA H H 8.104 0.01 1 39 9 9 ALA C C 175.572 0.05 1 40 9 9 ALA CA C 50.505 0.05 1 41 9 9 ALA CB C 18.515 0.05 1 42 9 9 ALA N N 124.769 0.05 1 43 10 10 PRO C C 176.566 0.05 1 44 10 10 PRO CA C 63.193 0.05 1 45 10 10 PRO CB C 31.993 0.05 1 46 11 11 ASP H H 8.370 0.01 1 47 11 11 ASP C C 176.326 0.05 1 48 11 11 ASP CA C 54.361 0.05 1 49 11 11 ASP CB C 41.195 0.05 1 50 11 11 ASP N N 120.453 0.05 1 51 12 12 ILE H H 8.020 0.01 1 52 12 12 ILE C C 176.168 0.05 1 53 12 12 ILE CA C 61.340 0.05 1 54 12 12 ILE CB C 38.722 0.05 1 55 12 12 ILE N N 120.508 0.05 1 56 13 13 LEU H H 8.289 0.01 1 57 13 13 LEU C C 177.627 0.05 1 58 13 13 LEU CA C 55.454 0.05 1 59 13 13 LEU CB C 42.155 0.05 1 60 13 13 LEU N N 124.905 0.05 1 61 14 14 THR H H 8.072 0.01 1 62 14 14 THR C C 174.647 0.05 1 63 14 14 THR CA C 62.062 0.05 1 64 14 14 THR CB C 69.757 0.05 1 65 14 14 THR N N 114.373 0.05 1 66 15 15 SER H H 8.224 0.01 1 67 15 15 SER C C 174.584 0.05 1 68 15 15 SER CA C 58.395 0.05 1 69 15 15 SER CB C 63.799 0.05 1 70 15 15 SER N N 117.692 0.05 1 71 16 16 LEU H H 8.233 0.01 1 72 16 16 LEU C C 177.067 0.05 1 73 16 16 LEU CA C 55.474 0.05 1 74 16 16 LEU CB C 42.323 0.05 1 75 16 16 LEU N N 123.880 0.05 1 76 17 17 ASP H H 8.208 0.01 1 77 17 17 ASP C C 176.400 0.05 1 78 17 17 ASP CA C 54.363 0.05 1 79 17 17 ASP CB C 41.298 0.05 1 80 17 17 ASP N N 120.720 0.05 1 81 18 18 GLU H H 8.334 0.01 1 82 18 18 GLU C C 176.702 0.05 1 83 18 18 GLU CA C 57.108 0.05 1 84 18 18 GLU CB C 30.119 0.05 1 85 18 18 GLU N N 121.473 0.05 1 86 19 19 LYS H H 8.283 0.01 1 87 19 19 LYS C C 176.725 0.05 1 88 19 19 LYS CA C 56.427 0.05 1 89 19 19 LYS CB C 32.757 0.05 1 90 19 19 LYS N N 121.068 0.05 1 91 20 20 SER H H 8.161 0.01 1 92 20 20 SER C C 174.346 0.05 1 93 20 20 SER CA C 58.506 0.05 1 94 20 20 SER CB C 63.891 0.05 1 95 20 20 SER N N 116.343 0.05 1 96 21 21 VAL H H 8.072 0.01 1 97 21 21 VAL C C 175.499 0.05 1 98 21 21 VAL CA C 62.105 0.05 1 99 21 21 VAL CB C 32.868 0.05 1 100 21 21 VAL N N 121.188 0.05 1 101 22 22 SER H H 8.142 0.01 1 102 22 22 SER C C 174.101 0.05 1 103 22 22 SER CA C 57.594 0.05 1 104 22 22 SER CB C 64.248 0.05 1 105 22 22 SER N N 118.904 0.05 1 106 23 23 TYR C C 176.495 0.05 1 107 23 23 TYR CA C 60.208 0.05 1 108 24 24 ASP H H 8.247 0.01 1 109 24 24 ASP C C 172.339 0.05 1 110 24 24 ASP CA C 53.140 0.05 1 111 24 24 ASP CB C 43.550 0.05 1 112 24 24 ASP N N 128.102 0.05 1 113 25 25 THR H H 8.819 0.01 1 114 25 25 THR CA C 63.303 0.05 1 115 25 25 THR N N 126.236 0.05 1 116 27 27 MET C C 171.670 0.05 1 117 27 27 MET CA C 53.039 0.05 1 118 28 28 ASP H H 8.369 0.01 1 119 28 28 ASP C C 175.002 0.05 1 120 28 28 ASP CA C 57.282 0.05 1 121 28 28 ASP CB C 38.156 0.05 1 122 28 28 ASP N N 118.215 0.05 1 123 29 29 LYS H H 8.626 0.01 1 124 29 29 LYS C C 174.504 0.05 1 125 29 29 LYS CA C 56.823 0.05 1 126 29 29 LYS CB C 35.337 0.05 1 127 29 29 LYS N N 121.804 0.05 1 128 30 30 TYR H H 9.399 0.01 1 129 30 30 TYR C C 176.171 0.05 1 130 30 30 TYR CA C 60.204 0.05 1 131 30 30 TYR CB C 41.647 0.05 1 132 30 30 TYR N N 119.750 0.05 1 133 31 31 TRP H H 10.260 0.01 1 134 31 31 TRP C C 176.460 0.05 1 135 31 31 TRP CA C 49.965 0.05 1 136 31 31 TRP N N 132.398 0.05 1 137 33 33 SER C C 179.351 0.05 1 138 33 33 SER CA C 58.269 0.05 1 139 34 34 GLN H H 8.907 0.01 1 140 34 34 GLN C C 177.024 0.05 1 141 34 34 GLN CA C 58.700 0.05 1 142 34 34 GLN N N 125.181 0.05 1 143 35 35 TYR H H 9.000 0.01 1 144 35 35 TYR C C 177.024 0.05 1 145 35 35 TYR CA C 60.422 0.05 1 146 35 35 TYR CB C 39.230 0.05 1 147 35 35 TYR N N 121.038 0.05 1 148 36 36 VAL C C 177.134 0.05 1 149 36 36 VAL CA C 66.854 0.05 1 150 37 37 ILE H H 7.934 0.01 1 151 37 37 ILE C C 178.474 0.05 1 152 37 37 ILE CA C 66.414 0.05 1 153 37 37 ILE CB C 37.577 0.05 1 154 37 37 ILE N N 117.124 0.05 1 155 38 38 ALA H H 7.644 0.01 1 156 38 38 ALA C C 176.850 0.05 1 157 38 38 ALA CA C 55.335 0.05 1 158 38 38 ALA CB C 17.962 0.05 1 159 38 38 ALA N N 121.680 0.05 1 160 39 39 ARG H H 7.957 0.01 1 161 39 39 ARG C C 177.512 0.05 1 162 39 39 ARG CA C 58.336 0.05 1 163 39 39 ARG CB C 30.317 0.05 1 164 39 39 ARG N N 113.361 0.05 1 165 40 40 GLU H H 7.979 0.01 1 166 40 40 GLU C C 176.922 0.05 1 167 40 40 GLU CA C 55.259 0.05 1 168 40 40 GLU CB C 29.248 0.05 1 169 40 40 GLU N N 113.148 0.05 1 170 41 41 THR H H 6.958 0.01 1 171 41 41 THR C C 174.916 0.05 1 172 41 41 THR CA C 64.708 0.05 1 173 41 41 THR CB C 70.040 0.05 1 174 41 41 THR N N 117.898 0.05 1 175 42 42 TYR H H 8.930 0.01 1 176 42 42 TYR C C 172.838 0.05 1 177 42 42 TYR CA C 60.009 0.05 1 178 42 42 TYR N N 126.659 0.05 1 179 43 43 ASP H H 8.179 0.01 1 180 43 43 ASP C C 176.089 0.05 1 181 43 43 ASP CA C 53.275 0.05 1 182 43 43 ASP CB C 42.168 0.05 1 183 43 43 ASP N N 129.134 0.05 1 184 44 44 TRP H H 9.750 0.01 1 185 44 44 TRP C C 176.948 0.05 1 186 44 44 TRP CA C 60.848 0.05 1 187 44 44 TRP N N 128.158 0.05 1 188 45 45 TYR H H 8.427 0.01 1 189 45 45 TYR C C 177.496 0.05 1 190 45 45 TYR CA C 60.837 0.05 1 191 45 45 TYR N N 112.394 0.05 1 192 46 46 THR H H 7.712 0.01 1 193 46 46 THR C C 174.585 0.05 1 194 46 46 THR CA C 61.913 0.05 1 195 46 46 THR CB C 68.599 0.05 1 196 46 46 THR N N 108.834 0.05 1 197 47 47 LEU H H 7.422 0.01 1 198 47 47 LEU C C 177.140 0.05 1 199 47 47 LEU CA C 58.402 0.05 1 200 47 47 LEU CB C 42.566 0.05 1 201 47 47 LEU N N 125.573 0.05 1 202 48 48 GLN H H 8.449 0.01 1 203 48 48 GLN C C 177.460 0.05 1 204 48 48 GLN CA C 60.156 0.05 1 205 48 48 GLN CB C 27.867 0.05 1 206 48 48 GLN N N 115.735 0.05 1 207 49 49 LYS H H 8.077 0.01 1 208 49 49 LYS C C 177.849 0.05 1 209 49 49 LYS CA C 56.168 0.05 1 210 49 49 LYS N N 115.742 0.05 1 211 50 50 ASP H H 8.623 0.01 1 212 50 50 ASP C C 176.740 0.05 1 213 50 50 ASP CA C 57.358 0.05 1 214 50 50 ASP CB C 38.479 0.05 1 215 50 50 ASP N N 118.832 0.05 1 216 51 51 TYR H H 9.102 0.01 1 217 51 51 TYR C C 179.735 0.05 1 218 51 51 TYR CA C 60.414 0.05 1 219 51 51 TYR N N 122.784 0.05 1 220 52 52 GLU H H 8.036 0.01 1 221 52 52 GLU C C 179.612 0.05 1 222 52 52 GLU CA C 59.183 0.05 1 223 52 52 GLU CB C 29.561 0.05 1 224 52 52 GLU N N 119.891 0.05 1 225 53 53 THR H H 8.492 0.01 1 226 53 53 THR C C 175.593 0.05 1 227 53 53 THR CA C 67.531 0.05 1 228 53 53 THR N N 119.388 0.05 1 229 54 54 VAL H H 8.248 0.01 1 230 54 54 VAL C C 180.887 0.05 1 231 54 54 VAL CA C 67.571 0.05 1 232 54 54 VAL CB C 30.915 0.05 1 233 54 54 VAL N N 120.292 0.05 1 234 55 55 GLY H H 7.971 0.01 1 235 55 55 GLY C C 176.346 0.05 1 236 55 55 GLY CA C 47.793 0.05 1 237 55 55 GLY N N 108.335 0.05 1 238 56 56 MET H H 8.004 0.01 1 239 56 56 MET C C 177.717 0.05 1 240 56 56 MET CA C 57.975 0.05 1 241 56 56 MET CB C 32.850 0.05 1 242 56 56 MET N N 118.659 0.05 1 243 57 57 LEU H H 7.659 0.01 1 244 57 57 LEU C C 175.144 0.05 1 245 57 57 LEU CA C 54.846 0.05 1 246 57 57 LEU CB C 43.369 0.05 1 247 57 57 LEU N N 117.086 0.05 1 248 58 58 SER H H 7.110 0.01 1 249 58 58 SER C C 173.556 0.05 1 250 58 58 SER CA C 58.603 0.05 1 251 58 58 SER CB C 66.374 0.05 1 252 58 58 SER N N 112.948 0.05 1 253 59 59 SER H H 8.783 0.01 1 254 59 59 SER CA C 57.345 0.05 1 255 59 59 SER N N 119.759 0.05 1 256 61 61 SER C C 177.797 0.05 1 257 61 61 SER CA C 61.702 0.05 1 258 62 62 GLU H H 7.665 0.01 1 259 62 62 GLU C C 178.735 0.05 1 260 62 62 GLU CA C 58.493 0.05 1 261 62 62 GLU N N 124.403 0.05 1 262 63 63 GLY H H 8.972 0.01 1 263 63 63 GLY C C 176.796 0.05 1 264 63 63 GLY CA C 47.125 0.05 1 265 63 63 GLY N N 108.000 0.05 1 266 64 64 GLN H H 7.991 0.01 1 267 64 64 GLN C C 178.550 0.05 1 268 64 64 GLN CA C 58.708 0.05 1 269 64 64 GLN CB C 28.192 0.05 1 270 64 64 GLN N N 121.266 0.05 1 271 65 65 SER H H 7.920 0.01 1 272 65 65 SER C C 178.306 0.05 1 273 65 65 SER CA C 61.406 0.05 1 274 65 65 SER N N 116.894 0.05 1 275 66 66 TYR H H 8.180 0.01 1 276 66 66 TYR C C 177.197 0.05 1 277 66 66 TYR CA C 60.816 0.05 1 278 66 66 TYR CB C 38.085 0.05 1 279 66 66 TYR N N 122.560 0.05 1 280 67 67 ALA H H 8.527 0.01 1 281 67 67 ALA C C 180.827 0.05 1 282 67 67 ALA CA C 55.212 0.05 1 283 67 67 ALA CB C 18.387 0.05 1 284 67 67 ALA N N 120.482 0.05 1 285 68 68 SER H H 8.142 0.01 1 286 68 68 SER C C 176.000 0.05 1 287 68 68 SER CA C 61.569 0.05 1 288 68 68 SER CB C 63.006 0.05 1 289 68 68 SER N N 114.249 0.05 1 290 69 69 GLN H H 7.484 0.01 1 291 69 69 GLN C C 175.658 0.05 1 292 69 69 GLN CA C 57.177 0.05 1 293 69 69 GLN CB C 29.331 0.05 1 294 69 69 GLN N N 118.853 0.05 1 295 70 70 PHE H H 7.884 0.01 1 296 70 70 PHE C C 173.678 0.05 1 297 70 70 PHE CA C 58.031 0.05 1 298 70 70 PHE CB C 39.286 0.05 1 299 70 70 PHE N N 116.786 0.05 1 300 71 71 GLN H H 7.277 0.01 1 301 71 71 GLN C C 175.765 0.05 1 302 71 71 GLN CA C 54.337 0.05 1 303 71 71 GLN CB C 31.648 0.05 1 304 71 71 GLN N N 118.179 0.05 1 305 72 72 GLY H H 8.561 0.01 1 306 72 72 GLY CA C 44.937 0.05 1 307 72 72 GLY N N 108.424 0.05 1 308 73 73 ASP C C 177.241 0.05 1 309 73 73 ASP CA C 56.722 0.05 1 310 73 73 ASP CB C 40.547 0.05 1 311 74 74 LYS H H 8.283 0.01 1 312 74 74 LYS C C 175.389 0.05 1 313 74 74 LYS CA C 54.655 0.05 1 314 74 74 LYS CB C 31.173 0.05 1 315 74 74 LYS N N 117.483 0.05 1 316 75 75 ALA H H 6.971 0.01 1 317 75 75 ALA C C 180.063 0.05 1 318 75 75 ALA CA C 52.219 0.05 1 319 75 75 ALA CB C 20.457 0.05 1 320 75 75 ALA N N 122.866 0.05 1 321 76 76 LEU H H 8.244 0.01 1 322 76 76 LEU C C 177.776 0.05 1 323 76 76 LEU CA C 58.301 0.05 1 324 76 76 LEU N N 121.730 0.05 1 325 77 77 ASP H H 9.404 0.01 1 326 77 77 ASP C C 179.269 0.05 1 327 77 77 ASP CA C 55.815 0.05 1 328 77 77 ASP CB C 40.076 0.05 1 329 77 77 ASP N N 113.312 0.05 1 330 78 78 LYS H H 6.980 0.01 1 331 78 78 LYS C C 178.089 0.05 1 332 78 78 LYS CA C 57.624 0.05 1 333 78 78 LYS CB C 32.165 0.05 1 334 78 78 LYS N N 119.576 0.05 1 335 79 79 GLN H H 7.825 0.01 1 336 79 79 GLN C C 177.820 0.05 1 337 79 79 GLN CA C 58.169 0.05 1 338 79 79 GLN CB C 29.572 0.05 1 339 79 79 GLN N N 117.376 0.05 1 340 80 80 TYR H H 8.338 0.01 1 341 80 80 TYR C C 177.403 0.05 1 342 80 80 TYR CA C 56.251 0.05 1 343 80 80 TYR CB C 39.080 0.05 1 344 80 80 TYR N N 116.640 0.05 1 345 81 81 GLY H H 7.795 0.01 1 346 81 81 GLY C C 174.220 0.05 1 347 81 81 GLY CA C 46.623 0.05 1 348 81 81 GLY N N 107.924 0.05 1 349 82 82 SER H H 5.643 0.01 1 350 82 82 SER C C 175.685 0.05 1 351 82 82 SER CA C 57.467 0.05 1 352 82 82 SER CB C 62.921 0.05 1 353 82 82 SER N N 107.889 0.05 1 354 83 83 ASN H H 8.400 0.01 1 355 83 83 ASN C C 174.191 0.05 1 356 83 83 ASN CA C 54.804 0.05 1 357 83 83 ASN CB C 39.715 0.05 1 358 83 83 ASN N N 118.822 0.05 1 359 84 84 VAL H H 7.016 0.01 1 360 84 84 VAL C C 177.197 0.05 1 361 84 84 VAL CA C 60.897 0.05 1 362 84 84 VAL CB C 35.554 0.05 1 363 84 84 VAL N N 118.332 0.05 1 364 85 85 ARG H H 8.631 0.01 1 365 85 85 ARG C C 176.377 0.05 1 366 85 85 ARG CA C 54.968 0.05 1 367 85 85 ARG CB C 34.443 0.05 1 368 85 85 ARG N N 125.330 0.05 1 369 86 86 THR H H 8.237 0.01 1 370 86 86 THR C C 173.705 0.05 1 371 86 86 THR CA C 62.518 0.05 1 372 86 86 THR CB C 70.882 0.05 1 373 86 86 THR N N 116.923 0.05 1 374 87 87 SER H H 9.228 0.01 1 375 87 87 SER C C 173.856 0.05 1 376 87 87 SER CA C 56.007 0.05 1 377 87 87 SER CB C 65.813 0.05 1 378 87 87 SER N N 121.151 0.05 1 379 88 88 VAL H H 9.005 0.01 1 380 88 88 VAL C C 175.480 0.05 1 381 88 88 VAL CA C 61.308 0.05 1 382 88 88 VAL CB C 35.121 0.05 1 383 88 88 VAL N N 123.477 0.05 1 384 89 89 THR H H 8.967 0.01 1 385 89 89 THR C C 173.856 0.05 1 386 89 89 THR CA C 61.379 0.05 1 387 89 89 THR CB C 71.186 0.05 1 388 89 89 THR N N 122.815 0.05 1 389 90 90 ILE H H 9.234 0.01 1 390 90 90 ILE C C 175.385 0.05 1 391 90 90 ILE CA C 60.428 0.05 1 392 90 90 ILE N N 128.003 0.05 1 393 91 91 VAL H H 9.060 0.01 1 394 91 91 VAL C C 176.059 0.05 1 395 91 91 VAL CA C 64.348 0.05 1 396 91 91 VAL N N 128.381 0.05 1 397 92 92 SER H H 7.921 0.01 1 398 92 92 SER C C 172.907 0.05 1 399 92 92 SER CA C 57.880 0.05 1 400 92 92 SER CB C 65.140 0.05 1 401 92 92 SER N N 111.348 0.05 1 402 93 93 ILE H H 8.735 0.01 1 403 93 93 ILE C C 174.576 0.05 1 404 93 93 ILE CA C 61.579 0.05 1 405 93 93 ILE N N 122.226 0.05 1 406 94 94 VAL H H 9.002 0.01 1 407 94 94 VAL C C 174.797 0.05 1 408 94 94 VAL CA C 59.645 0.05 1 409 94 94 VAL CB C 34.673 0.05 1 410 94 94 VAL N N 126.147 0.05 1 411 95 95 PRO C C 176.808 0.05 1 412 95 95 PRO CA C 61.607 0.05 1 413 95 95 PRO CB C 31.956 0.05 1 414 96 96 ASN H H 9.220 0.01 1 415 96 96 ASN C C 176.138 0.05 1 416 96 96 ASN CA C 52.946 0.05 1 417 96 96 ASN CB C 38.809 0.05 1 418 96 96 ASN N N 122.204 0.05 1 419 97 97 GLY H H 8.437 0.01 1 420 97 97 GLY C C 173.700 0.05 1 421 97 97 GLY CA C 45.218 0.05 1 422 97 97 GLY N N 109.468 0.05 1 423 98 98 LYS H H 8.350 0.01 1 424 98 98 LYS C C 176.820 0.05 1 425 98 98 LYS CA C 55.187 0.05 1 426 98 98 LYS CB C 32.819 0.05 1 427 98 98 LYS N N 118.868 0.05 1 428 99 99 GLY H H 8.224 0.01 1 429 99 99 GLY C C 177.421 0.05 1 430 99 99 GLY CA C 45.667 0.05 1 431 99 99 GLY N N 108.863 0.05 1 432 100 100 ILE H H 7.476 0.01 1 433 100 100 ILE C C 176.582 0.05 1 434 100 100 ILE CA C 58.586 0.05 1 435 100 100 ILE CB C 39.357 0.05 1 436 100 100 ILE N N 119.172 0.05 1 437 101 101 GLY H H 10.078 0.01 1 438 101 101 GLY C C 171.118 0.05 1 439 101 101 GLY CA C 44.348 0.05 1 440 101 101 GLY N N 114.855 0.05 1 441 102 102 THR H H 8.093 0.01 1 442 102 102 THR C C 175.220 0.05 1 443 102 102 THR CA C 61.453 0.05 1 444 102 102 THR CB C 70.175 0.05 1 445 102 102 THR N N 118.505 0.05 1 446 103 103 VAL H H 9.775 0.01 1 447 103 103 VAL C C 175.218 0.05 1 448 103 103 VAL CA C 60.597 0.05 1 449 103 103 VAL CB C 30.214 0.05 1 450 103 103 VAL N N 128.547 0.05 1 451 104 104 ARG H H 9.171 0.01 1 452 104 104 ARG C C 176.324 0.05 1 453 104 104 ARG CA C 55.901 0.05 1 454 104 104 ARG N N 129.535 0.05 1 455 105 105 PHE H H 9.126 0.01 1 456 105 105 PHE CA C 55.829 0.05 1 457 105 105 PHE CB C 42.341 0.05 1 458 105 105 PHE N N 121.323 0.05 1 459 106 106 ALA H H 8.313 0.01 1 460 106 106 ALA C C 177.066 0.05 1 461 106 106 ALA CA C 49.619 0.05 1 462 106 106 ALA CB C 21.573 0.05 1 463 106 106 ALA N N 123.479 0.05 1 464 107 107 LYS H H 9.286 0.01 1 465 107 107 LYS C C 175.501 0.05 1 466 107 107 LYS CA C 55.021 0.05 1 467 107 107 LYS CB C 35.845 0.05 1 468 107 107 LYS N N 121.400 0.05 1 469 108 108 THR H H 9.241 0.01 1 470 108 108 THR C C 174.108 0.05 1 471 108 108 THR CA C 61.755 0.05 1 472 108 108 THR CB C 70.657 0.05 1 473 108 108 THR N N 121.736 0.05 1 474 109 109 THR H H 9.169 0.01 1 475 109 109 THR C C 173.441 0.05 1 476 109 109 THR CA C 62.006 0.05 1 477 109 109 THR CB C 70.624 0.05 1 478 109 109 THR N N 126.599 0.05 1 479 110 110 LYS H H 9.111 0.01 1 480 110 110 LYS C C 175.036 0.05 1 481 110 110 LYS CA C 54.832 0.05 1 482 110 110 LYS CB C 36.393 0.05 1 483 110 110 LYS N N 127.962 0.05 1 484 111 111 ARG H H 9.024 0.01 1 485 111 111 ARG C C 178.082 0.05 1 486 111 111 ARG CA C 55.383 0.05 1 487 111 111 ARG CB C 30.965 0.05 1 488 111 111 ARG N N 124.319 0.05 1 489 112 112 THR H H 8.375 0.01 1 490 112 112 THR C C 175.026 0.05 1 491 112 112 THR CA C 64.321 0.05 1 492 112 112 THR CB C 68.749 0.05 1 493 112 112 THR N N 116.259 0.05 1 494 113 113 ASN H H 8.503 0.01 1 495 113 113 ASN C C 174.506 0.05 1 496 113 113 ASN CA C 53.300 0.05 1 497 113 113 ASN CB C 37.578 0.05 1 498 113 113 ASN N N 117.142 0.05 1 499 114 114 GLU H H 7.535 0.01 1 500 114 114 GLU C C 176.484 0.05 1 501 114 114 GLU CA C 55.615 0.05 1 502 114 114 GLU CB C 31.981 0.05 1 503 114 114 GLU N N 119.284 0.05 1 504 115 115 THR H H 9.178 0.01 1 505 115 115 THR C C 175.252 0.05 1 506 115 115 THR CA C 62.022 0.05 1 507 115 115 THR CB C 69.705 0.05 1 508 115 115 THR N N 123.855 0.05 1 509 116 116 GLY H H 8.323 0.01 1 510 116 116 GLY C C 173.795 0.05 1 511 116 116 GLY CA C 44.742 0.05 1 512 116 116 GLY N N 110.989 0.05 1 513 117 117 ASP H H 8.459 0.01 1 514 117 117 ASP C C 177.061 0.05 1 515 117 117 ASP CA C 55.178 0.05 1 516 117 117 ASP CB C 41.911 0.05 1 517 117 117 ASP N N 118.226 0.05 1 518 118 118 GLY H H 8.491 0.01 1 519 118 118 GLY C C 173.114 0.05 1 520 118 118 GLY CA C 44.847 0.05 1 521 118 118 GLY N N 107.626 0.05 1 522 119 119 GLU H H 8.322 0.01 1 523 119 119 GLU C C 176.285 0.05 1 524 119 119 GLU CA C 55.306 0.05 1 525 119 119 GLU CB C 32.504 0.05 1 526 119 119 GLU N N 120.379 0.05 1 527 120 120 THR H H 9.171 0.01 1 528 120 120 THR C C 174.064 0.05 1 529 120 120 THR CA C 62.228 0.05 1 530 120 120 THR CB C 70.288 0.05 1 531 120 120 THR N N 125.886 0.05 1 532 121 121 THR H H 9.210 0.01 1 533 121 121 THR C C 172.638 0.05 1 534 121 121 THR CA C 59.192 0.05 1 535 121 121 THR CB C 71.786 0.05 1 536 121 121 THR N N 118.615 0.05 1 537 122 122 HIS H H 8.120 0.01 1 538 122 122 HIS C C 175.074 0.05 1 539 122 122 HIS CA C 57.192 0.05 1 540 122 122 HIS N N 120.408 0.05 1 541 123 123 TRP H H 10.060 0.01 1 542 123 123 TRP C C 177.458 0.05 1 543 123 123 TRP CA C 58.363 0.05 1 544 123 123 TRP CB C 30.720 0.05 1 545 123 123 TRP N N 128.567 0.05 1 546 124 124 ILE H H 7.404 0.01 1 547 124 124 ILE C C 178.628 0.05 1 548 124 124 ILE CA C 57.329 0.05 1 549 124 124 ILE N N 116.582 0.05 1 550 125 125 ALA C C 176.552 0.05 1 551 125 125 ALA CA C 49.942 0.05 1 552 126 126 THR H H 9.084 0.01 1 553 126 126 THR C C 175.173 0.05 1 554 126 126 THR CA C 63.369 0.05 1 555 126 126 THR CB C 68.960 0.05 1 556 126 126 THR N N 120.822 0.05 1 557 127 127 ILE H H 9.428 0.01 1 558 127 127 ILE C C 174.801 0.05 1 559 127 127 ILE CA C 61.054 0.05 1 560 127 127 ILE N N 129.822 0.05 1 561 128 128 GLY H H 9.171 0.01 1 562 128 128 GLY C C 173.747 0.05 1 563 128 128 GLY CA C 44.165 0.05 1 564 128 128 GLY N N 118.133 0.05 1 565 129 129 TYR H H 8.726 0.01 1 566 129 129 TYR C C 172.402 0.05 1 567 129 129 TYR CA C 55.612 0.05 1 568 129 129 TYR N N 121.622 0.05 1 569 130 130 GLN H H 8.576 0.01 1 570 130 130 GLN C C 173.730 0.05 1 571 130 130 GLN CA C 52.963 0.05 1 572 130 130 GLN N N 116.063 0.05 1 573 131 131 TYR H H 8.037 0.01 1 574 131 131 TYR C C 178.843 0.05 1 575 131 131 TYR CA C 57.332 0.05 1 576 131 131 TYR N N 117.598 0.05 1 577 132 132 VAL H H 7.194 0.01 1 578 132 132 VAL C C 175.849 0.05 1 579 132 132 VAL CA C 62.868 0.05 1 580 132 132 VAL CB C 34.345 0.05 1 581 132 132 VAL N N 108.375 0.05 1 582 133 133 ASN H H 8.420 0.01 1 583 133 133 ASN CA C 55.009 0.05 1 584 133 133 ASN CB C 41.324 0.05 1 585 133 133 ASN N N 122.563 0.05 1 586 134 134 PRO C C 178.328 0.05 1 587 134 134 PRO CA C 64.464 0.05 1 588 135 135 SER H H 8.231 0.01 1 589 135 135 SER C C 175.090 0.05 1 590 135 135 SER CA C 60.920 0.05 1 591 135 135 SER N N 113.094 0.05 1 592 136 136 LEU H H 7.870 0.01 1 593 136 136 LEU C C 177.516 0.05 1 594 136 136 LEU CA C 54.910 0.05 1 595 136 136 LEU CB C 41.597 0.05 1 596 136 136 LEU N N 119.842 0.05 1 597 137 137 MET H H 7.397 0.01 1 598 137 137 MET C C 175.775 0.05 1 599 137 137 MET CA C 54.945 0.05 1 600 137 137 MET CB C 35.507 0.05 1 601 137 137 MET N N 118.512 0.05 1 602 138 138 SER H H 8.495 0.01 1 603 138 138 SER C C 174.714 0.05 1 604 138 138 SER CA C 57.716 0.05 1 605 138 138 SER CB C 64.515 0.05 1 606 138 138 SER N N 116.802 0.05 1 607 139 139 GLU H H 8.916 0.01 1 608 139 139 GLU C C 178.983 0.05 1 609 139 139 GLU CA C 60.089 0.05 1 610 139 139 GLU CB C 29.448 0.05 1 611 139 139 GLU N N 121.837 0.05 1 612 140 140 SER H H 8.358 0.01 1 613 140 140 SER C C 176.863 0.05 1 614 140 140 SER CA C 61.052 0.05 1 615 140 140 SER N N 112.442 0.05 1 616 141 141 ALA H H 7.765 0.01 1 617 141 141 ALA C C 179.407 0.05 1 618 141 141 ALA CA C 54.635 0.05 1 619 141 141 ALA CB C 19.247 0.05 1 620 141 141 ALA N N 125.710 0.05 1 621 142 142 ARG H H 8.017 0.01 1 622 142 142 ARG C C 178.590 0.05 1 623 142 142 ARG CA C 58.610 0.05 1 624 142 142 ARG CB C 30.832 0.05 1 625 142 142 ARG N N 117.039 0.05 1 626 143 143 LEU H H 8.478 0.01 1 627 143 143 LEU C C 177.876 0.05 1 628 143 143 LEU CA C 58.356 0.05 1 629 143 143 LEU N N 119.515 0.05 1 630 144 144 THR H H 7.582 0.01 1 631 144 144 THR C C 174.341 0.05 1 632 144 144 THR CA C 61.861 0.05 1 633 144 144 THR CB C 69.749 0.05 1 634 144 144 THR N N 112.083 0.05 1 635 145 145 ASN H H 8.366 0.01 1 636 145 145 ASN CA C 52.585 0.05 1 637 145 145 ASN N N 126.962 0.05 1 638 147 147 LEU H H 8.421 0.01 1 639 147 147 LEU C C 177.578 0.05 1 640 147 147 LEU CA C 53.777 0.05 1 641 147 147 LEU N N 114.689 0.05 1 642 148 148 GLY H H 7.498 0.01 1 643 148 148 GLY C C 175.328 0.05 1 644 148 148 GLY CA C 46.798 0.05 1 645 148 148 GLY N N 106.046 0.05 1 646 149 149 PHE H H 7.694 0.01 1 647 149 149 PHE CA C 60.230 0.05 1 648 149 149 PHE CB C 38.077 0.05 1 649 149 149 PHE N N 121.747 0.05 1 650 152 152 THR H H 8.738 0.01 1 651 152 152 THR C C 175.675 0.05 1 652 152 152 THR CA C 61.148 0.05 1 653 152 152 THR N N 117.691 0.05 1 654 153 153 SER H H 7.865 0.01 1 655 153 153 SER C C 172.252 0.05 1 656 153 153 SER CA C 58.666 0.05 1 657 153 153 SER CB C 64.495 0.05 1 658 153 153 SER N N 116.293 0.05 1 659 154 154 TYR H H 8.448 0.01 1 660 154 154 TYR C C 172.887 0.05 1 661 154 154 TYR CA C 59.070 0.05 1 662 154 154 TYR CB C 42.303 0.05 1 663 154 154 TYR N N 126.465 0.05 1 664 155 155 ARG H H 7.784 0.01 1 665 155 155 ARG C C 173.316 0.05 1 666 155 155 ARG CA C 54.595 0.05 1 667 155 155 ARG CB C 33.171 0.05 1 668 155 155 ARG N N 127.915 0.05 1 669 156 156 VAL H H 8.554 0.01 1 670 156 156 VAL C C 174.367 0.05 1 671 156 156 VAL CA C 60.757 0.05 1 672 156 156 VAL CB C 34.639 0.05 1 673 156 156 VAL N N 121.819 0.05 1 674 157 157 ASP H H 9.028 0.01 1 675 157 157 ASP C C 172.664 0.05 1 676 157 157 ASP CA C 51.758 0.05 1 677 157 157 ASP N N 125.642 0.05 1 678 158 158 PRO C C 176.096 0.05 1 679 158 158 PRO CA C 62.697 0.05 1 680 158 158 PRO CB C 31.819 0.05 1 681 159 159 GLU H H 7.540 0.01 1 682 159 159 GLU C C 175.763 0.05 1 683 159 159 GLU CA C 56.161 0.05 1 684 159 159 GLU CB C 30.711 0.05 1 685 159 159 GLU N N 122.081 0.05 1 686 160 160 MET H H 8.423 0.01 1 687 160 160 MET C C 176.565 0.05 1 688 160 160 MET CA C 55.004 0.05 1 689 160 160 MET CB C 32.937 0.05 1 690 160 160 MET N N 123.769 0.05 1 691 161 161 GLY H H 8.492 0.01 1 692 161 161 GLY C C 173.634 0.05 1 693 161 161 GLY N N 110.112 0.05 1 694 162 162 VAL H H 7.864 0.01 1 695 162 162 VAL C C 176.092 0.05 1 696 162 162 VAL CA C 62.289 0.05 1 697 162 162 VAL CB C 32.691 0.05 1 698 162 162 VAL N N 119.450 0.05 1 699 163 163 VAL H H 8.190 0.01 1 700 163 163 VAL C C 175.197 0.05 1 701 163 163 VAL CA C 62.342 0.05 1 702 163 163 VAL CB C 32.656 0.05 1 703 163 163 VAL N N 125.308 0.05 1 704 164 164 GLN H H 7.966 0.01 1 705 164 164 GLN C C 180.325 0.05 1 706 164 164 GLN CA C 57.319 0.05 1 707 164 164 GLN CB C 30.597 0.05 1 708 164 164 GLN N N 129.592 0.05 1 stop_ save_