data_18316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18316 _Entry.Title ; Solution structure of the C-terminal domain of the MgtC protein from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-07 _Entry.Accession_date 2012-03-07 _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 . _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 Martin Yang . . . 18316 2 Yishan Yang . . . 18316 3 Gilles Labesse . . . 18316 4 Anne Blanc-Potard . . . 18316 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' . 18316 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID tuberculosis . 18316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 18316 '15N chemical shifts' 89 18316 '1H chemical shifts' 190 18316 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 2 . . 2013-03-12 2012-03-07 update BMRB 'update entry citation' 18316 1 . . 2012-04-11 2012-03-07 original author 'original release' 18316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQJ 'BMRB Entry Tracking System' 18316 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18316 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22984256 _Citation.Full_citation . _Citation.Title 'The C-terminal domain of the virulence factor MgtC is a divergent ACT domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 194 _Citation.Journal_issue 22 _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 6255 _Citation.Page_last 6263 _Citation.Year 2012 _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 Yinshan Yang . . . 18316 1 2 Gilles Labesse . . . 18316 1 3 Severine Carrere-Kremer . . . 18316 1 4 Kevin Esteves . . . 18316 1 5 Laurent Kremer . . . 18316 1 6 Martin Cohen-Gonsaud . . . 18316 1 7 Anne-Beatrice Blanc-Potard . . . 18316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18316 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of the MgtC protein' _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 'C-terminal domain of the MgtC protein' 1 $entity A . yes native no no . . . 18316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18316 _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 ; VEDEGLQPYQVRVICRPKAE TYVRAHIVQRTSSNDITLRG IRTGPAGDDNITLTAHLLMV GHTPAKLERLVAELSLQPGV YAVHWYAGEHAQAE ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10414.866 _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 2LQJ . "Solution Structure Of The C-Terminal Domain Of The Mgtc Protein From Mycobacterium Tuberculosis" . . . . . 100.00 94 100.00 100.00 2.73e-61 . . . . 18316 1 2 no DBJ BAH26116 . "putative Mg2+ transport P-type ATPase C [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 3 no DBJ BAL65794 . "Mg2+ transport P-type ATPase C [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 202 98.94 98.94 5.10e-60 . . . . 18316 1 4 no DBJ BAQ05835 . "Mg2+ transport P-type ATPase C [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 5 no DBJ GAA45520 . "Mg2+ transport P-type ATPase C [Mycobacterium tuberculosis NCGM2209]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 6 no EMBL CAL71832 . "Possible Mg2+ transport P-type atpase C mgtC [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 7 no EMBL CCC26903 . "putative Mg2+ transport P-type ATPase C MGTC [Mycobacterium africanum GM041182]" . . . . . 100.00 234 100.00 100.00 1.17e-60 . . . . 18316 1 8 no EMBL CCC44159 . "putative Mg2+ transport P-type ATPase C MGTC [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 9 no EMBL CCC64414 . "possible Mg2+ transport P-type atpase C mgtC [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 10 no EMBL CCE37295 . "mgtC [Mycobacterium tuberculosis UT205]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 11 no GB AAK46132 . "Mg2+ transport protein [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 12 no GB ABQ73578 . "Mg2+ transport P-type ATPase C [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 13 no GB ABR06176 . "Mg2+ transport P-type ATPase C mgtC [Mycobacterium tuberculosis F11]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 14 no GB ACT25251 . "Mg2+ transport ATPase C mgtC [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 15 no GB AEB04323 . "Mg2+ transport ATPase C mgtC [Mycobacterium tuberculosis KZN 4207]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 16 no REF NP_216327 . "Mg2+ transport P-type ATPase MgtC [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 17 no REF NP_855493 . "Mg2+ transport P-type ATPase C MgtC [Mycobacterium bovis AF2122/97]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 18 no REF WP_003409190 . "Mg2+ transport P-type ATPase C [Mycobacterium orygis]" . . . . . 100.00 234 98.94 98.94 1.09e-59 . . . . 18316 1 19 no REF WP_003899032 . "MULTISPECIES: methyltransferase [Mycobacterium]" . . . . . 100.00 234 100.00 100.00 1.07e-60 . . . . 18316 1 20 no REF WP_003900414 . "methyltransferase [Mycobacterium tuberculosis]" . . . . . 100.00 234 98.94 98.94 1.30e-59 . . . . 18316 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 1 141 VAL . 18316 1 2 142 GLU . 18316 1 3 143 ASP . 18316 1 4 144 GLU . 18316 1 5 145 GLY . 18316 1 6 146 LEU . 18316 1 7 147 GLN . 18316 1 8 148 PRO . 18316 1 9 149 TYR . 18316 1 10 150 GLN . 18316 1 11 151 VAL . 18316 1 12 152 ARG . 18316 1 13 153 VAL . 18316 1 14 154 ILE . 18316 1 15 155 CYS . 18316 1 16 156 ARG . 18316 1 17 157 PRO . 18316 1 18 158 LYS . 18316 1 19 159 ALA . 18316 1 20 160 GLU . 18316 1 21 161 THR . 18316 1 22 162 TYR . 18316 1 23 163 VAL . 18316 1 24 164 ARG . 18316 1 25 165 ALA . 18316 1 26 166 HIS . 18316 1 27 167 ILE . 18316 1 28 168 VAL . 18316 1 29 169 GLN . 18316 1 30 170 ARG . 18316 1 31 171 THR . 18316 1 32 172 SER . 18316 1 33 173 SER . 18316 1 34 174 ASN . 18316 1 35 175 ASP . 18316 1 36 176 ILE . 18316 1 37 177 THR . 18316 1 38 178 LEU . 18316 1 39 179 ARG . 18316 1 40 180 GLY . 18316 1 41 181 ILE . 18316 1 42 182 ARG . 18316 1 43 183 THR . 18316 1 44 184 GLY . 18316 1 45 185 PRO . 18316 1 46 186 ALA . 18316 1 47 187 GLY . 18316 1 48 188 ASP . 18316 1 49 189 ASP . 18316 1 50 190 ASN . 18316 1 51 191 ILE . 18316 1 52 192 THR . 18316 1 53 193 LEU . 18316 1 54 194 THR . 18316 1 55 195 ALA . 18316 1 56 196 HIS . 18316 1 57 197 LEU . 18316 1 58 198 LEU . 18316 1 59 199 MET . 18316 1 60 200 VAL . 18316 1 61 201 GLY . 18316 1 62 202 HIS . 18316 1 63 203 THR . 18316 1 64 204 PRO . 18316 1 65 205 ALA . 18316 1 66 206 LYS . 18316 1 67 207 LEU . 18316 1 68 208 GLU . 18316 1 69 209 ARG . 18316 1 70 210 LEU . 18316 1 71 211 VAL . 18316 1 72 212 ALA . 18316 1 73 213 GLU . 18316 1 74 214 LEU . 18316 1 75 215 SER . 18316 1 76 216 LEU . 18316 1 77 217 GLN . 18316 1 78 218 PRO . 18316 1 79 219 GLY . 18316 1 80 220 VAL . 18316 1 81 221 TYR . 18316 1 82 222 ALA . 18316 1 83 223 VAL . 18316 1 84 224 HIS . 18316 1 85 225 TRP . 18316 1 86 226 TYR . 18316 1 87 227 ALA . 18316 1 88 228 GLY . 18316 1 89 229 GLU . 18316 1 90 230 HIS . 18316 1 91 231 ALA . 18316 1 92 232 GLN . 18316 1 93 233 ALA . 18316 1 94 234 GLU . 18316 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 . VAL 1 1 18316 1 . GLU 2 2 18316 1 . ASP 3 3 18316 1 . GLU 4 4 18316 1 . GLY 5 5 18316 1 . LEU 6 6 18316 1 . GLN 7 7 18316 1 . PRO 8 8 18316 1 . TYR 9 9 18316 1 . GLN 10 10 18316 1 . VAL 11 11 18316 1 . ARG 12 12 18316 1 . VAL 13 13 18316 1 . ILE 14 14 18316 1 . CYS 15 15 18316 1 . ARG 16 16 18316 1 . PRO 17 17 18316 1 . LYS 18 18 18316 1 . ALA 19 19 18316 1 . GLU 20 20 18316 1 . THR 21 21 18316 1 . TYR 22 22 18316 1 . VAL 23 23 18316 1 . ARG 24 24 18316 1 . ALA 25 25 18316 1 . HIS 26 26 18316 1 . ILE 27 27 18316 1 . VAL 28 28 18316 1 . GLN 29 29 18316 1 . ARG 30 30 18316 1 . THR 31 31 18316 1 . SER 32 32 18316 1 . SER 33 33 18316 1 . ASN 34 34 18316 1 . ASP 35 35 18316 1 . ILE 36 36 18316 1 . THR 37 37 18316 1 . LEU 38 38 18316 1 . ARG 39 39 18316 1 . GLY 40 40 18316 1 . ILE 41 41 18316 1 . ARG 42 42 18316 1 . THR 43 43 18316 1 . GLY 44 44 18316 1 . PRO 45 45 18316 1 . ALA 46 46 18316 1 . GLY 47 47 18316 1 . ASP 48 48 18316 1 . ASP 49 49 18316 1 . ASN 50 50 18316 1 . ILE 51 51 18316 1 . THR 52 52 18316 1 . LEU 53 53 18316 1 . THR 54 54 18316 1 . ALA 55 55 18316 1 . HIS 56 56 18316 1 . LEU 57 57 18316 1 . LEU 58 58 18316 1 . MET 59 59 18316 1 . VAL 60 60 18316 1 . GLY 61 61 18316 1 . HIS 62 62 18316 1 . THR 63 63 18316 1 . PRO 64 64 18316 1 . ALA 65 65 18316 1 . LYS 66 66 18316 1 . LEU 67 67 18316 1 . GLU 68 68 18316 1 . ARG 69 69 18316 1 . LEU 70 70 18316 1 . VAL 71 71 18316 1 . ALA 72 72 18316 1 . GLU 73 73 18316 1 . LEU 74 74 18316 1 . SER 75 75 18316 1 . LEU 76 76 18316 1 . GLN 77 77 18316 1 . PRO 78 78 18316 1 . GLY 79 79 18316 1 . VAL 80 80 18316 1 . TYR 81 81 18316 1 . ALA 82 82 18316 1 . VAL 83 83 18316 1 . HIS 84 84 18316 1 . TRP 85 85 18316 1 . TYR 86 86 18316 1 . ALA 87 87 18316 1 . GLY 88 88 18316 1 . GLU 89 89 18316 1 . HIS 90 90 18316 1 . ALA 91 91 18316 1 . GLN 92 92 18316 1 . ALA 93 93 18316 1 . GLU 94 94 18316 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 18316 _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 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'High GC Gram +' . . Bacteria . Mycobacterium tuberculosis H37rv . . . . . . . . . . . . . . . Rv1811 . 'C-terminal domain' . . 18316 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 18316 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b-TEV . . . . . . 18316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18316 _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-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 18316 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 18316 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 18316 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18316 _Sample.ID 2 _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-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 18316 2 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 18316 2 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 18316 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 18316 _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 'ionic strength' 0.11 . M 18316 1 pH 4.6 . pH 18316 1 pressure 1 . atm 18316 1 temperature 293 . K 18316 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18316 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18316 1 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 18316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18316 _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 Avance . 700 . . . 18316 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 18316 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18316 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 18316 _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 . indirect . . . . . . . . . . 18316 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18316 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect . . . . . . . . . . 18316 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 18316 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 18316 1 2 '2D 1H-1H NOESY' . . . 18316 1 3 '2D 1H-1H TOCSY' . . . 18316 1 4 '3D HNCO' . . . 18316 1 5 '3D HNCA' . . . 18316 1 6 '3D CBCA(CO)NH' . . . 18316 1 7 '3D 1H-15N NOESY' . . . 18316 1 8 '3D 1H-13C NOESY' . . . 18316 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 VAL H H 1 8.284 0.01 . 1 . . . A 141 VAL H . 18316 1 2 . 1 1 1 1 VAL HA H 1 4.106 0.01 . 1 . . . A 141 VAL HA . 18316 1 3 . 1 1 1 1 VAL C C 13 176.50 0.01 . 1 . . . A 141 VAL C . 18316 1 4 . 1 1 1 1 VAL CA C 13 62.85 0.01 . 1 . . . A 141 VAL CA . 18316 1 5 . 1 1 1 1 VAL CB C 13 32.29 0.01 . 1 . . . A 141 VAL CB . 18316 1 6 . 1 1 1 1 VAL N N 15 121.37 0.01 . 1 . . . A 141 VAL N . 18316 1 7 . 1 1 2 2 GLU H H 1 8.483 0.01 . 1 . . . A 142 GLU H . 18316 1 8 . 1 1 2 2 GLU HA H 1 4.259 0.01 . 1 . . . A 142 GLU HA . 18316 1 9 . 1 1 2 2 GLU C C 13 176.32 0.01 . 1 . . . A 142 GLU C . 18316 1 10 . 1 1 2 2 GLU CA C 13 56.90 0.01 . 1 . . . A 142 GLU CA . 18316 1 11 . 1 1 2 2 GLU CB C 13 29.66 0.01 . 1 . . . A 142 GLU CB . 18316 1 12 . 1 1 2 2 GLU N N 15 123.19 0.01 . 1 . . . A 142 GLU N . 18316 1 13 . 1 1 3 3 ASP H H 1 8.239 0.01 . 1 . . . A 143 ASP H . 18316 1 14 . 1 1 3 3 ASP HA H 1 4.626 0.01 . 1 . . . A 143 ASP HA . 18316 1 15 . 1 1 3 3 ASP C C 13 176.24 0.01 . 1 . . . A 143 ASP C . 18316 1 16 . 1 1 3 3 ASP CA C 13 54.51 0.01 . 1 . . . A 143 ASP CA . 18316 1 17 . 1 1 3 3 ASP CB C 13 29.68 0.01 . 1 . . . A 143 ASP CB . 18316 1 18 . 1 1 3 3 ASP N N 15 120.72 0.01 . 1 . . . A 143 ASP N . 18316 1 19 . 1 1 4 4 GLU H H 1 8.246 0.01 . 1 . . . A 144 GLU H . 18316 1 20 . 1 1 4 4 GLU HA H 1 4.316 0.01 . 1 . . . A 144 GLU HA . 18316 1 21 . 1 1 4 4 GLU C C 13 176.72 0.01 . 1 . . . A 144 GLU C . 18316 1 22 . 1 1 4 4 GLU CA C 13 56.61 0.01 . 1 . . . A 144 GLU CA . 18316 1 23 . 1 1 4 4 GLU CB C 13 40.99 0.01 . 1 . . . A 144 GLU CB . 18316 1 24 . 1 1 4 4 GLU N N 15 120.38 0.01 . 1 . . . A 144 GLU N . 18316 1 25 . 1 1 5 5 GLY H H 1 8.398 0.01 . 1 . . . A 145 GLY H . 18316 1 26 . 1 1 5 5 GLY HA2 H 1 4.030 0.01 . 2 . . . A 145 GLY HA2 . 18316 1 27 . 1 1 5 5 GLY HA3 H 1 3.912 0.01 . 2 . . . A 145 GLY HA3 . 18316 1 28 . 1 1 5 5 GLY C C 13 173.96 0.01 . 1 . . . A 145 GLY C . 18316 1 29 . 1 1 5 5 GLY CA C 13 45.17 0.01 . 1 . . . A 145 GLY CA . 18316 1 30 . 1 1 5 5 GLY N N 15 108.67 0.01 . 1 . . . A 145 GLY N . 18316 1 31 . 1 1 6 6 LEU H H 1 8.114 0.01 . 1 . . . A 146 LEU H . 18316 1 32 . 1 1 6 6 LEU HA H 1 4.363 0.01 . 1 . . . A 146 LEU HA . 18316 1 33 . 1 1 6 6 LEU C C 13 176.74 0.01 . 1 . . . A 146 LEU C . 18316 1 34 . 1 1 6 6 LEU CA C 13 55.13 0.01 . 1 . . . A 146 LEU CA . 18316 1 35 . 1 1 6 6 LEU CB C 13 43.17 0.01 . 1 . . . A 146 LEU CB . 18316 1 36 . 1 1 6 6 LEU N N 15 121.37 0.01 . 1 . . . A 146 LEU N . 18316 1 37 . 1 1 7 7 GLN H H 1 8.937 0.01 . 1 . . . A 147 GLN H . 18316 1 38 . 1 1 7 7 GLN HA H 1 4.888 0.01 . 1 . . . A 147 GLN HA . 18316 1 39 . 1 1 7 7 GLN CA C 13 52.27 0.01 . 1 . . . A 147 GLN CA . 18316 1 40 . 1 1 7 7 GLN N N 15 122.48 0.01 . 1 . . . A 147 GLN N . 18316 1 41 . 1 1 8 8 PRO HA H 1 5.426 0.01 . 1 . . . A 148 PRO HA . 18316 1 42 . 1 1 8 8 PRO C C 13 177.00 0.01 . 1 . . . A 148 PRO C . 18316 1 43 . 1 1 8 8 PRO CA C 13 61.94 0.01 . 1 . . . A 148 PRO CA . 18316 1 44 . 1 1 8 8 PRO CB C 13 33.00 0.01 . 1 . . . A 148 PRO CB . 18316 1 45 . 1 1 9 9 TYR H H 1 8.879 0.01 . 1 . . . A 149 TYR H . 18316 1 46 . 1 1 9 9 TYR HA H 1 5.207 0.01 . 1 . . . A 149 TYR HA . 18316 1 47 . 1 1 9 9 TYR C C 13 174.46 0.01 . 1 . . . A 149 TYR C . 18316 1 48 . 1 1 9 9 TYR CA C 13 57.59 0.01 . 1 . . . A 149 TYR CA . 18316 1 49 . 1 1 9 9 TYR CB C 13 44.73 0.01 . 1 . . . A 149 TYR CB . 18316 1 50 . 1 1 9 9 TYR N N 15 119.56 0.01 . 1 . . . A 149 TYR N . 18316 1 51 . 1 1 10 10 GLN H H 1 9.360 0.01 . 1 . . . A 150 GLN H . 18316 1 52 . 1 1 10 10 GLN HA H 1 5.581 0.01 . 1 . . . A 150 GLN HA . 18316 1 53 . 1 1 10 10 GLN C C 13 175.60 0.01 . 1 . . . A 150 GLN C . 18316 1 54 . 1 1 10 10 GLN CA C 13 54.00 0.01 . 1 . . . A 150 GLN CA . 18316 1 55 . 1 1 10 10 GLN CB C 13 32.83 0.01 . 1 . . . A 150 GLN CB . 18316 1 56 . 1 1 10 10 GLN N N 15 117.88 0.01 . 1 . . . A 150 GLN N . 18316 1 57 . 1 1 11 11 VAL H H 1 8.704 0.01 . 1 . . . A 151 VAL H . 18316 1 58 . 1 1 11 11 VAL HA H 1 4.899 0.01 . 1 . . . A 151 VAL HA . 18316 1 59 . 1 1 11 11 VAL C C 13 173.76 0.01 . 1 . . . A 151 VAL C . 18316 1 60 . 1 1 11 11 VAL CA C 13 61.25 0.01 . 1 . . . A 151 VAL CA . 18316 1 61 . 1 1 11 11 VAL CB C 13 34.91 0.01 . 1 . . . A 151 VAL CB . 18316 1 62 . 1 1 11 11 VAL N N 15 120.87 0.01 . 1 . . . A 151 VAL N . 18316 1 63 . 1 1 12 12 ARG H H 1 9.281 0.01 . 1 . . . A 152 ARG H . 18316 1 64 . 1 1 12 12 ARG HA H 1 5.507 0.01 . 1 . . . A 152 ARG HA . 18316 1 65 . 1 1 12 12 ARG C C 13 174.68 0.01 . 1 . . . A 152 ARG C . 18316 1 66 . 1 1 12 12 ARG CA C 13 54.85 0.01 . 1 . . . A 152 ARG CA . 18316 1 67 . 1 1 12 12 ARG CB C 13 33.54 0.01 . 1 . . . A 152 ARG CB . 18316 1 68 . 1 1 12 12 ARG N N 15 127.57 0.01 . 1 . . . A 152 ARG N . 18316 1 69 . 1 1 13 13 VAL H H 1 9.732 0.01 . 1 . . . A 153 VAL H . 18316 1 70 . 1 1 13 13 VAL HA H 1 4.904 0.01 . 1 . . . A 153 VAL HA . 18316 1 71 . 1 1 13 13 VAL C C 13 174.41 0.01 . 1 . . . A 153 VAL C . 18316 1 72 . 1 1 13 13 VAL CA C 13 60.50 0.01 . 1 . . . A 153 VAL CA . 18316 1 73 . 1 1 13 13 VAL CB C 13 35.10 0.01 . 1 . . . A 153 VAL CB . 18316 1 74 . 1 1 13 13 VAL N N 15 127.26 0.01 . 1 . . . A 153 VAL N . 18316 1 75 . 1 1 14 14 ILE H H 1 8.982 0.01 . 1 . . . A 154 ILE H . 18316 1 76 . 1 1 14 14 ILE HA H 1 5.377 0.01 . 1 . . . A 154 ILE HA . 18316 1 77 . 1 1 14 14 ILE C C 13 176.39 0.01 . 1 . . . A 154 ILE C . 18316 1 78 . 1 1 14 14 ILE CA C 13 60.14 0.01 . 1 . . . A 154 ILE CA . 18316 1 79 . 1 1 14 14 ILE CB C 13 38.29 0.01 . 1 . . . A 154 ILE CB . 18316 1 80 . 1 1 14 14 ILE N N 15 127.21 0.01 . 1 . . . A 154 ILE N . 18316 1 81 . 1 1 15 15 CYS H H 1 9.438 0.01 . 1 . . . A 155 CYS H . 18316 1 82 . 1 1 15 15 CYS HA H 1 5.579 0.01 . 1 . . . A 155 CYS HA . 18316 1 83 . 1 1 15 15 CYS C C 13 171.85 0.01 . 1 . . . A 155 CYS C . 18316 1 84 . 1 1 15 15 CYS CA C 13 54.63 0.01 . 1 . . . A 155 CYS CA . 18316 1 85 . 1 1 15 15 CYS CB C 13 33.50 0.01 . 1 . . . A 155 CYS CB . 18316 1 86 . 1 1 15 15 CYS N N 15 122.76 0.01 . 1 . . . A 155 CYS N . 18316 1 87 . 1 1 16 16 ARG H H 1 8.521 0.01 . 1 . . . A 156 ARG H . 18316 1 88 . 1 1 16 16 ARG HA H 1 5.079 0.01 . 1 . . . A 156 ARG HA . 18316 1 89 . 1 1 16 16 ARG CA C 13 54.05 0.01 . 1 . . . A 156 ARG CA . 18316 1 90 . 1 1 16 16 ARG N N 15 119.77 0.01 . 1 . . . A 156 ARG N . 18316 1 91 . 1 1 17 17 PRO HA H 1 4.238 0.01 . 1 . . . A 157 PRO HA . 18316 1 92 . 1 1 17 17 PRO C C 13 180.15 0.01 . 1 . . . A 157 PRO C . 18316 1 93 . 1 1 17 17 PRO CA C 13 66.52 0.01 . 1 . . . A 157 PRO CA . 18316 1 94 . 1 1 17 17 PRO CB C 13 31.59 0.01 . 1 . . . A 157 PRO CB . 18316 1 95 . 1 1 18 18 LYS H H 1 8.496 0.01 . 1 . . . A 158 LYS H . 18316 1 96 . 1 1 18 18 LYS HA H 1 4.251 0.01 . 1 . . . A 158 LYS HA . 18316 1 97 . 1 1 18 18 LYS C C 13 176.92 0.01 . 1 . . . A 158 LYS C . 18316 1 98 . 1 1 18 18 LYS CA C 13 58.36 0.01 . 1 . . . A 158 LYS CA . 18316 1 99 . 1 1 18 18 LYS CB C 13 31.81 0.01 . 1 . . . A 158 LYS CB . 18316 1 100 . 1 1 18 18 LYS N N 15 115.21 0.01 . 1 . . . A 158 LYS N . 18316 1 101 . 1 1 19 19 ALA H H 1 7.910 0.01 . 1 . . . A 159 ALA H . 18316 1 102 . 1 1 19 19 ALA HA H 1 4.529 0.01 . 1 . . . A 159 ALA HA . 18316 1 103 . 1 1 19 19 ALA C C 13 177.55 0.01 . 1 . . . A 159 ALA C . 18316 1 104 . 1 1 19 19 ALA CA C 13 52.33 0.01 . 1 . . . A 159 ALA CA . 18316 1 105 . 1 1 19 19 ALA CB C 13 19.28 0.01 . 1 . . . A 159 ALA CB . 18316 1 106 . 1 1 19 19 ALA N N 15 120.17 0.01 . 1 . . . A 159 ALA N . 18316 1 107 . 1 1 20 20 GLU H H 1 7.554 0.01 . 1 . . . A 160 GLU H . 18316 1 108 . 1 1 20 20 GLU HA H 1 3.550 0.01 . 1 . . . A 160 GLU HA . 18316 1 109 . 1 1 20 20 GLU C C 13 177.56 0.01 . 1 . . . A 160 GLU C . 18316 1 110 . 1 1 20 20 GLU CA C 13 61.12 0.01 . 1 . . . A 160 GLU CA . 18316 1 111 . 1 1 20 20 GLU CB C 13 29.19 0.01 . 1 . . . A 160 GLU CB . 18316 1 112 . 1 1 20 20 GLU N N 15 119.12 0.01 . 1 . . . A 160 GLU N . 18316 1 113 . 1 1 21 21 THR H H 1 8.284 0.01 . 1 . . . A 161 THR H . 18316 1 114 . 1 1 21 21 THR HA H 1 3.984 0.01 . 1 . . . A 161 THR HA . 18316 1 115 . 1 1 21 21 THR C C 13 176.51 0.01 . 1 . . . A 161 THR C . 18316 1 116 . 1 1 21 21 THR CA C 13 66.20 0.01 . 1 . . . A 161 THR CA . 18316 1 117 . 1 1 21 21 THR CB C 13 68.16 0.01 . 1 . . . A 161 THR CB . 18316 1 118 . 1 1 21 21 THR N N 15 111.74 0.01 . 1 . . . A 161 THR N . 18316 1 119 . 1 1 22 22 TYR H H 1 7.338 0.01 . 1 . . . A 162 TYR H . 18316 1 120 . 1 1 22 22 TYR HA H 1 4.423 0.01 . 1 . . . A 162 TYR HA . 18316 1 121 . 1 1 22 22 TYR C C 13 178.82 0.01 . 1 . . . A 162 TYR C . 18316 1 122 . 1 1 22 22 TYR CA C 13 60.13 0.01 . 1 . . . A 162 TYR CA . 18316 1 123 . 1 1 22 22 TYR CB C 13 37.73 0.01 . 1 . . . A 162 TYR CB . 18316 1 124 . 1 1 22 22 TYR N N 15 121.26 0.01 . 1 . . . A 162 TYR N . 18316 1 125 . 1 1 23 23 VAL H H 1 8.410 0.01 . 1 . . . A 163 VAL H . 18316 1 126 . 1 1 23 23 VAL HA H 1 3.542 0.01 . 1 . . . A 163 VAL HA . 18316 1 127 . 1 1 23 23 VAL C C 13 177.95 0.01 . 1 . . . A 163 VAL C . 18316 1 128 . 1 1 23 23 VAL CA C 13 67.23 0.01 . 1 . . . A 163 VAL CA . 18316 1 129 . 1 1 23 23 VAL CB C 13 31.40 0.01 . 1 . . . A 163 VAL CB . 18316 1 130 . 1 1 23 23 VAL N N 15 122.68 0.01 . 1 . . . A 163 VAL N . 18316 1 131 . 1 1 24 24 ARG H H 1 8.606 0.01 . 1 . . . A 164 ARG H . 18316 1 132 . 1 1 24 24 ARG HA H 1 3.673 0.01 . 1 . . . A 164 ARG HA . 18316 1 133 . 1 1 24 24 ARG C C 13 177.49 0.01 . 1 . . . A 164 ARG C . 18316 1 134 . 1 1 24 24 ARG CA C 13 60.99 0.01 . 1 . . . A 164 ARG CA . 18316 1 135 . 1 1 24 24 ARG CB C 13 30.09 0.01 . 1 . . . A 164 ARG CB . 18316 1 136 . 1 1 24 24 ARG N N 15 118.20 0.01 . 1 . . . A 164 ARG N . 18316 1 137 . 1 1 25 25 ALA H H 1 7.788 0.01 . 1 . . . A 165 ALA H . 18316 1 138 . 1 1 25 25 ALA HA H 1 4.054 0.01 . 1 . . . A 165 ALA HA . 18316 1 139 . 1 1 25 25 ALA C C 13 180.37 0.01 . 1 . . . A 165 ALA C . 18316 1 140 . 1 1 25 25 ALA CA C 13 55.15 0.01 . 1 . . . A 165 ALA CA . 18316 1 141 . 1 1 25 25 ALA CB C 13 17.83 0.01 . 1 . . . A 165 ALA CB . 18316 1 142 . 1 1 25 25 ALA N N 15 118.27 0.01 . 1 . . . A 165 ALA N . 18316 1 143 . 1 1 26 26 HIS H H 1 8.191 0.01 . 1 . . . A 166 HIS H . 18316 1 144 . 1 1 26 26 HIS HA H 1 4.215 0.01 . 1 . . . A 166 HIS HA . 18316 1 145 . 1 1 26 26 HIS C C 13 177.16 0.01 . 1 . . . A 166 HIS C . 18316 1 146 . 1 1 26 26 HIS CA C 13 59.54 0.01 . 1 . . . A 166 HIS CA . 18316 1 147 . 1 1 26 26 HIS CB C 13 28.94 0.01 . 1 . . . A 166 HIS CB . 18316 1 148 . 1 1 26 26 HIS N N 15 116.93 0.01 . 1 . . . A 166 HIS N . 18316 1 149 . 1 1 27 27 ILE H H 1 8.237 0.01 . 1 . . . A 167 ILE H . 18316 1 150 . 1 1 27 27 ILE HA H 1 3.495 0.01 . 1 . . . A 167 ILE HA . 18316 1 151 . 1 1 27 27 ILE C C 13 178.68 0.01 . 1 . . . A 167 ILE C . 18316 1 152 . 1 1 27 27 ILE CA C 13 66.61 0.01 . 1 . . . A 167 ILE CA . 18316 1 153 . 1 1 27 27 ILE CB C 13 37.74 0.01 . 1 . . . A 167 ILE CB . 18316 1 154 . 1 1 27 27 ILE N N 15 118.60 0.01 . 1 . . . A 167 ILE N . 18316 1 155 . 1 1 28 28 VAL H H 1 8.589 0.01 . 1 . . . A 168 VAL H . 18316 1 156 . 1 1 28 28 VAL HA H 1 3.414 0.01 . 1 . . . A 168 VAL HA . 18316 1 157 . 1 1 28 28 VAL C C 13 178.45 0.01 . 1 . . . A 168 VAL C . 18316 1 158 . 1 1 28 28 VAL CA C 13 67.20 0.01 . 1 . . . A 168 VAL CA . 18316 1 159 . 1 1 28 28 VAL CB C 13 31.55 0.01 . 1 . . . A 168 VAL CB . 18316 1 160 . 1 1 28 28 VAL N N 15 121.96 0.01 . 1 . . . A 168 VAL N . 18316 1 161 . 1 1 29 29 GLN H H 1 8.228 0.01 . 1 . . . A 169 GLN H . 18316 1 162 . 1 1 29 29 GLN HA H 1 4.039 0.01 . 1 . . . A 169 GLN HA . 18316 1 163 . 1 1 29 29 GLN C C 13 179.24 0.01 . 1 . . . A 169 GLN C . 18316 1 164 . 1 1 29 29 GLN CA C 13 59.23 0.01 . 1 . . . A 169 GLN CA . 18316 1 165 . 1 1 29 29 GLN CB C 13 28.30 0.01 . 1 . . . A 169 GLN CB . 18316 1 166 . 1 1 29 29 GLN N N 15 118.92 0.01 . 1 . . . A 169 GLN N . 18316 1 167 . 1 1 30 30 ARG H H 1 8.017 0.01 . 1 . . . A 170 ARG H . 18316 1 168 . 1 1 30 30 ARG HA H 1 4.258 0.01 . 1 . . . A 170 ARG HA . 18316 1 169 . 1 1 30 30 ARG C C 13 178.03 0.01 . 1 . . . A 170 ARG C . 18316 1 170 . 1 1 30 30 ARG CA C 13 56.16 0.01 . 1 . . . A 170 ARG CA . 18316 1 171 . 1 1 30 30 ARG CB C 13 29.87 0.01 . 1 . . . A 170 ARG CB . 18316 1 172 . 1 1 30 30 ARG N N 15 116.05 0.01 . 1 . . . A 170 ARG N . 18316 1 173 . 1 1 31 31 THR H H 1 7.852 0.01 . 1 . . . A 171 THR H . 18316 1 174 . 1 1 31 31 THR HA H 1 4.416 0.01 . 1 . . . A 171 THR HA . 18316 1 175 . 1 1 31 31 THR C C 13 175.26 0.01 . 1 . . . A 171 THR C . 18316 1 176 . 1 1 31 31 THR CA C 13 62.93 0.01 . 1 . . . A 171 THR CA . 18316 1 177 . 1 1 31 31 THR CB C 13 68.07 0.01 . 1 . . . A 171 THR CB . 18316 1 178 . 1 1 31 31 THR N N 15 108.86 0.01 . 1 . . . A 171 THR N . 18316 1 179 . 1 1 32 32 SER H H 1 7.637 0.01 . 1 . . . A 172 SER H . 18316 1 180 . 1 1 32 32 SER HA H 1 4.579 0.01 . 1 . . . A 172 SER HA . 18316 1 181 . 1 1 32 32 SER C C 13 175.71 0.01 . 1 . . . A 172 SER C . 18316 1 182 . 1 1 32 32 SER CA C 13 60.20 0.01 . 1 . . . A 172 SER CA . 18316 1 183 . 1 1 32 32 SER CB C 13 63.30 0.01 . 1 . . . A 172 SER CB . 18316 1 184 . 1 1 32 32 SER N N 15 116.84 0.01 . 1 . . . A 172 SER N . 18316 1 185 . 1 1 33 33 SER H H 1 7.936 0.01 . 1 . . . A 173 SER H . 18316 1 186 . 1 1 33 33 SER HA H 1 4.537 0.01 . 1 . . . A 173 SER HA . 18316 1 187 . 1 1 33 33 SER C C 13 174.41 0.01 . 1 . . . A 173 SER C . 18316 1 188 . 1 1 33 33 SER CA C 13 58.67 0.01 . 1 . . . A 173 SER CA . 18316 1 189 . 1 1 33 33 SER CB C 13 63.78 0.01 . 1 . . . A 173 SER CB . 18316 1 190 . 1 1 33 33 SER N N 15 115.83 0.01 . 1 . . . A 173 SER N . 18316 1 191 . 1 1 34 34 ASN H H 1 8.113 0.01 . 1 . . . A 174 ASN H . 18316 1 192 . 1 1 34 34 ASN HA H 1 4.743 0.01 . 1 . . . A 174 ASN HA . 18316 1 193 . 1 1 34 34 ASN C C 13 174.43 0.01 . 1 . . . A 174 ASN C . 18316 1 194 . 1 1 34 34 ASN CA C 13 54.00 0.01 . 1 . . . A 174 ASN CA . 18316 1 195 . 1 1 34 34 ASN CB C 13 39.00 0.01 . 1 . . . A 174 ASN CB . 18316 1 196 . 1 1 34 34 ASN N N 15 117.31 0.01 . 1 . . . A 174 ASN N . 18316 1 197 . 1 1 35 35 ASP H H 1 8.358 0.01 . 1 . . . A 175 ASP H . 18316 1 198 . 1 1 35 35 ASP HA H 1 4.444 0.01 . 1 . . . A 175 ASP HA . 18316 1 199 . 1 1 35 35 ASP C C 13 174.88 0.01 . 1 . . . A 175 ASP C . 18316 1 200 . 1 1 35 35 ASP CA C 13 55.12 0.01 . 1 . . . A 175 ASP CA . 18316 1 201 . 1 1 35 35 ASP CB C 13 39.60 0.01 . 1 . . . A 175 ASP CB . 18316 1 202 . 1 1 35 35 ASP N N 15 116.82 0.01 . 1 . . . A 175 ASP N . 18316 1 203 . 1 1 36 36 ILE H H 1 7.715 0.01 . 1 . . . A 176 ILE H . 18316 1 204 . 1 1 36 36 ILE HA H 1 4.463 0.01 . 1 . . . A 176 ILE HA . 18316 1 205 . 1 1 36 36 ILE C C 13 174.70 0.01 . 1 . . . A 176 ILE C . 18316 1 206 . 1 1 36 36 ILE CA C 13 60.85 0.01 . 1 . . . A 176 ILE CA . 18316 1 207 . 1 1 36 36 ILE CB C 13 40.74 0.01 . 1 . . . A 176 ILE CB . 18316 1 208 . 1 1 36 36 ILE N N 15 118.96 0.01 . 1 . . . A 176 ILE N . 18316 1 209 . 1 1 37 37 THR H H 1 8.773 0.01 . 1 . . . A 177 THR H . 18316 1 210 . 1 1 37 37 THR HA H 1 4.482 0.01 . 1 . . . A 177 THR HA . 18316 1 211 . 1 1 37 37 THR C C 13 173.04 0.01 . 1 . . . A 177 THR C . 18316 1 212 . 1 1 37 37 THR CA C 13 62.39 0.01 . 1 . . . A 177 THR CA . 18316 1 213 . 1 1 37 37 THR CB C 13 70.32 0.01 . 1 . . . A 177 THR CB . 18316 1 214 . 1 1 37 37 THR N N 15 122.48 0.01 . 1 . . . A 177 THR N . 18316 1 215 . 1 1 38 38 LEU H H 1 9.067 0.01 . 1 . . . A 178 LEU H . 18316 1 216 . 1 1 38 38 LEU HA H 1 4.688 0.01 . 1 . . . A 178 LEU HA . 18316 1 217 . 1 1 38 38 LEU C C 13 175.97 0.01 . 1 . . . A 178 LEU C . 18316 1 218 . 1 1 38 38 LEU CA C 13 54.16 0.01 . 1 . . . A 178 LEU CA . 18316 1 219 . 1 1 38 38 LEU CB C 13 43.05 0.01 . 1 . . . A 178 LEU CB . 18316 1 220 . 1 1 38 38 LEU N N 15 129.77 0.01 . 1 . . . A 178 LEU N . 18316 1 221 . 1 1 39 39 ARG H H 1 9.187 0.01 . 1 . . . A 179 ARG H . 18316 1 222 . 1 1 39 39 ARG HA H 1 4.520 0.01 . 1 . . . A 179 ARG HA . 18316 1 223 . 1 1 39 39 ARG C C 13 176.52 0.01 . 1 . . . A 179 ARG C . 18316 1 224 . 1 1 39 39 ARG CA C 13 55.81 0.01 . 1 . . . A 179 ARG CA . 18316 1 225 . 1 1 39 39 ARG CB C 13 30.31 0.01 . 1 . . . A 179 ARG CB . 18316 1 226 . 1 1 39 39 ARG N N 15 127.92 0.01 . 1 . . . A 179 ARG N . 18316 1 227 . 1 1 40 40 GLY H H 1 7.287 0.01 . 1 . . . A 180 GLY H . 18316 1 228 . 1 1 40 40 GLY HA2 H 1 4.381 0.01 . 2 . . . A 180 GLY HA2 . 18316 1 229 . 1 1 40 40 GLY HA3 H 1 3.988 0.01 . 2 . . . A 180 GLY HA3 . 18316 1 230 . 1 1 40 40 GLY C C 13 171.37 0.01 . 1 . . . A 180 GLY C . 18316 1 231 . 1 1 40 40 GLY CA C 13 45.57 0.01 . 1 . . . A 180 GLY CA . 18316 1 232 . 1 1 40 40 GLY N N 15 105.03 0.01 . 1 . . . A 180 GLY N . 18316 1 233 . 1 1 41 41 ILE H H 1 8.495 0.01 . 1 . . . A 181 ILE H . 18316 1 234 . 1 1 41 41 ILE HA H 1 5.115 0.01 . 1 . . . A 181 ILE HA . 18316 1 235 . 1 1 41 41 ILE C C 13 175.00 0.01 . 1 . . . A 181 ILE C . 18316 1 236 . 1 1 41 41 ILE CA C 13 60.62 0.01 . 1 . . . A 181 ILE CA . 18316 1 237 . 1 1 41 41 ILE CB C 13 40.91 0.01 . 1 . . . A 181 ILE CB . 18316 1 238 . 1 1 41 41 ILE N N 15 120.34 0.01 . 1 . . . A 181 ILE N . 18316 1 239 . 1 1 42 42 ARG H H 1 8.951 0.01 . 1 . . . A 182 ARG H . 18316 1 240 . 1 1 42 42 ARG HA H 1 4.949 0.01 . 1 . . . A 182 ARG HA . 18316 1 241 . 1 1 42 42 ARG C C 13 175.59 0.01 . 1 . . . A 182 ARG C . 18316 1 242 . 1 1 42 42 ARG CA C 13 54.06 0.01 . 1 . . . A 182 ARG CA . 18316 1 243 . 1 1 42 42 ARG CB C 13 33.50 0.01 . 1 . . . A 182 ARG CB . 18316 1 244 . 1 1 42 42 ARG N N 15 127.70 0.01 . 1 . . . A 182 ARG N . 18316 1 245 . 1 1 43 43 THR H H 1 8.849 0.01 . 1 . . . A 183 THR H . 18316 1 246 . 1 1 43 43 THR HA H 1 5.434 0.01 . 1 . . . A 183 THR HA . 18316 1 247 . 1 1 43 43 THR C C 13 174.21 0.01 . 1 . . . A 183 THR C . 18316 1 248 . 1 1 43 43 THR CA C 13 60.84 0.01 . 1 . . . A 183 THR CA . 18316 1 249 . 1 1 43 43 THR CB C 13 70.71 0.01 . 1 . . . A 183 THR CB . 18316 1 250 . 1 1 43 43 THR N N 15 118.88 0.01 . 1 . . . A 183 THR N . 18316 1 251 . 1 1 44 44 GLY H H 1 8.864 0.01 . 1 . . . A 184 GLY H . 18316 1 252 . 1 1 44 44 GLY HA2 H 1 4.555 0.01 . 2 . . . A 184 GLY HA2 . 18316 1 253 . 1 1 44 44 GLY HA3 H 1 3.985 0.01 . 2 . . . A 184 GLY HA3 . 18316 1 254 . 1 1 44 44 GLY CA C 13 44.73 0.01 . 1 . . . A 184 GLY CA . 18316 1 255 . 1 1 44 44 GLY N N 15 112.68 0.01 . 1 . . . A 184 GLY N . 18316 1 256 . 1 1 45 45 PRO HA H 1 4.757 0.01 . 1 . . . A 185 PRO HA . 18316 1 257 . 1 1 45 45 PRO C C 13 177.18 0.01 . 1 . . . A 185 PRO C . 18316 1 258 . 1 1 45 45 PRO CA C 13 63.25 0.01 . 1 . . . A 185 PRO CA . 18316 1 259 . 1 1 45 45 PRO CB C 13 32.85 0.01 . 1 . . . A 185 PRO CB . 18316 1 260 . 1 1 46 46 ALA H H 1 8.118 0.01 . 1 . . . A 186 ALA H . 18316 1 261 . 1 1 46 46 ALA HA H 1 4.544 0.01 . 1 . . . A 186 ALA HA . 18316 1 262 . 1 1 46 46 ALA C C 13 176.50 0.01 . 1 . . . A 186 ALA C . 18316 1 263 . 1 1 46 46 ALA CA C 13 51.38 0.01 . 1 . . . A 186 ALA CA . 18316 1 264 . 1 1 46 46 ALA CB C 13 20.99 0.01 . 1 . . . A 186 ALA CB . 18316 1 265 . 1 1 46 46 ALA N N 15 124.21 0.01 . 1 . . . A 186 ALA N . 18316 1 266 . 1 1 47 47 GLY H H 1 8.182 0.01 . 1 . . . A 187 GLY H . 18316 1 267 . 1 1 47 47 GLY HA2 H 1 4.030 0.01 . 2 . . . A 187 GLY HA2 . 18316 1 268 . 1 1 47 47 GLY HA3 H 1 3.912 0.01 . 2 . . . A 187 GLY HA3 . 18316 1 269 . 1 1 47 47 GLY C C 13 173.77 0.01 . 1 . . . A 187 GLY C . 18316 1 270 . 1 1 47 47 GLY CA C 13 44.87 0.01 . 1 . . . A 187 GLY CA . 18316 1 271 . 1 1 47 47 GLY N N 15 107.61 0.01 . 1 . . . A 187 GLY N . 18316 1 272 . 1 1 48 48 ASP H H 1 8.620 0.01 . 1 . . . A 188 ASP H . 18316 1 273 . 1 1 48 48 ASP HA H 1 4.346 0.01 . 1 . . . A 188 ASP HA . 18316 1 274 . 1 1 48 48 ASP C C 13 175.14 0.01 . 1 . . . A 188 ASP C . 18316 1 275 . 1 1 48 48 ASP CA C 13 55.30 0.01 . 1 . . . A 188 ASP CA . 18316 1 276 . 1 1 48 48 ASP CB C 13 39.47 0.01 . 1 . . . A 188 ASP CB . 18316 1 277 . 1 1 48 48 ASP N N 15 118.80 0.01 . 1 . . . A 188 ASP N . 18316 1 278 . 1 1 49 49 ASP H H 1 8.492 0.01 . 1 . . . A 189 ASP H . 18316 1 279 . 1 1 49 49 ASP HA H 1 4.514 0.01 . 1 . . . A 189 ASP HA . 18316 1 280 . 1 1 49 49 ASP C C 13 175.26 0.01 . 1 . . . A 189 ASP C . 18316 1 281 . 1 1 49 49 ASP CA C 13 55.10 0.01 . 1 . . . A 189 ASP CA . 18316 1 282 . 1 1 49 49 ASP CB C 13 39.71 0.01 . 1 . . . A 189 ASP CB . 18316 1 283 . 1 1 49 49 ASP N N 15 113.46 0.01 . 1 . . . A 189 ASP N . 18316 1 284 . 1 1 50 50 ASN H H 1 7.524 0.01 . 1 . . . A 190 ASN H . 18316 1 285 . 1 1 50 50 ASN HA H 1 5.260 0.01 . 1 . . . A 190 ASN HA . 18316 1 286 . 1 1 50 50 ASN C C 13 174.27 0.01 . 1 . . . A 190 ASN C . 18316 1 287 . 1 1 50 50 ASN CA C 13 52.78 0.01 . 1 . . . A 190 ASN CA . 18316 1 288 . 1 1 50 50 ASN CB C 13 40.65 0.01 . 1 . . . A 190 ASN CB . 18316 1 289 . 1 1 50 50 ASN N N 15 115.84 0.01 . 1 . . . A 190 ASN N . 18316 1 290 . 1 1 51 51 ILE H H 1 9.056 0.01 . 1 . . . A 191 ILE H . 18316 1 291 . 1 1 51 51 ILE HA H 1 4.904 0.01 . 1 . . . A 191 ILE HA . 18316 1 292 . 1 1 51 51 ILE C C 13 174.74 0.01 . 1 . . . A 191 ILE C . 18316 1 293 . 1 1 51 51 ILE CA C 13 59.94 0.01 . 1 . . . A 191 ILE CA . 18316 1 294 . 1 1 51 51 ILE CB C 13 41.75 0.01 . 1 . . . A 191 ILE CB . 18316 1 295 . 1 1 51 51 ILE N N 15 114.38 0.01 . 1 . . . A 191 ILE N . 18316 1 296 . 1 1 52 52 THR H H 1 8.871 0.01 . 1 . . . A 192 THR H . 18316 1 297 . 1 1 52 52 THR HA H 1 5.296 0.01 . 1 . . . A 192 THR HA . 18316 1 298 . 1 1 52 52 THR C C 13 174.22 0.01 . 1 . . . A 192 THR C . 18316 1 299 . 1 1 52 52 THR CA C 13 60.46 0.01 . 1 . . . A 192 THR CA . 18316 1 300 . 1 1 52 52 THR CB C 13 70.33 0.01 . 1 . . . A 192 THR CB . 18316 1 301 . 1 1 52 52 THR N N 15 115.43 0.01 . 1 . . . A 192 THR N . 18316 1 302 . 1 1 53 53 LEU H H 1 9.609 0.01 . 1 . . . A 193 LEU H . 18316 1 303 . 1 1 53 53 LEU HA H 1 5.154 0.01 . 1 . . . A 193 LEU HA . 18316 1 304 . 1 1 53 53 LEU C C 13 175.57 0.01 . 1 . . . A 193 LEU C . 18316 1 305 . 1 1 53 53 LEU CA C 13 53.97 0.01 . 1 . . . A 193 LEU CA . 18316 1 306 . 1 1 53 53 LEU CB C 13 44.71 0.01 . 1 . . . A 193 LEU CB . 18316 1 307 . 1 1 53 53 LEU N N 15 128.46 0.01 . 1 . . . A 193 LEU N . 18316 1 308 . 1 1 54 54 THR H H 1 8.175 0.01 . 1 . . . A 194 THR H . 18316 1 309 . 1 1 54 54 THR HA H 1 5.274 0.01 . 1 . . . A 194 THR HA . 18316 1 310 . 1 1 54 54 THR C C 13 173.43 0.01 . 1 . . . A 194 THR C . 18316 1 311 . 1 1 54 54 THR CA C 13 61.53 0.01 . 1 . . . A 194 THR CA . 18316 1 312 . 1 1 54 54 THR CB C 13 69.80 0.01 . 1 . . . A 194 THR CB . 18316 1 313 . 1 1 54 54 THR N N 15 120.74 0.01 . 1 . . . A 194 THR N . 18316 1 314 . 1 1 55 55 ALA H H 1 9.633 0.01 . 1 . . . A 195 ALA H . 18316 1 315 . 1 1 55 55 ALA HA H 1 5.227 0.01 . 1 . . . A 195 ALA HA . 18316 1 316 . 1 1 55 55 ALA C C 13 175.32 0.01 . 1 . . . A 195 ALA C . 18316 1 317 . 1 1 55 55 ALA CA C 13 49.70 0.01 . 1 . . . A 195 ALA CA . 18316 1 318 . 1 1 55 55 ALA CB C 13 20.67 0.01 . 1 . . . A 195 ALA CB . 18316 1 319 . 1 1 55 55 ALA N N 15 129.70 0.01 . 1 . . . A 195 ALA N . 18316 1 320 . 1 1 56 56 HIS H H 1 8.891 0.01 . 1 . . . A 196 HIS H . 18316 1 321 . 1 1 56 56 HIS HA H 1 4.950 0.01 . 1 . . . A 196 HIS HA . 18316 1 322 . 1 1 56 56 HIS C C 13 173.45 0.01 . 1 . . . A 196 HIS C . 18316 1 323 . 1 1 56 56 HIS CA C 13 55.66 0.01 . 1 . . . A 196 HIS CA . 18316 1 324 . 1 1 56 56 HIS CB C 13 29.66 0.01 . 1 . . . A 196 HIS CB . 18316 1 325 . 1 1 56 56 HIS N N 15 122.93 0.01 . 1 . . . A 196 HIS N . 18316 1 326 . 1 1 57 57 LEU H H 1 9.258 0.01 . 1 . . . A 197 LEU H . 18316 1 327 . 1 1 57 57 LEU HA H 1 5.549 0.01 . 1 . . . A 197 LEU HA . 18316 1 328 . 1 1 57 57 LEU C C 13 176.56 0.01 . 1 . . . A 197 LEU C . 18316 1 329 . 1 1 57 57 LEU CA C 13 53.27 0.01 . 1 . . . A 197 LEU CA . 18316 1 330 . 1 1 57 57 LEU CB C 13 45.50 0.01 . 1 . . . A 197 LEU CB . 18316 1 331 . 1 1 57 57 LEU N N 15 124.65 0.01 . 1 . . . A 197 LEU N . 18316 1 332 . 1 1 58 58 LEU H H 1 8.975 0.01 . 1 . . . A 198 LEU H . 18316 1 333 . 1 1 58 58 LEU HA H 1 5.368 0.01 . 1 . . . A 198 LEU HA . 18316 1 334 . 1 1 58 58 LEU C C 13 175.49 0.01 . 1 . . . A 198 LEU C . 18316 1 335 . 1 1 58 58 LEU CA C 13 54.16 0.01 . 1 . . . A 198 LEU CA . 18316 1 336 . 1 1 58 58 LEU CB C 13 46.13 0.01 . 1 . . . A 198 LEU CB . 18316 1 337 . 1 1 58 58 LEU N N 15 121.81 0.01 . 1 . . . A 198 LEU N . 18316 1 338 . 1 1 59 59 MET H H 1 9.110 0.01 . 1 . . . A 199 MET H . 18316 1 339 . 1 1 59 59 MET HA H 1 5.050 0.01 . 1 . . . A 199 MET HA . 18316 1 340 . 1 1 59 59 MET C C 13 174.66 0.01 . 1 . . . A 199 MET C . 18316 1 341 . 1 1 59 59 MET CA C 13 54.74 0.01 . 1 . . . A 199 MET CA . 18316 1 342 . 1 1 59 59 MET CB C 13 37.69 0.01 . 1 . . . A 199 MET CB . 18316 1 343 . 1 1 59 59 MET N N 15 120.00 0.01 . 1 . . . A 199 MET N . 18316 1 344 . 1 1 60 60 VAL H H 1 8.613 0.01 . 1 . . . A 200 VAL H . 18316 1 345 . 1 1 60 60 VAL HA H 1 4.246 0.01 . 1 . . . A 200 VAL HA . 18316 1 346 . 1 1 60 60 VAL C C 13 176.67 0.01 . 1 . . . A 200 VAL C . 18316 1 347 . 1 1 60 60 VAL CA C 13 62.86 0.01 . 1 . . . A 200 VAL CA . 18316 1 348 . 1 1 60 60 VAL CB C 13 32.23 0.01 . 1 . . . A 200 VAL CB . 18316 1 349 . 1 1 60 60 VAL N N 15 123.60 0.01 . 1 . . . A 200 VAL N . 18316 1 350 . 1 1 61 61 GLY H H 1 8.492 0.01 . 1 . . . A 201 GLY H . 18316 1 351 . 1 1 61 61 GLY HA2 H 1 4.165 0.01 . 2 . . . A 201 GLY HA2 . 18316 1 352 . 1 1 61 61 GLY HA3 H 1 3.891 0.01 . 2 . . . A 201 GLY HA3 . 18316 1 353 . 1 1 61 61 GLY C C 13 173.33 0.01 . 1 . . . A 201 GLY C . 18316 1 354 . 1 1 61 61 GLY CA C 13 44.91 0.01 . 1 . . . A 201 GLY CA . 18316 1 355 . 1 1 61 61 GLY N N 15 113.46 0.01 . 1 . . . A 201 GLY N . 18316 1 356 . 1 1 62 62 HIS H H 1 8.614 0.01 . 1 . . . A 202 HIS H . 18316 1 357 . 1 1 62 62 HIS HA H 1 4.927 0.01 . 1 . . . A 202 HIS HA . 18316 1 358 . 1 1 62 62 HIS C C 13 174.41 0.01 . 1 . . . A 202 HIS C . 18316 1 359 . 1 1 62 62 HIS CA C 13 55.19 0.01 . 1 . . . A 202 HIS CA . 18316 1 360 . 1 1 62 62 HIS CB C 13 28.71 0.01 . 1 . . . A 202 HIS CB . 18316 1 361 . 1 1 62 62 HIS N N 15 116.80 0.01 . 1 . . . A 202 HIS N . 18316 1 362 . 1 1 63 63 THR H H 1 7.996 0.01 . 1 . . . A 203 THR H . 18316 1 363 . 1 1 63 63 THR HA H 1 4.736 0.01 . 1 . . . A 203 THR HA . 18316 1 364 . 1 1 63 63 THR CA C 13 58.49 0.01 . 1 . . . A 203 THR CA . 18316 1 365 . 1 1 63 63 THR N N 15 113.64 0.01 . 1 . . . A 203 THR N . 18316 1 366 . 1 1 64 64 PRO HA H 1 3.913 0.01 . 1 . . . A 204 PRO HA . 18316 1 367 . 1 1 64 64 PRO C C 13 177.02 0.01 . 1 . . . A 204 PRO C . 18316 1 368 . 1 1 64 64 PRO CA C 13 63.92 0.01 . 1 . . . A 204 PRO CA . 18316 1 369 . 1 1 64 64 PRO CB C 13 32.91 0.01 . 1 . . . A 204 PRO CB . 18316 1 370 . 1 1 65 65 ALA H H 1 8.051 0.01 . 1 . . . A 205 ALA H . 18316 1 371 . 1 1 65 65 ALA HA H 1 4.054 0.01 . 1 . . . A 205 ALA HA . 18316 1 372 . 1 1 65 65 ALA C C 13 180.11 0.01 . 1 . . . A 205 ALA C . 18316 1 373 . 1 1 65 65 ALA CA C 13 55.77 0.01 . 1 . . . A 205 ALA CA . 18316 1 374 . 1 1 65 65 ALA CB C 13 18.50 0.01 . 1 . . . A 205 ALA CB . 18316 1 375 . 1 1 65 65 ALA N N 15 123.72 0.01 . 1 . . . A 205 ALA N . 18316 1 376 . 1 1 66 66 LYS H H 1 8.194 0.01 . 1 . . . A 206 LYS H . 18316 1 377 . 1 1 66 66 LYS HA H 1 3.891 0.01 . 1 . . . A 206 LYS HA . 18316 1 378 . 1 1 66 66 LYS C C 13 179.17 0.01 . 1 . . . A 206 LYS C . 18316 1 379 . 1 1 66 66 LYS CA C 13 59.54 0.01 . 1 . . . A 206 LYS CA . 18316 1 380 . 1 1 66 66 LYS CB C 13 32.90 0.01 . 1 . . . A 206 LYS CB . 18316 1 381 . 1 1 66 66 LYS N N 15 115.16 0.01 . 1 . . . A 206 LYS N . 18316 1 382 . 1 1 67 67 LEU H H 1 6.923 0.01 . 1 . . . A 207 LEU H . 18316 1 383 . 1 1 67 67 LEU HA H 1 3.700 0.01 . 1 . . . A 207 LEU HA . 18316 1 384 . 1 1 67 67 LEU C C 13 177.75 0.01 . 1 . . . A 207 LEU C . 18316 1 385 . 1 1 67 67 LEU CA C 13 56.35 0.01 . 1 . . . A 207 LEU CA . 18316 1 386 . 1 1 67 67 LEU CB C 13 40.11 0.01 . 1 . . . A 207 LEU CB . 18316 1 387 . 1 1 67 67 LEU N N 15 119.28 0.01 . 1 . . . A 207 LEU N . 18316 1 388 . 1 1 68 68 GLU H H 1 7.758 0.01 . 1 . . . A 208 GLU H . 18316 1 389 . 1 1 68 68 GLU HA H 1 3.796 0.01 . 1 . . . A 208 GLU HA . 18316 1 390 . 1 1 68 68 GLU C C 13 179.53 0.01 . 1 . . . A 208 GLU C . 18316 1 391 . 1 1 68 68 GLU CA C 13 59.28 0.01 . 1 . . . A 208 GLU CA . 18316 1 392 . 1 1 68 68 GLU CB C 13 28.82 0.01 . 1 . . . A 208 GLU CB . 18316 1 393 . 1 1 68 68 GLU N N 15 118.55 0.01 . 1 . . . A 208 GLU N . 18316 1 394 . 1 1 69 69 ARG H H 1 7.771 0.01 . 1 . . . A 209 ARG H . 18316 1 395 . 1 1 69 69 ARG HA H 1 4.094 0.01 . 1 . . . A 209 ARG HA . 18316 1 396 . 1 1 69 69 ARG C C 13 177.94 0.01 . 1 . . . A 209 ARG C . 18316 1 397 . 1 1 69 69 ARG CA C 13 59.01 0.01 . 1 . . . A 209 ARG CA . 18316 1 398 . 1 1 69 69 ARG CB C 13 29.76 0.01 . 1 . . . A 209 ARG CB . 18316 1 399 . 1 1 69 69 ARG N N 15 118.63 0.01 . 1 . . . A 209 ARG N . 18316 1 400 . 1 1 70 70 LEU H H 1 7.228 0.01 . 1 . . . A 210 LEU H . 18316 1 401 . 1 1 70 70 LEU HA H 1 4.138 0.01 . 1 . . . A 210 LEU HA . 18316 1 402 . 1 1 70 70 LEU C C 13 178.40 0.01 . 1 . . . A 210 LEU C . 18316 1 403 . 1 1 70 70 LEU CA C 13 58.15 0.01 . 1 . . . A 210 LEU CA . 18316 1 404 . 1 1 70 70 LEU CB C 13 41.44 0.01 . 1 . . . A 210 LEU CB . 18316 1 405 . 1 1 70 70 LEU N N 15 120.46 0.01 . 1 . . . A 210 LEU N . 18316 1 406 . 1 1 71 71 VAL H H 1 8.321 0.01 . 1 . . . A 211 VAL H . 18316 1 407 . 1 1 71 71 VAL HA H 1 3.494 0.01 . 1 . . . A 211 VAL HA . 18316 1 408 . 1 1 71 71 VAL C C 13 177.68 0.01 . 1 . . . A 211 VAL C . 18316 1 409 . 1 1 71 71 VAL CA C 13 66.92 0.01 . 1 . . . A 211 VAL CA . 18316 1 410 . 1 1 71 71 VAL CB C 13 31.12 0.01 . 1 . . . A 211 VAL CB . 18316 1 411 . 1 1 71 71 VAL N N 15 117.46 0.01 . 1 . . . A 211 VAL N . 18316 1 412 . 1 1 72 72 ALA H H 1 8.009 0.01 . 1 . . . A 212 ALA H . 18316 1 413 . 1 1 72 72 ALA HA H 1 4.081 0.01 . 1 . . . A 212 ALA HA . 18316 1 414 . 1 1 72 72 ALA C C 13 180.70 0.01 . 1 . . . A 212 ALA C . 18316 1 415 . 1 1 72 72 ALA CA C 13 55.20 0.01 . 1 . . . A 212 ALA CA . 18316 1 416 . 1 1 72 72 ALA CB C 13 17.91 0.01 . 1 . . . A 212 ALA CB . 18316 1 417 . 1 1 72 72 ALA N N 15 123.46 0.01 . 1 . . . A 212 ALA N . 18316 1 418 . 1 1 73 73 GLU H H 1 8.017 0.01 . 1 . . . A 213 GLU H . 18316 1 419 . 1 1 73 73 GLU HA H 1 3.971 0.01 . 1 . . . A 213 GLU HA . 18316 1 420 . 1 1 73 73 GLU C C 13 180.65 0.01 . 1 . . . A 213 GLU C . 18316 1 421 . 1 1 73 73 GLU CA C 13 59.15 0.01 . 1 . . . A 213 GLU CA . 18316 1 422 . 1 1 73 73 GLU CB C 13 29.60 0.01 . 1 . . . A 213 GLU CB . 18316 1 423 . 1 1 73 73 GLU N N 15 117.38 0.01 . 1 . . . A 213 GLU N . 18316 1 424 . 1 1 74 74 LEU H H 1 8.358 0.01 . 1 . . . A 214 LEU H . 18316 1 425 . 1 1 74 74 LEU HA H 1 3.932 0.01 . 1 . . . A 214 LEU HA . 18316 1 426 . 1 1 74 74 LEU C C 13 178.18 0.01 . 1 . . . A 214 LEU C . 18316 1 427 . 1 1 74 74 LEU CA C 13 57.63 0.01 . 1 . . . A 214 LEU CA . 18316 1 428 . 1 1 74 74 LEU CB C 13 42.67 0.01 . 1 . . . A 214 LEU CB . 18316 1 429 . 1 1 74 74 LEU N N 15 119.31 0.01 . 1 . . . A 214 LEU N . 18316 1 430 . 1 1 75 75 SER H H 1 7.987 0.01 . 1 . . . A 215 SER H . 18316 1 431 . 1 1 75 75 SER HA H 1 3.971 0.01 . 1 . . . A 215 SER HA . 18316 1 432 . 1 1 75 75 SER C C 13 174.27 0.01 . 1 . . . A 215 SER C . 18316 1 433 . 1 1 75 75 SER CA C 13 61.21 0.01 . 1 . . . A 215 SER CA . 18316 1 434 . 1 1 75 75 SER CB C 13 63.17 0.01 . 1 . . . A 215 SER CB . 18316 1 435 . 1 1 75 75 SER N N 15 111.79 0.01 . 1 . . . A 215 SER N . 18316 1 436 . 1 1 76 76 LEU H H 1 6.947 0.01 . 1 . . . A 216 LEU H . 18316 1 437 . 1 1 76 76 LEU HA H 1 4.324 0.01 . 1 . . . A 216 LEU HA . 18316 1 438 . 1 1 76 76 LEU C C 13 177.76 0.01 . 1 . . . A 216 LEU C . 18316 1 439 . 1 1 76 76 LEU CA C 13 54.47 0.01 . 1 . . . A 216 LEU CA . 18316 1 440 . 1 1 76 76 LEU CB C 13 42.58 0.01 . 1 . . . A 216 LEU CB . 18316 1 441 . 1 1 76 76 LEU N N 15 118.37 0.01 . 1 . . . A 216 LEU N . 18316 1 442 . 1 1 77 77 GLN H H 1 7.409 0.01 . 1 . . . A 217 GLN H . 18316 1 443 . 1 1 77 77 GLN HA H 1 4.272 0.01 . 1 . . . A 217 GLN HA . 18316 1 444 . 1 1 77 77 GLN CA C 13 53.50 0.01 . 1 . . . A 217 GLN CA . 18316 1 445 . 1 1 77 77 GLN N N 15 120.78 0.01 . 1 . . . A 217 GLN N . 18316 1 446 . 1 1 78 78 PRO HA H 1 4.293 0.01 . 1 . . . A 218 PRO HA . 18316 1 447 . 1 1 78 78 PRO C C 13 177.71 0.01 . 1 . . . A 218 PRO C . 18316 1 448 . 1 1 78 78 PRO CA C 13 63.53 0.01 . 1 . . . A 218 PRO CA . 18316 1 449 . 1 1 78 78 PRO CB C 13 31.46 0.01 . 1 . . . A 218 PRO CB . 18316 1 450 . 1 1 79 79 GLY H H 1 8.732 0.01 . 1 . . . A 219 GLY H . 18316 1 451 . 1 1 79 79 GLY HA2 H 1 3.988 0.01 . 2 . . . A 219 GLY HA2 . 18316 1 452 . 1 1 79 79 GLY HA3 H 1 3.443 0.01 . 2 . . . A 219 GLY HA3 . 18316 1 453 . 1 1 79 79 GLY C C 13 172.68 0.01 . 1 . . . A 219 GLY C . 18316 1 454 . 1 1 79 79 GLY CA C 13 45.08 0.01 . 1 . . . A 219 GLY CA . 18316 1 455 . 1 1 79 79 GLY N N 15 110.66 0.01 . 1 . . . A 219 GLY N . 18316 1 456 . 1 1 80 80 VAL H H 1 7.317 0.01 . 1 . . . A 220 VAL H . 18316 1 457 . 1 1 80 80 VAL HA H 1 3.879 0.01 . 1 . . . A 220 VAL HA . 18316 1 458 . 1 1 80 80 VAL C C 13 175.70 0.01 . 1 . . . A 220 VAL C . 18316 1 459 . 1 1 80 80 VAL CA C 13 63.00 0.01 . 1 . . . A 220 VAL CA . 18316 1 460 . 1 1 80 80 VAL CB C 13 31.62 0.01 . 1 . . . A 220 VAL CB . 18316 1 461 . 1 1 80 80 VAL N N 15 119.02 0.01 . 1 . . . A 220 VAL N . 18316 1 462 . 1 1 81 81 TYR H H 1 8.954 0.01 . 1 . . . A 221 TYR H . 18316 1 463 . 1 1 81 81 TYR HA H 1 4.682 0.01 . 1 . . . A 221 TYR HA . 18316 1 464 . 1 1 81 81 TYR C C 13 175.60 0.01 . 1 . . . A 221 TYR C . 18316 1 465 . 1 1 81 81 TYR CA C 13 58.60 0.01 . 1 . . . A 221 TYR CA . 18316 1 466 . 1 1 81 81 TYR CB C 13 39.84 0.01 . 1 . . . A 221 TYR CB . 18316 1 467 . 1 1 81 81 TYR N N 15 127.78 0.01 . 1 . . . A 221 TYR N . 18316 1 468 . 1 1 82 82 ALA H H 1 7.739 0.01 . 1 . . . A 222 ALA H . 18316 1 469 . 1 1 82 82 ALA HA H 1 4.612 0.01 . 1 . . . A 222 ALA HA . 18316 1 470 . 1 1 82 82 ALA C C 13 175.32 0.01 . 1 . . . A 222 ALA C . 18316 1 471 . 1 1 82 82 ALA CA C 13 52.22 0.01 . 1 . . . A 222 ALA CA . 18316 1 472 . 1 1 82 82 ALA CB C 13 22.48 0.01 . 1 . . . A 222 ALA CB . 18316 1 473 . 1 1 82 82 ALA N N 15 119.07 0.01 . 1 . . . A 222 ALA N . 18316 1 474 . 1 1 83 83 VAL H H 1 8.256 0.01 . 1 . . . A 223 VAL H . 18316 1 475 . 1 1 83 83 VAL HA H 1 5.115 0.01 . 1 . . . A 223 VAL HA . 18316 1 476 . 1 1 83 83 VAL C C 13 173.53 0.01 . 1 . . . A 223 VAL C . 18316 1 477 . 1 1 83 83 VAL CA C 13 60.65 0.01 . 1 . . . A 223 VAL CA . 18316 1 478 . 1 1 83 83 VAL CB C 13 33.96 0.01 . 1 . . . A 223 VAL CB . 18316 1 479 . 1 1 83 83 VAL N N 15 118.89 0.01 . 1 . . . A 223 VAL N . 18316 1 480 . 1 1 84 84 HIS H H 1 8.845 0.01 . 1 . . . A 224 HIS H . 18316 1 481 . 1 1 84 84 HIS HA H 1 5.017 0.01 . 1 . . . A 224 HIS HA . 18316 1 482 . 1 1 84 84 HIS C C 13 172.68 0.01 . 1 . . . A 224 HIS C . 18316 1 483 . 1 1 84 84 HIS CA C 13 54.34 0.01 . 1 . . . A 224 HIS CA . 18316 1 484 . 1 1 84 84 HIS CB C 13 33.65 0.01 . 1 . . . A 224 HIS CB . 18316 1 485 . 1 1 84 84 HIS N N 15 122.50 0.01 . 1 . . . A 224 HIS N . 18316 1 486 . 1 1 85 85 TRP H H 1 8.324 0.01 . 1 . . . A 225 TRP H . 18316 1 487 . 1 1 85 85 TRP HA H 1 5.906 0.01 . 1 . . . A 225 TRP HA . 18316 1 488 . 1 1 85 85 TRP C C 13 173.42 0.01 . 1 . . . A 225 TRP C . 18316 1 489 . 1 1 85 85 TRP CA C 13 54.41 0.01 . 1 . . . A 225 TRP CA . 18316 1 490 . 1 1 85 85 TRP CB C 13 32.79 0.01 . 1 . . . A 225 TRP CB . 18316 1 491 . 1 1 85 85 TRP N N 15 119.25 0.01 . 1 . . . A 225 TRP N . 18316 1 492 . 1 1 86 86 TYR H H 1 9.155 0.01 . 1 . . . A 226 TYR H . 18316 1 493 . 1 1 86 86 TYR HA H 1 4.605 0.01 . 1 . . . A 226 TYR HA . 18316 1 494 . 1 1 86 86 TYR C C 13 174.77 0.01 . 1 . . . A 226 TYR C . 18316 1 495 . 1 1 86 86 TYR CA C 13 56.58 0.01 . 1 . . . A 226 TYR CA . 18316 1 496 . 1 1 86 86 TYR CB C 13 41.80 0.01 . 1 . . . A 226 TYR CB . 18316 1 497 . 1 1 86 86 TYR N N 15 116.78 0.01 . 1 . . . A 226 TYR N . 18316 1 498 . 1 1 87 87 ALA H H 1 9.100 0.01 . 1 . . . A 227 ALA H . 18316 1 499 . 1 1 87 87 ALA HA H 1 4.626 0.01 . 1 . . . A 227 ALA HA . 18316 1 500 . 1 1 87 87 ALA C C 13 177.92 0.01 . 1 . . . A 227 ALA C . 18316 1 501 . 1 1 87 87 ALA CA C 13 52.14 0.01 . 1 . . . A 227 ALA CA . 18316 1 502 . 1 1 87 87 ALA CB C 13 20.02 0.01 . 1 . . . A 227 ALA CB . 18316 1 503 . 1 1 87 87 ALA N N 15 125.91 0.01 . 1 . . . A 227 ALA N . 18316 1 504 . 1 1 88 88 GLY H H 1 7.998 0.01 . 1 . . . A 228 GLY H . 18316 1 505 . 1 1 88 88 GLY HA2 H 1 4.048 0.01 . 2 . . . A 228 GLY HA2 . 18316 1 506 . 1 1 88 88 GLY HA3 H 1 3.774 0.01 . 2 . . . A 228 GLY HA3 . 18316 1 507 . 1 1 88 88 GLY C C 13 173.14 0.01 . 1 . . . A 228 GLY C . 18316 1 508 . 1 1 88 88 GLY CA C 13 44.94 0.01 . 1 . . . A 228 GLY CA . 18316 1 509 . 1 1 88 88 GLY N N 15 109.64 0.01 . 1 . . . A 228 GLY N . 18316 1 510 . 1 1 89 89 GLU H H 1 8.416 0.01 . 1 . . . A 229 GLU H . 18316 1 511 . 1 1 89 89 GLU HA H 1 4.296 0.01 . 1 . . . A 229 GLU HA . 18316 1 512 . 1 1 89 89 GLU C C 13 176.24 0.01 . 1 . . . A 229 GLU C . 18316 1 513 . 1 1 89 89 GLU CA C 13 56.20 0.01 . 1 . . . A 229 GLU CA . 18316 1 514 . 1 1 89 89 GLU CB C 13 30.41 0.01 . 1 . . . A 229 GLU CB . 18316 1 515 . 1 1 89 89 GLU N N 15 118.72 0.01 . 1 . . . A 229 GLU N . 18316 1 516 . 1 1 90 90 HIS H H 1 8.360 0.01 . 1 . . . A 230 HIS H . 18316 1 517 . 1 1 90 90 HIS HA H 1 4.626 0.01 . 1 . . . A 230 HIS HA . 18316 1 518 . 1 1 90 90 HIS C C 13 173.96 0.01 . 1 . . . A 230 HIS C . 18316 1 519 . 1 1 90 90 HIS CA C 13 54.96 0.01 . 1 . . . A 230 HIS CA . 18316 1 520 . 1 1 90 90 HIS CB C 13 29.21 0.01 . 1 . . . A 230 HIS CB . 18316 1 521 . 1 1 90 90 HIS N N 15 118.44 0.01 . 1 . . . A 230 HIS N . 18316 1 522 . 1 1 91 91 ALA H H 1 8.356 0.01 . 1 . . . A 231 ALA H . 18316 1 523 . 1 1 91 91 ALA HA H 1 4.171 0.01 . 1 . . . A 231 ALA HA . 18316 1 524 . 1 1 91 91 ALA C C 13 177.28 0.01 . 1 . . . A 231 ALA C . 18316 1 525 . 1 1 91 91 ALA CA C 13 52.51 0.01 . 1 . . . A 231 ALA CA . 18316 1 526 . 1 1 91 91 ALA CB C 13 19.13 0.01 . 1 . . . A 231 ALA CB . 18316 1 527 . 1 1 91 91 ALA N N 15 125.56 0.01 . 1 . . . A 231 ALA N . 18316 1 528 . 1 1 92 92 GLN H H 1 8.177 0.01 . 1 . . . A 232 GLN H . 18316 1 529 . 1 1 92 92 GLN HA H 1 4.226 0.01 . 1 . . . A 232 GLN HA . 18316 1 530 . 1 1 92 92 GLN C C 13 175.30 0.01 . 1 . . . A 232 GLN C . 18316 1 531 . 1 1 92 92 GLN CA C 13 55.63 0.01 . 1 . . . A 232 GLN CA . 18316 1 532 . 1 1 92 92 GLN CB C 13 29.41 0.01 . 1 . . . A 232 GLN CB . 18316 1 533 . 1 1 92 92 GLN N N 15 119.61 0.01 . 1 . . . A 232 GLN N . 18316 1 534 . 1 1 93 93 ALA H H 1 8.256 0.01 . 1 . . . A 233 ALA H . 18316 1 535 . 1 1 93 93 ALA HA H 1 4.237 0.01 . 1 . . . A 233 ALA HA . 18316 1 536 . 1 1 93 93 ALA C C 13 176.52 0.01 . 1 . . . A 233 ALA C . 18316 1 537 . 1 1 93 93 ALA CA C 13 52.48 0.01 . 1 . . . A 233 ALA CA . 18316 1 538 . 1 1 93 93 ALA CB C 13 19.21 0.01 . 1 . . . A 233 ALA CB . 18316 1 539 . 1 1 93 93 ALA N N 15 125.51 0.01 . 1 . . . A 233 ALA N . 18316 1 540 . 1 1 94 94 GLU H H 1 7.883 0.01 . 1 . . . A 234 GLU H . 18316 1 541 . 1 1 94 94 GLU HA H 1 4.084 0.01 . 1 . . . A 234 GLU HA . 18316 1 542 . 1 1 94 94 GLU CA C 13 57.57 0.01 . 1 . . . A 234 GLU CA . 18316 1 543 . 1 1 94 94 GLU N N 15 124.75 0.01 . 1 . . . A 234 GLU N . 18316 1 stop_ save_