data_27539 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Influenza A virus non-structural protein 1 (NS1) effector domain ; _BMRB_accession_number 27539 _BMRB_flat_file_name bmr27539.str _Entry_type original _Submission_date 2018-07-11 _Accession_date 2018-07-11 _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 Kleinpeter Alex B. . 2 Petit Chad M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 "13C chemical shifts" 185 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27541 'Influenza A virus (2013 H7N9 strain) non-structural protein 1 effector domain' stop_ _Original_release_date 2018-07-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural analyses reveal the mechanism of inhibition of influenza virus NS1 by two antiviral compounds ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30076219 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kleinpeter Alex B. . 2 Jureka Alex S. . 3 Fallahat Sally . . 4 Green Todd J. . 5 Petit Chad M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14659 _Page_last 14668 _Year 2018 _Details . loop_ _Keyword JJ3297 NS1 'effector domain' influenza inhibitor stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS1 effctor domain monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS1 Effector Domain' $NS1_Effector_Domain 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_NS1_Effector_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS1_Effector_Domain _Molecular_mass . _Mol_thiol_state 'all free' _Details 'Non-structural protein 1 effector domain from the A/Brevig Mission/1918/1/H1N1 strain of Influenza A virus.' ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; ASRYLTDMTLEEMSRDWFML MPKQKVAGSLCIRMDQAIMD KNIILKANFSVIFDRLETLI LLRAFTEEGAIVGEISPLPS LPGHTDEDVKNAVGVLIGGL EANDNTVRVSETLQRFAWRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 86 ALA 2 87 SER 3 88 ARG 4 89 TYR 5 90 LEU 6 91 THR 7 92 ASP 8 93 MET 9 94 THR 10 95 LEU 11 96 GLU 12 97 GLU 13 98 MET 14 99 SER 15 100 ARG 16 101 ASP 17 102 TRP 18 103 PHE 19 104 MET 20 105 LEU 21 106 MET 22 107 PRO 23 108 LYS 24 109 GLN 25 110 LYS 26 111 VAL 27 112 ALA 28 113 GLY 29 114 SER 30 115 LEU 31 116 CYS 32 117 ILE 33 118 ARG 34 119 MET 35 120 ASP 36 121 GLN 37 122 ALA 38 123 ILE 39 124 MET 40 125 ASP 41 126 LYS 42 127 ASN 43 128 ILE 44 129 ILE 45 130 LEU 46 131 LYS 47 132 ALA 48 133 ASN 49 134 PHE 50 135 SER 51 136 VAL 52 137 ILE 53 138 PHE 54 139 ASP 55 140 ARG 56 141 LEU 57 142 GLU 58 143 THR 59 144 LEU 60 145 ILE 61 146 LEU 62 147 LEU 63 148 ARG 64 149 ALA 65 150 PHE 66 151 THR 67 152 GLU 68 153 GLU 69 154 GLY 70 155 ALA 71 156 ILE 72 157 VAL 73 158 GLY 74 159 GLU 75 160 ILE 76 161 SER 77 162 PRO 78 163 LEU 79 164 PRO 80 165 SER 81 166 LEU 82 167 PRO 83 168 GLY 84 169 HIS 85 170 THR 86 171 ASP 87 172 GLU 88 173 ASP 89 174 VAL 90 175 LYS 91 176 ASN 92 177 ALA 93 178 VAL 94 179 GLY 95 180 VAL 96 181 LEU 97 182 ILE 98 183 GLY 99 184 GLY 100 185 LEU 101 186 GLU 102 187 ALA 103 188 ASN 104 189 ASP 105 190 ASN 106 191 THR 107 192 VAL 108 193 ARG 109 194 VAL 110 195 SER 111 196 GLU 112 197 THR 113 198 LEU 114 199 GLN 115 200 ARG 116 201 PHE 117 202 ALA 118 203 TRP 119 204 ARG 120 205 SER 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 _Strain _Gene_mnemonic $NS1_Effector_Domain 'Influenza A virus' 11320 Viruses . Alphainfluenzavirus 'Influenza A virus' 'A/Brevig Mission/1918/1/H1N1' NS1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $NS1_Effector_Domain 'recombinant technology' . Escherichia coli BL21 DE3 pET-SUMO 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NS1_Effector_Domain 0.6 mM 0.4 0.8 '[U-99% 13C; U-99% 15N]' NaCl 100 mM . . 'natural abundance' NaPO4 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' 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 'NS1 Effector Domain' _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 88 3 ARG H H 8.444 0.000 1 2 88 3 ARG CA C 54.726 0.0 1 3 88 3 ARG CB C 31.549 0.0 1 4 88 3 ARG N N 122.161 0.0 1 5 89 4 TYR H H 8.480 0.000 1 6 89 4 TYR CA C 56.914 0.0 1 7 89 4 TYR CB C 39.005 0.0 1 8 89 4 TYR N N 120.844 0.0 1 9 90 5 LEU H H 8.835 0.000 1 10 90 5 LEU CA C 53.249 0.0 1 11 90 5 LEU CB C 40.878 0.0 1 12 90 5 LEU N N 127.983 0.0 1 13 92 7 ASP H H 8.493 0.000 1 14 92 7 ASP CA C 55.322 0.0 1 15 92 7 ASP CB C 42.677 0.0 1 16 92 7 ASP N N 124.337 0.0 1 17 93 8 MET H H 8.799 0.000 1 18 93 8 MET CA C 54.709 0.0 1 19 93 8 MET CB C 36.503 0.0 1 20 93 8 MET N N 116.527 0.0 1 21 94 9 THR H H 8.912 0.000 1 22 94 9 THR CA C 60.319 0.0 1 23 94 9 THR CB C 70.768 0.0 1 24 94 9 THR N N 113.041 0.0 1 25 95 10 LEU H H 8.617 0.000 1 26 95 10 LEU CA C 58.291 0.0 1 27 95 10 LEU CB C 40.301 0.0 1 28 95 10 LEU N N 120.861 0.0 1 29 96 11 GLU H H 8.444 0.000 1 30 96 11 GLU CA C 59.831 0.0 1 31 96 11 GLU CB C 27.984 0.0 1 32 96 11 GLU N N 120.269 0.0 1 33 97 12 GLU H H 7.682 0.000 1 34 97 12 GLU CA C 59.351 0.0 1 35 97 12 GLU CB C 30.037 0.0 1 36 97 12 GLU N N 119.250 0.0 1 37 98 13 MET H H 7.862 0.000 1 38 98 13 MET CA C 57.907 0.0 1 39 98 13 MET CB C 33.517 0.0 1 40 98 13 MET N N 113.673 0.0 1 41 99 14 SER H H 7.584 0.000 1 42 99 14 SER CA C 58.426 0.0 1 43 99 14 SER CB C 64.635 0.0 1 44 99 14 SER N N 110.285 0.0 1 45 100 15 ARG H H 7.406 0.000 1 46 100 15 ARG CA C 57.161 0.0 1 47 100 15 ARG CB C 30.491 0.0 1 48 100 15 ARG N N 124.624 0.0 1 49 101 16 ASP H H 8.634 0.000 1 50 101 16 ASP CA C 54.201 0.0 1 51 101 16 ASP CB C 41.525 0.0 1 52 101 16 ASP N N 124.219 0.0 1 53 102 17 TRP H H 8.224 0.000 1 54 102 17 TRP CA C 55.502 0.0 1 55 102 17 TRP CB C 30.365 0.0 1 56 102 17 TRP N N 118.578 0.0 1 57 103 18 PHE H H 8.496 0.000 1 58 103 18 PHE CA C 55.786 0.0 1 59 103 18 PHE CB C 41.445 0.0 1 60 103 18 PHE N N 119.260 0.0 1 61 104 19 MET H H 8.110 0.000 1 62 104 19 MET CA C 53.748 0.0 1 63 104 19 MET CB C 35.203 0.0 1 64 104 19 MET N N 119.807 0.0 1 65 105 20 LEU H H 9.553 0.000 1 66 105 20 LEU CA C 57.079 0.0 1 67 105 20 LEU CB C 41.182 0.0 1 68 105 20 LEU N N 126.924 0.0 1 69 106 21 MET H H 8.858 0.000 1 70 106 21 MET CA C 52.220 0.0 1 71 106 21 MET CB C 33.839 0.0 1 72 106 21 MET N N 119.015 0.0 1 73 108 23 LYS H H 8.339 0.000 1 74 108 23 LYS CA C 55.455 0.0 1 75 108 23 LYS N N 123.477 0.0 1 76 109 24 GLN H H 8.721 0.000 1 77 109 24 GLN CA C 54.020 0.0 1 78 109 24 GLN CB C 31.724 0.0 1 79 109 24 GLN N N 125.561 0.0 1 80 110 25 LYS H H 9.317 0.000 1 81 110 25 LYS CA C 54.339 0.0 1 82 110 25 LYS CB C 36.184 0.0 1 83 110 25 LYS N N 125.415 0.0 1 84 111 26 VAL H H 8.558 0.000 1 85 111 26 VAL CA C 61.209 0.0 1 86 111 26 VAL CB C 32.846 0.0 1 87 111 26 VAL N N 122.557 0.0 1 88 112 27 ALA H H 8.785 0.000 1 89 112 27 ALA CA C 50.714 0.0 1 90 112 27 ALA CB C 19.279 0.0 1 91 112 27 ALA N N 131.194 0.0 1 92 113 28 GLY H H 8.817 0.000 1 93 113 28 GLY CA C 47.296 0.0 1 94 113 28 GLY N N 114.422 0.0 1 95 115 30 LEU H H 7.929 0.000 1 96 115 30 LEU CA C 53.171 0.0 1 97 115 30 LEU CB C 43.188 0.0 1 98 115 30 LEU N N 120.079 0.0 1 99 116 31 CYS H H 9.118 0.000 1 100 116 31 CYS CA C 57.410 0.0 1 101 116 31 CYS CB C 27.793 0.0 1 102 116 31 CYS N N 121.230 0.0 1 103 117 32 ILE H H 9.419 0.000 1 104 117 32 ILE CA C 60.937 0.0 1 105 117 32 ILE CB C 39.508 0.0 1 106 117 32 ILE N N 130.122 0.0 1 107 118 33 ARG H H 9.390 0.000 1 108 118 33 ARG CA C 54.213 0.0 1 109 118 33 ARG CB C 33.829 0.0 1 110 118 33 ARG N N 125.882 0.0 1 111 119 34 MET H H 8.759 0.000 1 112 119 34 MET CA C 54.722 0.0 1 113 119 34 MET CB C 35.460 0.0 1 114 119 34 MET N N 116.714 0.0 1 115 120 35 ASP H H 8.071 0.000 1 116 120 35 ASP CA C 52.764 0.0 1 117 120 35 ASP CB C 41.730 0.0 1 118 120 35 ASP N N 119.172 0.0 1 119 121 36 GLN H H 9.276 0.000 1 120 121 36 GLN CA C 56.697 0.0 1 121 121 36 GLN CB C 28.733 0.0 1 122 121 36 GLN N N 126.220 0.0 1 123 122 37 ALA H H 8.545 0.000 1 124 122 37 ALA CA C 52.537 0.0 1 125 122 37 ALA CB C 19.737 0.0 1 126 122 37 ALA N N 119.426 0.0 1 127 123 38 ILE H H 6.714 0.000 1 128 123 38 ILE CA C 58.502 0.0 1 129 123 38 ILE CB C 35.257 0.0 1 130 123 38 ILE N N 116.982 0.0 1 131 124 39 MET H H 8.452 0.000 1 132 124 39 MET CA C 54.586 0.0 1 133 124 39 MET CB C 36.472 0.0 1 134 124 39 MET N N 127.786 0.0 1 135 125 40 ASP H H 6.824 0.000 1 136 125 40 ASP CA C 55.541 0.0 1 137 125 40 ASP CB C 39.256 0.0 1 138 125 40 ASP N N 113.424 0.0 1 139 126 41 LYS H H 9.392 0.000 1 140 126 41 LYS CA C 53.505 0.0 1 141 126 41 LYS CB C 33.667 0.0 1 142 126 41 LYS N N 117.836 0.0 1 143 127 42 ASN H H 8.587 0.000 1 144 127 42 ASN CA C 52.617 0.0 1 145 127 42 ASN CB C 38.752 0.0 1 146 127 42 ASN N N 119.458 0.0 1 147 128 43 ILE H H 9.084 0.000 1 148 128 43 ILE CA C 58.455 0.0 1 149 128 43 ILE CB C 40.234 0.0 1 150 128 43 ILE N N 125.252 0.0 1 151 129 44 ILE H H 9.427 0.000 1 152 129 44 ILE CA C 57.450 0.0 1 153 129 44 ILE CB C 41.182 0.0 1 154 129 44 ILE N N 126.808 0.0 1 155 130 45 LEU H H 8.571 0.000 1 156 130 45 LEU CA C 53.620 0.0 1 157 130 45 LEU CB C 40.971 0.0 1 158 130 45 LEU N N 125.242 0.0 1 159 131 46 LYS H H 8.912 0.000 1 160 131 46 LYS CA C 55.004 0.0 1 161 131 46 LYS CB C 36.587 0.0 1 162 131 46 LYS N N 120.569 0.0 1 163 132 47 ALA H H 10.457 0.000 1 164 132 47 ALA CA C 51.241 0.0 1 165 132 47 ALA CB C 24.654 0.0 1 166 132 47 ALA N N 123.207 0.0 1 167 133 48 ASN H H 8.742 0.000 1 168 133 48 ASN CA C 51.153 0.0 1 169 133 48 ASN CB C 38.572 0.0 1 170 133 48 ASN N N 117.777 0.0 1 171 134 49 PHE H H 9.067 0.000 1 172 134 49 PHE CA C 56.103 0.0 1 173 134 49 PHE CB C 40.382 0.0 1 174 134 49 PHE N N 121.000 0.0 1 175 135 50 SER H H 9.573 0.000 1 176 135 50 SER CA C 56.079 0.0 1 177 135 50 SER CB C 66.225 0.0 1 178 135 50 SER N N 115.031 0.0 1 179 136 51 VAL H H 8.677 0.000 1 180 136 51 VAL CA C 59.985 0.0 1 181 136 51 VAL CB C 35.107 0.0 1 182 136 51 VAL N N 118.557 0.0 1 183 137 52 ILE H H 8.740 0.000 1 184 137 52 ILE CA C 59.789 0.0 1 185 137 52 ILE CB C 39.876 0.0 1 186 137 52 ILE N N 123.241 0.0 1 187 138 53 PHE H H 8.740 0.000 1 188 138 53 PHE CA C 59.486 0.0 1 189 138 53 PHE CB C 36.166 0.0 1 190 138 53 PHE N N 124.068 0.0 1 191 147 62 LEU H H 8.368 0.000 1 192 147 62 LEU CA C 53.944 0.0 1 193 147 62 LEU CB C 45.546 0.0 1 194 147 62 LEU N N 127.283 0.0 1 195 148 63 ARG H H 9.470 0.000 1 196 148 63 ARG CA C 55.359 0.0 1 197 148 63 ARG CB C 36.069 0.0 1 198 148 63 ARG N N 125.065 0.0 1 199 149 64 ALA H H 7.750 0.000 1 200 149 64 ALA CA C 48.839 0.0 1 201 149 64 ALA CB C 19.684 0.0 1 202 149 64 ALA N N 123.860 0.0 1 203 150 65 PHE H H 9.179 0.000 1 204 150 65 PHE CA C 55.750 0.0 1 205 150 65 PHE CB C 42.311 0.0 1 206 150 65 PHE N N 121.643 0.0 1 207 151 66 THR H H 9.440 0.000 1 208 151 66 THR CA C 60.546 0.0 1 209 151 66 THR CB C 70.920 0.0 1 210 151 66 THR N N 111.529 0.0 1 211 152 67 GLU H H 9.203 0.000 1 212 152 67 GLU CA C 59.184 0.0 1 213 152 67 GLU CB C 28.821 0.0 1 214 152 67 GLU N N 122.694 0.0 1 215 153 68 GLU H H 8.128 0.000 1 216 153 68 GLU CA C 56.995 0.0 1 217 153 68 GLU N N 115.595 0.0 1 218 154 69 GLY H H 8.146 0.000 1 219 154 69 GLY CA C 44.873 0.0 1 220 154 69 GLY N N 107.829 0.0 1 221 155 70 ALA H H 7.400 0.000 1 222 155 70 ALA CA C 51.407 0.0 1 223 155 70 ALA CB C 18.691 0.0 1 224 155 70 ALA N N 122.701 0.0 1 225 156 71 ILE H H 8.180 0.000 1 226 156 71 ILE CA C 60.849 0.0 1 227 156 71 ILE CB C 37.150 0.0 1 228 156 71 ILE N N 122.569 0.0 1 229 157 72 VAL H H 8.143 0.000 1 230 157 72 VAL CA C 59.732 0.0 1 231 157 72 VAL CB C 33.020 0.0 1 232 157 72 VAL N N 114.529 0.0 1 233 158 73 GLY H H 6.706 0.000 1 234 158 73 GLY CA C 45.100 0.0 1 235 158 73 GLY N N 105.711 0.0 1 236 159 74 GLU H H 9.439 0.000 1 237 159 74 GLU CA C 55.398 0.0 1 238 159 74 GLU N N 120.776 0.0 1 239 160 75 ILE H H 9.067 0.000 1 240 160 75 ILE CA C 60.401 0.0 1 241 160 75 ILE CB C 40.113 0.0 1 242 160 75 ILE N N 123.943 0.0 1 243 161 76 SER H H 8.954 0.000 1 244 161 76 SER CA C 53.963 0.0 1 245 161 76 SER CB C 65.293 0.0 1 246 161 76 SER N N 119.395 0.0 1 247 165 80 SER H H 7.637 0.000 1 248 165 80 SER CA C 57.063 0.0 1 249 165 80 SER CB C 64.787 0.0 1 250 165 80 SER N N 115.616 0.0 1 251 166 81 LEU H H 8.263 0.000 1 252 166 81 LEU CA C 52.295 0.0 1 253 166 81 LEU CB C 41.517 0.0 1 254 166 81 LEU N N 122.328 0.0 1 255 168 83 GLY H H 8.332 0.000 1 256 168 83 GLY CA C 45.403 0.0 1 257 168 83 GLY N N 107.384 0.0 1 258 169 84 HIS H H 7.745 0.000 1 259 169 84 HIS CA C 55.246 0.0 1 260 169 84 HIS CB C 29.881 0.0 1 261 169 84 HIS N N 118.328 0.0 1 262 170 85 THR H H 9.251 0.000 1 263 170 85 THR CA C 59.833 0.0 1 264 170 85 THR CB C 72.414 0.0 1 265 170 85 THR N N 110.940 0.0 1 266 171 86 ASP H H 9.170 0.000 1 267 171 86 ASP CA C 57.161 0.0 1 268 171 86 ASP CB C 39.076 0.0 1 269 171 86 ASP N N 119.879 0.0 1 270 172 87 GLU H H 7.992 0.000 1 271 172 87 GLU CA C 58.777 0.0 1 272 172 87 GLU CB C 28.956 0.0 1 273 172 87 GLU N N 121.932 0.0 1 274 173 88 ASP H H 7.629 0.000 1 275 173 88 ASP CA C 57.291 0.0 1 276 173 88 ASP CB C 40.891 0.0 1 277 173 88 ASP N N 118.932 0.0 1 278 174 89 VAL H H 7.950 0.000 1 279 174 89 VAL CA C 66.686 0.0 1 280 174 89 VAL CB C 30.459 0.0 1 281 174 89 VAL N N 120.611 0.0 1 282 175 90 LYS H H 8.060 0.000 1 283 175 90 LYS CA C 60.145 0.0 1 284 175 90 LYS CB C 31.321 0.0 1 285 175 90 LYS N N 119.619 0.0 1 286 176 91 ASN H H 8.318 0.000 1 287 176 91 ASN CA C 55.502 0.0 1 288 176 91 ASN CB C 37.665 0.0 1 289 176 91 ASN N N 117.350 0.0 1 290 177 92 ALA H H 8.452 0.000 1 291 177 92 ALA CA C 55.095 0.0 1 292 177 92 ALA CB C 18.675 0.0 1 293 177 92 ALA N N 123.000 0.0 1 294 178 93 VAL H H 8.746 0.000 1 295 178 93 VAL CA C 66.957 0.0 1 296 178 93 VAL CB C 30.274 0.0 1 297 178 93 VAL N N 118.538 0.0 1 298 179 94 GLY H H 7.909 0.000 1 299 179 94 GLY CA C 47.372 0.0 1 300 179 94 GLY N N 105.870 0.0 1 301 180 95 VAL H H 7.918 0.000 1 302 180 95 VAL CB C 30.866 0.0 1 303 180 95 VAL N N 123.482 0.0 1 304 181 96 LEU H H 8.003 0.000 1 305 181 96 LEU CA C 57.724 0.0 1 306 181 96 LEU CB C 41.030 0.0 1 307 181 96 LEU N N 122.401 0.0 1 308 182 97 ILE H H 8.953 0.000 1 309 182 97 ILE CA C 67.058 0.0 1 310 182 97 ILE CB C 37.150 0.0 1 311 182 97 ILE N N 117.527 0.0 1 312 183 98 GLY H H 8.254 0.000 1 313 183 98 GLY CA C 46.842 0.0 1 314 183 98 GLY N N 104.795 0.0 1 315 184 99 GLY H H 8.166 0.000 1 316 184 99 GLY CA C 46.674 0.0 1 317 184 99 GLY N N 109.083 0.0 1 318 185 100 LEU H H 8.203 0.000 1 319 185 100 LEU CA C 57.319 0.0 1 320 185 100 LEU CB C 41.679 0.0 1 321 185 100 LEU N N 121.475 0.0 1 322 186 101 GLU H H 9.358 0.000 1 323 186 101 GLU CA C 59.259 0.0 1 324 186 101 GLU CB C 28.746 0.0 1 325 186 101 GLU N N 121.957 0.0 1 326 187 102 ALA H H 7.705 0.000 1 327 187 102 ALA CA C 54.140 0.0 1 328 187 102 ALA CB C 17.200 0.0 1 329 187 102 ALA N N 121.648 0.0 1 330 188 103 ASN H H 6.964 0.000 1 331 188 103 ASN CA C 51.460 0.0 1 332 188 103 ASN CB C 38.059 0.0 1 333 188 103 ASN N N 116.684 0.0 1 334 189 104 ASP H H 7.812 0.000 1 335 189 104 ASP CA C 55.908 0.0 1 336 189 104 ASP CB C 37.809 0.0 1 337 189 104 ASP N N 111.494 0.0 1 338 190 105 ASN H H 7.140 0.000 1 339 190 105 ASN N N 112.588 0.0 1 340 191 106 THR H H 8.795 0.000 1 341 191 106 THR CA C 61.886 0.0 1 342 191 106 THR CB C 69.571 0.0 1 343 191 106 THR N N 118.854 0.0 1 344 192 107 VAL H H 9.358 0.000 1 345 192 107 VAL CA C 61.220 0.0 1 346 192 107 VAL CB C 32.682 0.0 1 347 192 107 VAL N N 126.934 0.0 1 348 193 108 ARG H H 8.986 0.000 1 349 193 108 ARG CA C 53.463 0.0 1 350 193 108 ARG CB C 32.282 0.0 1 351 193 108 ARG N N 127.376 0.0 1 352 194 109 VAL H H 8.624 0.000 1 353 194 109 VAL CA C 60.168 0.0 1 354 194 109 VAL CB C 33.137 0.0 1 355 194 109 VAL N N 116.717 0.0 1 356 195 110 SER H H 7.870 0.000 1 357 195 110 SER CA C 58.004 0.0 1 358 195 110 SER CB C 64.263 0.0 1 359 195 110 SER N N 119.833 0.0 1 360 196 111 GLU H H 9.081 0.000 1 361 196 111 GLU CA C 59.507 0.0 1 362 196 111 GLU CB C 28.794 0.0 1 363 196 111 GLU N N 122.109 0.0 1 364 197 112 THR H H 8.221 0.000 1 365 197 112 THR CA C 65.123 0.0 1 366 197 112 THR CB C 67.198 0.0 1 367 197 112 THR N N 113.179 0.0 1 368 198 113 LEU H H 7.833 0.000 1 369 198 113 LEU CA C 53.029 0.0 1 370 198 113 LEU CB C 43.397 0.0 1 371 198 113 LEU N N 120.183 0.0 1 372 203 118 TRP H H 7.928 0.000 1 373 203 118 TRP CA C 56.895 0.0 1 374 203 118 TRP CB C 30.195 0.0 1 375 203 118 TRP N N 119.305 0.0 1 376 204 119 ARG H H 7.799 0.000 1 377 204 119 ARG CA C 55.617 0.0 1 378 204 119 ARG CB C 29.928 0.0 1 379 204 119 ARG N N 121.578 0.0 1 380 205 120 SER H H 7.825 0.000 1 381 205 120 SER CA C 59.669 0.0 1 382 205 120 SER CB C 64.612 0.0 1 383 205 120 SER N N 122.415 0.0 1 stop_ save_