data_19343 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19343 _Entry.Title ; SOLUTION STRUCTURE OF OPA60 FROM N. GONORRHOEAE ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; Old values: _Entry.Assigned_PDB_ID 2MAF _Entry.Assigned_PDB_deposition_code RCSB103410 ; _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 Linda Columbus . . . 19343 2 Daniel Fox . A. . 19343 3 Per Larsson . . . 19343 4 Ryan Lo . H. . 19343 5 Brett Kroncke . M. . 19343 6 Peter Kasson . M. . 19343 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' . 19343 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BETA-BARREL . 19343 'MEMBRANE PROTEIN' . 19343 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19343 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 106 19343 '13C chemical shifts' 316 19343 '15N chemical shifts' 106 19343 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 3 . . 2014-08-13 2013-07-08 update author 'update assignments' 19343 2 . . 2014-08-05 2013-07-08 update author 'update assignments' 19343 1 . . 2014-06-23 2013-07-08 original author 'original release' 19343 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MLH 'BMRB Entry Tracking System' 19343 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 19343 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24813921 _Citation.Full_citation . _Citation.Title 'Structure of the Neisserial Outer Membrane Protein Opa60: Loop Flexibility Essential to Receptor Recognition and Bacterial Engulfment' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Linda Columbus . . . 19343 1 2 Daniel Fox . A. . 19343 1 3 Per Larsson . . . 19343 1 4 Ryan Lo . H. . 19343 1 5 Brett Kroncke . M. . 19343 1 6 Peter Kasson . M. . 19343 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19343 _Assembly.ID 1 _Assembly.Name 'OPA60 FROM N. GONORRHOEAE' _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 'OPA60 FROM N. GONORRHOEAE' 1 $OPA60 A . yes native no no . . . 19343 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OPA60 _Entity.Sf_category entity _Entity.Sf_framecode OPA60 _Entity.Entry_ID 19343 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OPA60 _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 ; ASEDGGRGPYVQADLAYAYE HITHDYPEPTAPNKNKISTV SDYFRNIRTRSVHPRVSVGY DFGGWRIAADYARYRKWNNN KYSVNIENVRIRKENGIRID RKTENQENGTFHAVSSLGLS AIYDFQINDKFKPYIGARVA YGHVRHSIDSTKKTIEVTTV PSNAPNGAVTTYNTDPKTQN DYQSNSIRRVGLGVIAGVGF DITPKLTLDAGYRYHNWGRL ENTRFKTHEASLGVRYRF ; _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 238 _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 26655.883 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MAF . "Solution Structure Of Opa60 From N. Gonorrhoeae" . . . . . 100.00 238 100.00 100.00 1.33e-172 . . . . 19343 1 2 no PDB 2MLH . "Nmr Solution Structure Of Opa60 From N. Gonorrhoeae In Fc-12 Micelles" . . . . . 100.00 238 100.00 100.00 1.33e-172 . . . . 19343 1 3 no EMBL CAA43121 . "opaH v18 [Neisseria gonorrhoeae]" . . . . . 98.32 239 99.57 100.00 1.32e-169 . . . . 19343 1 4 no EMBL CAA79372 . "outer membrane protein [Neisseria gonorrhoeae]" . . . . . 100.00 238 100.00 100.00 1.33e-172 . . . . 19343 1 5 no GB AGU84980 . "opacity protein [Neisseria gonorrhoeae MS11]" . . . . . 95.80 228 99.12 100.00 4.20e-164 . . . . 19343 1 6 no REF WP_017147145 . "opacity-associated protein [Neisseria gonorrhoeae]" . . . . . 95.80 228 99.12 100.00 4.20e-164 . . . . 19343 1 7 no SP Q04884 . "RecName: Full=Opacity protein opA60; Flags: Precursor, partial [Neisseria gonorrhoeae]" . . . . . 100.00 238 100.00 100.00 1.33e-172 . . . . 19343 1 stop_ 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 . ALA . 19343 1 2 . SER . 19343 1 3 . GLU . 19343 1 4 . ASP . 19343 1 5 . GLY . 19343 1 6 . GLY . 19343 1 7 . ARG . 19343 1 8 . GLY . 19343 1 9 . PRO . 19343 1 10 . TYR . 19343 1 11 . VAL . 19343 1 12 . GLN . 19343 1 13 . ALA . 19343 1 14 . ASP . 19343 1 15 . LEU . 19343 1 16 . ALA . 19343 1 17 . TYR . 19343 1 18 . ALA . 19343 1 19 . TYR . 19343 1 20 . GLU . 19343 1 21 . HIS . 19343 1 22 . ILE . 19343 1 23 . THR . 19343 1 24 . HIS . 19343 1 25 . ASP . 19343 1 26 . TYR . 19343 1 27 . PRO . 19343 1 28 . GLU . 19343 1 29 . PRO . 19343 1 30 . THR . 19343 1 31 . ALA . 19343 1 32 . PRO . 19343 1 33 . ASN . 19343 1 34 . LYS . 19343 1 35 . ASN . 19343 1 36 . LYS . 19343 1 37 . ILE . 19343 1 38 . SER . 19343 1 39 . THR . 19343 1 40 . VAL . 19343 1 41 . SER . 19343 1 42 . ASP . 19343 1 43 . TYR . 19343 1 44 . PHE . 19343 1 45 . ARG . 19343 1 46 . ASN . 19343 1 47 . ILE . 19343 1 48 . ARG . 19343 1 49 . THR . 19343 1 50 . ARG . 19343 1 51 . SER . 19343 1 52 . VAL . 19343 1 53 . HIS . 19343 1 54 . PRO . 19343 1 55 . ARG . 19343 1 56 . VAL . 19343 1 57 . SER . 19343 1 58 . VAL . 19343 1 59 . GLY . 19343 1 60 . TYR . 19343 1 61 . ASP . 19343 1 62 . PHE . 19343 1 63 . GLY . 19343 1 64 . GLY . 19343 1 65 . TRP . 19343 1 66 . ARG . 19343 1 67 . ILE . 19343 1 68 . ALA . 19343 1 69 . ALA . 19343 1 70 . ASP . 19343 1 71 . TYR . 19343 1 72 . ALA . 19343 1 73 . ARG . 19343 1 74 . TYR . 19343 1 75 . ARG . 19343 1 76 . LYS . 19343 1 77 . TRP . 19343 1 78 . ASN . 19343 1 79 . ASN . 19343 1 80 . ASN . 19343 1 81 . LYS . 19343 1 82 . TYR . 19343 1 83 . SER . 19343 1 84 . VAL . 19343 1 85 . ASN . 19343 1 86 . ILE . 19343 1 87 . GLU . 19343 1 88 . ASN . 19343 1 89 . VAL . 19343 1 90 . ARG . 19343 1 91 . ILE . 19343 1 92 . ARG . 19343 1 93 . LYS . 19343 1 94 . GLU . 19343 1 95 . ASN . 19343 1 96 . GLY . 19343 1 97 . ILE . 19343 1 98 . ARG . 19343 1 99 . ILE . 19343 1 100 . ASP . 19343 1 101 . ARG . 19343 1 102 . LYS . 19343 1 103 . THR . 19343 1 104 . GLU . 19343 1 105 . ASN . 19343 1 106 . GLN . 19343 1 107 . GLU . 19343 1 108 . ASN . 19343 1 109 . GLY . 19343 1 110 . THR . 19343 1 111 . PHE . 19343 1 112 . HIS . 19343 1 113 . ALA . 19343 1 114 . VAL . 19343 1 115 . SER . 19343 1 116 . SER . 19343 1 117 . LEU . 19343 1 118 . GLY . 19343 1 119 . LEU . 19343 1 120 . SER . 19343 1 121 . ALA . 19343 1 122 . ILE . 19343 1 123 . TYR . 19343 1 124 . ASP . 19343 1 125 . PHE . 19343 1 126 . GLN . 19343 1 127 . ILE . 19343 1 128 . ASN . 19343 1 129 . ASP . 19343 1 130 . LYS . 19343 1 131 . PHE . 19343 1 132 . LYS . 19343 1 133 . PRO . 19343 1 134 . TYR . 19343 1 135 . ILE . 19343 1 136 . GLY . 19343 1 137 . ALA . 19343 1 138 . ARG . 19343 1 139 . VAL . 19343 1 140 . ALA . 19343 1 141 . TYR . 19343 1 142 . GLY . 19343 1 143 . HIS . 19343 1 144 . VAL . 19343 1 145 . ARG . 19343 1 146 . HIS . 19343 1 147 . SER . 19343 1 148 . ILE . 19343 1 149 . ASP . 19343 1 150 . SER . 19343 1 151 . THR . 19343 1 152 . LYS . 19343 1 153 . LYS . 19343 1 154 . THR . 19343 1 155 . ILE . 19343 1 156 . GLU . 19343 1 157 . VAL . 19343 1 158 . THR . 19343 1 159 . THR . 19343 1 160 . VAL . 19343 1 161 . PRO . 19343 1 162 . SER . 19343 1 163 . ASN . 19343 1 164 . ALA . 19343 1 165 . PRO . 19343 1 166 . ASN . 19343 1 167 . GLY . 19343 1 168 . ALA . 19343 1 169 . VAL . 19343 1 170 . THR . 19343 1 171 . THR . 19343 1 172 . TYR . 19343 1 173 . ASN . 19343 1 174 . THR . 19343 1 175 . ASP . 19343 1 176 . PRO . 19343 1 177 . LYS . 19343 1 178 . THR . 19343 1 179 . GLN . 19343 1 180 . ASN . 19343 1 181 . ASP . 19343 1 182 . TYR . 19343 1 183 . GLN . 19343 1 184 . SER . 19343 1 185 . ASN . 19343 1 186 . SER . 19343 1 187 . ILE . 19343 1 188 . ARG . 19343 1 189 . ARG . 19343 1 190 . VAL . 19343 1 191 . GLY . 19343 1 192 . LEU . 19343 1 193 . GLY . 19343 1 194 . VAL . 19343 1 195 . ILE . 19343 1 196 . ALA . 19343 1 197 . GLY . 19343 1 198 . VAL . 19343 1 199 . GLY . 19343 1 200 . PHE . 19343 1 201 . ASP . 19343 1 202 . ILE . 19343 1 203 . THR . 19343 1 204 . PRO . 19343 1 205 . LYS . 19343 1 206 . LEU . 19343 1 207 . THR . 19343 1 208 . LEU . 19343 1 209 . ASP . 19343 1 210 . ALA . 19343 1 211 . GLY . 19343 1 212 . TYR . 19343 1 213 . ARG . 19343 1 214 . TYR . 19343 1 215 . HIS . 19343 1 216 . ASN . 19343 1 217 . TRP . 19343 1 218 . GLY . 19343 1 219 . ARG . 19343 1 220 . LEU . 19343 1 221 . GLU . 19343 1 222 . ASN . 19343 1 223 . THR . 19343 1 224 . ARG . 19343 1 225 . PHE . 19343 1 226 . LYS . 19343 1 227 . THR . 19343 1 228 . HIS . 19343 1 229 . GLU . 19343 1 230 . ALA . 19343 1 231 . SER . 19343 1 232 . LEU . 19343 1 233 . GLY . 19343 1 234 . VAL . 19343 1 235 . ARG . 19343 1 236 . TYR . 19343 1 237 . ARG . 19343 1 238 . PHE . 19343 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 . ALA 1 1 19343 1 . SER 2 2 19343 1 . GLU 3 3 19343 1 . ASP 4 4 19343 1 . GLY 5 5 19343 1 . GLY 6 6 19343 1 . ARG 7 7 19343 1 . GLY 8 8 19343 1 . PRO 9 9 19343 1 . TYR 10 10 19343 1 . VAL 11 11 19343 1 . GLN 12 12 19343 1 . ALA 13 13 19343 1 . ASP 14 14 19343 1 . LEU 15 15 19343 1 . ALA 16 16 19343 1 . TYR 17 17 19343 1 . ALA 18 18 19343 1 . TYR 19 19 19343 1 . GLU 20 20 19343 1 . HIS 21 21 19343 1 . ILE 22 22 19343 1 . THR 23 23 19343 1 . HIS 24 24 19343 1 . ASP 25 25 19343 1 . TYR 26 26 19343 1 . PRO 27 27 19343 1 . GLU 28 28 19343 1 . PRO 29 29 19343 1 . THR 30 30 19343 1 . ALA 31 31 19343 1 . PRO 32 32 19343 1 . ASN 33 33 19343 1 . LYS 34 34 19343 1 . ASN 35 35 19343 1 . LYS 36 36 19343 1 . ILE 37 37 19343 1 . SER 38 38 19343 1 . THR 39 39 19343 1 . VAL 40 40 19343 1 . SER 41 41 19343 1 . ASP 42 42 19343 1 . TYR 43 43 19343 1 . PHE 44 44 19343 1 . ARG 45 45 19343 1 . ASN 46 46 19343 1 . ILE 47 47 19343 1 . ARG 48 48 19343 1 . THR 49 49 19343 1 . ARG 50 50 19343 1 . SER 51 51 19343 1 . VAL 52 52 19343 1 . HIS 53 53 19343 1 . PRO 54 54 19343 1 . ARG 55 55 19343 1 . VAL 56 56 19343 1 . SER 57 57 19343 1 . VAL 58 58 19343 1 . GLY 59 59 19343 1 . TYR 60 60 19343 1 . ASP 61 61 19343 1 . PHE 62 62 19343 1 . GLY 63 63 19343 1 . GLY 64 64 19343 1 . TRP 65 65 19343 1 . ARG 66 66 19343 1 . ILE 67 67 19343 1 . ALA 68 68 19343 1 . ALA 69 69 19343 1 . ASP 70 70 19343 1 . TYR 71 71 19343 1 . ALA 72 72 19343 1 . ARG 73 73 19343 1 . TYR 74 74 19343 1 . ARG 75 75 19343 1 . LYS 76 76 19343 1 . TRP 77 77 19343 1 . ASN 78 78 19343 1 . ASN 79 79 19343 1 . ASN 80 80 19343 1 . LYS 81 81 19343 1 . TYR 82 82 19343 1 . SER 83 83 19343 1 . VAL 84 84 19343 1 . ASN 85 85 19343 1 . ILE 86 86 19343 1 . GLU 87 87 19343 1 . ASN 88 88 19343 1 . VAL 89 89 19343 1 . ARG 90 90 19343 1 . ILE 91 91 19343 1 . ARG 92 92 19343 1 . LYS 93 93 19343 1 . GLU 94 94 19343 1 . ASN 95 95 19343 1 . GLY 96 96 19343 1 . ILE 97 97 19343 1 . ARG 98 98 19343 1 . ILE 99 99 19343 1 . ASP 100 100 19343 1 . ARG 101 101 19343 1 . LYS 102 102 19343 1 . THR 103 103 19343 1 . GLU 104 104 19343 1 . ASN 105 105 19343 1 . GLN 106 106 19343 1 . GLU 107 107 19343 1 . ASN 108 108 19343 1 . GLY 109 109 19343 1 . THR 110 110 19343 1 . PHE 111 111 19343 1 . HIS 112 112 19343 1 . ALA 113 113 19343 1 . VAL 114 114 19343 1 . SER 115 115 19343 1 . SER 116 116 19343 1 . LEU 117 117 19343 1 . GLY 118 118 19343 1 . LEU 119 119 19343 1 . SER 120 120 19343 1 . ALA 121 121 19343 1 . ILE 122 122 19343 1 . TYR 123 123 19343 1 . ASP 124 124 19343 1 . PHE 125 125 19343 1 . GLN 126 126 19343 1 . ILE 127 127 19343 1 . ASN 128 128 19343 1 . ASP 129 129 19343 1 . LYS 130 130 19343 1 . PHE 131 131 19343 1 . LYS 132 132 19343 1 . PRO 133 133 19343 1 . TYR 134 134 19343 1 . ILE 135 135 19343 1 . GLY 136 136 19343 1 . ALA 137 137 19343 1 . ARG 138 138 19343 1 . VAL 139 139 19343 1 . ALA 140 140 19343 1 . TYR 141 141 19343 1 . GLY 142 142 19343 1 . HIS 143 143 19343 1 . VAL 144 144 19343 1 . ARG 145 145 19343 1 . HIS 146 146 19343 1 . SER 147 147 19343 1 . ILE 148 148 19343 1 . ASP 149 149 19343 1 . SER 150 150 19343 1 . THR 151 151 19343 1 . LYS 152 152 19343 1 . LYS 153 153 19343 1 . THR 154 154 19343 1 . ILE 155 155 19343 1 . GLU 156 156 19343 1 . VAL 157 157 19343 1 . THR 158 158 19343 1 . THR 159 159 19343 1 . VAL 160 160 19343 1 . PRO 161 161 19343 1 . SER 162 162 19343 1 . ASN 163 163 19343 1 . ALA 164 164 19343 1 . PRO 165 165 19343 1 . ASN 166 166 19343 1 . GLY 167 167 19343 1 . ALA 168 168 19343 1 . VAL 169 169 19343 1 . THR 170 170 19343 1 . THR 171 171 19343 1 . TYR 172 172 19343 1 . ASN 173 173 19343 1 . THR 174 174 19343 1 . ASP 175 175 19343 1 . PRO 176 176 19343 1 . LYS 177 177 19343 1 . THR 178 178 19343 1 . GLN 179 179 19343 1 . ASN 180 180 19343 1 . ASP 181 181 19343 1 . TYR 182 182 19343 1 . GLN 183 183 19343 1 . SER 184 184 19343 1 . ASN 185 185 19343 1 . SER 186 186 19343 1 . ILE 187 187 19343 1 . ARG 188 188 19343 1 . ARG 189 189 19343 1 . VAL 190 190 19343 1 . GLY 191 191 19343 1 . LEU 192 192 19343 1 . GLY 193 193 19343 1 . VAL 194 194 19343 1 . ILE 195 195 19343 1 . ALA 196 196 19343 1 . GLY 197 197 19343 1 . VAL 198 198 19343 1 . GLY 199 199 19343 1 . PHE 200 200 19343 1 . ASP 201 201 19343 1 . ILE 202 202 19343 1 . THR 203 203 19343 1 . PRO 204 204 19343 1 . LYS 205 205 19343 1 . LEU 206 206 19343 1 . THR 207 207 19343 1 . LEU 208 208 19343 1 . ASP 209 209 19343 1 . ALA 210 210 19343 1 . GLY 211 211 19343 1 . TYR 212 212 19343 1 . ARG 213 213 19343 1 . TYR 214 214 19343 1 . HIS 215 215 19343 1 . ASN 216 216 19343 1 . TRP 217 217 19343 1 . GLY 218 218 19343 1 . ARG 219 219 19343 1 . LEU 220 220 19343 1 . GLU 221 221 19343 1 . ASN 222 222 19343 1 . THR 223 223 19343 1 . ARG 224 224 19343 1 . PHE 225 225 19343 1 . LYS 226 226 19343 1 . THR 227 227 19343 1 . HIS 228 228 19343 1 . GLU 229 229 19343 1 . ALA 230 230 19343 1 . SER 231 231 19343 1 . LEU 232 232 19343 1 . GLY 233 233 19343 1 . VAL 234 234 19343 1 . ARG 235 235 19343 1 . TYR 236 236 19343 1 . ARG 237 237 19343 1 . PHE 238 238 19343 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 19343 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OPA60 . 485 organism . 'Neisseria gonorrhoeae' 'Neisseria gonorrhoeae' . . Bacteria . Neisseria gonorrhoeae MS11 . . . . . . . . . . . . . . . opaI . . . . 19343 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 19343 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OPA60 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 19343 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19343 _Sample.ID 1 _Sample.Type micelle _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 OPA60 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $OPA60 . . 800 . . uM 100 . . . 19343 1 2 'Dodecyl Phosphcholine' 'natural abundance' . . . . . . 150 . . mM 10 . . . 19343 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19343 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19343 1 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 19343 _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 temperature 313 . K 19343 1 pH 6.2 . pH 19343 1 pressure 1 . atm 19343 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19343 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.31 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19343 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19343 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19343 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19343 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19343 2 stop_ save_ save_GROMACS _Software.Sf_category software _Software.Sf_framecode GROMACS _Software.Entry_ID 19343 _Software.ID 3 _Software.Name GROMACS _Software.Version 4.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Lindahl . . 19343 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19343 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19343 _Software.ID 4 _Software.Name NMRPipe _Software.Version 7.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19343 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19343 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19343 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19343 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19343 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 19343 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 19343 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19343 _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 1 600_MHz Bruker Avance . 600 Cryoprobe . . 19343 1 2 800_MHz Bruker Avance . 800 Cryoprobe . . 19343 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 19343 _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 HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 2 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 19343 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 19343 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19343 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19343 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19343 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 19343 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 HSQC' . . . 19343 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' . . . 19343 1 'TROSY offset' 'amide nitrogens' . . . 19343 1 '2H isotope effect' 'all 13C' . . . 19343 1 '2H isotope effect' 'all 15N' . . . 19343 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 1 1 ALA H H 1 8.45 0.02 . 1 . . . A 1 ALA H1 . 19343 1 2 . 1 1 1 1 ALA C C 13 178.366 0.3 . 1 . . . A 1 ALA C . 19343 1 3 . 1 1 1 1 ALA CA C 13 52.732 0.3 . 1 . . . A 1 ALA CA . 19343 1 4 . 1 1 1 1 ALA CB C 13 18.62 0.3 . 1 . . . A 1 ALA CB . 19343 1 5 . 1 1 1 1 ALA N N 15 125.12 0.3 . 1 . . . A 1 ALA N . 19343 1 6 . 1 1 2 2 SER H H 1 8.331 0.02 . 1 . . . A 2 SER H . 19343 1 7 . 1 1 2 2 SER C C 13 175.434 0.3 . 1 . . . A 2 SER C . 19343 1 8 . 1 1 2 2 SER CA C 13 58.61 0.3 . 1 . . . A 2 SER CA . 19343 1 9 . 1 1 2 2 SER CB C 13 63.837 0.3 . 1 . . . A 2 SER CB . 19343 1 10 . 1 1 2 2 SER N N 15 114.852 0.3 . 1 . . . A 2 SER N . 19343 1 11 . 1 1 3 3 GLU H H 1 8.593 0.02 . 1 . . . A 3 GLU H . 19343 1 12 . 1 1 3 3 GLU C C 13 177.0 0.3 . 1 . . . A 3 GLU C . 19343 1 13 . 1 1 3 3 GLU CA C 13 56.833 0.3 . 1 . . . A 3 GLU CA . 19343 1 14 . 1 1 3 3 GLU CB C 13 29.05 0.3 . 1 . . . A 3 GLU CB . 19343 1 15 . 1 1 3 3 GLU N N 15 122.794 0.3 . 1 . . . A 3 GLU N . 19343 1 16 . 1 1 4 4 ASP H H 1 8.366 0.02 . 1 . . . A 4 ASP H . 19343 1 17 . 1 1 4 4 ASP C C 13 177.663 0.3 . 1 . . . A 4 ASP C . 19343 1 18 . 1 1 4 4 ASP CA C 13 56.351 0.3 . 1 . . . A 4 ASP CA . 19343 1 19 . 1 1 4 4 ASP CB C 13 40.904 0.3 . 1 . . . A 4 ASP CB . 19343 1 20 . 1 1 4 4 ASP N N 15 120.891 0.3 . 1 . . . A 4 ASP N . 19343 1 21 . 1 1 5 5 GLY H H 1 8.55 0.02 . 1 . . . A 5 GLY H . 19343 1 22 . 1 1 5 5 GLY C C 13 175.521 0.3 . 1 . . . A 5 GLY C . 19343 1 23 . 1 1 5 5 GLY CA C 13 45.33 0.3 . 1 . . . A 5 GLY CA . 19343 1 24 . 1 1 5 5 GLY N N 15 110.851 0.3 . 1 . . . A 5 GLY N . 19343 1 25 . 1 1 6 6 GLY H H 1 8.449 0.02 . 1 . . . A 6 GLY H . 19343 1 26 . 1 1 6 6 GLY C C 13 173.807 0.3 . 1 . . . A 6 GLY C . 19343 1 27 . 1 1 6 6 GLY CA C 13 45.575 0.3 . 1 . . . A 6 GLY CA . 19343 1 28 . 1 1 6 6 GLY N N 15 109.418 0.3 . 1 . . . A 6 GLY N . 19343 1 29 . 1 1 7 7 ARG H H 1 7.581 0.02 . 1 . . . A 7 ARG H . 19343 1 30 . 1 1 7 7 ARG C C 13 177.151 0.3 . 1 . . . A 7 ARG C . 19343 1 31 . 1 1 7 7 ARG CA C 13 55.066 0.3 . 1 . . . A 7 ARG CA . 19343 1 32 . 1 1 7 7 ARG CB C 13 31.412 0.3 . 1 . . . A 7 ARG CB . 19343 1 33 . 1 1 7 7 ARG N N 15 117.808 0.3 . 1 . . . A 7 ARG N . 19343 1 34 . 1 1 8 8 GLY H H 1 8.297 0.02 . 1 . . . A 8 GLY H . 19343 1 35 . 1 1 8 8 GLY CA C 13 44.677 0.3 . 1 . . . A 8 GLY CA . 19343 1 36 . 1 1 8 8 GLY N N 15 109.915 0.3 . 1 . . . A 8 GLY N . 19343 1 37 . 1 1 9 9 PRO C C 13 175.944 0.3 . 1 . . . A 9 PRO C . 19343 1 38 . 1 1 9 9 PRO CA C 13 62.38 0.3 . 1 . . . A 9 PRO CA . 19343 1 39 . 1 1 9 9 PRO CB C 13 32.521 0.3 . 1 . . . A 9 PRO CB . 19343 1 40 . 1 1 10 10 TYR H H 1 8.847 0.02 . 1 . . . A 10 TYR H . 19343 1 41 . 1 1 10 10 TYR C C 13 173.151 0.3 . 1 . . . A 10 TYR C . 19343 1 42 . 1 1 10 10 TYR CA C 13 56.647 0.3 . 1 . . . A 10 TYR CA . 19343 1 43 . 1 1 10 10 TYR CB C 13 41.002 0.3 . 1 . . . A 10 TYR CB . 19343 1 44 . 1 1 10 10 TYR N N 15 115.969 0.3 . 1 . . . A 10 TYR N . 19343 1 45 . 1 1 11 11 VAL H H 1 8.882 0.02 . 1 . . . A 11 VAL H . 19343 1 46 . 1 1 11 11 VAL C C 13 174.053 0.3 . 1 . . . A 11 VAL C . 19343 1 47 . 1 1 11 11 VAL CA C 13 59.14 0.3 . 1 . . . A 11 VAL CA . 19343 1 48 . 1 1 11 11 VAL CB C 13 34.77 0.3 . 1 . . . A 11 VAL CB . 19343 1 49 . 1 1 11 11 VAL N N 15 114.755 0.3 . 1 . . . A 11 VAL N . 19343 1 50 . 1 1 12 12 GLN H H 1 9.252 0.02 . 1 . . . A 12 GLN H . 19343 1 51 . 1 1 12 12 GLN C C 13 174.087 0.3 . 1 . . . A 12 GLN C . 19343 1 52 . 1 1 12 12 GLN CA C 13 54.194 0.3 . 1 . . . A 12 GLN CA . 19343 1 53 . 1 1 12 12 GLN CB C 13 31.644 0.3 . 1 . . . A 12 GLN CB . 19343 1 54 . 1 1 12 12 GLN N N 15 126.391 0.3 . 1 . . . A 12 GLN N . 19343 1 55 . 1 1 13 13 ALA H H 1 8.692 0.02 . 1 . . . A 13 ALA H . 19343 1 56 . 1 1 13 13 ALA C C 13 174.387 0.3 . 1 . . . A 13 ALA C . 19343 1 57 . 1 1 13 13 ALA CA C 13 50.805 0.3 . 1 . . . A 13 ALA CA . 19343 1 58 . 1 1 13 13 ALA CB C 13 20.76 0.3 . 1 . . . A 13 ALA CB . 19343 1 59 . 1 1 13 13 ALA N N 15 127.788 0.3 . 1 . . . A 13 ALA N . 19343 1 60 . 1 1 14 14 ASP H H 1 9.041 0.02 . 1 . . . A 14 ASP H . 19343 1 61 . 1 1 14 14 ASP C C 13 176.1 0.3 . 1 . . . A 14 ASP C . 19343 1 62 . 1 1 14 14 ASP CA C 13 52.875 0.3 . 1 . . . A 14 ASP CA . 19343 1 63 . 1 1 14 14 ASP CB C 13 45.821 0.3 . 1 . . . A 14 ASP CB . 19343 1 64 . 1 1 14 14 ASP N N 15 118.37 0.3 . 1 . . . A 14 ASP N . 19343 1 65 . 1 1 29 29 PRO C C 13 177.686 0.3 . 1 . . . A 29 PRO C . 19343 1 66 . 1 1 29 29 PRO CA C 13 63.798 0.3 . 1 . . . A 29 PRO CA . 19343 1 67 . 1 1 29 29 PRO CB C 13 28.501 0.02 . 1 . . . A 29 PRO CB . 19343 1 68 . 1 1 30 30 THR H H 1 8.25 0.02 . 1 . . . A 30 THR H . 19343 1 69 . 1 1 30 30 THR C C 13 174.747 0.3 . 1 . . . A 30 THR C . 19343 1 70 . 1 1 30 30 THR CA C 13 61.999 0.3 . 1 . . . A 30 THR CA . 19343 1 71 . 1 1 30 30 THR CB C 13 69.429 0.3 . 1 . . . A 30 THR CB . 19343 1 72 . 1 1 30 30 THR N N 15 114.503 0.3 . 1 . . . A 30 THR N . 19343 1 73 . 1 1 31 31 ALA H H 1 8.313 0.02 . 1 . . . A 31 ALA H . 19343 1 74 . 1 1 31 31 ALA C C 13 176.44 0.3 . 1 . . . A 31 ALA C . 19343 1 75 . 1 1 31 31 ALA CA C 13 50.66 0.3 . 1 . . . A 31 ALA CA . 19343 1 76 . 1 1 31 31 ALA CB C 13 17.524 0.3 . 1 . . . A 31 ALA CB . 19343 1 77 . 1 1 31 31 ALA N N 15 127.406 0.3 . 1 . . . A 31 ALA N . 19343 1 78 . 1 1 51 51 SER H H 1 8.2 0.02 . 1 . . . A 51 SER H . 19343 1 79 . 1 1 51 51 SER C C 13 174.792 0.3 . 1 . . . A 51 SER C . 19343 1 80 . 1 1 51 51 SER CA C 13 61.751 0.3 . 1 . . . A 51 SER CA . 19343 1 81 . 1 1 51 51 SER CB C 13 69.538 0.3 . 1 . . . A 51 SER CB . 19343 1 82 . 1 1 51 51 SER N N 15 113.737 0.3 . 1 . . . A 51 SER N . 19343 1 83 . 1 1 52 52 VAL H H 1 8.226 0.02 . 1 . . . A 52 VAL H . 19343 1 84 . 1 1 52 52 VAL C C 13 175.153 0.3 . 1 . . . A 52 VAL C . 19343 1 85 . 1 1 52 52 VAL CA C 13 59.798 0.3 . 1 . . . A 52 VAL CA . 19343 1 86 . 1 1 52 52 VAL CB C 13 31.878 0.3 . 1 . . . A 52 VAL CB . 19343 1 87 . 1 1 52 52 VAL N N 15 123.687 0.3 . 1 . . . A 52 VAL N . 19343 1 88 . 1 1 57 57 SER H H 1 9.29 0.02 . 1 . . . A 57 SER H . 19343 1 89 . 1 1 57 57 SER C C 13 173.257 0.3 . 1 . . . A 57 SER C . 19343 1 90 . 1 1 57 57 SER CA C 13 57.391 0.3 . 1 . . . A 57 SER CA . 19343 1 91 . 1 1 57 57 SER CB C 13 66.123 0.3 . 1 . . . A 57 SER CB . 19343 1 92 . 1 1 57 57 SER N N 15 117.736 0.3 . 1 . . . A 57 SER N . 19343 1 93 . 1 1 58 58 VAL H H 1 8.892 0.02 . 1 . . . A 58 VAL H . 19343 1 94 . 1 1 58 58 VAL C C 13 174.287 0.3 . 1 . . . A 58 VAL C . 19343 1 95 . 1 1 58 58 VAL CA C 13 60.05 0.3 . 1 . . . A 58 VAL CA . 19343 1 96 . 1 1 58 58 VAL CB C 13 33.997 0.3 . 1 . . . A 58 VAL CB . 19343 1 97 . 1 1 58 58 VAL N N 15 120.059 0.3 . 1 . . . A 58 VAL N . 19343 1 98 . 1 1 59 59 GLY H H 1 8.165 0.02 . 1 . . . A 59 GLY H . 19343 1 99 . 1 1 59 59 GLY C C 13 171.019 0.3 . 1 . . . A 59 GLY C . 19343 1 100 . 1 1 59 59 GLY CA C 13 45.571 0.3 . 1 . . . A 59 GLY CA . 19343 1 101 . 1 1 59 59 GLY N N 15 111.967 0.3 . 1 . . . A 59 GLY N . 19343 1 102 . 1 1 60 60 TYR H H 1 9.124 0.02 . 1 . . . A 60 TYR H . 19343 1 103 . 1 1 60 60 TYR C C 13 173.063 0.3 . 1 . . . A 60 TYR C . 19343 1 104 . 1 1 60 60 TYR CA C 13 58.122 0.3 . 1 . . . A 60 TYR CA . 19343 1 105 . 1 1 60 60 TYR CB C 13 42.79 0.3 . 1 . . . A 60 TYR CB . 19343 1 106 . 1 1 60 60 TYR N N 15 119.581 0.3 . 1 . . . A 60 TYR N . 19343 1 107 . 1 1 61 61 ASP H H 1 8.173 0.02 . 1 . . . A 61 ASP H . 19343 1 108 . 1 1 61 61 ASP C C 13 175.411 0.3 . 1 . . . A 61 ASP C . 19343 1 109 . 1 1 61 61 ASP CA C 13 52.492 0.3 . 1 . . . A 61 ASP CA . 19343 1 110 . 1 1 61 61 ASP CB C 13 41.851 0.3 . 1 . . . A 61 ASP CB . 19343 1 111 . 1 1 61 61 ASP N N 15 127.261 0.3 . 1 . . . A 61 ASP N . 19343 1 112 . 1 1 62 62 PHE H H 1 9.084 0.02 . 1 . . . A 62 PHE H . 19343 1 113 . 1 1 62 62 PHE C C 13 176.679 0.3 . 1 . . . A 62 PHE C . 19343 1 114 . 1 1 62 62 PHE CA C 13 59.644 0.3 . 1 . . . A 62 PHE CA . 19343 1 115 . 1 1 62 62 PHE CB C 13 38.241 0.3 . 1 . . . A 62 PHE CB . 19343 1 116 . 1 1 62 62 PHE N N 15 122.821 0.3 . 1 . . . A 62 PHE N . 19343 1 117 . 1 1 63 63 GLY H H 1 9.6 0.02 . 1 . . . A 63 GLY H . 19343 1 118 . 1 1 63 63 GLY C C 13 174.776 0.3 . 1 . . . A 63 GLY C . 19343 1 119 . 1 1 63 63 GLY CA C 13 46.663 0.3 . 1 . . . A 63 GLY CA . 19343 1 120 . 1 1 63 63 GLY N N 15 113.407 0.3 . 1 . . . A 63 GLY N . 19343 1 121 . 1 1 64 64 GLY H H 1 8.986 0.02 . 1 . . . A 64 GLY H . 19343 1 122 . 1 1 64 64 GLY C C 13 172.481 0.3 . 1 . . . A 64 GLY C . 19343 1 123 . 1 1 64 64 GLY CA C 13 45.674 0.3 . 1 . . . A 64 GLY CA . 19343 1 124 . 1 1 64 64 GLY N N 15 114.349 0.3 . 1 . . . A 64 GLY N . 19343 1 125 . 1 1 65 65 TRP H H 1 7.569 0.02 . 1 . . . A 65 TRP H . 19343 1 126 . 1 1 65 65 TRP C C 13 175.076 0.3 . 1 . . . A 65 TRP C . 19343 1 127 . 1 1 65 65 TRP CA C 13 55.987 0.3 . 1 . . . A 65 TRP CA . 19343 1 128 . 1 1 65 65 TRP CB C 13 30.499 0.3 . 1 . . . A 65 TRP CB . 19343 1 129 . 1 1 65 65 TRP N N 15 116.89 0.3 . 1 . . . A 65 TRP N . 19343 1 130 . 1 1 66 66 ARG H H 1 9.936 0.02 . 1 . . . A 66 ARG H . 19343 1 131 . 1 1 66 66 ARG C C 13 175.595 0.3 . 1 . . . A 66 ARG C . 19343 1 132 . 1 1 66 66 ARG CA C 13 55.166 0.3 . 1 . . . A 66 ARG CA . 19343 1 133 . 1 1 66 66 ARG CB C 13 34.96 0.3 . 1 . . . A 66 ARG CB . 19343 1 134 . 1 1 66 66 ARG N N 15 119.274 0.3 . 1 . . . A 66 ARG N . 19343 1 135 . 1 1 67 67 ILE H H 1 8.47 0.02 . 1 . . . A 67 ILE H . 19343 1 136 . 1 1 67 67 ILE C C 13 175.118 0.3 . 1 . . . A 67 ILE C . 19343 1 137 . 1 1 67 67 ILE CA C 13 58.77 0.3 . 1 . . . A 67 ILE CA . 19343 1 138 . 1 1 67 67 ILE CB C 13 40.542 0.3 . 1 . . . A 67 ILE CB . 19343 1 139 . 1 1 67 67 ILE N N 15 118.386 0.3 . 1 . . . A 67 ILE N . 19343 1 140 . 1 1 68 68 ALA H H 1 8.66 0.02 . 1 . . . A 68 ALA H . 19343 1 141 . 1 1 68 68 ALA C C 13 177.247 0.3 . 1 . . . A 68 ALA C . 19343 1 142 . 1 1 68 68 ALA CA C 13 51.727 0.3 . 1 . . . A 68 ALA CA . 19343 1 143 . 1 1 68 68 ALA CB C 13 22.036 0.3 . 1 . . . A 68 ALA CB . 19343 1 144 . 1 1 68 68 ALA N N 15 124.102 0.3 . 1 . . . A 68 ALA N . 19343 1 145 . 1 1 69 69 ALA H H 1 9.572 0.02 . 1 . . . A 69 ALA H . 19343 1 146 . 1 1 69 69 ALA C C 13 176.223 0.3 . 1 . . . A 69 ALA C . 19343 1 147 . 1 1 69 69 ALA CA C 13 49.95 0.3 . 1 . . . A 69 ALA CA . 19343 1 148 . 1 1 69 69 ALA CB C 13 20.171 0.3 . 1 . . . A 69 ALA CB . 19343 1 149 . 1 1 69 69 ALA N N 15 128.725 0.3 . 1 . . . A 69 ALA N . 19343 1 150 . 1 1 70 70 ASP H H 1 9.475 0.02 . 1 . . . A 70 ASP H . 19343 1 151 . 1 1 70 70 ASP C C 13 174.034 0.3 . 1 . . . A 70 ASP C . 19343 1 152 . 1 1 70 70 ASP CA C 13 52.369 0.3 . 1 . . . A 70 ASP CA . 19343 1 153 . 1 1 70 70 ASP CB C 13 45.779 0.3 . 1 . . . A 70 ASP CB . 19343 1 154 . 1 1 70 70 ASP N N 15 118.233 0.3 . 1 . . . A 70 ASP N . 19343 1 155 . 1 1 71 71 TYR H H 1 9.243 0.02 . 1 . . . A 71 TYR H . 19343 1 156 . 1 1 71 71 TYR C C 13 173.769 0.3 . 1 . . . A 71 TYR C . 19343 1 157 . 1 1 71 71 TYR CA C 13 57.126 0.3 . 1 . . . A 71 TYR CA . 19343 1 158 . 1 1 71 71 TYR N N 15 118.228 0.3 . 1 . . . A 71 TYR N . 19343 1 159 . 1 1 95 95 ASN H H 1 8.393 0.02 . 1 . . . A 95 ASN H . 19343 1 160 . 1 1 95 95 ASN C C 13 177.514 0.3 . 1 . . . A 95 ASN C . 19343 1 161 . 1 1 95 95 ASN CA C 13 54.591 0.3 . 1 . . . A 95 ASN CA . 19343 1 162 . 1 1 95 95 ASN CB C 13 40.573 0.3 . 1 . . . A 95 ASN CB . 19343 1 163 . 1 1 95 95 ASN N N 15 119.591 0.3 . 1 . . . A 95 ASN N . 19343 1 164 . 1 1 96 96 GLY H H 1 8.34 0.02 . 1 . . . A 96 GLY H . 19343 1 165 . 1 1 96 96 GLY C C 13 174.697 0.3 . 1 . . . A 96 GLY C . 19343 1 166 . 1 1 96 96 GLY CA C 13 45.615 0.3 . 1 . . . A 96 GLY CA . 19343 1 167 . 1 1 96 96 GLY N N 15 109.334 0.3 . 1 . . . A 96 GLY N . 19343 1 168 . 1 1 97 97 ILE H H 1 8.003 0.02 . 1 . . . A 97 ILE H . 19343 1 169 . 1 1 97 97 ILE CA C 13 61.288 0.3 . 1 . . . A 97 ILE CA . 19343 1 170 . 1 1 97 97 ILE N N 15 119.953 0.3 . 1 . . . A 97 ILE N . 19343 1 171 . 1 1 109 109 GLY H H 1 8.315 0.02 . 1 . . . A 109 GLY H . 19343 1 172 . 1 1 109 109 GLY C C 13 174.875 0.3 . 1 . . . A 109 GLY C . 19343 1 173 . 1 1 109 109 GLY CA C 13 45.433 0.3 . 1 . . . A 109 GLY CA . 19343 1 174 . 1 1 109 109 GLY N N 15 114.84 0.3 . 1 . . . A 109 GLY N . 19343 1 175 . 1 1 110 110 THR H H 1 8.282 0.02 . 1 . . . A 110 THR H . 19343 1 176 . 1 1 110 110 THR C C 13 175.334 0.3 . 1 . . . A 110 THR C . 19343 1 177 . 1 1 110 110 THR CA C 13 58.642 0.3 . 1 . . . A 110 THR CA . 19343 1 178 . 1 1 110 110 THR CB C 13 63.947 0.3 . 1 . . . A 110 THR CB . 19343 1 179 . 1 1 110 110 THR N N 15 115.92 0.3 . 1 . . . A 110 THR N . 19343 1 180 . 1 1 118 118 GLY H H 1 9.424 0.02 . 1 . . . A 118 GLY H . 19343 1 181 . 1 1 118 118 GLY C C 13 171.826 0.3 . 1 . . . A 118 GLY C . 19343 1 182 . 1 1 118 118 GLY CA C 13 44.29 0.3 . 1 . . . A 118 GLY CA . 19343 1 183 . 1 1 118 118 GLY N N 15 115.009 0.3 . 1 . . . A 118 GLY N . 19343 1 184 . 1 1 119 119 LEU H H 1 9.181 0.02 . 1 . . . A 119 LEU H . 19343 1 185 . 1 1 119 119 LEU C C 13 175.499 0.3 . 1 . . . A 119 LEU C . 19343 1 186 . 1 1 119 119 LEU CA C 13 54.018 0.3 . 1 . . . A 119 LEU CA . 19343 1 187 . 1 1 119 119 LEU CB C 13 45.572 0.3 . 1 . . . A 119 LEU CB . 19343 1 188 . 1 1 119 119 LEU N N 15 119.633 0.3 . 1 . . . A 119 LEU N . 19343 1 189 . 1 1 120 120 SER H H 1 9.152 0.02 . 1 . . . A 120 SER H . 19343 1 190 . 1 1 120 120 SER C C 13 173.046 0.3 . 1 . . . A 120 SER C . 19343 1 191 . 1 1 120 120 SER CA C 13 57.454 0.3 . 1 . . . A 120 SER CA . 19343 1 192 . 1 1 120 120 SER CB C 13 65.655 0.3 . 1 . . . A 120 SER CB . 19343 1 193 . 1 1 120 120 SER N N 15 118.198 0.3 . 1 . . . A 120 SER N . 19343 1 194 . 1 1 121 121 ALA H H 1 8.726 0.02 . 1 . . . A 121 ALA H . 19343 1 195 . 1 1 121 121 ALA C C 13 176.277 0.3 . 1 . . . A 121 ALA C . 19343 1 196 . 1 1 121 121 ALA CA C 13 50.935 0.3 . 1 . . . A 121 ALA CA . 19343 1 197 . 1 1 121 121 ALA CB C 13 20.3 0.3 . 1 . . . A 121 ALA CB . 19343 1 198 . 1 1 121 121 ALA N N 15 125.527 0.3 . 1 . . . A 121 ALA N . 19343 1 199 . 1 1 122 122 ILE H H 1 9.499 0.02 . 1 . . . A 122 ILE H . 19343 1 200 . 1 1 122 122 ILE C C 13 173.875 0.3 . 1 . . . A 122 ILE C . 19343 1 201 . 1 1 122 122 ILE CA C 13 61.257 0.3 . 1 . . . A 122 ILE CA . 19343 1 202 . 1 1 122 122 ILE CB C 13 41.973 0.3 . 1 . . . A 122 ILE CB . 19343 1 203 . 1 1 122 122 ILE N N 15 121.964 0.3 . 1 . . . A 122 ILE N . 19343 1 204 . 1 1 123 123 TYR H H 1 9.576 0.02 . 1 . . . A 123 TYR H . 19343 1 205 . 1 1 123 123 TYR C C 13 174.052 0.3 . 1 . . . A 123 TYR C . 19343 1 206 . 1 1 123 123 TYR CA C 13 57.492 0.3 . 1 . . . A 123 TYR CA . 19343 1 207 . 1 1 123 123 TYR CB C 13 41.416 0.3 . 1 . . . A 123 TYR CB . 19343 1 208 . 1 1 123 123 TYR N N 15 128.727 0.3 . 1 . . . A 123 TYR N . 19343 1 209 . 1 1 124 124 ASP H H 1 7.767 0.02 . 1 . . . A 124 ASP H . 19343 1 210 . 1 1 124 124 ASP C C 13 175.217 0.3 . 1 . . . A 124 ASP C . 19343 1 211 . 1 1 124 124 ASP CA C 13 53.534 0.3 . 1 . . . A 124 ASP CA . 19343 1 212 . 1 1 124 124 ASP CB C 13 43.131 0.3 . 1 . . . A 124 ASP CB . 19343 1 213 . 1 1 124 124 ASP N N 15 125.662 0.3 . 1 . . . A 124 ASP N . 19343 1 214 . 1 1 125 125 PHE H H 1 9.213 0.02 . 1 . . . A 125 PHE H . 19343 1 215 . 1 1 125 125 PHE C C 13 176.347 0.3 . 1 . . . A 125 PHE C . 19343 1 216 . 1 1 125 125 PHE CA C 13 57.665 0.3 . 1 . . . A 125 PHE CA . 19343 1 217 . 1 1 125 125 PHE CB C 13 39.719 0.3 . 1 . . . A 125 PHE CB . 19343 1 218 . 1 1 125 125 PHE N N 15 121.435 0.3 . 1 . . . A 125 PHE N . 19343 1 219 . 1 1 126 126 GLN H H 1 8.929 0.02 . 1 . . . A 126 GLN H . 19343 1 220 . 1 1 126 126 GLN C C 13 176.717 0.3 . 1 . . . A 126 GLN C . 19343 1 221 . 1 1 126 126 GLN CA C 13 55.054 0.3 . 1 . . . A 126 GLN CA . 19343 1 222 . 1 1 126 126 GLN CB C 13 27.334 0.3 . 1 . . . A 126 GLN CB . 19343 1 223 . 1 1 126 126 GLN N N 15 122.72 0.3 . 1 . . . A 126 GLN N . 19343 1 224 . 1 1 127 127 ILE H H 1 8.267 0.02 . 1 . . . A 127 ILE H . 19343 1 225 . 1 1 127 127 ILE C C 13 175.87 0.3 . 1 . . . A 127 ILE C . 19343 1 226 . 1 1 127 127 ILE CA C 13 61.837 0.3 . 1 . . . A 127 ILE CA . 19343 1 227 . 1 1 127 127 ILE CB C 13 37.631 0.3 . 1 . . . A 127 ILE CB . 19343 1 228 . 1 1 127 127 ILE N N 15 120.01 0.3 . 1 . . . A 127 ILE N . 19343 1 229 . 1 1 128 128 ASN H H 1 8.342 0.02 . 1 . . . A 128 ASN H . 19343 1 230 . 1 1 128 128 ASN C C 13 174.334 0.3 . 1 . . . A 128 ASN C . 19343 1 231 . 1 1 128 128 ASN CA C 13 53.316 0.3 . 1 . . . A 128 ASN CA . 19343 1 232 . 1 1 128 128 ASN CB C 13 39.409 0.3 . 1 . . . A 128 ASN CB . 19343 1 233 . 1 1 128 128 ASN N N 15 118.359 0.3 . 1 . . . A 128 ASN N . 19343 1 234 . 1 1 129 129 ASP H H 1 8.632 0.02 . 1 . . . A 129 ASP H . 19343 1 235 . 1 1 129 129 ASP C C 13 176.841 0.3 . 1 . . . A 129 ASP C . 19343 1 236 . 1 1 129 129 ASP CA C 13 56.154 0.3 . 1 . . . A 129 ASP CA . 19343 1 237 . 1 1 129 129 ASP CB C 13 40.406 0.3 . 1 . . . A 129 ASP CB . 19343 1 238 . 1 1 129 129 ASP N N 15 117.685 0.3 . 1 . . . A 129 ASP N . 19343 1 239 . 1 1 130 130 LYS H H 1 8.571 0.02 . 1 . . . A 130 LYS H . 19343 1 240 . 1 1 130 130 LYS C C 13 176.011 0.3 . 1 . . . A 130 LYS C . 19343 1 241 . 1 1 130 130 LYS CA C 13 56.924 0.3 . 1 . . . A 130 LYS CA . 19343 1 242 . 1 1 130 130 LYS CB C 13 33.895 0.3 . 1 . . . A 130 LYS CB . 19343 1 243 . 1 1 130 130 LYS N N 15 116.361 0.3 . 1 . . . A 130 LYS N . 19343 1 244 . 1 1 131 131 PHE H H 1 8.112 0.02 . 1 . . . A 131 PHE H . 19343 1 245 . 1 1 131 131 PHE C C 13 174.776 0.3 . 1 . . . A 131 PHE C . 19343 1 246 . 1 1 131 131 PHE CA C 13 56.891 0.3 . 1 . . . A 131 PHE CA . 19343 1 247 . 1 1 131 131 PHE CB C 13 40.466 0.3 . 1 . . . A 131 PHE CB . 19343 1 248 . 1 1 131 131 PHE N N 15 118.309 0.3 . 1 . . . A 131 PHE N . 19343 1 249 . 1 1 132 132 LYS H H 1 8.974 0.02 . 1 . . . A 132 LYS H . 19343 1 250 . 1 1 132 132 LYS C C 13 176.029 0.3 . 1 . . . A 132 LYS C . 19343 1 251 . 1 1 132 132 LYS CA C 13 53.437 0.3 . 1 . . . A 132 LYS CA . 19343 1 252 . 1 1 132 132 LYS CB C 13 33.453 0.3 . 1 . . . A 132 LYS CB . 19343 1 253 . 1 1 132 132 LYS N N 15 121.819 0.3 . 1 . . . A 132 LYS N . 19343 1 254 . 1 1 133 133 PRO C C 13 173.716 0.3 . 1 . . . A 133 PRO C . 19343 1 255 . 1 1 133 133 PRO CA C 13 62.78 0.3 . 1 . . . A 133 PRO CA . 19343 1 256 . 1 1 133 133 PRO CB C 13 32.095 0.3 . 1 . . . A 133 PRO CB . 19343 1 257 . 1 1 134 134 TYR H H 1 8.905 0.02 . 1 . . . A 134 TYR H . 19343 1 258 . 1 1 134 134 TYR C C 13 174.016 0.3 . 1 . . . A 134 TYR C . 19343 1 259 . 1 1 134 134 TYR CA C 13 56.37 0.3 . 1 . . . A 134 TYR CA . 19343 1 260 . 1 1 134 134 TYR CB C 13 41.993 0.3 . 1 . . . A 134 TYR CB . 19343 1 261 . 1 1 134 134 TYR N N 15 117.842 0.3 . 1 . . . A 134 TYR N . 19343 1 262 . 1 1 135 135 ILE H H 1 8.79 0.02 . 1 . . . A 135 ILE H . 19343 1 263 . 1 1 135 135 ILE C C 13 174.246 0.3 . 1 . . . A 135 ILE C . 19343 1 264 . 1 1 135 135 ILE CA C 13 58.982 0.3 . 1 . . . A 135 ILE CA . 19343 1 265 . 1 1 135 135 ILE CB C 13 42.685 0.3 . 1 . . . A 135 ILE CB . 19343 1 266 . 1 1 135 135 ILE N N 15 114.98 0.3 . 1 . . . A 135 ILE N . 19343 1 267 . 1 1 136 136 GLY H H 1 9.48 0.02 . 1 . . . A 136 GLY H . 19343 1 268 . 1 1 136 136 GLY C C 13 171.642 0.3 . 1 . . . A 136 GLY C . 19343 1 269 . 1 1 136 136 GLY CA C 13 46.934 0.3 . 1 . . . A 136 GLY CA . 19343 1 270 . 1 1 136 136 GLY N N 15 111.712 0.3 . 1 . . . A 136 GLY N . 19343 1 271 . 1 1 137 137 ALA H H 1 8.796 0.02 . 1 . . . A 137 ALA H . 19343 1 272 . 1 1 137 137 ALA C C 13 175.323 0.3 . 1 . . . A 137 ALA C . 19343 1 273 . 1 1 137 137 ALA CA C 13 50.366 0.3 . 1 . . . A 137 ALA CA . 19343 1 274 . 1 1 137 137 ALA CB C 13 22.064 0.3 . 1 . . . A 137 ALA CB . 19343 1 275 . 1 1 137 137 ALA N N 15 120.962 0.3 . 1 . . . A 137 ALA N . 19343 1 276 . 1 1 138 138 ARG H H 1 8.433 0.02 . 1 . . . A 138 ARG H . 19343 1 277 . 1 1 138 138 ARG C C 13 174.44 0.3 . 1 . . . A 138 ARG C . 19343 1 278 . 1 1 138 138 ARG CA C 13 55.088 0.3 . 1 . . . A 138 ARG CA . 19343 1 279 . 1 1 138 138 ARG CB C 13 32.787 0.3 . 1 . . . A 138 ARG CB . 19343 1 280 . 1 1 138 138 ARG N N 15 121.465 0.3 . 1 . . . A 138 ARG N . 19343 1 281 . 1 1 139 139 VAL H H 1 9.163 0.02 . 1 . . . A 139 VAL H . 19343 1 282 . 1 1 139 139 VAL C C 13 173.787 0.3 . 1 . . . A 139 VAL C . 19343 1 283 . 1 1 139 139 VAL CA C 13 58.665 0.3 . 1 . . . A 139 VAL CA . 19343 1 284 . 1 1 139 139 VAL CB C 13 34.261 0.3 . 1 . . . A 139 VAL CB . 19343 1 285 . 1 1 139 139 VAL N N 15 125.073 0.3 . 1 . . . A 139 VAL N . 19343 1 286 . 1 1 140 140 ALA H H 1 8.821 0.02 . 1 . . . A 140 ALA H . 19343 1 287 . 1 1 140 140 ALA C C 13 176.929 0.3 . 1 . . . A 140 ALA C . 19343 1 288 . 1 1 140 140 ALA CA C 13 50.949 0.3 . 1 . . . A 140 ALA CA . 19343 1 289 . 1 1 140 140 ALA CB C 13 22.578 0.3 . 1 . . . A 140 ALA CB . 19343 1 290 . 1 1 140 140 ALA N N 15 123.524 0.3 . 1 . . . A 140 ALA N . 19343 1 291 . 1 1 157 157 VAL H H 1 8.27 0.02 . 1 . . . A 157 VAL H . 19343 1 292 . 1 1 157 157 VAL C C 13 175.063 0.3 . 1 . . . A 157 VAL C . 19343 1 293 . 1 1 157 157 VAL CA C 13 62.019 0.3 . 1 . . . A 157 VAL CA . 19343 1 294 . 1 1 157 157 VAL N N 15 116.065 0.3 . 1 . . . A 157 VAL N . 19343 1 295 . 1 1 159 159 THR H H 1 8.243 0.02 . 1 . . . A 159 THR H . 19343 1 296 . 1 1 159 159 THR C C 13 176.622 0.3 . 1 . . . A 159 THR C . 19343 1 297 . 1 1 159 159 THR CA C 13 61.897 0.3 . 1 . . . A 159 THR CA . 19343 1 298 . 1 1 159 159 THR CB C 13 69.477 0.3 . 1 . . . A 159 THR CB . 19343 1 299 . 1 1 159 159 THR N N 15 117.027 0.3 . 1 . . . A 159 THR N . 19343 1 300 . 1 1 160 160 VAL H H 1 8.527 0.02 . 1 . . . A 160 VAL H . 19343 1 301 . 1 1 160 160 VAL C C 13 177.14 0.3 . 1 . . . A 160 VAL C . 19343 1 302 . 1 1 160 160 VAL CA C 13 56.845 0.3 . 1 . . . A 160 VAL CA . 19343 1 303 . 1 1 160 160 VAL CB C 13 29.394 0.3 . 1 . . . A 160 VAL CB . 19343 1 304 . 1 1 160 160 VAL N N 15 123.139 0.3 . 1 . . . A 160 VAL N . 19343 1 305 . 1 1 161 161 PRO C C 13 177.568 0.3 . 1 . . . A 161 PRO C . 19343 1 306 . 1 1 161 161 PRO CA C 13 63.531 0.3 . 1 . . . A 161 PRO CA . 19343 1 307 . 1 1 161 161 PRO CB C 13 31.329 0.3 . 1 . . . A 161 PRO CB . 19343 1 308 . 1 1 162 162 SER H H 1 8.436 0.02 . 1 . . . A 162 SER H . 19343 1 309 . 1 1 162 162 SER C C 13 175.042 0.3 . 1 . . . A 162 SER C . 19343 1 310 . 1 1 162 162 SER CA C 13 58.554 0.3 . 1 . . . A 162 SER CA . 19343 1 311 . 1 1 162 162 SER CB C 13 63.934 0.3 . 1 . . . A 162 SER CB . 19343 1 312 . 1 1 162 162 SER N N 15 115.87 0.3 . 1 . . . A 162 SER N . 19343 1 313 . 1 1 163 163 ASN H H 1 8.466 0.02 . 1 . . . A 163 ASN H . 19343 1 314 . 1 1 163 163 ASN C C 13 175.683 0.3 . 1 . . . A 163 ASN C . 19343 1 315 . 1 1 163 163 ASN CA C 13 53.351 0.3 . 1 . . . A 163 ASN CA . 19343 1 316 . 1 1 163 163 ASN CB C 13 38.656 0.3 . 1 . . . A 163 ASN CB . 19343 1 317 . 1 1 163 163 ASN N N 15 120.667 0.3 . 1 . . . A 163 ASN N . 19343 1 318 . 1 1 164 164 ALA H H 1 8.227 0.02 . 1 . . . A 164 ALA H . 19343 1 319 . 1 1 164 164 ALA C C 13 176.372 0.3 . 1 . . . A 164 ALA C . 19343 1 320 . 1 1 164 164 ALA CA C 13 50.619 0.3 . 1 . . . A 164 ALA CA . 19343 1 321 . 1 1 164 164 ALA CB C 13 17.815 0.3 . 1 . . . A 164 ALA CB . 19343 1 322 . 1 1 164 164 ALA N N 15 124.946 0.3 . 1 . . . A 164 ALA N . 19343 1 323 . 1 1 165 165 PRO C C 13 176.557 0.3 . 1 . . . A 165 PRO C . 19343 1 324 . 1 1 165 165 PRO CA C 13 63.666 0.3 . 1 . . . A 165 PRO CA . 19343 1 325 . 1 1 165 165 PRO CB C 13 31.072 0.3 . 1 . . . A 165 PRO CB . 19343 1 326 . 1 1 166 166 ASN H H 1 8.051 0.02 . 1 . . . A 166 ASN H . 19343 1 327 . 1 1 166 166 ASN C C 13 177.248 0.3 . 1 . . . A 166 ASN C . 19343 1 328 . 1 1 166 166 ASN CA C 13 55.152 0.3 . 1 . . . A 166 ASN CA . 19343 1 329 . 1 1 166 166 ASN CB C 13 40.764 0.3 . 1 . . . A 166 ASN CB . 19343 1 330 . 1 1 166 166 ASN N N 15 124.475 0.3 . 1 . . . A 166 ASN N . 19343 1 331 . 1 1 167 167 GLY H H 1 8.402 0.02 . 1 . . . A 167 GLY H . 19343 1 332 . 1 1 167 167 GLY C C 13 174.773 0.3 . 1 . . . A 167 GLY C . 19343 1 333 . 1 1 167 167 GLY CA C 13 45.662 0.3 . 1 . . . A 167 GLY CA . 19343 1 334 . 1 1 167 167 GLY N N 15 110.212 0.3 . 1 . . . A 167 GLY N . 19343 1 335 . 1 1 168 168 ALA H H 1 8.365 0.02 . 1 . . . A 168 ALA H . 19343 1 336 . 1 1 168 168 ALA C C 13 178.532 0.3 . 1 . . . A 168 ALA C . 19343 1 337 . 1 1 168 168 ALA CA C 13 52.44 0.3 . 1 . . . A 168 ALA CA . 19343 1 338 . 1 1 168 168 ALA CB C 13 18.569 0.3 . 1 . . . A 168 ALA CB . 19343 1 339 . 1 1 168 168 ALA N N 15 123.653 0.3 . 1 . . . A 168 ALA N . 19343 1 340 . 1 1 169 169 VAL H H 1 8.213 0.02 . 1 . . . A 169 VAL H . 19343 1 341 . 1 1 169 169 VAL C C 13 177.117 0.3 . 1 . . . A 169 VAL C . 19343 1 342 . 1 1 169 169 VAL CA C 13 62.438 0.3 . 1 . . . A 169 VAL CA . 19343 1 343 . 1 1 169 169 VAL CB C 13 31.959 0.3 . 1 . . . A 169 VAL CB . 19343 1 344 . 1 1 169 169 VAL N N 15 119.182 0.3 . 1 . . . A 169 VAL N . 19343 1 345 . 1 1 170 170 THR H H 1 8.314 0.02 . 1 . . . A 170 THR H . 19343 1 346 . 1 1 170 170 THR C C 13 175.078 0.3 . 1 . . . A 170 THR C . 19343 1 347 . 1 1 170 170 THR CA C 13 61.635 0.3 . 1 . . . A 170 THR CA . 19343 1 348 . 1 1 170 170 THR CB C 13 69.477 0.3 . 1 . . . A 170 THR CB . 19343 1 349 . 1 1 170 170 THR N N 15 118.011 0.3 . 1 . . . A 170 THR N . 19343 1 350 . 1 1 171 171 THR H H 1 8.146 0.02 . 1 . . . A 171 THR H . 19343 1 351 . 1 1 171 171 THR C C 13 176.816 0.3 . 1 . . . A 171 THR C . 19343 1 352 . 1 1 171 171 THR CA C 13 62.259 0.3 . 1 . . . A 171 THR CA . 19343 1 353 . 1 1 171 171 THR CB C 13 69.477 0.3 . 1 . . . A 171 THR CB . 19343 1 354 . 1 1 171 171 THR N N 15 116.394 0.3 . 1 . . . A 171 THR N . 19343 1 355 . 1 1 172 172 TYR H H 1 8.312 0.02 . 1 . . . A 172 TYR H . 19343 1 356 . 1 1 172 172 TYR C C 13 176.286 0.3 . 1 . . . A 172 TYR C . 19343 1 357 . 1 1 172 172 TYR CA C 13 56.261 0.3 . 1 . . . A 172 TYR CA . 19343 1 358 . 1 1 172 172 TYR N N 15 121.464 0.3 . 1 . . . A 172 TYR N . 19343 1 359 . 1 1 173 173 ASN H H 1 8.471 0.02 . 1 . . . A 173 ASN H . 19343 1 360 . 1 1 173 173 ASN C C 13 175.672 0.3 . 1 . . . A 173 ASN C . 19343 1 361 . 1 1 173 173 ASN CA C 13 53.617 0.3 . 1 . . . A 173 ASN CA . 19343 1 362 . 1 1 173 173 ASN CB C 13 38.681 0.3 . 1 . . . A 173 ASN CB . 19343 1 363 . 1 1 173 173 ASN N N 15 119.854 0.3 . 1 . . . A 173 ASN N . 19343 1 364 . 1 1 174 174 THR H H 1 8.156 0.02 . 1 . . . A 174 THR H . 19343 1 365 . 1 1 174 174 THR C C 13 174.634 0.3 . 1 . . . A 174 THR C . 19343 1 366 . 1 1 174 174 THR CA C 13 61.908 0.3 . 1 . . . A 174 THR CA . 19343 1 367 . 1 1 174 174 THR CB C 13 69.397 0.3 . 1 . . . A 174 THR CB . 19343 1 368 . 1 1 174 174 THR N N 15 114.27 0.3 . 1 . . . A 174 THR N . 19343 1 369 . 1 1 175 175 ASP H H 1 8.382 0.02 . 1 . . . A 175 ASP H . 19343 1 370 . 1 1 175 175 ASP C C 13 175.537 0.3 . 1 . . . A 175 ASP C . 19343 1 371 . 1 1 175 175 ASP CA C 13 52.364 0.3 . 1 . . . A 175 ASP CA . 19343 1 372 . 1 1 175 175 ASP CB C 13 40.674 0.3 . 1 . . . A 175 ASP CB . 19343 1 373 . 1 1 175 175 ASP N N 15 124.265 0.3 . 1 . . . A 175 ASP N . 19343 1 374 . 1 1 176 176 PRO C C 13 178.033 0.3 . 1 . . . A 176 PRO C . 19343 1 375 . 1 1 176 176 PRO CA C 13 64.103 0.3 . 1 . . . A 176 PRO CA . 19343 1 376 . 1 1 176 176 PRO CB C 13 31.347 0.3 . 1 . . . A 176 PRO CB . 19343 1 377 . 1 1 177 177 LYS H H 1 8.524 0.02 . 1 . . . A 177 LYS H . 19343 1 378 . 1 1 177 177 LYS C C 13 177.982 0.3 . 1 . . . A 177 LYS C . 19343 1 379 . 1 1 177 177 LYS CA C 13 57.038 0.3 . 1 . . . A 177 LYS CA . 19343 1 380 . 1 1 177 177 LYS CB C 13 31.397 0.3 . 1 . . . A 177 LYS CB . 19343 1 381 . 1 1 177 177 LYS N N 15 119.424 0.3 . 1 . . . A 177 LYS N . 19343 1 382 . 1 1 178 178 THR H H 1 8.06 0.02 . 1 . . . A 178 THR H . 19343 1 383 . 1 1 178 178 THR C C 13 175.486 0.3 . 1 . . . A 178 THR C . 19343 1 384 . 1 1 178 178 THR CA C 13 62.259 0.3 . 1 . . . A 178 THR CA . 19343 1 385 . 1 1 178 178 THR CB C 13 69.557 0.3 . 1 . . . A 178 THR CB . 19343 1 386 . 1 1 178 178 THR N N 15 113.513 0.3 . 1 . . . A 178 THR N . 19343 1 387 . 1 1 190 190 VAL H H 1 9.585 0.02 . 1 . . . A 190 VAL H . 19343 1 388 . 1 1 190 190 VAL C C 13 174.758 0.3 . 1 . . . A 190 VAL C . 19343 1 389 . 1 1 190 190 VAL CA C 13 62.426 0.3 . 1 . . . A 190 VAL CA . 19343 1 390 . 1 1 190 190 VAL CB C 13 31.878 0.3 . 1 . . . A 190 VAL CB . 19343 1 391 . 1 1 190 190 VAL N N 15 127.004 0.3 . 1 . . . A 190 VAL N . 19343 1 392 . 1 1 191 191 GLY H H 1 8.71 0.02 . 1 . . . A 191 GLY H . 19343 1 393 . 1 1 191 191 GLY C C 13 172.392 0.3 . 1 . . . A 191 GLY C . 19343 1 394 . 1 1 191 191 GLY CA C 13 44.631 0.3 . 1 . . . A 191 GLY CA . 19343 1 395 . 1 1 191 191 GLY N N 15 114.195 0.3 . 1 . . . A 191 GLY N . 19343 1 396 . 1 1 192 192 LEU H H 1 7.814 0.02 . 1 . . . A 192 LEU H . 19343 1 397 . 1 1 192 192 LEU C C 13 175.446 0.3 . 1 . . . A 192 LEU C . 19343 1 398 . 1 1 192 192 LEU CA C 13 53.632 0.3 . 1 . . . A 192 LEU CA . 19343 1 399 . 1 1 192 192 LEU CB C 13 46.647 0.3 . 1 . . . A 192 LEU CB . 19343 1 400 . 1 1 192 192 LEU N N 15 120.017 0.3 . 1 . . . A 192 LEU N . 19343 1 401 . 1 1 193 193 GLY H H 1 9.258 0.02 . 1 . . . A 193 GLY H . 19343 1 402 . 1 1 193 193 GLY C C 13 172.428 0.3 . 1 . . . A 193 GLY C . 19343 1 403 . 1 1 193 193 GLY CA C 13 46.071 0.3 . 1 . . . A 193 GLY CA . 19343 1 404 . 1 1 193 193 GLY N N 15 109.61 0.3 . 1 . . . A 193 GLY N . 19343 1 405 . 1 1 194 194 VAL H H 1 8.769 0.02 . 1 . . . A 194 VAL H . 19343 1 406 . 1 1 194 194 VAL C C 13 174.37 0.3 . 1 . . . A 194 VAL C . 19343 1 407 . 1 1 194 194 VAL CA C 13 59.907 0.3 . 1 . . . A 194 VAL CA . 19343 1 408 . 1 1 194 194 VAL CB C 13 35.673 0.3 . 1 . . . A 194 VAL CB . 19343 1 409 . 1 1 194 194 VAL N N 15 114.126 0.3 . 1 . . . A 194 VAL N . 19343 1 410 . 1 1 195 195 ILE H H 1 8.698 0.02 . 1 . . . A 195 ILE H . 19343 1 411 . 1 1 195 195 ILE C C 13 174.087 0.3 . 1 . . . A 195 ILE C . 19343 1 412 . 1 1 195 195 ILE CA C 13 58.698 0.3 . 1 . . . A 195 ILE CA . 19343 1 413 . 1 1 195 195 ILE CB C 13 40.126 0.3 . 1 . . . A 195 ILE CB . 19343 1 414 . 1 1 195 195 ILE N N 15 118.306 0.3 . 1 . . . A 195 ILE N . 19343 1 415 . 1 1 196 196 ALA H H 1 9.311 0.02 . 1 . . . A 196 ALA H . 19343 1 416 . 1 1 196 196 ALA C C 13 175.775 0.3 . 1 . . . A 196 ALA C . 19343 1 417 . 1 1 196 196 ALA CA C 13 51.657 0.3 . 1 . . . A 196 ALA CA . 19343 1 418 . 1 1 196 196 ALA CB C 13 22.347 0.3 . 1 . . . A 196 ALA CB . 19343 1 419 . 1 1 196 196 ALA N N 15 123.076 0.3 . 1 . . . A 196 ALA N . 19343 1 420 . 1 1 197 197 GLY H H 1 7.573 0.02 . 1 . . . A 197 GLY H . 19343 1 421 . 1 1 197 197 GLY C C 13 171.97 0.3 . 1 . . . A 197 GLY C . 19343 1 422 . 1 1 197 197 GLY CA C 13 46.636 0.3 . 1 . . . A 197 GLY CA . 19343 1 423 . 1 1 197 197 GLY N N 15 106.713 0.3 . 1 . . . A 197 GLY N . 19343 1 424 . 1 1 198 198 VAL H H 1 9.444 0.02 . 1 . . . A 198 VAL H . 19343 1 425 . 1 1 198 198 VAL C C 13 173.452 0.3 . 1 . . . A 198 VAL C . 19343 1 426 . 1 1 198 198 VAL CA C 13 60.905 0.3 . 1 . . . A 198 VAL CA . 19343 1 427 . 1 1 198 198 VAL CB C 13 35.299 0.3 . 1 . . . A 198 VAL CB . 19343 1 428 . 1 1 198 198 VAL N N 15 115.826 0.3 . 1 . . . A 198 VAL N . 19343 1 429 . 1 1 199 199 GLY H H 1 8.007 0.02 . 1 . . . A 199 GLY H . 19343 1 430 . 1 1 199 199 GLY C C 13 173.36 0.3 . 1 . . . A 199 GLY C . 19343 1 431 . 1 1 199 199 GLY CA C 13 43.667 0.3 . 1 . . . A 199 GLY CA . 19343 1 432 . 1 1 199 199 GLY N N 15 111.96 0.3 . 1 . . . A 199 GLY N . 19343 1 433 . 1 1 200 200 PHE H H 1 9.479 0.02 . 1 . . . A 200 PHE H . 19343 1 434 . 1 1 200 200 PHE C C 13 175.233 0.3 . 1 . . . A 200 PHE C . 19343 1 435 . 1 1 200 200 PHE CA C 13 55.778 0.3 . 1 . . . A 200 PHE CA . 19343 1 436 . 1 1 200 200 PHE CB C 13 41.971 0.3 . 1 . . . A 200 PHE CB . 19343 1 437 . 1 1 200 200 PHE N N 15 123.684 0.3 . 1 . . . A 200 PHE N . 19343 1 438 . 1 1 201 201 ASP H H 1 8.849 0.02 . 1 . . . A 201 ASP H . 19343 1 439 . 1 1 201 201 ASP C C 13 174.97 0.3 . 1 . . . A 201 ASP C . 19343 1 440 . 1 1 201 201 ASP CA C 13 55.157 0.3 . 1 . . . A 201 ASP CA . 19343 1 441 . 1 1 201 201 ASP CB C 13 38.632 0.3 . 1 . . . A 201 ASP CB . 19343 1 442 . 1 1 201 201 ASP N N 15 130.386 0.3 . 1 . . . A 201 ASP N . 19343 1 443 . 1 1 202 202 ILE H H 1 8.646 0.02 . 1 . . . A 202 ILE H . 19343 1 444 . 1 1 202 202 ILE C C 13 176.841 0.3 . 1 . . . A 202 ILE C . 19343 1 445 . 1 1 202 202 ILE CA C 13 63.05 0.3 . 1 . . . A 202 ILE CA . 19343 1 446 . 1 1 202 202 ILE CB C 13 38.361 0.3 . 1 . . . A 202 ILE CB . 19343 1 447 . 1 1 202 202 ILE N N 15 124.928 0.3 . 1 . . . A 202 ILE N . 19343 1 448 . 1 1 203 203 THR H H 1 8.472 0.02 . 1 . . . A 203 THR H . 19343 1 449 . 1 1 203 203 THR C C 13 173.505 0.3 . 1 . . . A 203 THR C . 19343 1 450 . 1 1 203 203 THR CA C 13 59.322 0.3 . 1 . . . A 203 THR CA . 19343 1 451 . 1 1 203 203 THR CB C 13 68.634 0.3 . 1 . . . A 203 THR CB . 19343 1 452 . 1 1 203 203 THR N N 15 112.006 0.3 . 1 . . . A 203 THR N . 19343 1 453 . 1 1 204 204 PRO C C 13 177.459 0.3 . 1 . . . A 204 PRO C . 19343 1 454 . 1 1 204 204 PRO CA C 13 65.387 0.3 . 1 . . . A 204 PRO CA . 19343 1 455 . 1 1 204 204 PRO CB C 13 31.55 0.3 . 1 . . . A 204 PRO CB . 19343 1 456 . 1 1 205 205 LYS H H 1 7.801 0.02 . 1 . . . A 205 LYS H . 19343 1 457 . 1 1 205 205 LYS C C 13 175.235 0.3 . 1 . . . A 205 LYS C . 19343 1 458 . 1 1 205 205 LYS CA C 13 56.124 0.3 . 1 . . . A 205 LYS CA . 19343 1 459 . 1 1 205 205 LYS CB C 13 33.189 0.3 . 1 . . . A 205 LYS CB . 19343 1 460 . 1 1 205 205 LYS N N 15 111.965 0.3 . 1 . . . A 205 LYS N . 19343 1 461 . 1 1 206 206 LEU H H 1 7.584 0.02 . 1 . . . A 206 LEU H . 19343 1 462 . 1 1 206 206 LEU C C 13 175.976 0.3 . 1 . . . A 206 LEU C . 19343 1 463 . 1 1 206 206 LEU CA C 13 54.109 0.3 . 1 . . . A 206 LEU CA . 19343 1 464 . 1 1 206 206 LEU CB C 13 45.105 0.3 . 1 . . . A 206 LEU CB . 19343 1 465 . 1 1 206 206 LEU N N 15 121.328 0.3 . 1 . . . A 206 LEU N . 19343 1 466 . 1 1 207 207 THR H H 1 9.192 0.02 . 1 . . . A 207 THR H . 19343 1 467 . 1 1 207 207 THR C C 13 174.158 0.3 . 1 . . . A 207 THR C . 19343 1 468 . 1 1 207 207 THR CA C 13 62.017 0.3 . 1 . . . A 207 THR CA . 19343 1 469 . 1 1 207 207 THR CB C 13 72.182 0.3 . 1 . . . A 207 THR CB . 19343 1 470 . 1 1 207 207 THR N N 15 123.091 0.3 . 1 . . . A 207 THR N . 19343 1 471 . 1 1 208 208 LEU H H 1 9.418 0.02 . 1 . . . A 208 LEU H . 19343 1 472 . 1 1 208 208 LEU C C 13 174.828 0.3 . 1 . . . A 208 LEU C . 19343 1 473 . 1 1 208 208 LEU CA C 13 54.127 0.3 . 1 . . . A 208 LEU CA . 19343 1 474 . 1 1 208 208 LEU CB C 13 43.177 0.3 . 1 . . . A 208 LEU CB . 19343 1 475 . 1 1 208 208 LEU N N 15 128.382 0.3 . 1 . . . A 208 LEU N . 19343 1 476 . 1 1 209 209 ASP H H 1 9.155 0.02 . 1 . . . A 209 ASP H . 19343 1 477 . 1 1 209 209 ASP C C 13 175.876 0.3 . 1 . . . A 209 ASP C . 19343 1 478 . 1 1 209 209 ASP CA C 13 53.112 0.3 . 1 . . . A 209 ASP CA . 19343 1 479 . 1 1 209 209 ASP CB C 13 45.149 0.3 . 1 . . . A 209 ASP CB . 19343 1 480 . 1 1 209 209 ASP N N 15 127.139 0.3 . 1 . . . A 209 ASP N . 19343 1 481 . 1 1 210 210 ALA H H 1 9.03 0.02 . 1 . . . A 210 ALA H . 19343 1 482 . 1 1 210 210 ALA C C 13 175.876 0.3 . 1 . . . A 210 ALA C . 19343 1 483 . 1 1 210 210 ALA CA C 13 50.451 0.3 . 1 . . . A 210 ALA CA . 19343 1 484 . 1 1 210 210 ALA CB C 13 19.968 0.3 . 1 . . . A 210 ALA CB . 19343 1 485 . 1 1 210 210 ALA N N 15 131.933 0.3 . 1 . . . A 210 ALA N . 19343 1 486 . 1 1 211 211 GLY H H 1 8.963 0.02 . 1 . . . A 211 GLY H . 19343 1 487 . 1 1 211 211 GLY C C 13 171.654 0.3 . 1 . . . A 211 GLY C . 19343 1 488 . 1 1 211 211 GLY CA C 13 45.896 0.3 . 1 . . . A 211 GLY CA . 19343 1 489 . 1 1 211 211 GLY N N 15 107.876 0.3 . 1 . . . A 211 GLY N . 19343 1 490 . 1 1 212 212 TYR H H 1 9.675 0.02 . 1 . . . A 212 TYR H . 19343 1 491 . 1 1 212 212 TYR C C 13 175.287 0.3 . 1 . . . A 212 TYR C . 19343 1 492 . 1 1 212 212 TYR CA C 13 55.861 0.3 . 1 . . . A 212 TYR CA . 19343 1 493 . 1 1 212 212 TYR CB C 13 42.69 0.3 . 1 . . . A 212 TYR CB . 19343 1 494 . 1 1 212 212 TYR N N 15 120.649 0.3 . 1 . . . A 212 TYR N . 19343 1 495 . 1 1 231 231 SER H H 1 9.663 0.02 . 1 . . . A 231 SER H . 19343 1 496 . 1 1 231 231 SER C C 13 172.475 0.3 . 1 . . . A 231 SER C . 19343 1 497 . 1 1 231 231 SER CA C 13 57.333 0.3 . 1 . . . A 231 SER CA . 19343 1 498 . 1 1 231 231 SER CB C 13 63.387 0.3 . 1 . . . A 231 SER CB . 19343 1 499 . 1 1 231 231 SER N N 15 113.24 0.3 . 1 . . . A 231 SER N . 19343 1 500 . 1 1 233 233 GLY H H 1 9.209 0.02 . 1 . . . A 233 GLY H . 19343 1 501 . 1 1 233 233 GLY C C 13 173.063 0.3 . 1 . . . A 233 GLY C . 19343 1 502 . 1 1 233 233 GLY CA C 13 46.307 0.3 . 1 . . . A 233 GLY CA . 19343 1 503 . 1 1 233 233 GLY N N 15 112.364 0.3 . 1 . . . A 233 GLY N . 19343 1 504 . 1 1 234 234 VAL H H 1 8.647 0.02 . 1 . . . A 234 VAL H . 19343 1 505 . 1 1 234 234 VAL C C 13 174.052 0.3 . 1 . . . A 234 VAL C . 19343 1 506 . 1 1 234 234 VAL CA C 13 59.15 0.3 . 1 . . . A 234 VAL CA . 19343 1 507 . 1 1 234 234 VAL CB C 13 34.744 0.3 . 1 . . . A 234 VAL CB . 19343 1 508 . 1 1 234 234 VAL N N 15 114.067 0.3 . 1 . . . A 234 VAL N . 19343 1 509 . 1 1 235 235 ARG H H 1 9.454 0.02 . 1 . . . A 235 ARG H . 19343 1 510 . 1 1 235 235 ARG C C 13 174.723 0.3 . 1 . . . A 235 ARG C . 19343 1 511 . 1 1 235 235 ARG CA C 13 53.493 0.3 . 1 . . . A 235 ARG CA . 19343 1 512 . 1 1 235 235 ARG CB C 13 32.045 0.3 . 1 . . . A 235 ARG CB . 19343 1 513 . 1 1 235 235 ARG N N 15 124.171 0.3 . 1 . . . A 235 ARG N . 19343 1 514 . 1 1 236 236 TYR H H 1 9.462 0.02 . 1 . . . A 236 TYR H . 19343 1 515 . 1 1 236 236 TYR C C 13 174.26 0.3 . 1 . . . A 236 TYR C . 19343 1 516 . 1 1 236 236 TYR CA C 13 56.355 0.3 . 1 . . . A 236 TYR CA . 19343 1 517 . 1 1 236 236 TYR CB C 13 41.543 0.3 . 1 . . . A 236 TYR CB . 19343 1 518 . 1 1 236 236 TYR N N 15 125.851 0.3 . 1 . . . A 236 TYR N . 19343 1 519 . 1 1 237 237 ARG H H 1 8.227 0.02 . 1 . . . A 237 ARG H . 19343 1 520 . 1 1 237 237 ARG C C 13 174.405 0.3 . 1 . . . A 237 ARG C . 19343 1 521 . 1 1 237 237 ARG CA C 13 54.973 0.3 . 1 . . . A 237 ARG CA . 19343 1 522 . 1 1 237 237 ARG CB C 13 30.2 0.3 . 1 . . . A 237 ARG CB . 19343 1 523 . 1 1 237 237 ARG N N 15 128.757 0.3 . 1 . . . A 237 ARG N . 19343 1 524 . 1 1 238 238 PHE H H 1 7.537 0.02 . 1 . . . A 238 PHE H . 19343 1 525 . 1 1 238 238 PHE C C 13 181.184 0.3 . 1 . . . A 238 PHE C . 19343 1 526 . 1 1 238 238 PHE CA C 13 59.949 0.3 . 1 . . . A 238 PHE CA . 19343 1 527 . 1 1 238 238 PHE CB C 13 39.934 0.3 . 1 . . . A 238 PHE CB . 19343 1 528 . 1 1 238 238 PHE N N 15 125.181 0.3 . 1 . . . A 238 PHE N . 19343 1 stop_ save_