data_25768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25768 _Entry.Title ; Solution NMR structure of Outer Membrane Protein G from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-26 _Entry.Accession_date 2015-08-26 _Entry.Last_release_date 2015-12-28 _Entry.Original_release_date 2015-12-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Iga Kucharska . . . 25768 2 Patrick Seelheim . . . 25768 3 Thomas Edrington . C. . 25768 4 Binyong Liang . . . 25768 5 Lukas Tamm . K. . 25768 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25768 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Membrane Protein' . 25768 'Pseudomonas aeruginosa' . 25768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 25768 '15N chemical shifts' 181 25768 '1H chemical shifts' 181 25768 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-28 . original BMRB . 25768 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N6L 'BMRB Entry Tracking System' 25768 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25768 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26655471 _Citation.Full_citation . _Citation.Title ; OprG Harnesses the Dynamics of its Extracellular Loops to Transport Small Amino Acids across the Outer Membrane of Pseudomonas aeruginosa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2234 _Citation.Page_last 2245 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Iga Kucharska . . . 25768 1 2 Patrick Seelheim . . . 25768 1 3 Thomas Edrington . C. . 25768 1 4 Binyong Liang . . . 25768 1 5 Lukas Tamm . K. . 25768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25768 _Assembly.ID 1 _Assembly.Name 'Outer Membrane Protein G from Pseudomonas aeruginosa' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25768 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHKAGDFIIRGGFATVDPDD SSSDIKLDGAKQRGTKATVD SDTQLGLTFTYMFADKWGVE LVAATPFNHQVDVKGLGPGL DGKLADIKQLPPTLLLQYYP MGGTNSAFQPYGGLGVNYTT FFDEDLASNRKAQGFSSMKL QDSWGLAGELGFDYMLNEHA LFNMAVWYMDIDTKASINGP SALGVNKTKVDVDVDPWVYM IGFGYKFLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22885.924 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25768 1 2 2 HIS . 25768 1 3 3 LYS . 25768 1 4 4 ALA . 25768 1 5 5 GLY . 25768 1 6 6 ASP . 25768 1 7 7 PHE . 25768 1 8 8 ILE . 25768 1 9 9 ILE . 25768 1 10 10 ARG . 25768 1 11 11 GLY . 25768 1 12 12 GLY . 25768 1 13 13 PHE . 25768 1 14 14 ALA . 25768 1 15 15 THR . 25768 1 16 16 VAL . 25768 1 17 17 ASP . 25768 1 18 18 PRO . 25768 1 19 19 ASP . 25768 1 20 20 ASP . 25768 1 21 21 SER . 25768 1 22 22 SER . 25768 1 23 23 SER . 25768 1 24 24 ASP . 25768 1 25 25 ILE . 25768 1 26 26 LYS . 25768 1 27 27 LEU . 25768 1 28 28 ASP . 25768 1 29 29 GLY . 25768 1 30 30 ALA . 25768 1 31 31 LYS . 25768 1 32 32 GLN . 25768 1 33 33 ARG . 25768 1 34 34 GLY . 25768 1 35 35 THR . 25768 1 36 36 LYS . 25768 1 37 37 ALA . 25768 1 38 38 THR . 25768 1 39 39 VAL . 25768 1 40 40 ASP . 25768 1 41 41 SER . 25768 1 42 42 ASP . 25768 1 43 43 THR . 25768 1 44 44 GLN . 25768 1 45 45 LEU . 25768 1 46 46 GLY . 25768 1 47 47 LEU . 25768 1 48 48 THR . 25768 1 49 49 PHE . 25768 1 50 50 THR . 25768 1 51 51 TYR . 25768 1 52 52 MET . 25768 1 53 53 PHE . 25768 1 54 54 ALA . 25768 1 55 55 ASP . 25768 1 56 56 LYS . 25768 1 57 57 TRP . 25768 1 58 58 GLY . 25768 1 59 59 VAL . 25768 1 60 60 GLU . 25768 1 61 61 LEU . 25768 1 62 62 VAL . 25768 1 63 63 ALA . 25768 1 64 64 ALA . 25768 1 65 65 THR . 25768 1 66 66 PRO . 25768 1 67 67 PHE . 25768 1 68 68 ASN . 25768 1 69 69 HIS . 25768 1 70 70 GLN . 25768 1 71 71 VAL . 25768 1 72 72 ASP . 25768 1 73 73 VAL . 25768 1 74 74 LYS . 25768 1 75 75 GLY . 25768 1 76 76 LEU . 25768 1 77 77 GLY . 25768 1 78 78 PRO . 25768 1 79 79 GLY . 25768 1 80 80 LEU . 25768 1 81 81 ASP . 25768 1 82 82 GLY . 25768 1 83 83 LYS . 25768 1 84 84 LEU . 25768 1 85 85 ALA . 25768 1 86 86 ASP . 25768 1 87 87 ILE . 25768 1 88 88 LYS . 25768 1 89 89 GLN . 25768 1 90 90 LEU . 25768 1 91 91 PRO . 25768 1 92 92 PRO . 25768 1 93 93 THR . 25768 1 94 94 LEU . 25768 1 95 95 LEU . 25768 1 96 96 LEU . 25768 1 97 97 GLN . 25768 1 98 98 TYR . 25768 1 99 99 TYR . 25768 1 100 100 PRO . 25768 1 101 101 MET . 25768 1 102 102 GLY . 25768 1 103 103 GLY . 25768 1 104 104 THR . 25768 1 105 105 ASN . 25768 1 106 106 SER . 25768 1 107 107 ALA . 25768 1 108 108 PHE . 25768 1 109 109 GLN . 25768 1 110 110 PRO . 25768 1 111 111 TYR . 25768 1 112 112 GLY . 25768 1 113 113 GLY . 25768 1 114 114 LEU . 25768 1 115 115 GLY . 25768 1 116 116 VAL . 25768 1 117 117 ASN . 25768 1 118 118 TYR . 25768 1 119 119 THR . 25768 1 120 120 THR . 25768 1 121 121 PHE . 25768 1 122 122 PHE . 25768 1 123 123 ASP . 25768 1 124 124 GLU . 25768 1 125 125 ASP . 25768 1 126 126 LEU . 25768 1 127 127 ALA . 25768 1 128 128 SER . 25768 1 129 129 ASN . 25768 1 130 130 ARG . 25768 1 131 131 LYS . 25768 1 132 132 ALA . 25768 1 133 133 GLN . 25768 1 134 134 GLY . 25768 1 135 135 PHE . 25768 1 136 136 SER . 25768 1 137 137 SER . 25768 1 138 138 MET . 25768 1 139 139 LYS . 25768 1 140 140 LEU . 25768 1 141 141 GLN . 25768 1 142 142 ASP . 25768 1 143 143 SER . 25768 1 144 144 TRP . 25768 1 145 145 GLY . 25768 1 146 146 LEU . 25768 1 147 147 ALA . 25768 1 148 148 GLY . 25768 1 149 149 GLU . 25768 1 150 150 LEU . 25768 1 151 151 GLY . 25768 1 152 152 PHE . 25768 1 153 153 ASP . 25768 1 154 154 TYR . 25768 1 155 155 MET . 25768 1 156 156 LEU . 25768 1 157 157 ASN . 25768 1 158 158 GLU . 25768 1 159 159 HIS . 25768 1 160 160 ALA . 25768 1 161 161 LEU . 25768 1 162 162 PHE . 25768 1 163 163 ASN . 25768 1 164 164 MET . 25768 1 165 165 ALA . 25768 1 166 166 VAL . 25768 1 167 167 TRP . 25768 1 168 168 TYR . 25768 1 169 169 MET . 25768 1 170 170 ASP . 25768 1 171 171 ILE . 25768 1 172 172 ASP . 25768 1 173 173 THR . 25768 1 174 174 LYS . 25768 1 175 175 ALA . 25768 1 176 176 SER . 25768 1 177 177 ILE . 25768 1 178 178 ASN . 25768 1 179 179 GLY . 25768 1 180 180 PRO . 25768 1 181 181 SER . 25768 1 182 182 ALA . 25768 1 183 183 LEU . 25768 1 184 184 GLY . 25768 1 185 185 VAL . 25768 1 186 186 ASN . 25768 1 187 187 LYS . 25768 1 188 188 THR . 25768 1 189 189 LYS . 25768 1 190 190 VAL . 25768 1 191 191 ASP . 25768 1 192 192 VAL . 25768 1 193 193 ASP . 25768 1 194 194 VAL . 25768 1 195 195 ASP . 25768 1 196 196 PRO . 25768 1 197 197 TRP . 25768 1 198 198 VAL . 25768 1 199 199 TYR . 25768 1 200 200 MET . 25768 1 201 201 ILE . 25768 1 202 202 GLY . 25768 1 203 203 PHE . 25768 1 204 204 GLY . 25768 1 205 205 TYR . 25768 1 206 206 LYS . 25768 1 207 207 PHE . 25768 1 208 208 LEU . 25768 1 209 209 GLU . 25768 1 210 210 HIS . 25768 1 211 211 HIS . 25768 1 212 212 HIS . 25768 1 213 213 HIS . 25768 1 214 214 HIS . 25768 1 215 215 HIS . 25768 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25768 1 . HIS 2 2 25768 1 . LYS 3 3 25768 1 . ALA 4 4 25768 1 . GLY 5 5 25768 1 . ASP 6 6 25768 1 . PHE 7 7 25768 1 . ILE 8 8 25768 1 . ILE 9 9 25768 1 . ARG 10 10 25768 1 . GLY 11 11 25768 1 . GLY 12 12 25768 1 . PHE 13 13 25768 1 . ALA 14 14 25768 1 . THR 15 15 25768 1 . VAL 16 16 25768 1 . ASP 17 17 25768 1 . PRO 18 18 25768 1 . ASP 19 19 25768 1 . ASP 20 20 25768 1 . SER 21 21 25768 1 . SER 22 22 25768 1 . SER 23 23 25768 1 . ASP 24 24 25768 1 . ILE 25 25 25768 1 . LYS 26 26 25768 1 . LEU 27 27 25768 1 . ASP 28 28 25768 1 . GLY 29 29 25768 1 . ALA 30 30 25768 1 . LYS 31 31 25768 1 . GLN 32 32 25768 1 . ARG 33 33 25768 1 . GLY 34 34 25768 1 . THR 35 35 25768 1 . LYS 36 36 25768 1 . ALA 37 37 25768 1 . THR 38 38 25768 1 . VAL 39 39 25768 1 . ASP 40 40 25768 1 . SER 41 41 25768 1 . ASP 42 42 25768 1 . THR 43 43 25768 1 . GLN 44 44 25768 1 . LEU 45 45 25768 1 . GLY 46 46 25768 1 . LEU 47 47 25768 1 . THR 48 48 25768 1 . PHE 49 49 25768 1 . THR 50 50 25768 1 . TYR 51 51 25768 1 . MET 52 52 25768 1 . PHE 53 53 25768 1 . ALA 54 54 25768 1 . ASP 55 55 25768 1 . LYS 56 56 25768 1 . TRP 57 57 25768 1 . GLY 58 58 25768 1 . VAL 59 59 25768 1 . GLU 60 60 25768 1 . LEU 61 61 25768 1 . VAL 62 62 25768 1 . ALA 63 63 25768 1 . ALA 64 64 25768 1 . THR 65 65 25768 1 . PRO 66 66 25768 1 . PHE 67 67 25768 1 . ASN 68 68 25768 1 . HIS 69 69 25768 1 . GLN 70 70 25768 1 . VAL 71 71 25768 1 . ASP 72 72 25768 1 . VAL 73 73 25768 1 . LYS 74 74 25768 1 . GLY 75 75 25768 1 . LEU 76 76 25768 1 . GLY 77 77 25768 1 . PRO 78 78 25768 1 . GLY 79 79 25768 1 . LEU 80 80 25768 1 . ASP 81 81 25768 1 . GLY 82 82 25768 1 . LYS 83 83 25768 1 . LEU 84 84 25768 1 . ALA 85 85 25768 1 . ASP 86 86 25768 1 . ILE 87 87 25768 1 . LYS 88 88 25768 1 . GLN 89 89 25768 1 . LEU 90 90 25768 1 . PRO 91 91 25768 1 . PRO 92 92 25768 1 . THR 93 93 25768 1 . LEU 94 94 25768 1 . LEU 95 95 25768 1 . LEU 96 96 25768 1 . GLN 97 97 25768 1 . TYR 98 98 25768 1 . TYR 99 99 25768 1 . PRO 100 100 25768 1 . MET 101 101 25768 1 . GLY 102 102 25768 1 . GLY 103 103 25768 1 . THR 104 104 25768 1 . ASN 105 105 25768 1 . SER 106 106 25768 1 . ALA 107 107 25768 1 . PHE 108 108 25768 1 . GLN 109 109 25768 1 . PRO 110 110 25768 1 . TYR 111 111 25768 1 . GLY 112 112 25768 1 . GLY 113 113 25768 1 . LEU 114 114 25768 1 . GLY 115 115 25768 1 . VAL 116 116 25768 1 . ASN 117 117 25768 1 . TYR 118 118 25768 1 . THR 119 119 25768 1 . THR 120 120 25768 1 . PHE 121 121 25768 1 . PHE 122 122 25768 1 . ASP 123 123 25768 1 . GLU 124 124 25768 1 . ASP 125 125 25768 1 . LEU 126 126 25768 1 . ALA 127 127 25768 1 . SER 128 128 25768 1 . ASN 129 129 25768 1 . ARG 130 130 25768 1 . LYS 131 131 25768 1 . ALA 132 132 25768 1 . GLN 133 133 25768 1 . GLY 134 134 25768 1 . PHE 135 135 25768 1 . SER 136 136 25768 1 . SER 137 137 25768 1 . MET 138 138 25768 1 . LYS 139 139 25768 1 . LEU 140 140 25768 1 . GLN 141 141 25768 1 . ASP 142 142 25768 1 . SER 143 143 25768 1 . TRP 144 144 25768 1 . GLY 145 145 25768 1 . LEU 146 146 25768 1 . ALA 147 147 25768 1 . GLY 148 148 25768 1 . GLU 149 149 25768 1 . LEU 150 150 25768 1 . GLY 151 151 25768 1 . PHE 152 152 25768 1 . ASP 153 153 25768 1 . TYR 154 154 25768 1 . MET 155 155 25768 1 . LEU 156 156 25768 1 . ASN 157 157 25768 1 . GLU 158 158 25768 1 . HIS 159 159 25768 1 . ALA 160 160 25768 1 . LEU 161 161 25768 1 . PHE 162 162 25768 1 . ASN 163 163 25768 1 . MET 164 164 25768 1 . ALA 165 165 25768 1 . VAL 166 166 25768 1 . TRP 167 167 25768 1 . TYR 168 168 25768 1 . MET 169 169 25768 1 . ASP 170 170 25768 1 . ILE 171 171 25768 1 . ASP 172 172 25768 1 . THR 173 173 25768 1 . LYS 174 174 25768 1 . ALA 175 175 25768 1 . SER 176 176 25768 1 . ILE 177 177 25768 1 . ASN 178 178 25768 1 . GLY 179 179 25768 1 . PRO 180 180 25768 1 . SER 181 181 25768 1 . ALA 182 182 25768 1 . LEU 183 183 25768 1 . GLY 184 184 25768 1 . VAL 185 185 25768 1 . ASN 186 186 25768 1 . LYS 187 187 25768 1 . THR 188 188 25768 1 . LYS 189 189 25768 1 . VAL 190 190 25768 1 . ASP 191 191 25768 1 . VAL 192 192 25768 1 . ASP 193 193 25768 1 . VAL 194 194 25768 1 . ASP 195 195 25768 1 . PRO 196 196 25768 1 . TRP 197 197 25768 1 . VAL 198 198 25768 1 . TYR 199 199 25768 1 . MET 200 200 25768 1 . ILE 201 201 25768 1 . GLY 202 202 25768 1 . PHE 203 203 25768 1 . GLY 204 204 25768 1 . TYR 205 205 25768 1 . LYS 206 206 25768 1 . PHE 207 207 25768 1 . LEU 208 208 25768 1 . GLU 209 209 25768 1 . HIS 210 210 25768 1 . HIS 211 211 25768 1 . HIS 212 212 25768 1 . HIS 213 213 25768 1 . HIS 214 214 25768 1 . HIS 215 215 25768 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25768 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . 879793 . 25768 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25768 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet30a+ . . . 25768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25768 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM . . . . 25768 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25768 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25768 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25768 1 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25768 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25768 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25768 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25768 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM . . . . 25768 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25768 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25768 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25768 2 5 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 0.9 . . % . . . . 25768 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25768 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25768 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 25768 1 pressure 1 . atm 25768 1 temperature 273 . K 25768 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25768 _Software.ID 1 _Software.Name TALOS _Software.Version Talos+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . . 25768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Prediction of Protein Backbone Torsion Angles from NMR Chemical Shifts' 25768 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25768 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 25768 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR assignments' 25768 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25768 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, A.T et al' . . 25768 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25768 3 stop_ save_ save_Bruker_TopSpin _Software.Sf_category software _Software.Sf_framecode Bruker_TopSpin _Software.Entry_ID 25768 _Software.ID 4 _Software.Name Bruker_TopSpin _Software.Version 2.1.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 25768 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25768 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25768 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 25768 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25768 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25768 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Bruker Avance III' . 800 . . . 25768 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25768 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H 15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 4 '3D HNCB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 5 '3D HNCA(CO)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 6 '2D 1H 15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 7 '3D 15N 1H 1H NOESY TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 8 '4D 15N 1H 15N HSQC NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25768 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25768 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25768 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25768 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25768 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H 15N TROSY' . . . 25768 1 2 '3D HNCO' . . . 25768 1 3 '3D HNCA' . . . 25768 1 4 '3D HNCB' . . . 25768 1 5 '3D HNCA(CO)' . . . 25768 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS C C 13 175.31 0.0018 . 1 . . . A 2 HIS C . 25768 1 2 . 1 1 3 3 LYS H H 1 8.62 0.0010 . 1 . . . A 3 LYS H . 25768 1 3 . 1 1 3 3 LYS C C 13 173.49 0.0010 . 1 . . . A 3 LYS C . 25768 1 4 . 1 1 3 3 LYS CA C 13 55.05 0.0050 . 1 . . . A 3 LYS CA . 25768 1 5 . 1 1 3 3 LYS CB C 13 35.38 0.0180 . 1 . . . A 3 LYS CB . 25768 1 6 . 1 1 3 3 LYS N N 15 122.08 0.0310 . 1 . . . A 3 LYS N . 25768 1 7 . 1 1 4 4 ALA H H 1 8.58 0.0010 . 1 . . . A 4 ALA H . 25768 1 8 . 1 1 4 4 ALA C C 13 178.19 0.0010 . 1 . . . A 4 ALA C . 25768 1 9 . 1 1 4 4 ALA CA C 13 53.48 0.0010 . 1 . . . A 4 ALA CA . 25768 1 10 . 1 1 4 4 ALA CB C 13 18.14 0.0020 . 1 . . . A 4 ALA CB . 25768 1 11 . 1 1 4 4 ALA N N 15 120.86 0.0310 . 1 . . . A 4 ALA N . 25768 1 12 . 1 1 5 5 GLY H H 1 9.21 0.0010 . 1 . . . A 5 GLY H . 25768 1 13 . 1 1 5 5 GLY C C 13 173.83 0.0180 . 1 . . . A 5 GLY C . 25768 1 14 . 1 1 5 5 GLY CA C 13 44.88 0.0030 . 1 . . . A 5 GLY CA . 25768 1 15 . 1 1 5 5 GLY N N 15 112.89 0.0320 . 1 . . . A 5 GLY N . 25768 1 16 . 1 1 6 6 ASP H H 1 7.62 0.0010 . 1 . . . A 6 ASP H . 25768 1 17 . 1 1 6 6 ASP C C 13 174.38 0.0040 . 1 . . . A 6 ASP C . 25768 1 18 . 1 1 6 6 ASP CA C 13 55.79 0.0310 . 1 . . . A 6 ASP CA . 25768 1 19 . 1 1 6 6 ASP CB C 13 41.76 0.0070 . 1 . . . A 6 ASP CB . 25768 1 20 . 1 1 6 6 ASP N N 15 121.59 0.0270 . 1 . . . A 6 ASP N . 25768 1 21 . 1 1 7 7 PHE H H 1 8.25 0.0020 . 1 . . . A 7 PHE H . 25768 1 22 . 1 1 7 7 PHE C C 13 174.05 0.0120 . 1 . . . A 7 PHE C . 25768 1 23 . 1 1 7 7 PHE CA C 13 56.11 0.0120 . 1 . . . A 7 PHE CA . 25768 1 24 . 1 1 7 7 PHE CB C 13 42.55 0.0000 . 1 . . . A 7 PHE CB . 25768 1 25 . 1 1 7 7 PHE N N 15 120.86 0.0050 . 1 . . . A 7 PHE N . 25768 1 26 . 1 1 8 8 ILE H H 1 9.23 0.0000 . 1 . . . A 8 ILE H . 25768 1 27 . 1 1 8 8 ILE C C 13 174 0.0050 . 1 . . . A 8 ILE C . 25768 1 28 . 1 1 8 8 ILE CA C 13 61.16 0.0030 . 1 . . . A 8 ILE CA . 25768 1 29 . 1 1 8 8 ILE CB C 13 42.66 0.0440 . 1 . . . A 8 ILE CB . 25768 1 30 . 1 1 8 8 ILE N N 15 127.95 0.0630 . 1 . . . A 8 ILE N . 25768 1 31 . 1 1 9 9 ILE H H 1 8.58 0.001 . 1 . . . A 9 ILE H . 25768 1 32 . 1 1 9 9 ILE C C 13 173.63 0.0099 . 1 . . . A 9 ILE C . 25768 1 33 . 1 1 9 9 ILE CA C 13 59.6 0.004 . 1 . . . A 9 ILE CA . 25768 1 34 . 1 1 9 9 ILE CB C 13 41.18 0.005 . 1 . . . A 9 ILE CB . 25768 1 35 . 1 1 9 9 ILE N N 15 125.38 0.018 . 1 . . . A 9 ILE N . 25768 1 36 . 1 1 10 10 ARG H H 1 9.23 0.001 . 1 . . . A 10 ARG H . 25768 1 37 . 1 1 10 10 ARG C C 13 175.03 0.0099 . 1 . . . A 10 ARG C . 25768 1 38 . 1 1 10 10 ARG CA C 13 53.92 0.004 . 1 . . . A 10 ARG CA . 25768 1 39 . 1 1 10 10 ARG CB C 13 31.88 0.004 . 1 . . . A 10 ARG CB . 25768 1 40 . 1 1 10 10 ARG N N 15 124.95 0.021 . 1 . . . A 10 ARG N . 25768 1 41 . 1 1 11 11 GLY H H 1 8.78 0.002 . 1 . . . A 11 GLY H . 25768 1 42 . 1 1 11 11 GLY C C 13 172.09 0.012 . 1 . . . A 11 GLY C . 25768 1 43 . 1 1 11 11 GLY CA C 13 44.46 0.007 . 1 . . . A 11 GLY CA . 25768 1 44 . 1 1 11 11 GLY N N 15 105.65 0.018 . 1 . . . A 11 GLY N . 25768 1 45 . 1 1 12 12 GLY H H 1 8.51 0.002 . 1 . . . A 12 GLY H . 25768 1 46 . 1 1 12 12 GLY C C 13 171.46 0.009 . 1 . . . A 12 GLY C . 25768 1 47 . 1 1 12 12 GLY CA C 13 46.63 0.001 . 1 . . . A 12 GLY CA . 25768 1 48 . 1 1 12 12 GLY N N 15 107.8 0.016 . 1 . . . A 12 GLY N . 25768 1 49 . 1 1 13 13 PHE H H 1 8.61 0.0022 . 1 . . . A 13 PHE H . 25768 1 50 . 1 1 13 13 PHE C C 13 174.19 0.0099 . 1 . . . A 13 PHE C . 25768 1 51 . 1 1 13 13 PHE CA C 13 56.34 0.0018 . 1 . . . A 13 PHE CA . 25768 1 52 . 1 1 13 13 PHE CB C 13 41.09 0.001 . 1 . . . A 13 PHE CB . 25768 1 53 . 1 1 13 13 PHE N N 15 119.9 0.045 . 1 . . . A 13 PHE N . 25768 1 54 . 1 1 14 14 ALA H H 1 9.22 0.005 . 1 . . . A 14 ALA H . 25768 1 55 . 1 1 14 14 ALA C C 13 176.56 0.036 . 1 . . . A 14 ALA C . 25768 1 56 . 1 1 14 14 ALA CA C 13 49.94 0.041 . 1 . . . A 14 ALA CA . 25768 1 57 . 1 1 14 14 ALA CB C 13 20.36 0.056 . 1 . . . A 14 ALA CB . 25768 1 58 . 1 1 14 14 ALA N N 15 128.03 0.049 . 1 . . . A 14 ALA N . 25768 1 59 . 1 1 15 15 THR H H 1 9.22 0.003 . 1 . . . A 15 THR H . 25768 1 60 . 1 1 15 15 THR CA C 13 61.44 0.0018 . 1 . . . A 15 THR CA . 25768 1 61 . 1 1 15 15 THR CB C 13 71.37 0.001 . 1 . . . A 15 THR CB . 25768 1 62 . 1 1 15 15 THR N N 15 118.62 0.027 . 1 . . . A 15 THR N . 25768 1 63 . 1 1 18 18 PRO C C 13 176.69 0.0099 . 1 . . . A 18 PRO C . 25768 1 64 . 1 1 18 18 PRO CA C 13 63.61 0.0018 . 1 . . . A 18 PRO CA . 25768 1 65 . 1 1 18 18 PRO CB C 13 32.44 0.001 . 1 . . . A 18 PRO CB . 25768 1 66 . 1 1 19 19 ASP H H 1 8.33 0.001 . 1 . . . A 19 ASP H . 25768 1 67 . 1 1 19 19 ASP C C 13 175.95 0.007 . 1 . . . A 19 ASP C . 25768 1 68 . 1 1 19 19 ASP CA C 13 54.71 0.004 . 1 . . . A 19 ASP CA . 25768 1 69 . 1 1 19 19 ASP CB C 13 41.45 0.015 . 1 . . . A 19 ASP CB . 25768 1 70 . 1 1 19 19 ASP N N 15 120.32 0.021 . 1 . . . A 19 ASP N . 25768 1 71 . 1 1 20 20 ASP H H 1 8.24 0.001 . 1 . . . A 20 ASP H . 25768 1 72 . 1 1 20 20 ASP C C 13 176.76 0.016 . 1 . . . A 20 ASP C . 25768 1 73 . 1 1 20 20 ASP CA C 13 54.47 0.001 . 1 . . . A 20 ASP CA . 25768 1 74 . 1 1 20 20 ASP CB C 13 41.31 0.005 . 1 . . . A 20 ASP CB . 25768 1 75 . 1 1 20 20 ASP N N 15 121.99 0.072 . 1 . . . A 20 ASP N . 25768 1 76 . 1 1 21 21 SER H H 1 8.36 0.002 . 1 . . . A 21 SER H . 25768 1 77 . 1 1 21 21 SER C C 13 175.17 0.0099 . 1 . . . A 21 SER C . 25768 1 78 . 1 1 21 21 SER CA C 13 59.49 0.005 . 1 . . . A 21 SER CA . 25768 1 79 . 1 1 21 21 SER CB C 13 64.08 0.013 . 1 . . . A 21 SER CB . 25768 1 80 . 1 1 21 21 SER N N 15 117.05 0.023 . 1 . . . A 21 SER N . 25768 1 81 . 1 1 22 22 SER H H 1 8.31 0.002 . 1 . . . A 22 SER H . 25768 1 82 . 1 1 22 22 SER C C 13 174.94 0.0099 . 1 . . . A 22 SER C . 25768 1 83 . 1 1 22 22 SER CA C 13 59.16 0.0018 . 1 . . . A 22 SER CA . 25768 1 84 . 1 1 22 22 SER CB C 13 64.11 0.001 . 1 . . . A 22 SER CB . 25768 1 85 . 1 1 22 22 SER N N 15 117.82 0.039 . 1 . . . A 22 SER N . 25768 1 86 . 1 1 23 23 SER H H 1 8.12 0.001 . 1 . . . A 23 SER H . 25768 1 87 . 1 1 23 23 SER C C 13 174.34 0.006 . 1 . . . A 23 SER C . 25768 1 88 . 1 1 23 23 SER CA C 13 59.05 0.0018 . 1 . . . A 23 SER CA . 25768 1 89 . 1 1 23 23 SER CB C 13 64.21 0.001 . 1 . . . A 23 SER CB . 25768 1 90 . 1 1 23 23 SER N N 15 117.66 0.016 . 1 . . . A 23 SER N . 25768 1 91 . 1 1 24 24 ASP H H 1 8.23 0.001 . 1 . . . A 24 ASP H . 25768 1 92 . 1 1 24 24 ASP C C 13 176.25 0.001 . 1 . . . A 24 ASP C . 25768 1 93 . 1 1 24 24 ASP CA C 13 54.91 0.004 . 1 . . . A 24 ASP CA . 25768 1 94 . 1 1 24 24 ASP CB C 13 41.27 0.015 . 1 . . . A 24 ASP CB . 25768 1 95 . 1 1 24 24 ASP N N 15 122.59 0.051 . 1 . . . A 24 ASP N . 25768 1 96 . 1 1 25 25 ILE H H 1 7.86 0.001 . 1 . . . A 25 ILE H . 25768 1 97 . 1 1 25 25 ILE C C 13 176.19 0.003 . 1 . . . A 25 ILE C . 25768 1 98 . 1 1 25 25 ILE CA C 13 61.88 0.001 . 1 . . . A 25 ILE CA . 25768 1 99 . 1 1 25 25 ILE CB C 13 38.73 0.001 . 1 . . . A 25 ILE CB . 25768 1 100 . 1 1 25 25 ILE N N 15 120.65 0.006 . 1 . . . A 25 ILE N . 25768 1 101 . 1 1 26 26 LYS H H 1 8.14 0.002 . 1 . . . A 26 LYS H . 25768 1 102 . 1 1 26 26 LYS C C 13 176.64 0.016 . 1 . . . A 26 LYS C . 25768 1 103 . 1 1 26 26 LYS CA C 13 56.52 0.002 . 1 . . . A 26 LYS CA . 25768 1 104 . 1 1 26 26 LYS CB C 13 32.89 0.002 . 1 . . . A 26 LYS CB . 25768 1 105 . 1 1 26 26 LYS N N 15 124.42 0.018 . 1 . . . A 26 LYS N . 25768 1 106 . 1 1 27 27 LEU H H 1 8.08 0.001 . 1 . . . A 27 LEU H . 25768 1 107 . 1 1 27 27 LEU C C 13 177.11 0.015 . 1 . . . A 27 LEU C . 25768 1 108 . 1 1 27 27 LEU CA C 13 55.59 0.007 . 1 . . . A 27 LEU CA . 25768 1 109 . 1 1 27 27 LEU CB C 13 42.5 0.017 . 1 . . . A 27 LEU CB . 25768 1 110 . 1 1 27 27 LEU N N 15 123.12 0.021 . 1 . . . A 27 LEU N . 25768 1 111 . 1 1 28 28 ASP H H 1 8.18 0.001 . 1 . . . A 28 ASP H . 25768 1 112 . 1 1 28 28 ASP C C 13 176.96 0.0099 . 1 . . . A 28 ASP C . 25768 1 113 . 1 1 28 28 ASP CA C 13 54.8 0.0018 . 1 . . . A 28 ASP CA . 25768 1 114 . 1 1 28 28 ASP CB C 13 41.38 0.004 . 1 . . . A 28 ASP CB . 25768 1 115 . 1 1 28 28 ASP N N 15 120.85 0.052 . 1 . . . A 28 ASP N . 25768 1 116 . 1 1 29 29 GLY H H 1 8.23 0.001 . 1 . . . A 29 GLY H . 25768 1 117 . 1 1 29 29 GLY C C 13 174.37 0.001 . 1 . . . A 29 GLY C . 25768 1 118 . 1 1 29 29 GLY CA C 13 46.15 0.002 . 1 . . . A 29 GLY CA . 25768 1 119 . 1 1 29 29 GLY N N 15 109.8 0.039 . 1 . . . A 29 GLY N . 25768 1 120 . 1 1 30 30 ALA H H 1 8.04 0.002 . 1 . . . A 30 ALA H . 25768 1 121 . 1 1 30 30 ALA C C 13 178.04 0.004 . 1 . . . A 30 ALA C . 25768 1 122 . 1 1 30 30 ALA CA C 13 53.14 0.0018 . 1 . . . A 30 ALA CA . 25768 1 123 . 1 1 30 30 ALA CB C 13 19.35 0.001 . 1 . . . A 30 ALA CB . 25768 1 124 . 1 1 30 30 ALA N N 15 123.88 0.003 . 1 . . . A 30 ALA N . 25768 1 125 . 1 1 31 31 LYS H H 1 8.06 0.001 . 1 . . . A 31 LYS H . 25768 1 126 . 1 1 31 31 LYS C C 13 176.77 0.004 . 1 . . . A 31 LYS C . 25768 1 127 . 1 1 31 31 LYS CA C 13 56.87 0.011 . 1 . . . A 31 LYS CA . 25768 1 128 . 1 1 31 31 LYS CB C 13 32.98 0.002 . 1 . . . A 31 LYS CB . 25768 1 129 . 1 1 31 31 LYS N N 15 119.8 0.018 . 1 . . . A 31 LYS N . 25768 1 130 . 1 1 32 32 GLN H H 1 8.17 0.001 . 1 . . . A 32 GLN H . 25768 1 131 . 1 1 32 32 GLN C C 13 176 0.009 . 1 . . . A 32 GLN C . 25768 1 132 . 1 1 32 32 GLN CA C 13 56.28 0.007 . 1 . . . A 32 GLN CA . 25768 1 133 . 1 1 32 32 GLN CB C 13 29.58 0.027 . 1 . . . A 32 GLN CB . 25768 1 134 . 1 1 32 32 GLN N N 15 120.93 0.039 . 1 . . . A 32 GLN N . 25768 1 135 . 1 1 33 33 ARG H H 1 8.27 0.001 . 1 . . . A 33 ARG H . 25768 1 136 . 1 1 33 33 ARG C C 13 176.82 0.004 . 1 . . . A 33 ARG C . 25768 1 137 . 1 1 33 33 ARG CA C 13 56.68 0.013 . 1 . . . A 33 ARG CA . 25768 1 138 . 1 1 33 33 ARG CB C 13 31.04 0.001 . 1 . . . A 33 ARG CB . 25768 1 139 . 1 1 33 33 ARG N N 15 122.37 0.037 . 1 . . . A 33 ARG N . 25768 1 140 . 1 1 34 34 GLY H H 1 8.36 0.001 . 1 . . . A 34 GLY H . 25768 1 141 . 1 1 34 34 GLY C C 13 174.28 0.003 . 1 . . . A 34 GLY C . 25768 1 142 . 1 1 34 34 GLY CA C 13 45.77 0.0018 . 1 . . . A 34 GLY CA . 25768 1 143 . 1 1 34 34 GLY N N 15 110.21 0.026 . 1 . . . A 34 GLY N . 25768 1 144 . 1 1 35 35 THR H H 1 7.97 0.001 . 1 . . . A 35 THR H . 25768 1 145 . 1 1 35 35 THR C C 13 174.55 0.0099 . 1 . . . A 35 THR C . 25768 1 146 . 1 1 35 35 THR CA C 13 62.14 0.016 . 1 . . . A 35 THR CA . 25768 1 147 . 1 1 35 35 THR CB C 13 70.33 0.014 . 1 . . . A 35 THR CB . 25768 1 148 . 1 1 35 35 THR N N 15 114.1 0.045 . 1 . . . A 35 THR N . 25768 1 149 . 1 1 36 36 LYS H H 1 8.23 0.002 . 1 . . . A 36 LYS H . 25768 1 150 . 1 1 36 36 LYS C C 13 176.04 0.002 . 1 . . . A 36 LYS C . 25768 1 151 . 1 1 36 36 LYS CA C 13 56.6 0.013 . 1 . . . A 36 LYS CA . 25768 1 152 . 1 1 36 36 LYS CB C 13 33.28 0.007 . 1 . . . A 36 LYS CB . 25768 1 153 . 1 1 36 36 LYS N N 15 123.85 0.046 . 1 . . . A 36 LYS N . 25768 1 154 . 1 1 37 37 ALA H H 1 8.29 0.001 . 1 . . . A 37 ALA H . 25768 1 155 . 1 1 37 37 ALA C C 13 177.57 0.006 . 1 . . . A 37 ALA C . 25768 1 156 . 1 1 37 37 ALA CA C 13 52.86 0.005 . 1 . . . A 37 ALA CA . 25768 1 157 . 1 1 37 37 ALA CB C 13 19.61 0.003 . 1 . . . A 37 ALA CB . 25768 1 158 . 1 1 37 37 ALA N N 15 125.65 0.045 . 1 . . . A 37 ALA N . 25768 1 159 . 1 1 38 38 THR H H 1 7.97 0.001 . 1 . . . A 38 THR H . 25768 1 160 . 1 1 38 38 THR C C 13 174.54 0.006 . 1 . . . A 38 THR C . 25768 1 161 . 1 1 38 38 THR CA C 13 62.01 0.02 . 1 . . . A 38 THR CA . 25768 1 162 . 1 1 38 38 THR CB C 13 70.35 0.022 . 1 . . . A 38 THR CB . 25768 1 163 . 1 1 38 38 THR N N 15 113.35 0.076 . 1 . . . A 38 THR N . 25768 1 164 . 1 1 39 39 VAL H H 1 8.02 0.002 . 1 . . . A 39 VAL H . 25768 1 165 . 1 1 39 39 VAL C C 13 175.62 0.02 . 1 . . . A 39 VAL C . 25768 1 166 . 1 1 39 39 VAL CA C 13 62.47 0.008 . 1 . . . A 39 VAL CA . 25768 1 167 . 1 1 39 39 VAL CB C 13 32.94 0.008 . 1 . . . A 39 VAL CB . 25768 1 168 . 1 1 39 39 VAL N N 15 120.79 0.071 . 1 . . . A 39 VAL N . 25768 1 169 . 1 1 40 40 ASP H H 1 8.31 0.0018 . 1 . . . A 40 ASP H . 25768 1 170 . 1 1 40 40 ASP C C 13 176.19 0.002 . 1 . . . A 40 ASP C . 25768 1 171 . 1 1 40 40 ASP CA C 13 54.78 0.003 . 1 . . . A 40 ASP CA . 25768 1 172 . 1 1 40 40 ASP CB C 13 41.59 0.009 . 1 . . . A 40 ASP CB . 25768 1 173 . 1 1 40 40 ASP N N 15 123.69 0.048 . 1 . . . A 40 ASP N . 25768 1 174 . 1 1 41 41 SER H H 1 8.13 0.002 . 1 . . . A 41 SER H . 25768 1 175 . 1 1 41 41 SER C C 13 174.17 0.0099 . 1 . . . A 41 SER C . 25768 1 176 . 1 1 41 41 SER CA C 13 59 0.001 . 1 . . . A 41 SER CA . 25768 1 177 . 1 1 41 41 SER CB C 13 64.42 0.005 . 1 . . . A 41 SER CB . 25768 1 178 . 1 1 41 41 SER N N 15 115.47 0.033 . 1 . . . A 41 SER N . 25768 1 179 . 1 1 42 42 ASP H H 1 8.41 0.001 . 1 . . . A 42 ASP H . 25768 1 180 . 1 1 42 42 ASP C C 13 175.74 0.015 . 1 . . . A 42 ASP C . 25768 1 181 . 1 1 42 42 ASP CA C 13 54.78 0.002 . 1 . . . A 42 ASP CA . 25768 1 182 . 1 1 42 42 ASP CB C 13 41.62 0.022 . 1 . . . A 42 ASP CB . 25768 1 183 . 1 1 42 42 ASP N N 15 122.43 0.02 . 1 . . . A 42 ASP N . 25768 1 184 . 1 1 43 43 THR H H 1 8.01 0.002 . 1 . . . A 43 THR H . 25768 1 185 . 1 1 43 43 THR C C 13 173.63 0.011 . 1 . . . A 43 THR C . 25768 1 186 . 1 1 43 43 THR CA C 13 63.12 0.013 . 1 . . . A 43 THR CA . 25768 1 187 . 1 1 43 43 THR CB C 13 70.65 0.006 . 1 . . . A 43 THR CB . 25768 1 188 . 1 1 43 43 THR N N 15 117.58 0.042 . 1 . . . A 43 THR N . 25768 1 189 . 1 1 44 44 GLN H H 1 9.26 0.002 . 1 . . . A 44 GLN H . 25768 1 190 . 1 1 44 44 GLN C C 13 174.08 0.011 . 1 . . . A 44 GLN C . 25768 1 191 . 1 1 44 44 GLN CA C 13 55.11 0.013 . 1 . . . A 44 GLN CA . 25768 1 192 . 1 1 44 44 GLN CB C 13 31.57 0.023 . 1 . . . A 44 GLN CB . 25768 1 193 . 1 1 44 44 GLN N N 15 125.42 0.026 . 1 . . . A 44 GLN N . 25768 1 194 . 1 1 45 45 LEU H H 1 8.55 0.001 . 1 . . . A 45 LEU H . 25768 1 195 . 1 1 45 45 LEU C C 13 175.97 0.031 . 1 . . . A 45 LEU C . 25768 1 196 . 1 1 45 45 LEU CA C 13 54.69 0.007 . 1 . . . A 45 LEU CA . 25768 1 197 . 1 1 45 45 LEU CB C 13 42.27 0.045 . 1 . . . A 45 LEU CB . 25768 1 198 . 1 1 45 45 LEU N N 15 124.19 0.046 . 1 . . . A 45 LEU N . 25768 1 199 . 1 1 46 46 GLY H H 1 8.81 0.002 . 1 . . . A 46 GLY H . 25768 1 200 . 1 1 46 46 GLY C C 13 171.18 0.005 . 1 . . . A 46 GLY C . 25768 1 201 . 1 1 46 46 GLY CA C 13 44.4 0.007 . 1 . . . A 46 GLY CA . 25768 1 202 . 1 1 46 46 GLY N N 15 113.31 0.061 . 1 . . . A 46 GLY N . 25768 1 203 . 1 1 47 47 LEU H H 1 8.59 0.001 . 1 . . . A 47 LEU H . 25768 1 204 . 1 1 47 47 LEU C C 13 175.4 0.051 . 1 . . . A 47 LEU C . 25768 1 205 . 1 1 47 47 LEU CA C 13 53.75 0.001 . 1 . . . A 47 LEU CA . 25768 1 206 . 1 1 47 47 LEU CB C 13 46.8 0.002 . 1 . . . A 47 LEU CB . 25768 1 207 . 1 1 47 47 LEU N N 15 123.89 0.027 . 1 . . . A 47 LEU N . 25768 1 208 . 1 1 48 48 THR H H 1 8.62 0.002 . 1 . . . A 48 THR H . 25768 1 209 . 1 1 48 48 THR C C 13 172.52 0.031 . 1 . . . A 48 THR C . 25768 1 210 . 1 1 48 48 THR CA C 13 58.95 0.005 . 1 . . . A 48 THR CA . 25768 1 211 . 1 1 48 48 THR CB C 13 72.36 0.004 . 1 . . . A 48 THR CB . 25768 1 212 . 1 1 48 48 THR N N 15 111.21 0.02 . 1 . . . A 48 THR N . 25768 1 213 . 1 1 49 49 PHE H H 1 8.41 0.002 . 1 . . . A 49 PHE H . 25768 1 214 . 1 1 49 49 PHE C C 13 174.7 0.006 . 1 . . . A 49 PHE C . 25768 1 215 . 1 1 49 49 PHE CA C 13 55.08 0.004 . 1 . . . A 49 PHE CA . 25768 1 216 . 1 1 49 49 PHE CB C 13 42.36 0.002 . 1 . . . A 49 PHE CB . 25768 1 217 . 1 1 49 49 PHE N N 15 118.81 0.024 . 1 . . . A 49 PHE N . 25768 1 218 . 1 1 50 50 THR H H 1 9.33 0.001 . 1 . . . A 50 THR H . 25768 1 219 . 1 1 50 50 THR C C 13 173.25 0.009 . 1 . . . A 50 THR C . 25768 1 220 . 1 1 50 50 THR CA C 13 62.74 0.003 . 1 . . . A 50 THR CA . 25768 1 221 . 1 1 50 50 THR CB C 13 73.74 0.001 . 1 . . . A 50 THR CB . 25768 1 222 . 1 1 50 50 THR N N 15 121.23 0.027 . 1 . . . A 50 THR N . 25768 1 223 . 1 1 51 51 TYR H H 1 9.15 0.001 . 1 . . . A 51 TYR H . 25768 1 224 . 1 1 51 51 TYR C C 13 174.85 0.003 . 1 . . . A 51 TYR C . 25768 1 225 . 1 1 51 51 TYR CA C 13 56.24 0.003 . 1 . . . A 51 TYR CA . 25768 1 226 . 1 1 51 51 TYR CB C 13 41.63 0.002 . 1 . . . A 51 TYR CB . 25768 1 227 . 1 1 51 51 TYR N N 15 126.01 0.027 . 1 . . . A 51 TYR N . 25768 1 228 . 1 1 52 52 MET H H 1 7.95 0.001 . 1 . . . A 52 MET H . 25768 1 229 . 1 1 52 52 MET C C 13 174.49 0.025 . 1 . . . A 52 MET C . 25768 1 230 . 1 1 52 52 MET CA C 13 52.45 0.002 . 1 . . . A 52 MET CA . 25768 1 231 . 1 1 52 52 MET CB C 13 28.59 0.02 . 1 . . . A 52 MET CB . 25768 1 232 . 1 1 52 52 MET N N 15 127.39 0.028 . 1 . . . A 52 MET N . 25768 1 233 . 1 1 53 53 PHE H H 1 7.72 0.001 . 1 . . . A 53 PHE H . 25768 1 234 . 1 1 53 53 PHE C C 13 173.72 0.017 . 1 . . . A 53 PHE C . 25768 1 235 . 1 1 53 53 PHE CA C 13 57.11 0.004 . 1 . . . A 53 PHE CA . 25768 1 236 . 1 1 53 53 PHE CB C 13 39.42 0.017 . 1 . . . A 53 PHE CB . 25768 1 237 . 1 1 53 53 PHE N N 15 123.83 0.036 . 1 . . . A 53 PHE N . 25768 1 238 . 1 1 54 54 ALA H H 1 8.36 0.001 . 1 . . . A 54 ALA H . 25768 1 239 . 1 1 54 54 ALA C C 13 175.02 0.009 . 1 . . . A 54 ALA C . 25768 1 240 . 1 1 54 54 ALA CA C 13 50.74 0.001 . 1 . . . A 54 ALA CA . 25768 1 241 . 1 1 54 54 ALA CB C 13 22.7 0.005 . 1 . . . A 54 ALA CB . 25768 1 242 . 1 1 54 54 ALA N N 15 125.65 0.037 . 1 . . . A 54 ALA N . 25768 1 243 . 1 1 55 55 ASP H H 1 8.59 0.001 . 1 . . . A 55 ASP H . 25768 1 244 . 1 1 55 55 ASP C C 13 174.78 0.033 . 1 . . . A 55 ASP C . 25768 1 245 . 1 1 55 55 ASP CA C 13 58.59 0.004 . 1 . . . A 55 ASP CA . 25768 1 246 . 1 1 55 55 ASP CB C 13 40.43 0.055 . 1 . . . A 55 ASP CB . 25768 1 247 . 1 1 55 55 ASP N N 15 118.79 0.011 . 1 . . . A 55 ASP N . 25768 1 248 . 1 1 56 56 LYS H H 1 7.26 0.001 . 1 . . . A 56 LYS H . 25768 1 249 . 1 1 56 56 LYS C C 13 174.94 0.003 . 1 . . . A 56 LYS C . 25768 1 250 . 1 1 56 56 LYS CA C 13 55.26 0.01 . 1 . . . A 56 LYS CA . 25768 1 251 . 1 1 56 56 LYS CB C 13 34.51 0.005 . 1 . . . A 56 LYS CB . 25768 1 252 . 1 1 56 56 LYS N N 15 106.2 0.026 . 1 . . . A 56 LYS N . 25768 1 253 . 1 1 57 57 TRP H H 1 6.57 0.001 . 1 . . . A 57 TRP H . 25768 1 254 . 1 1 57 57 TRP C C 13 173.94 0.0099 . 1 . . . A 57 TRP C . 25768 1 255 . 1 1 57 57 TRP CA C 13 55.41 0.01 . 1 . . . A 57 TRP CA . 25768 1 256 . 1 1 57 57 TRP CB C 13 34.47 0.043 . 1 . . . A 57 TRP CB . 25768 1 257 . 1 1 57 57 TRP N N 15 115.68 0.046 . 1 . . . A 57 TRP N . 25768 1 258 . 1 1 58 58 GLY H H 1 9.26 0.001 . 1 . . . A 58 GLY H . 25768 1 259 . 1 1 58 58 GLY C C 13 172.73 0.004 . 1 . . . A 58 GLY C . 25768 1 260 . 1 1 58 58 GLY CA C 13 45.05 0.006 . 1 . . . A 58 GLY CA . 25768 1 261 . 1 1 58 58 GLY N N 15 107.61 0.029 . 1 . . . A 58 GLY N . 25768 1 262 . 1 1 59 59 VAL H H 1 9.03 0.001 . 1 . . . A 59 VAL H . 25768 1 263 . 1 1 59 59 VAL C C 13 173 0.019 . 1 . . . A 59 VAL C . 25768 1 264 . 1 1 59 59 VAL CA C 13 59.95 0.005 . 1 . . . A 59 VAL CA . 25768 1 265 . 1 1 59 59 VAL CB C 13 35.17 0.017 . 1 . . . A 59 VAL CB . 25768 1 266 . 1 1 59 59 VAL N N 15 118.13 0.008 . 1 . . . A 59 VAL N . 25768 1 267 . 1 1 60 60 GLU H H 1 9.44 0.001 . 1 . . . A 60 GLU H . 25768 1 268 . 1 1 60 60 GLU C C 13 174.47 0.0099 . 1 . . . A 60 GLU C . 25768 1 269 . 1 1 60 60 GLU CA C 13 52.94 0.011 . 1 . . . A 60 GLU CA . 25768 1 270 . 1 1 60 60 GLU CB C 13 35.1 0.001 . 1 . . . A 60 GLU CB . 25768 1 271 . 1 1 60 60 GLU N N 15 127.9 0.024 . 1 . . . A 60 GLU N . 25768 1 272 . 1 1 61 61 LEU H H 1 8.74 0.002 . 1 . . . A 61 LEU H . 25768 1 273 . 1 1 61 61 LEU C C 13 174.95 0.0099 . 1 . . . A 61 LEU C . 25768 1 274 . 1 1 61 61 LEU CA C 13 53.39 0.018 . 1 . . . A 61 LEU CA . 25768 1 275 . 1 1 61 61 LEU CB C 13 45.98 0.047 . 1 . . . A 61 LEU CB . 25768 1 276 . 1 1 61 61 LEU N N 15 127.41 0.015 . 1 . . . A 61 LEU N . 25768 1 277 . 1 1 62 62 VAL H H 1 8.79 0.002 . 1 . . . A 62 VAL H . 25768 1 278 . 1 1 62 62 VAL C C 13 173.96 0.0099 . 1 . . . A 62 VAL C . 25768 1 279 . 1 1 62 62 VAL CA C 13 61.35 0.012 . 1 . . . A 62 VAL CA . 25768 1 280 . 1 1 62 62 VAL CB C 13 34.74 0.05 . 1 . . . A 62 VAL CB . 25768 1 281 . 1 1 62 62 VAL N N 15 125.75 0.02 . 1 . . . A 62 VAL N . 25768 1 282 . 1 1 63 63 ALA H H 1 8.74 0.001 . 1 . . . A 63 ALA H . 25768 1 283 . 1 1 63 63 ALA C C 13 173.93 0.0099 . 1 . . . A 63 ALA C . 25768 1 284 . 1 1 63 63 ALA CA C 13 51.14 0.017 . 1 . . . A 63 ALA CA . 25768 1 285 . 1 1 63 63 ALA CB C 13 22.5 0.015 . 1 . . . A 63 ALA CB . 25768 1 286 . 1 1 63 63 ALA N N 15 127.23 0.012 . 1 . . . A 63 ALA N . 25768 1 287 . 1 1 64 64 ALA H H 1 8.29 0.002 . 1 . . . A 64 ALA H . 25768 1 288 . 1 1 64 64 ALA C C 13 176.77 0.014 . 1 . . . A 64 ALA C . 25768 1 289 . 1 1 64 64 ALA CA C 13 51.42 0.007 . 1 . . . A 64 ALA CA . 25768 1 290 . 1 1 64 64 ALA CB C 13 22.59 0.05 . 1 . . . A 64 ALA CB . 25768 1 291 . 1 1 64 64 ALA N N 15 120.41 0.031 . 1 . . . A 64 ALA N . 25768 1 292 . 1 1 65 65 THR H H 1 8.76 0.003 . 1 . . . A 65 THR H . 25768 1 293 . 1 1 65 65 THR C C 13 171.22 0.0099 . 1 . . . A 65 THR C . 25768 1 294 . 1 1 65 65 THR CA C 13 58.86 0.0018 . 1 . . . A 65 THR CA . 25768 1 295 . 1 1 65 65 THR CB C 13 72.02 0.001 . 1 . . . A 65 THR CB . 25768 1 296 . 1 1 65 65 THR N N 15 116.13 0.011 . 1 . . . A 65 THR N . 25768 1 297 . 1 1 66 66 PRO C C 13 176.72 0.0099 . 1 . . . A 66 PRO C . 25768 1 298 . 1 1 66 66 PRO CA C 13 63.61 0.0018 . 1 . . . A 66 PRO CA . 25768 1 299 . 1 1 66 66 PRO CB C 13 32.55 0.001 . 1 . . . A 66 PRO CB . 25768 1 300 . 1 1 67 67 PHE H H 1 8.59 0.002 . 1 . . . A 67 PHE H . 25768 1 301 . 1 1 67 67 PHE C C 13 175.48 0.003 . 1 . . . A 67 PHE C . 25768 1 302 . 1 1 67 67 PHE CA C 13 58.84 0.006 . 1 . . . A 67 PHE CA . 25768 1 303 . 1 1 67 67 PHE CB C 13 40.17 0.016 . 1 . . . A 67 PHE CB . 25768 1 304 . 1 1 67 67 PHE N N 15 120.36 0.032 . 1 . . . A 67 PHE N . 25768 1 305 . 1 1 68 68 ASN H H 1 8.34 0.001 . 1 . . . A 68 ASN H . 25768 1 306 . 1 1 68 68 ASN C C 13 174.74 0.002 . 1 . . . A 68 ASN C . 25768 1 307 . 1 1 68 68 ASN CA C 13 53.43 0.017 . 1 . . . A 68 ASN CA . 25768 1 308 . 1 1 68 68 ASN CB C 13 39.42 0.023 . 1 . . . A 68 ASN CB . 25768 1 309 . 1 1 68 68 ASN N N 15 119.03 0.024 . 1 . . . A 68 ASN N . 25768 1 310 . 1 1 69 69 HIS H H 1 8.35 0.006 . 1 . . . A 69 HIS H . 25768 1 311 . 1 1 69 69 HIS C C 13 174.37 0.0099 . 1 . . . A 69 HIS C . 25768 1 312 . 1 1 69 69 HIS CA C 13 55.95 0.002 . 1 . . . A 69 HIS CA . 25768 1 313 . 1 1 69 69 HIS CB C 13 29.96 0.042 . 1 . . . A 69 HIS CB . 25768 1 314 . 1 1 69 69 HIS N N 15 119.59 0.055 . 1 . . . A 69 HIS N . 25768 1 315 . 1 1 70 70 GLN H H 1 8.35 0.001 . 1 . . . A 70 GLN H . 25768 1 316 . 1 1 70 70 GLN C C 13 175.74 0.0099 . 1 . . . A 70 GLN C . 25768 1 317 . 1 1 70 70 GLN CA C 13 56.34 0.043 . 1 . . . A 70 GLN CA . 25768 1 318 . 1 1 70 70 GLN CB C 13 29.66 0.013 . 1 . . . A 70 GLN CB . 25768 1 319 . 1 1 70 70 GLN N N 15 121.98 0.018 . 1 . . . A 70 GLN N . 25768 1 320 . 1 1 71 71 VAL H H 1 8.02 0.001 . 1 . . . A 71 VAL H . 25768 1 321 . 1 1 71 71 VAL C C 13 175.5 0.0099 . 1 . . . A 71 VAL C . 25768 1 322 . 1 1 71 71 VAL CA C 13 62.54 0.0018 . 1 . . . A 71 VAL CA . 25768 1 323 . 1 1 71 71 VAL CB C 13 33.09 0.001 . 1 . . . A 71 VAL CB . 25768 1 324 . 1 1 71 71 VAL N N 15 120.53 0.016 . 1 . . . A 71 VAL N . 25768 1 325 . 1 1 72 72 ASP H H 1 8.28 0.001 . 1 . . . A 72 ASP H . 25768 1 326 . 1 1 72 72 ASP C C 13 176.3 0.008 . 1 . . . A 72 ASP C . 25768 1 327 . 1 1 72 72 ASP CA C 13 54.34 0.008 . 1 . . . A 72 ASP CA . 25768 1 328 . 1 1 72 72 ASP CB C 13 41.48 0.02 . 1 . . . A 72 ASP CB . 25768 1 329 . 1 1 72 72 ASP N N 15 123.91 0.04 . 1 . . . A 72 ASP N . 25768 1 330 . 1 1 73 73 VAL H H 1 7.96 0.002 . 1 . . . A 73 VAL H . 25768 1 331 . 1 1 73 73 VAL C C 13 176.35 0.005 . 1 . . . A 73 VAL C . 25768 1 332 . 1 1 73 73 VAL CA C 13 62.97 0.018 . 1 . . . A 73 VAL CA . 25768 1 333 . 1 1 73 73 VAL CB C 13 32.55 0.001 . 1 . . . A 73 VAL CB . 25768 1 334 . 1 1 73 73 VAL N N 15 120.58 0.093 . 1 . . . A 73 VAL N . 25768 1 335 . 1 1 74 74 LYS H H 1 8.23 0.001 . 1 . . . A 74 LYS H . 25768 1 336 . 1 1 74 74 LYS C C 13 177.13 0.0099 . 1 . . . A 74 LYS C . 25768 1 337 . 1 1 74 74 LYS CA C 13 57.06 0.008 . 1 . . . A 74 LYS CA . 25768 1 338 . 1 1 74 74 LYS CB C 13 32.86 0.001 . 1 . . . A 74 LYS CB . 25768 1 339 . 1 1 74 74 LYS N N 15 123.62 0.04 . 1 . . . A 74 LYS N . 25768 1 340 . 1 1 75 75 GLY H H 1 8.16 0.001 . 1 . . . A 75 GLY H . 25768 1 341 . 1 1 75 75 GLY C C 13 174.03 0.0099 . 1 . . . A 75 GLY C . 25768 1 342 . 1 1 75 75 GLY CA C 13 45.8 0.0018 . 1 . . . A 75 GLY CA . 25768 1 343 . 1 1 75 75 GLY N N 15 109.37 0.017 . 1 . . . A 75 GLY N . 25768 1 344 . 1 1 76 76 LEU H H 1 8.03 0.002 . 1 . . . A 76 LEU H . 25768 1 345 . 1 1 76 76 LEU C C 13 177.41 0.01 . 1 . . . A 76 LEU C . 25768 1 346 . 1 1 76 76 LEU CA C 13 55.41 0.003 . 1 . . . A 76 LEU CA . 25768 1 347 . 1 1 76 76 LEU CB C 13 42.79 0.017 . 1 . . . A 76 LEU CB . 25768 1 348 . 1 1 76 76 LEU N N 15 121.66 0.019 . 1 . . . A 76 LEU N . 25768 1 349 . 1 1 77 77 GLY H H 1 8.1 0.001 . 1 . . . A 77 GLY H . 25768 1 350 . 1 1 77 77 GLY C C 13 171.8 0.0099 . 1 . . . A 77 GLY C . 25768 1 351 . 1 1 77 77 GLY CA C 13 44.99 0.0018 . 1 . . . A 77 GLY CA . 25768 1 352 . 1 1 77 77 GLY N N 15 109.33 0.037 . 1 . . . A 77 GLY N . 25768 1 353 . 1 1 78 78 PRO C C 13 177.74 0.0099 . 1 . . . A 78 PRO C . 25768 1 354 . 1 1 78 78 PRO CA C 13 63.89 0.0018 . 1 . . . A 78 PRO CA . 25768 1 355 . 1 1 78 78 PRO CB C 13 32.17 0.001 . 1 . . . A 78 PRO CB . 25768 1 356 . 1 1 79 79 GLY H H 1 8.41 0.001 . 1 . . . A 79 GLY H . 25768 1 357 . 1 1 79 79 GLY C C 13 174.46 0.005 . 1 . . . A 79 GLY C . 25768 1 358 . 1 1 79 79 GLY CA C 13 45.78 0.0018 . 1 . . . A 79 GLY CA . 25768 1 359 . 1 1 79 79 GLY N N 15 109.53 0.017 . 1 . . . A 79 GLY N . 25768 1 360 . 1 1 80 80 LEU H H 1 8.01 0.001 . 1 . . . A 80 LEU H . 25768 1 361 . 1 1 80 80 LEU C C 13 177.1 0.002 . 1 . . . A 80 LEU C . 25768 1 362 . 1 1 80 80 LEU CA C 13 55.72 0.014 . 1 . . . A 80 LEU CA . 25768 1 363 . 1 1 80 80 LEU CB C 13 42.58 0.001 . 1 . . . A 80 LEU CB . 25768 1 364 . 1 1 80 80 LEU N N 15 121.88 0.031 . 1 . . . A 80 LEU N . 25768 1 365 . 1 1 81 81 ASP H H 1 8.22 0.001 . 1 . . . A 81 ASP H . 25768 1 366 . 1 1 81 81 ASP C C 13 176.88 0.021 . 1 . . . A 81 ASP C . 25768 1 367 . 1 1 81 81 ASP CA C 13 54.77 0.001 . 1 . . . A 81 ASP CA . 25768 1 368 . 1 1 81 81 ASP CB C 13 41.39 0.004 . 1 . . . A 81 ASP CB . 25768 1 369 . 1 1 81 81 ASP N N 15 119.99 0.042 . 1 . . . A 81 ASP N . 25768 1 370 . 1 1 82 82 GLY H H 1 8.17 0.001 . 1 . . . A 82 GLY H . 25768 1 371 . 1 1 82 82 GLY C C 13 174.19 0.001 . 1 . . . A 82 GLY C . 25768 1 372 . 1 1 82 82 GLY CA C 13 45.99 0.023 . 1 . . . A 82 GLY CA . 25768 1 373 . 1 1 82 82 GLY N N 15 109.27 0.007 . 1 . . . A 82 GLY N . 25768 1 374 . 1 1 83 83 LYS H H 1 7.97 0.001 . 1 . . . A 83 LYS H . 25768 1 375 . 1 1 83 83 LYS C C 13 176.61 0.005 . 1 . . . A 83 LYS C . 25768 1 376 . 1 1 83 83 LYS CA C 13 56.62 0.0018 . 1 . . . A 83 LYS CA . 25768 1 377 . 1 1 83 83 LYS CB C 13 33.02 0.009 . 1 . . . A 83 LYS CB . 25768 1 378 . 1 1 83 83 LYS N N 15 121 0.027 . 1 . . . A 83 LYS N . 25768 1 379 . 1 1 84 84 LEU H H 1 8.13 0.001 . 1 . . . A 84 LEU H . 25768 1 380 . 1 1 84 84 LEU C C 13 176.92 0.034 . 1 . . . A 84 LEU C . 25768 1 381 . 1 1 84 84 LEU CA C 13 55.55 0.015 . 1 . . . A 84 LEU CA . 25768 1 382 . 1 1 84 84 LEU CB C 13 42.43 0.028 . 1 . . . A 84 LEU CB . 25768 1 383 . 1 1 84 84 LEU N N 15 123.12 0.029 . 1 . . . A 84 LEU N . 25768 1 384 . 1 1 85 85 ALA H H 1 8.04 0.0022 . 1 . . . A 85 ALA H . 25768 1 385 . 1 1 85 85 ALA C C 13 177.06 0.0099 . 1 . . . A 85 ALA C . 25768 1 386 . 1 1 85 85 ALA CA C 13 52.79 0.005 . 1 . . . A 85 ALA CA . 25768 1 387 . 1 1 85 85 ALA CB C 13 19.67 0.001 . 1 . . . A 85 ALA CB . 25768 1 388 . 1 1 85 85 ALA N N 15 123.93 0.013 . 1 . . . A 85 ALA N . 25768 1 389 . 1 1 86 86 ASP H H 1 8.11 0.001 . 1 . . . A 86 ASP H . 25768 1 390 . 1 1 86 86 ASP C C 13 175.82 0.015 . 1 . . . A 86 ASP C . 25768 1 391 . 1 1 86 86 ASP CA C 13 54.52 0.008 . 1 . . . A 86 ASP CA . 25768 1 392 . 1 1 86 86 ASP CB C 13 41.39 0.005 . 1 . . . A 86 ASP CB . 25768 1 393 . 1 1 86 86 ASP N N 15 119.76 0.035 . 1 . . . A 86 ASP N . 25768 1 394 . 1 1 87 87 ILE H H 1 7.8 0.001 . 1 . . . A 87 ILE H . 25768 1 395 . 1 1 87 87 ILE C C 13 175.74 0.006 . 1 . . . A 87 ILE C . 25768 1 396 . 1 1 87 87 ILE CA C 13 61.16 0.009 . 1 . . . A 87 ILE CA . 25768 1 397 . 1 1 87 87 ILE CB C 13 39.26 0.047 . 1 . . . A 87 ILE CB . 25768 1 398 . 1 1 87 87 ILE N N 15 120.62 0.012 . 1 . . . A 87 ILE N . 25768 1 399 . 1 1 88 88 LYS H H 1 8.25 0.0022 . 1 . . . A 88 LYS H . 25768 1 400 . 1 1 88 88 LYS C C 13 175.34 0.018 . 1 . . . A 88 LYS C . 25768 1 401 . 1 1 88 88 LYS CA C 13 56.3 0.006 . 1 . . . A 88 LYS CA . 25768 1 402 . 1 1 88 88 LYS CB C 13 32.9 0.059 . 1 . . . A 88 LYS CB . 25768 1 403 . 1 1 88 88 LYS N N 15 125.82 0.038 . 1 . . . A 88 LYS N . 25768 1 404 . 1 1 89 89 GLN H H 1 8 0.002 . 1 . . . A 89 GLN H . 25768 1 405 . 1 1 89 89 GLN C C 13 175 0.0099 . 1 . . . A 89 GLN C . 25768 1 406 . 1 1 89 89 GLN CA C 13 55.21 0.004 . 1 . . . A 89 GLN CA . 25768 1 407 . 1 1 89 89 GLN CB C 13 30.57 0.029 . 1 . . . A 89 GLN CB . 25768 1 408 . 1 1 89 89 GLN N N 15 121.75 0.043 . 1 . . . A 89 GLN N . 25768 1 409 . 1 1 90 90 LEU H H 1 8.63 0.001 . 1 . . . A 90 LEU H . 25768 1 410 . 1 1 90 90 LEU C C 13 174.24 0.0099 . 1 . . . A 90 LEU C . 25768 1 411 . 1 1 90 90 LEU CA C 13 52.72 0.0018 . 1 . . . A 90 LEU CA . 25768 1 412 . 1 1 90 90 LEU CB C 13 42.35 0.001 . 1 . . . A 90 LEU CB . 25768 1 413 . 1 1 90 90 LEU N N 15 126.66 0.047 . 1 . . . A 90 LEU N . 25768 1 414 . 1 1 92 92 PRO C C 13 173.9 0.0099 . 1 . . . A 92 PRO C . 25768 1 415 . 1 1 92 92 PRO CA C 13 63.32 0.0018 . 1 . . . A 92 PRO CA . 25768 1 416 . 1 1 92 92 PRO CB C 13 31.92 0.001 . 1 . . . A 92 PRO CB . 25768 1 417 . 1 1 93 93 THR H H 1 8.29 0.0022 . 1 . . . A 93 THR H . 25768 1 418 . 1 1 93 93 THR C C 13 171.36 0.0099 . 1 . . . A 93 THR C . 25768 1 419 . 1 1 93 93 THR CA C 13 62.61 0.0018 . 1 . . . A 93 THR CA . 25768 1 420 . 1 1 93 93 THR CB C 13 72.68 0.001 . 1 . . . A 93 THR CB . 25768 1 421 . 1 1 93 93 THR N N 15 119.77 0.033 . 1 . . . A 93 THR N . 25768 1 422 . 1 1 94 94 LEU H H 1 8.68 0.011 . 1 . . . A 94 LEU H . 25768 1 423 . 1 1 94 94 LEU C C 13 175.13 0.008 . 1 . . . A 94 LEU C . 25768 1 424 . 1 1 94 94 LEU CA C 13 53.52 0.038 . 1 . . . A 94 LEU CA . 25768 1 425 . 1 1 94 94 LEU CB C 13 46.14 0.001 . 1 . . . A 94 LEU CB . 25768 1 426 . 1 1 94 94 LEU N N 15 128.88 0.094 . 1 . . . A 94 LEU N . 25768 1 427 . 1 1 95 95 LEU H H 1 9.58 0.002 . 1 . . . A 95 LEU H . 25768 1 428 . 1 1 95 95 LEU C C 13 175.54 0.028 . 1 . . . A 95 LEU C . 25768 1 429 . 1 1 95 95 LEU CA C 13 55.19 0.013 . 1 . . . A 95 LEU CA . 25768 1 430 . 1 1 95 95 LEU CB C 13 45.3 0.103 . 1 . . . A 95 LEU CB . 25768 1 431 . 1 1 95 95 LEU N N 15 123.63 0.036 . 1 . . . A 95 LEU N . 25768 1 432 . 1 1 96 96 LEU H H 1 8.77 0.002 . 1 . . . A 96 LEU H . 25768 1 433 . 1 1 96 96 LEU C C 13 174.96 0.011 . 1 . . . A 96 LEU C . 25768 1 434 . 1 1 96 96 LEU CA C 13 54.42 0.02 . 1 . . . A 96 LEU CA . 25768 1 435 . 1 1 96 96 LEU CB C 13 44.56 0.06 . 1 . . . A 96 LEU CB . 25768 1 436 . 1 1 96 96 LEU N N 15 123.15 0.021 . 1 . . . A 96 LEU N . 25768 1 437 . 1 1 97 97 GLN H H 1 9.48 0.001 . 1 . . . A 97 GLN H . 25768 1 438 . 1 1 97 97 GLN C C 13 174.38 0.009 . 1 . . . A 97 GLN C . 25768 1 439 . 1 1 97 97 GLN CA C 13 54.74 0.0018 . 1 . . . A 97 GLN CA . 25768 1 440 . 1 1 97 97 GLN CB C 13 36.6 0.006 . 1 . . . A 97 GLN CB . 25768 1 441 . 1 1 97 97 GLN N N 15 121.29 0.024 . 1 . . . A 97 GLN N . 25768 1 442 . 1 1 98 98 TYR H H 1 9.01 0.001 . 1 . . . A 98 TYR H . 25768 1 443 . 1 1 98 98 TYR C C 13 173.46 0.004 . 1 . . . A 98 TYR C . 25768 1 444 . 1 1 98 98 TYR CA C 13 55.16 0.01 . 1 . . . A 98 TYR CA . 25768 1 445 . 1 1 98 98 TYR CB C 13 42.42 0.003 . 1 . . . A 98 TYR CB . 25768 1 446 . 1 1 98 98 TYR N N 15 122.25 0.016 . 1 . . . A 98 TYR N . 25768 1 447 . 1 1 99 99 TYR H H 1 8.3 0.001 . 1 . . . A 99 TYR H . 25768 1 448 . 1 1 99 99 TYR C C 13 175.38 0.0099 . 1 . . . A 99 TYR C . 25768 1 449 . 1 1 99 99 TYR CA C 13 54.22 0.0018 . 1 . . . A 99 TYR CA . 25768 1 450 . 1 1 99 99 TYR CB C 13 38.89 0.001 . 1 . . . A 99 TYR CB . 25768 1 451 . 1 1 99 99 TYR N N 15 126.86 0.032 . 1 . . . A 99 TYR N . 25768 1 452 . 1 1 100 100 PRO C C 13 178.33 0.0099 . 1 . . . A 100 PRO C . 25768 1 453 . 1 1 100 100 PRO CA C 13 64.75 0.0018 . 1 . . . A 100 PRO CA . 25768 1 454 . 1 1 100 100 PRO CB C 13 32.13 0.001 . 1 . . . A 100 PRO CB . 25768 1 455 . 1 1 101 101 MET H H 1 9.39 0.001 . 1 . . . A 101 MET H . 25768 1 456 . 1 1 101 101 MET C C 13 178.24 0.001 . 1 . . . A 101 MET C . 25768 1 457 . 1 1 101 101 MET CA C 13 53.5 0.019 . 1 . . . A 101 MET CA . 25768 1 458 . 1 1 101 101 MET CB C 13 30.16 0.012 . 1 . . . A 101 MET CB . 25768 1 459 . 1 1 101 101 MET N N 15 114.52 0.035 . 1 . . . A 101 MET N . 25768 1 460 . 1 1 102 102 GLY H H 1 8.64 0.001 . 1 . . . A 102 GLY H . 25768 1 461 . 1 1 102 102 GLY C C 13 175.69 0.003 . 1 . . . A 102 GLY C . 25768 1 462 . 1 1 102 102 GLY CA C 13 46.76 0.001 . 1 . . . A 102 GLY CA . 25768 1 463 . 1 1 102 102 GLY N N 15 117.5 0.024 . 1 . . . A 102 GLY N . 25768 1 464 . 1 1 103 103 GLY H H 1 9.39 0.001 . 1 . . . A 103 GLY H . 25768 1 465 . 1 1 103 103 GLY C C 13 174.07 0.005 . 1 . . . A 103 GLY C . 25768 1 466 . 1 1 103 103 GLY CA C 13 46.14 0.007 . 1 . . . A 103 GLY CA . 25768 1 467 . 1 1 103 103 GLY N N 15 111.03 0.019 . 1 . . . A 103 GLY N . 25768 1 468 . 1 1 104 104 THR H H 1 7.29 0.001 . 1 . . . A 104 THR H . 25768 1 469 . 1 1 104 104 THR C C 13 174.29 0.0099 . 1 . . . A 104 THR C . 25768 1 470 . 1 1 104 104 THR CA C 13 60.9 0.0018 . 1 . . . A 104 THR CA . 25768 1 471 . 1 1 104 104 THR CB C 13 72.07 0.001 . 1 . . . A 104 THR CB . 25768 1 472 . 1 1 104 104 THR N N 15 109.29 0.022 . 1 . . . A 104 THR N . 25768 1 473 . 1 1 105 105 ASN C C 13 175.05 0.0099 . 1 . . . A 105 ASN C . 25768 1 474 . 1 1 105 105 ASN CA C 13 52.88 0.0018 . 1 . . . A 105 ASN CA . 25768 1 475 . 1 1 105 105 ASN CB C 13 38.26 0.001 . 1 . . . A 105 ASN CB . 25768 1 476 . 1 1 106 106 SER H H 1 7.45 0.002 . 1 . . . A 106 SER H . 25768 1 477 . 1 1 106 106 SER C C 13 176 0.0099 . 1 . . . A 106 SER C . 25768 1 478 . 1 1 106 106 SER CA C 13 58.7 0.0018 . 1 . . . A 106 SER CA . 25768 1 479 . 1 1 106 106 SER CB C 13 64.54 0.015 . 1 . . . A 106 SER CB . 25768 1 480 . 1 1 106 106 SER N N 15 113 0.022 . 1 . . . A 106 SER N . 25768 1 481 . 1 1 107 107 ALA H H 1 8.87 0.001 . 1 . . . A 107 ALA H . 25768 1 482 . 1 1 107 107 ALA C C 13 176.61 0.004 . 1 . . . A 107 ALA C . 25768 1 483 . 1 1 107 107 ALA CA C 13 54.38 0.0018 . 1 . . . A 107 ALA CA . 25768 1 484 . 1 1 107 107 ALA CB C 13 18.69 0.047 . 1 . . . A 107 ALA CB . 25768 1 485 . 1 1 107 107 ALA N N 15 132.22 0.025 . 1 . . . A 107 ALA N . 25768 1 486 . 1 1 108 108 PHE H H 1 7.55 0.001 . 1 . . . A 108 PHE H . 25768 1 487 . 1 1 108 108 PHE C C 13 174.27 0.007 . 1 . . . A 108 PHE C . 25768 1 488 . 1 1 108 108 PHE CA C 13 56.14 0.001 . 1 . . . A 108 PHE CA . 25768 1 489 . 1 1 108 108 PHE CB C 13 40.52 0.001 . 1 . . . A 108 PHE CB . 25768 1 490 . 1 1 108 108 PHE N N 15 116.05 0.03 . 1 . . . A 108 PHE N . 25768 1 491 . 1 1 109 109 GLN H H 1 9.06 0.001 . 1 . . . A 109 GLN H . 25768 1 492 . 1 1 109 109 GLN C C 13 172.3 0.0099 . 1 . . . A 109 GLN C . 25768 1 493 . 1 1 109 109 GLN CA C 13 52.31 0.0018 . 1 . . . A 109 GLN CA . 25768 1 494 . 1 1 109 109 GLN CB C 13 29.05 0.001 . 1 . . . A 109 GLN CB . 25768 1 495 . 1 1 109 109 GLN N N 15 128.26 0.025 . 1 . . . A 109 GLN N . 25768 1 496 . 1 1 110 110 PRO C C 13 175.02 0.0099 . 1 . . . A 110 PRO C . 25768 1 497 . 1 1 110 110 PRO CA C 13 61.55 0.0018 . 1 . . . A 110 PRO CA . 25768 1 498 . 1 1 110 110 PRO CB C 13 33.28 0.001 . 1 . . . A 110 PRO CB . 25768 1 499 . 1 1 111 111 TYR H H 1 8.5 0.003 . 1 . . . A 111 TYR H . 25768 1 500 . 1 1 111 111 TYR C C 13 173.85 0.004 . 1 . . . A 111 TYR C . 25768 1 501 . 1 1 111 111 TYR CA C 13 56.47 0.001 . 1 . . . A 111 TYR CA . 25768 1 502 . 1 1 111 111 TYR CB C 13 38.65 0.009 . 1 . . . A 111 TYR CB . 25768 1 503 . 1 1 111 111 TYR N N 15 115.73 0.026 . 1 . . . A 111 TYR N . 25768 1 504 . 1 1 112 112 GLY H H 1 8.11 0.0022 . 1 . . . A 112 GLY H . 25768 1 505 . 1 1 112 112 GLY C C 13 172.02 0.013 . 1 . . . A 112 GLY C . 25768 1 506 . 1 1 112 112 GLY CA C 13 43.95 0.002 . 1 . . . A 112 GLY CA . 25768 1 507 . 1 1 112 112 GLY N N 15 103.57 0.014 . 1 . . . A 112 GLY N . 25768 1 508 . 1 1 113 113 GLY H H 1 9.08 0.001 . 1 . . . A 113 GLY H . 25768 1 509 . 1 1 113 113 GLY C C 13 171.54 0.01 . 1 . . . A 113 GLY C . 25768 1 510 . 1 1 113 113 GLY CA C 13 46.12 0.003 . 1 . . . A 113 GLY CA . 25768 1 511 . 1 1 113 113 GLY N N 15 108.51 0.009 . 1 . . . A 113 GLY N . 25768 1 512 . 1 1 114 114 LEU H H 1 8.62 0.001 . 1 . . . A 114 LEU H . 25768 1 513 . 1 1 114 114 LEU C C 13 175.81 0.0099 . 1 . . . A 114 LEU C . 25768 1 514 . 1 1 114 114 LEU CA C 13 53.92 0.013 . 1 . . . A 114 LEU CA . 25768 1 515 . 1 1 114 114 LEU CB C 13 47.94 0.053 . 1 . . . A 114 LEU CB . 25768 1 516 . 1 1 114 114 LEU N N 15 120.27 0.003 . 1 . . . A 114 LEU N . 25768 1 517 . 1 1 115 115 GLY H H 1 9 0.004 . 1 . . . A 115 GLY H . 25768 1 518 . 1 1 115 115 GLY C C 13 171.56 0.034 . 1 . . . A 115 GLY C . 25768 1 519 . 1 1 115 115 GLY CA C 13 46.94 0.002 . 1 . . . A 115 GLY CA . 25768 1 520 . 1 1 115 115 GLY N N 15 110.62 0.029 . 1 . . . A 115 GLY N . 25768 1 521 . 1 1 116 116 VAL H H 1 8.68 0.003 . 1 . . . A 116 VAL H . 25768 1 522 . 1 1 116 116 VAL C C 13 174.12 0.059 . 1 . . . A 116 VAL C . 25768 1 523 . 1 1 116 116 VAL CA C 13 58.97 0.019 . 1 . . . A 116 VAL CA . 25768 1 524 . 1 1 116 116 VAL CB C 13 36.6 0.001 . 1 . . . A 116 VAL CB . 25768 1 525 . 1 1 116 116 VAL N N 15 113.6 0.035 . 1 . . . A 116 VAL N . 25768 1 526 . 1 1 117 117 ASN H H 1 8.84 0.001 . 1 . . . A 117 ASN H . 25768 1 527 . 1 1 117 117 ASN CA C 13 52.19 0.0018 . 1 . . . A 117 ASN CA . 25768 1 528 . 1 1 117 117 ASN CB C 13 42.45 0.001 . 1 . . . A 117 ASN CB . 25768 1 529 . 1 1 117 117 ASN N N 15 120.02 0.016 . 1 . . . A 117 ASN N . 25768 1 530 . 1 1 119 119 THR C C 13 174.35 0.0099 . 1 . . . A 119 THR C . 25768 1 531 . 1 1 119 119 THR CA C 13 63.14 0.0018 . 1 . . . A 119 THR CA . 25768 1 532 . 1 1 119 119 THR CB C 13 70.17 0.001 . 1 . . . A 119 THR CB . 25768 1 533 . 1 1 120 120 THR H H 1 7.57 0.002 . 1 . . . A 120 THR H . 25768 1 534 . 1 1 120 120 THR C C 13 174.22 0.0099 . 1 . . . A 120 THR C . 25768 1 535 . 1 1 120 120 THR CA C 13 61.9 0.066 . 1 . . . A 120 THR CA . 25768 1 536 . 1 1 120 120 THR CB C 13 70.14 0.001 . 1 . . . A 120 THR CB . 25768 1 537 . 1 1 120 120 THR N N 15 114.12 0.022 . 1 . . . A 120 THR N . 25768 1 538 . 1 1 121 121 PHE H H 1 7.83 0.052 . 1 . . . A 121 PHE H . 25768 1 539 . 1 1 121 121 PHE C C 13 174.91 0.0099 . 1 . . . A 121 PHE C . 25768 1 540 . 1 1 121 121 PHE CA C 13 58.72 0.0018 . 1 . . . A 121 PHE CA . 25768 1 541 . 1 1 121 121 PHE CB C 13 40.47 0.001 . 1 . . . A 121 PHE CB . 25768 1 542 . 1 1 121 121 PHE N N 15 121.23 0.006 . 1 . . . A 121 PHE N . 25768 1 543 . 1 1 122 122 PHE C C 13 175.07 0.0099 . 1 . . . A 122 PHE C . 25768 1 544 . 1 1 122 122 PHE CA C 13 57.89 0.007 . 1 . . . A 122 PHE CA . 25768 1 545 . 1 1 122 122 PHE CB C 13 39.87 0.024 . 1 . . . A 122 PHE CB . 25768 1 546 . 1 1 123 123 ASP H H 1 7.95 0.002 . 1 . . . A 123 ASP H . 25768 1 547 . 1 1 123 123 ASP C C 13 176.15 0.003 . 1 . . . A 123 ASP C . 25768 1 548 . 1 1 123 123 ASP CA C 13 54.53 0.013 . 1 . . . A 123 ASP CA . 25768 1 549 . 1 1 123 123 ASP CB C 13 41.83 0.014 . 1 . . . A 123 ASP CB . 25768 1 550 . 1 1 123 123 ASP N N 15 122.17 0.027 . 1 . . . A 123 ASP N . 25768 1 551 . 1 1 124 124 GLU H H 1 8.34 0.001 . 1 . . . A 124 GLU H . 25768 1 552 . 1 1 124 124 GLU C C 13 176.63 0.004 . 1 . . . A 124 GLU C . 25768 1 553 . 1 1 124 124 GLU CA C 13 57.62 0.002 . 1 . . . A 124 GLU CA . 25768 1 554 . 1 1 124 124 GLU CB C 13 30.45 0.005 . 1 . . . A 124 GLU CB . 25768 1 555 . 1 1 124 124 GLU N N 15 122.69 0.031 . 1 . . . A 124 GLU N . 25768 1 556 . 1 1 125 125 ASP H H 1 8.31 0.0022 . 1 . . . A 125 ASP H . 25768 1 557 . 1 1 125 125 ASP C C 13 176.94 0.001 . 1 . . . A 125 ASP C . 25768 1 558 . 1 1 125 125 ASP CA C 13 55.18 0.002 . 1 . . . A 125 ASP CA . 25768 1 559 . 1 1 125 125 ASP CB C 13 41.22 0.019 . 1 . . . A 125 ASP CB . 25768 1 560 . 1 1 125 125 ASP N N 15 121.28 0.008 . 1 . . . A 125 ASP N . 25768 1 561 . 1 1 126 126 LEU H H 1 8.01 0.001 . 1 . . . A 126 LEU H . 25768 1 562 . 1 1 126 126 LEU C C 13 178.02 0.007 . 1 . . . A 126 LEU C . 25768 1 563 . 1 1 126 126 LEU CA C 13 56.45 0.021 . 1 . . . A 126 LEU CA . 25768 1 564 . 1 1 126 126 LEU CB C 13 42.15 0.002 . 1 . . . A 126 LEU CB . 25768 1 565 . 1 1 126 126 LEU N N 15 122.83 0.041 . 1 . . . A 126 LEU N . 25768 1 566 . 1 1 127 127 ALA H H 1 8.1 0.0022 . 1 . . . A 127 ALA H . 25768 1 567 . 1 1 127 127 ALA C C 13 178.6 0.001 . 1 . . . A 127 ALA C . 25768 1 568 . 1 1 127 127 ALA CA C 13 53.78 0.002 . 1 . . . A 127 ALA CA . 25768 1 569 . 1 1 127 127 ALA CB C 13 19 0.002 . 1 . . . A 127 ALA CB . 25768 1 570 . 1 1 127 127 ALA N N 15 122.66 0.029 . 1 . . . A 127 ALA N . 25768 1 571 . 1 1 128 128 SER H H 1 7.92 0.001 . 1 . . . A 128 SER H . 25768 1 572 . 1 1 128 128 SER C C 13 175.01 0.011 . 1 . . . A 128 SER C . 25768 1 573 . 1 1 128 128 SER CA C 13 59.58 0.003 . 1 . . . A 128 SER CA . 25768 1 574 . 1 1 128 128 SER CB C 13 63.8 0.026 . 1 . . . A 128 SER CB . 25768 1 575 . 1 1 128 128 SER N N 15 113.74 0.023 . 1 . . . A 128 SER N . 25768 1 576 . 1 1 129 129 ASN H H 1 8.12 0.001 . 1 . . . A 129 ASN H . 25768 1 577 . 1 1 129 129 ASN C C 13 175.59 0.005 . 1 . . . A 129 ASN C . 25768 1 578 . 1 1 129 129 ASN CA C 13 54.18 0.007 . 1 . . . A 129 ASN CA . 25768 1 579 . 1 1 129 129 ASN CB C 13 38.9 0.019 . 1 . . . A 129 ASN CB . 25768 1 580 . 1 1 129 129 ASN N N 15 120.3 0.024 . 1 . . . A 129 ASN N . 25768 1 581 . 1 1 130 130 ARG H H 1 8.05 0.001 . 1 . . . A 130 ARG H . 25768 1 582 . 1 1 130 130 ARG C C 13 176.72 0.007 . 1 . . . A 130 ARG C . 25768 1 583 . 1 1 130 130 ARG CA C 13 57.24 0.006 . 1 . . . A 130 ARG CA . 25768 1 584 . 1 1 130 130 ARG CB C 13 30.5 0.08 . 1 . . . A 130 ARG CB . 25768 1 585 . 1 1 130 130 ARG N N 15 120.63 0.018 . 1 . . . A 130 ARG N . 25768 1 586 . 1 1 131 131 LYS H H 1 8.02 0.0022 . 1 . . . A 131 LYS H . 25768 1 587 . 1 1 131 131 LYS C C 13 176.75 0.0099 . 1 . . . A 131 LYS C . 25768 1 588 . 1 1 131 131 LYS CA C 13 57.05 0.0018 . 1 . . . A 131 LYS CA . 25768 1 589 . 1 1 131 131 LYS CB C 13 32.87 0.001 . 1 . . . A 131 LYS CB . 25768 1 590 . 1 1 131 131 LYS N N 15 121.15 0.033 . 1 . . . A 131 LYS N . 25768 1 591 . 1 1 132 132 ALA H H 1 8.01 0.001 . 1 . . . A 132 ALA H . 25768 1 592 . 1 1 132 132 ALA C C 13 177.68 0.004 . 1 . . . A 132 ALA C . 25768 1 593 . 1 1 132 132 ALA CA C 13 53.07 0.008 . 1 . . . A 132 ALA CA . 25768 1 594 . 1 1 132 132 ALA CB C 13 19.25 0.011 . 1 . . . A 132 ALA CB . 25768 1 595 . 1 1 132 132 ALA N N 15 124.11 0.031 . 1 . . . A 132 ALA N . 25768 1 596 . 1 1 133 133 GLN H H 1 8.07 0.0022 . 1 . . . A 133 GLN H . 25768 1 597 . 1 1 133 133 GLN C C 13 176.38 0.009 . 1 . . . A 133 GLN C . 25768 1 598 . 1 1 133 133 GLN CA C 13 56.4 0.005 . 1 . . . A 133 GLN CA . 25768 1 599 . 1 1 133 133 GLN CB C 13 29.67 0.001 . 1 . . . A 133 GLN CB . 25768 1 600 . 1 1 133 133 GLN N N 15 118.83 0.027 . 1 . . . A 133 GLN N . 25768 1 601 . 1 1 134 134 GLY H H 1 8.15 0.001 . 1 . . . A 134 GLY H . 25768 1 602 . 1 1 134 134 GLY C C 13 174.06 0.0099 . 1 . . . A 134 GLY C . 25768 1 603 . 1 1 134 134 GLY CA C 13 45.69 0.0018 . 1 . . . A 134 GLY CA . 25768 1 604 . 1 1 134 134 GLY N N 15 109.4 0.027 . 1 . . . A 134 GLY N . 25768 1 605 . 1 1 135 135 PHE H H 1 8.06 0.002 . 1 . . . A 135 PHE H . 25768 1 606 . 1 1 135 135 PHE C C 13 176 0.003 . 1 . . . A 135 PHE C . 25768 1 607 . 1 1 135 135 PHE CA C 13 58.37 0.002 . 1 . . . A 135 PHE CA . 25768 1 608 . 1 1 135 135 PHE CB C 13 39.71 0.036 . 1 . . . A 135 PHE CB . 25768 1 609 . 1 1 135 135 PHE N N 15 120.48 0.036 . 1 . . . A 135 PHE N . 25768 1 610 . 1 1 136 136 SER H H 1 8.16 0.001 . 1 . . . A 136 SER H . 25768 1 611 . 1 1 136 136 SER C C 13 174.62 0.0099 . 1 . . . A 136 SER C . 25768 1 612 . 1 1 136 136 SER CA C 13 58.87 0.0018 . 1 . . . A 136 SER CA . 25768 1 613 . 1 1 136 136 SER CB C 13 64.2 0.001 . 1 . . . A 136 SER CB . 25768 1 614 . 1 1 136 136 SER N N 15 116.74 0.039 . 1 . . . A 136 SER N . 25768 1 615 . 1 1 137 137 SER H H 1 8.14 0.0022 . 1 . . . A 137 SER H . 25768 1 616 . 1 1 137 137 SER C C 13 174.41 0.0099 . 1 . . . A 137 SER C . 25768 1 617 . 1 1 137 137 SER CA C 13 58.88 0.0018 . 1 . . . A 137 SER CA . 25768 1 618 . 1 1 137 137 SER CB C 13 64.14 0.001 . 1 . . . A 137 SER CB . 25768 1 619 . 1 1 137 137 SER N N 15 117.65 0.033 . 1 . . . A 137 SER N . 25768 1 620 . 1 1 138 138 MET H H 1 8.11 0.001 . 1 . . . A 138 MET H . 25768 1 621 . 1 1 138 138 MET C C 13 175.68 0.011 . 1 . . . A 138 MET C . 25768 1 622 . 1 1 138 138 MET CA C 13 56.18 0.011 . 1 . . . A 138 MET CA . 25768 1 623 . 1 1 138 138 MET CB C 13 33.24 0.003 . 1 . . . A 138 MET CB . 25768 1 624 . 1 1 138 138 MET N N 15 121.98 0.046 . 1 . . . A 138 MET N . 25768 1 625 . 1 1 139 139 LYS H H 1 8.14 0.001 . 1 . . . A 139 LYS H . 25768 1 626 . 1 1 139 139 LYS C C 13 176.22 0.002 . 1 . . . A 139 LYS C . 25768 1 627 . 1 1 139 139 LYS CA C 13 56.37 0.015 . 1 . . . A 139 LYS CA . 25768 1 628 . 1 1 139 139 LYS CB C 13 33.22 0.004 . 1 . . . A 139 LYS CB . 25768 1 629 . 1 1 139 139 LYS N N 15 122.11 0.026 . 1 . . . A 139 LYS N . 25768 1 630 . 1 1 140 140 LEU H H 1 8.14 0.001 . 1 . . . A 140 LEU H . 25768 1 631 . 1 1 140 140 LEU C C 13 177.1 0.003 . 1 . . . A 140 LEU C . 25768 1 632 . 1 1 140 140 LEU CA C 13 55.71 0.0018 . 1 . . . A 140 LEU CA . 25768 1 633 . 1 1 140 140 LEU CB C 13 42.46 0.001 . 1 . . . A 140 LEU CB . 25768 1 634 . 1 1 140 140 LEU N N 15 123.86 0.033 . 1 . . . A 140 LEU N . 25768 1 635 . 1 1 141 141 GLN H H 1 8.21 0.001 . 1 . . . A 141 GLN H . 25768 1 636 . 1 1 141 141 GLN C C 13 175.17 0.013 . 1 . . . A 141 GLN C . 25768 1 637 . 1 1 141 141 GLN CA C 13 56.2 0.002 . 1 . . . A 141 GLN CA . 25768 1 638 . 1 1 141 141 GLN CB C 13 29.95 0.009 . 1 . . . A 141 GLN CB . 25768 1 639 . 1 1 141 141 GLN N N 15 120.35 0.051 . 1 . . . A 141 GLN N . 25768 1 640 . 1 1 142 142 ASP H H 1 8.12 0.001 . 1 . . . A 142 ASP H . 25768 1 641 . 1 1 142 142 ASP C C 13 175.84 0.034 . 1 . . . A 142 ASP C . 25768 1 642 . 1 1 142 142 ASP CA C 13 54.7 0.001 . 1 . . . A 142 ASP CA . 25768 1 643 . 1 1 142 142 ASP CB C 13 41.76 0.013 . 1 . . . A 142 ASP CB . 25768 1 644 . 1 1 142 142 ASP N N 15 120.95 0.036 . 1 . . . A 142 ASP N . 25768 1 645 . 1 1 143 143 SER H H 1 7.96 0.001 . 1 . . . A 143 SER H . 25768 1 646 . 1 1 143 143 SER C C 13 173.29 0.0099 . 1 . . . A 143 SER C . 25768 1 647 . 1 1 143 143 SER CA C 13 58.45 0.0018 . 1 . . . A 143 SER CA . 25768 1 648 . 1 1 143 143 SER CB C 13 64.76 0.001 . 1 . . . A 143 SER CB . 25768 1 649 . 1 1 143 143 SER N N 15 114.88 0.019 . 1 . . . A 143 SER N . 25768 1 650 . 1 1 144 144 TRP H H 1 8.08 0.0022 . 1 . . . A 144 TRP H . 25768 1 651 . 1 1 144 144 TRP C C 13 175.88 0.0099 . 1 . . . A 144 TRP C . 25768 1 652 . 1 1 144 144 TRP CA C 13 56.42 0.0018 . 1 . . . A 144 TRP CA . 25768 1 653 . 1 1 144 144 TRP CB C 13 31.16 0.001 . 1 . . . A 144 TRP CB . 25768 1 654 . 1 1 144 144 TRP N N 15 123.11 0.033 . 1 . . . A 144 TRP N . 25768 1 655 . 1 1 145 145 GLY H H 1 8.66 0.067 . 1 . . . A 145 GLY H . 25768 1 656 . 1 1 145 145 GLY C C 13 172.87 0.0099 . 1 . . . A 145 GLY C . 25768 1 657 . 1 1 145 145 GLY CA C 13 45.13 0.0018 . 1 . . . A 145 GLY CA . 25768 1 658 . 1 1 145 145 GLY N N 15 110.41 0.112 . 1 . . . A 145 GLY N . 25768 1 659 . 1 1 148 148 GLY C C 13 171.8 0.0099 . 1 . . . A 148 GLY C . 25768 1 660 . 1 1 148 148 GLY CA C 13 44.14 0.0018 . 1 . . . A 148 GLY CA . 25768 1 661 . 1 1 149 149 GLU H H 1 8.55 0.003 . 1 . . . A 149 GLU H . 25768 1 662 . 1 1 149 149 GLU C C 13 174.21 0.0099 . 1 . . . A 149 GLU C . 25768 1 663 . 1 1 149 149 GLU CA C 13 55.12 0.016 . 1 . . . A 149 GLU CA . 25768 1 664 . 1 1 149 149 GLU CB C 13 37.41 0.014 . 1 . . . A 149 GLU CB . 25768 1 665 . 1 1 149 149 GLU N N 15 123.07 0.019 . 1 . . . A 149 GLU N . 25768 1 666 . 1 1 150 150 LEU H H 1 8.55 0.001 . 1 . . . A 150 LEU H . 25768 1 667 . 1 1 150 150 LEU C C 13 174.41 0.0099 . 1 . . . A 150 LEU C . 25768 1 668 . 1 1 150 150 LEU CA C 13 54.26 0.001 . 1 . . . A 150 LEU CA . 25768 1 669 . 1 1 150 150 LEU CB C 13 47.51 0.001 . 1 . . . A 150 LEU CB . 25768 1 670 . 1 1 150 150 LEU N N 15 126.13 0.024 . 1 . . . A 150 LEU N . 25768 1 671 . 1 1 151 151 GLY H H 1 8.09 0.001 . 1 . . . A 151 GLY H . 25768 1 672 . 1 1 151 151 GLY C C 13 170.61 0.023 . 1 . . . A 151 GLY C . 25768 1 673 . 1 1 151 151 GLY CA C 13 45.98 0.013 . 1 . . . A 151 GLY CA . 25768 1 674 . 1 1 151 151 GLY N N 15 109.5 0.032 . 1 . . . A 151 GLY N . 25768 1 675 . 1 1 152 152 PHE H H 1 8.38 0.003 . 1 . . . A 152 PHE H . 25768 1 676 . 1 1 152 152 PHE C C 13 171.51 0.01 . 1 . . . A 152 PHE C . 25768 1 677 . 1 1 152 152 PHE CA C 13 58.17 0.003 . 1 . . . A 152 PHE CA . 25768 1 678 . 1 1 152 152 PHE CB C 13 41.69 0.006 . 1 . . . A 152 PHE CB . 25768 1 679 . 1 1 152 152 PHE N N 15 110.96 0.02 . 1 . . . A 152 PHE N . 25768 1 680 . 1 1 153 153 ASP H H 1 7.97 0.001 . 1 . . . A 153 ASP H . 25768 1 681 . 1 1 153 153 ASP C C 13 176.52 0.002 . 1 . . . A 153 ASP C . 25768 1 682 . 1 1 153 153 ASP CA C 13 52.94 0.009 . 1 . . . A 153 ASP CA . 25768 1 683 . 1 1 153 153 ASP CB C 13 44.54 0.001 . 1 . . . A 153 ASP CB . 25768 1 684 . 1 1 153 153 ASP N N 15 118.88 0.024 . 1 . . . A 153 ASP N . 25768 1 685 . 1 1 154 154 TYR H H 1 9.73 0.001 . 1 . . . A 154 TYR H . 25768 1 686 . 1 1 154 154 TYR C C 13 175.61 0.013 . 1 . . . A 154 TYR C . 25768 1 687 . 1 1 154 154 TYR CA C 13 57.31 0.004 . 1 . . . A 154 TYR CA . 25768 1 688 . 1 1 154 154 TYR CB C 13 42.04 0.003 . 1 . . . A 154 TYR CB . 25768 1 689 . 1 1 154 154 TYR N N 15 123.63 0.026 . 1 . . . A 154 TYR N . 25768 1 690 . 1 1 155 155 MET H H 1 8.6 0.001 . 1 . . . A 155 MET H . 25768 1 691 . 1 1 155 155 MET C C 13 174.97 0.0099 . 1 . . . A 155 MET C . 25768 1 692 . 1 1 155 155 MET CA C 13 54.72 0.001 . 1 . . . A 155 MET CA . 25768 1 693 . 1 1 155 155 MET CB C 13 28.3 0.025 . 1 . . . A 155 MET CB . 25768 1 694 . 1 1 155 155 MET N N 15 126.19 0.028 . 1 . . . A 155 MET N . 25768 1 695 . 1 1 156 156 LEU H H 1 9.19 0.001 . 1 . . . A 156 LEU H . 25768 1 696 . 1 1 156 156 LEU C C 13 177.68 0.0099 . 1 . . . A 156 LEU C . 25768 1 697 . 1 1 156 156 LEU CA C 13 56.04 0.006 . 1 . . . A 156 LEU CA . 25768 1 698 . 1 1 156 156 LEU CB C 13 43.04 0.026 . 1 . . . A 156 LEU CB . 25768 1 699 . 1 1 156 156 LEU N N 15 125.29 0.028 . 1 . . . A 156 LEU N . 25768 1 700 . 1 1 157 157 ASN H H 1 8.06 0.001 . 1 . . . A 157 ASN H . 25768 1 701 . 1 1 157 157 ASN C C 13 173.64 0.013 . 1 . . . A 157 ASN C . 25768 1 702 . 1 1 157 157 ASN CA C 13 52.65 0.01 . 1 . . . A 157 ASN CA . 25768 1 703 . 1 1 157 157 ASN CB C 13 37.27 0.017 . 1 . . . A 157 ASN CB . 25768 1 704 . 1 1 157 157 ASN N N 15 114.69 0.042 . 1 . . . A 157 ASN N . 25768 1 705 . 1 1 158 158 GLU H H 1 8.56 0.002 . 1 . . . A 158 GLU H . 25768 1 706 . 1 1 158 158 GLU C C 13 176.09 0.002 . 1 . . . A 158 GLU C . 25768 1 707 . 1 1 158 158 GLU CA C 13 60.01 0.001 . 1 . . . A 158 GLU CA . 25768 1 708 . 1 1 158 158 GLU CB C 13 29.73 0.011 . 1 . . . A 158 GLU CB . 25768 1 709 . 1 1 158 158 GLU N N 15 114.53 0.024 . 1 . . . A 158 GLU N . 25768 1 710 . 1 1 159 159 HIS H H 1 8.19 0.002 . 1 . . . A 159 HIS H . 25768 1 711 . 1 1 159 159 HIS C C 13 173.13 0.012 . 1 . . . A 159 HIS C . 25768 1 712 . 1 1 159 159 HIS CA C 13 56.77 0.003 . 1 . . . A 159 HIS CA . 25768 1 713 . 1 1 159 159 HIS CB C 13 32.63 0.021 . 1 . . . A 159 HIS CB . 25768 1 714 . 1 1 159 159 HIS N N 15 110.48 0.016 . 1 . . . A 159 HIS N . 25768 1 715 . 1 1 160 160 ALA H H 1 8.4 0.001 . 1 . . . A 160 ALA H . 25768 1 716 . 1 1 160 160 ALA C C 13 176.2 0.002 . 1 . . . A 160 ALA C . 25768 1 717 . 1 1 160 160 ALA CA C 13 51.73 0.003 . 1 . . . A 160 ALA CA . 25768 1 718 . 1 1 160 160 ALA CB C 13 21.56 0.006 . 1 . . . A 160 ALA CB . 25768 1 719 . 1 1 160 160 ALA N N 15 122.89 0.047 . 1 . . . A 160 ALA N . 25768 1 720 . 1 1 161 161 LEU H H 1 8.59 0.001 . 1 . . . A 161 LEU H . 25768 1 721 . 1 1 161 161 LEU C C 13 174.93 0.007 . 1 . . . A 161 LEU C . 25768 1 722 . 1 1 161 161 LEU CA C 13 54.28 0.003 . 1 . . . A 161 LEU CA . 25768 1 723 . 1 1 161 161 LEU CB C 13 45.64 0.008 . 1 . . . A 161 LEU CB . 25768 1 724 . 1 1 161 161 LEU N N 15 116.54 0.029 . 1 . . . A 161 LEU N . 25768 1 725 . 1 1 162 162 PHE H H 1 9.18 0.002 . 1 . . . A 162 PHE H . 25768 1 726 . 1 1 162 162 PHE C C 13 171.96 0.011 . 1 . . . A 162 PHE C . 25768 1 727 . 1 1 162 162 PHE CA C 13 56.42 0.004 . 1 . . . A 162 PHE CA . 25768 1 728 . 1 1 162 162 PHE CB C 13 43.34 0.018 . 1 . . . A 162 PHE CB . 25768 1 729 . 1 1 162 162 PHE N N 15 121.78 0.03 . 1 . . . A 162 PHE N . 25768 1 730 . 1 1 163 163 ASN H H 1 7.7 0.0022 . 1 . . . A 163 ASN H . 25768 1 731 . 1 1 163 163 ASN C C 13 171.32 0.011 . 1 . . . A 163 ASN C . 25768 1 732 . 1 1 163 163 ASN CA C 13 52.34 0.0018 . 1 . . . A 163 ASN CA . 25768 1 733 . 1 1 163 163 ASN CB C 13 46.41 0.017 . 1 . . . A 163 ASN CB . 25768 1 734 . 1 1 163 163 ASN N N 15 127.85 0.042 . 1 . . . A 163 ASN N . 25768 1 735 . 1 1 164 164 MET H H 1 7.07 0.001 . 1 . . . A 164 MET H . 25768 1 736 . 1 1 164 164 MET C C 13 172.83 0.0099 . 1 . . . A 164 MET C . 25768 1 737 . 1 1 164 164 MET CA C 13 55.18 0.0018 . 1 . . . A 164 MET CA . 25768 1 738 . 1 1 164 164 MET CB C 13 37.77 0.001 . 1 . . . A 164 MET CB . 25768 1 739 . 1 1 164 164 MET N N 15 119.95 0.026 . 1 . . . A 164 MET N . 25768 1 740 . 1 1 165 165 ALA H H 1 8.29 0.0022 . 1 . . . A 165 ALA H . 25768 1 741 . 1 1 165 165 ALA C C 13 174.24 0.0099 . 1 . . . A 165 ALA C . 25768 1 742 . 1 1 165 165 ALA CA C 13 51.63 0.0018 . 1 . . . A 165 ALA CA . 25768 1 743 . 1 1 165 165 ALA CB C 13 22.33 0.001 . 1 . . . A 165 ALA CB . 25768 1 744 . 1 1 165 165 ALA N N 15 120.6 0.033 . 1 . . . A 165 ALA N . 25768 1 745 . 1 1 166 166 VAL H H 1 8.72 0.003 . 1 . . . A 166 VAL H . 25768 1 746 . 1 1 166 166 VAL C C 13 172.95 0.0099 . 1 . . . A 166 VAL C . 25768 1 747 . 1 1 166 166 VAL CA C 13 59.71 0.0018 . 1 . . . A 166 VAL CA . 25768 1 748 . 1 1 166 166 VAL CB C 13 35.29 0.001 . 1 . . . A 166 VAL CB . 25768 1 749 . 1 1 166 166 VAL N N 15 117.9 0.067 . 1 . . . A 166 VAL N . 25768 1 750 . 1 1 171 171 ILE C C 13 175.75 0.0099 . 1 . . . A 171 ILE C . 25768 1 751 . 1 1 171 171 ILE CA C 13 61.72 0.015 . 1 . . . A 171 ILE CA . 25768 1 752 . 1 1 171 171 ILE CB C 13 39.3 0.001 . 1 . . . A 171 ILE CB . 25768 1 753 . 1 1 172 172 ASP H H 1 8.46 0.002 . 1 . . . A 172 ASP H . 25768 1 754 . 1 1 172 172 ASP C C 13 176.59 0.0099 . 1 . . . A 172 ASP C . 25768 1 755 . 1 1 172 172 ASP CA C 13 54.46 0.022 . 1 . . . A 172 ASP CA . 25768 1 756 . 1 1 172 172 ASP CB C 13 41.41 0.001 . 1 . . . A 172 ASP CB . 25768 1 757 . 1 1 172 172 ASP N N 15 124.07 0.019 . 1 . . . A 172 ASP N . 25768 1 758 . 1 1 173 173 THR H H 1 8.08 0.002 . 1 . . . A 173 THR H . 25768 1 759 . 1 1 173 173 THR C C 13 175.03 0.003 . 1 . . . A 173 THR C . 25768 1 760 . 1 1 173 173 THR CA C 13 62.68 0.017 . 1 . . . A 173 THR CA . 25768 1 761 . 1 1 173 173 THR CB C 13 69.84 0.011 . 1 . . . A 173 THR CB . 25768 1 762 . 1 1 173 173 THR N N 15 115.57 0.042 . 1 . . . A 173 THR N . 25768 1 763 . 1 1 174 174 LYS H H 1 8.18 0.001 . 1 . . . A 174 LYS H . 25768 1 764 . 1 1 174 174 LYS C C 13 176.34 0.01 . 1 . . . A 174 LYS C . 25768 1 765 . 1 1 174 174 LYS CA C 13 56.82 0.037 . 1 . . . A 174 LYS CA . 25768 1 766 . 1 1 174 174 LYS CB C 13 32.79 0.018 . 1 . . . A 174 LYS CB . 25768 1 767 . 1 1 174 174 LYS N N 15 122.68 0.051 . 1 . . . A 174 LYS N . 25768 1 768 . 1 1 175 175 ALA H H 1 8.05 0.001 . 1 . . . A 175 ALA H . 25768 1 769 . 1 1 175 175 ALA C C 13 177.55 0.0099 . 1 . . . A 175 ALA C . 25768 1 770 . 1 1 175 175 ALA CA C 13 52.84 0.011 . 1 . . . A 175 ALA CA . 25768 1 771 . 1 1 175 175 ALA CB C 13 19.58 0.001 . 1 . . . A 175 ALA CB . 25768 1 772 . 1 1 175 175 ALA N N 15 124.05 0.033 . 1 . . . A 175 ALA N . 25768 1 773 . 1 1 176 176 SER H H 1 8.07 0.001 . 1 . . . A 176 SER H . 25768 1 774 . 1 1 176 176 SER C C 13 174.24 0.0099 . 1 . . . A 176 SER C . 25768 1 775 . 1 1 176 176 SER CA C 13 58.39 0.011 . 1 . . . A 176 SER CA . 25768 1 776 . 1 1 176 176 SER CB C 13 64.37 0.001 . 1 . . . A 176 SER CB . 25768 1 777 . 1 1 176 176 SER N N 15 114.92 0.043 . 1 . . . A 176 SER N . 25768 1 778 . 1 1 177 177 ILE H H 1 7.96 0.0022 . 1 . . . A 177 ILE H . 25768 1 779 . 1 1 177 177 ILE C C 13 174.99 0.007 . 1 . . . A 177 ILE C . 25768 1 780 . 1 1 177 177 ILE CA C 13 61.57 0.011 . 1 . . . A 177 ILE CA . 25768 1 781 . 1 1 177 177 ILE CB C 13 39.1 0.019 . 1 . . . A 177 ILE CB . 25768 1 782 . 1 1 177 177 ILE N N 15 121.65 0.034 . 1 . . . A 177 ILE N . 25768 1 783 . 1 1 178 178 ASN H H 1 7.85 0.0022 . 1 . . . A 178 ASN H . 25768 1 784 . 1 1 178 178 ASN C C 13 179.16 0.0099 . 1 . . . A 178 ASN C . 25768 1 785 . 1 1 178 178 ASN CA C 13 55.1 0.0018 . 1 . . . A 178 ASN CA . 25768 1 786 . 1 1 178 178 ASN CB C 13 41.3 0.001 . 1 . . . A 178 ASN CB . 25768 1 787 . 1 1 178 178 ASN N N 15 127.04 0.022 . 1 . . . A 178 ASN N . 25768 1 788 . 1 1 180 180 PRO C C 13 177.52 0.0099 . 1 . . . A 180 PRO C . 25768 1 789 . 1 1 180 180 PRO CA C 13 63.98 0.0018 . 1 . . . A 180 PRO CA . 25768 1 790 . 1 1 180 180 PRO CB C 13 32.19 0.001 . 1 . . . A 180 PRO CB . 25768 1 791 . 1 1 181 181 SER H H 1 8.26 0.001 . 1 . . . A 181 SER H . 25768 1 792 . 1 1 181 181 SER C C 13 174.71 0.0099 . 1 . . . A 181 SER C . 25768 1 793 . 1 1 181 181 SER CA C 13 58.9 0.006 . 1 . . . A 181 SER CA . 25768 1 794 . 1 1 181 181 SER CB C 13 64.07 0.012 . 1 . . . A 181 SER CB . 25768 1 795 . 1 1 181 181 SER N N 15 115.6 0.048 . 1 . . . A 181 SER N . 25768 1 796 . 1 1 182 182 ALA H H 1 8.13 0.002 . 1 . . . A 182 ALA H . 25768 1 797 . 1 1 182 182 ALA C C 13 177.56 0.0099 . 1 . . . A 182 ALA C . 25768 1 798 . 1 1 182 182 ALA CA C 13 53.09 0.003 . 1 . . . A 182 ALA CA . 25768 1 799 . 1 1 182 182 ALA CB C 13 19.31 0.009 . 1 . . . A 182 ALA CB . 25768 1 800 . 1 1 182 182 ALA N N 15 125.88 0.041 . 1 . . . A 182 ALA N . 25768 1 801 . 1 1 183 183 LEU H H 1 7.94 0.001 . 1 . . . A 183 LEU H . 25768 1 802 . 1 1 183 183 LEU C C 13 177.85 0.001 . 1 . . . A 183 LEU C . 25768 1 803 . 1 1 183 183 LEU CA C 13 55.65 0.003 . 1 . . . A 183 LEU CA . 25768 1 804 . 1 1 183 183 LEU CB C 13 42.53 0.001 . 1 . . . A 183 LEU CB . 25768 1 805 . 1 1 183 183 LEU N N 15 119.98 0.028 . 1 . . . A 183 LEU N . 25768 1 806 . 1 1 184 184 GLY H H 1 8.15 0.001 . 1 . . . A 184 GLY H . 25768 1 807 . 1 1 184 184 GLY C C 13 174.25 0.0099 . 1 . . . A 184 GLY C . 25768 1 808 . 1 1 184 184 GLY CA C 13 45.83 0.032 . 1 . . . A 184 GLY CA . 25768 1 809 . 1 1 184 184 GLY N N 15 109.25 0.069 . 1 . . . A 184 GLY N . 25768 1 810 . 1 1 185 185 VAL H H 1 7.76 0.001 . 1 . . . A 185 VAL H . 25768 1 811 . 1 1 185 185 VAL C C 13 175.89 0.001 . 1 . . . A 185 VAL C . 25768 1 812 . 1 1 185 185 VAL CA C 13 62.74 0.002 . 1 . . . A 185 VAL CA . 25768 1 813 . 1 1 185 185 VAL CB C 13 32.77 0.013 . 1 . . . A 185 VAL CB . 25768 1 814 . 1 1 185 185 VAL N N 15 118.83 0.036 . 1 . . . A 185 VAL N . 25768 1 815 . 1 1 186 186 ASN H H 1 8.38 0.001 . 1 . . . A 186 ASN H . 25768 1 816 . 1 1 186 186 ASN C C 13 174.97 0.007 . 1 . . . A 186 ASN C . 25768 1 817 . 1 1 186 186 ASN CA C 13 53.59 0.003 . 1 . . . A 186 ASN CA . 25768 1 818 . 1 1 186 186 ASN CB C 13 39.16 0.017 . 1 . . . A 186 ASN CB . 25768 1 819 . 1 1 186 186 ASN N N 15 121.85 0.026 . 1 . . . A 186 ASN N . 25768 1 820 . 1 1 187 187 LYS H H 1 8.14 0.001 . 1 . . . A 187 LYS H . 25768 1 821 . 1 1 187 187 LYS C C 13 176.49 0.006 . 1 . . . A 187 LYS C . 25768 1 822 . 1 1 187 187 LYS CA C 13 56.75 0.001 . 1 . . . A 187 LYS CA . 25768 1 823 . 1 1 187 187 LYS CB C 13 33.25 0.001 . 1 . . . A 187 LYS CB . 25768 1 824 . 1 1 187 187 LYS N N 15 122.12 0.031 . 1 . . . A 187 LYS N . 25768 1 825 . 1 1 188 188 THR H H 1 8.1 0.001 . 1 . . . A 188 THR H . 25768 1 826 . 1 1 188 188 THR C C 13 174.25 0.002 . 1 . . . A 188 THR C . 25768 1 827 . 1 1 188 188 THR CA C 13 62.36 0.001 . 1 . . . A 188 THR CA . 25768 1 828 . 1 1 188 188 THR CB C 13 70.28 0.008 . 1 . . . A 188 THR CB . 25768 1 829 . 1 1 188 188 THR N N 15 115.25 0.013 . 1 . . . A 188 THR N . 25768 1 830 . 1 1 189 189 LYS H H 1 8.11 0.001 . 1 . . . A 189 LYS H . 25768 1 831 . 1 1 189 189 LYS C C 13 176.09 0.001 . 1 . . . A 189 LYS C . 25768 1 832 . 1 1 189 189 LYS CA C 13 56.59 0.012 . 1 . . . A 189 LYS CA . 25768 1 833 . 1 1 189 189 LYS CB C 13 33.35 0.007 . 1 . . . A 189 LYS CB . 25768 1 834 . 1 1 189 189 LYS N N 15 123.78 0.036 . 1 . . . A 189 LYS N . 25768 1 835 . 1 1 190 190 VAL H H 1 8.04 0.001 . 1 . . . A 190 VAL H . 25768 1 836 . 1 1 190 190 VAL C C 13 175.59 0.017 . 1 . . . A 190 VAL C . 25768 1 837 . 1 1 190 190 VAL CA C 13 62.4 0.0018 . 1 . . . A 190 VAL CA . 25768 1 838 . 1 1 190 190 VAL CB C 13 32.99 0.001 . 1 . . . A 190 VAL CB . 25768 1 839 . 1 1 190 190 VAL N N 15 120.92 0.051 . 1 . . . A 190 VAL N . 25768 1 840 . 1 1 191 191 ASP H H 1 8.24 0.002 . 1 . . . A 191 ASP H . 25768 1 841 . 1 1 191 191 ASP C C 13 175.75 0.0099 . 1 . . . A 191 ASP C . 25768 1 842 . 1 1 191 191 ASP CA C 13 54.65 0.005 . 1 . . . A 191 ASP CA . 25768 1 843 . 1 1 191 191 ASP CB C 13 41.45 0.004 . 1 . . . A 191 ASP CB . 25768 1 844 . 1 1 191 191 ASP N N 15 123.79 0.025 . 1 . . . A 191 ASP N . 25768 1 845 . 1 1 192 192 VAL H H 1 7.86 0.001 . 1 . . . A 192 VAL H . 25768 1 846 . 1 1 192 192 VAL C C 13 175.38 0.003 . 1 . . . A 192 VAL C . 25768 1 847 . 1 1 192 192 VAL CA C 13 62.11 0.003 . 1 . . . A 192 VAL CA . 25768 1 848 . 1 1 192 192 VAL CB C 13 33.29 0.027 . 1 . . . A 192 VAL CB . 25768 1 849 . 1 1 192 192 VAL N N 15 118.85 0.017 . 1 . . . A 192 VAL N . 25768 1 850 . 1 1 193 193 ASP H H 1 8.31 0.001 . 1 . . . A 193 ASP H . 25768 1 851 . 1 1 193 193 ASP C C 13 175.63 0.0099 . 1 . . . A 193 ASP C . 25768 1 852 . 1 1 193 193 ASP CA C 13 54.54 0.01 . 1 . . . A 193 ASP CA . 25768 1 853 . 1 1 193 193 ASP CB C 13 41.41 0.003 . 1 . . . A 193 ASP CB . 25768 1 854 . 1 1 193 193 ASP N N 15 124.19 0.042 . 1 . . . A 193 ASP N . 25768 1 855 . 1 1 194 194 VAL H H 1 7.89 0.001 . 1 . . . A 194 VAL H . 25768 1 856 . 1 1 194 194 VAL C C 13 174.95 0.001 . 1 . . . A 194 VAL C . 25768 1 857 . 1 1 194 194 VAL CA C 13 61.77 0.005 . 1 . . . A 194 VAL CA . 25768 1 858 . 1 1 194 194 VAL CB C 13 33.68 0.007 . 1 . . . A 194 VAL CB . 25768 1 859 . 1 1 194 194 VAL N N 15 119.58 0.074 . 1 . . . A 194 VAL N . 25768 1 860 . 1 1 195 195 ASP H H 1 8.41 0.001 . 1 . . . A 195 ASP H . 25768 1 861 . 1 1 195 195 ASP C C 13 174.29 0.0099 . 1 . . . A 195 ASP C . 25768 1 862 . 1 1 195 195 ASP CA C 13 51.94 0.0018 . 1 . . . A 195 ASP CA . 25768 1 863 . 1 1 195 195 ASP CB C 13 40.95 0.001 . 1 . . . A 195 ASP CB . 25768 1 864 . 1 1 195 195 ASP N N 15 125.66 0.012 . 1 . . . A 195 ASP N . 25768 1 865 . 1 1 198 198 VAL C C 13 173.94 0.0099 . 1 . . . A 198 VAL C . 25768 1 866 . 1 1 198 198 VAL CA C 13 61.27 0.0018 . 1 . . . A 198 VAL CA . 25768 1 867 . 1 1 198 198 VAL CB C 13 35.91 0.001 . 1 . . . A 198 VAL CB . 25768 1 868 . 1 1 199 199 TYR H H 1 8.54 0.002 . 1 . . . A 199 TYR H . 25768 1 869 . 1 1 199 199 TYR C C 13 174.15 0.0099 . 1 . . . A 199 TYR C . 25768 1 870 . 1 1 199 199 TYR CA C 13 56.22 0.012 . 1 . . . A 199 TYR CA . 25768 1 871 . 1 1 199 199 TYR CB C 13 41.66 0.048 . 1 . . . A 199 TYR CB . 25768 1 872 . 1 1 199 199 TYR N N 15 123.78 0.097 . 1 . . . A 199 TYR N . 25768 1 873 . 1 1 200 200 MET H H 1 9.13 0.003 . 1 . . . A 200 MET H . 25768 1 874 . 1 1 200 200 MET C C 13 173.81 0.021 . 1 . . . A 200 MET C . 25768 1 875 . 1 1 200 200 MET CA C 13 54.71 0.034 . 1 . . . A 200 MET CA . 25768 1 876 . 1 1 200 200 MET CB C 13 37.11 0.001 . 1 . . . A 200 MET CB . 25768 1 877 . 1 1 200 200 MET N N 15 123.92 0.046 . 1 . . . A 200 MET N . 25768 1 878 . 1 1 201 201 ILE H H 1 8.03 0.002 . 1 . . . A 201 ILE H . 25768 1 879 . 1 1 201 201 ILE C C 13 174.03 0.0099 . 1 . . . A 201 ILE C . 25768 1 880 . 1 1 201 201 ILE CA C 13 59.82 0.005 . 1 . . . A 201 ILE CA . 25768 1 881 . 1 1 201 201 ILE CB C 13 41.72 0.001 . 1 . . . A 201 ILE CB . 25768 1 882 . 1 1 201 201 ILE N N 15 123.67 0.01 . 1 . . . A 201 ILE N . 25768 1 883 . 1 1 202 202 GLY H H 1 8.58 0.0022 . 1 . . . A 202 GLY H . 25768 1 884 . 1 1 202 202 GLY C C 13 170.28 0.002 . 1 . . . A 202 GLY C . 25768 1 885 . 1 1 202 202 GLY CA C 13 46.8 0.007 . 1 . . . A 202 GLY CA . 25768 1 886 . 1 1 202 202 GLY N N 15 112.91 0.023 . 1 . . . A 202 GLY N . 25768 1 887 . 1 1 203 203 PHE H H 1 8.62 0.001 . 1 . . . A 203 PHE H . 25768 1 888 . 1 1 203 203 PHE C C 13 173.94 0.01 . 1 . . . A 203 PHE C . 25768 1 889 . 1 1 203 203 PHE CA C 13 55.89 0.001 . 1 . . . A 203 PHE CA . 25768 1 890 . 1 1 203 203 PHE CB C 13 45.06 0.007 . 1 . . . A 203 PHE CB . 25768 1 891 . 1 1 203 203 PHE N N 15 116.24 0.026 . 1 . . . A 203 PHE N . 25768 1 892 . 1 1 204 204 GLY H H 1 8.96 0.002 . 1 . . . A 204 GLY H . 25768 1 893 . 1 1 204 204 GLY C C 13 171.19 0.006 . 1 . . . A 204 GLY C . 25768 1 894 . 1 1 204 204 GLY CA C 13 46.72 0.002 . 1 . . . A 204 GLY CA . 25768 1 895 . 1 1 204 204 GLY N N 15 105.61 0.021 . 1 . . . A 204 GLY N . 25768 1 896 . 1 1 205 205 TYR H H 1 9.38 0.001 . 1 . . . A 205 TYR H . 25768 1 897 . 1 1 205 205 TYR C C 13 173.03 0.01 . 1 . . . A 205 TYR C . 25768 1 898 . 1 1 205 205 TYR CA C 13 57.19 0.001 . 1 . . . A 205 TYR CA . 25768 1 899 . 1 1 205 205 TYR CB C 13 44.4 0.002 . 1 . . . A 205 TYR CB . 25768 1 900 . 1 1 205 205 TYR N N 15 121.16 0.024 . 1 . . . A 205 TYR N . 25768 1 901 . 1 1 206 206 LYS H H 1 8.38 0.0022 . 1 . . . A 206 LYS H . 25768 1 902 . 1 1 206 206 LYS C C 13 174.21 0.0099 . 1 . . . A 206 LYS C . 25768 1 903 . 1 1 206 206 LYS CA C 13 54.77 0.005 . 1 . . . A 206 LYS CA . 25768 1 904 . 1 1 206 206 LYS CB C 13 34.44 0.001 . 1 . . . A 206 LYS CB . 25768 1 905 . 1 1 206 206 LYS N N 15 126.97 0.02 . 1 . . . A 206 LYS N . 25768 1 906 . 1 1 207 207 PHE H H 1 9.29 0.002 . 1 . . . A 207 PHE H . 25768 1 907 . 1 1 207 207 PHE C C 13 175.02 0.003 . 1 . . . A 207 PHE C . 25768 1 908 . 1 1 207 207 PHE CA C 13 58.17 0.006 . 1 . . . A 207 PHE CA . 25768 1 909 . 1 1 207 207 PHE CB C 13 40.92 0.034 . 1 . . . A 207 PHE CB . 25768 1 910 . 1 1 207 207 PHE N N 15 126.33 0.046 . 1 . . . A 207 PHE N . 25768 1 911 . 1 1 208 208 LEU H H 1 8.31 0.002 . 1 . . . A 208 LEU H . 25768 1 912 . 1 1 208 208 LEU C C 13 176.51 0.003 . 1 . . . A 208 LEU C . 25768 1 913 . 1 1 208 208 LEU CA C 13 54.91 0.008 . 1 . . . A 208 LEU CA . 25768 1 914 . 1 1 208 208 LEU CB C 13 43.83 0.004 . 1 . . . A 208 LEU CB . 25768 1 915 . 1 1 208 208 LEU N N 15 122.74 0.083 . 1 . . . A 208 LEU N . 25768 1 916 . 1 1 209 209 GLU H H 1 8.44 0.001 . 1 . . . A 209 GLU H . 25768 1 917 . 1 1 209 209 GLU C C 13 176.24 0.0099 . 1 . . . A 209 GLU C . 25768 1 918 . 1 1 209 209 GLU CA C 13 56.91 0.0018 . 1 . . . A 209 GLU CA . 25768 1 919 . 1 1 209 209 GLU CB C 13 30.69 0.001 . 1 . . . A 209 GLU CB . 25768 1 920 . 1 1 209 209 GLU N N 15 121.79 0.023 . 1 . . . A 209 GLU N . 25768 1 stop_ save_