data_11227 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11227 _Entry.Title ; Solution structure of the second fn3 domain from human Ephrin type-B receptor 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 X. Qin . . . 11227 2 F. Hayashi . . . 11227 3 S. Yokoyama . . . 11227 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11227 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11227 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 11227 '15N chemical shifts' 94 11227 '1H chemical shifts' 665 11227 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2010-07-23 original author . 11227 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E7H 'BMRB Entry Tracking System' 11227 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11227 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the second fn3 domain from human Ephrin type-B receptor 4' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 X. Qin . . . 11227 1 2 F. Hayashi . . . 11227 1 3 S. Yokoyama . . . 11227 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11227 _Assembly.ID 1 _Assembly.Name 'Ephrin type-B receptor 4' _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 E.C.2.7.10.1 _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 'FN3 domain' 1 $entity_1 A . yes native no no . . . 11227 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2e7h . . . . . . 11227 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11227 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FN3 domain' _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 ; GSSGSSGPPAVSDIRVTRSS PSSLSLAWAVPRAPSGAVLD YEVKYHEKGAEGPSSVRFLK TSENRAELRGLKRGASYLVQ VRARSEAGYGPFGQEHHSQT QLDSGPSSG ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2E7H . "Solution Structure Of The Second Fn3 Domain From Human Ephrin Type-B Receptor 4" . . . . . 100.00 109 100.00 100.00 4.79e-69 . . . . 11227 1 2 no DBJ BAD92881 . "ephrin receptor EphB4 precursor variant [Homo sapiens]" . . . . . 88.07 986 100.00 100.00 4.53e-55 . . . . 11227 1 3 no GB AAA20598 . "tyrosine kinase [Homo sapiens]" . . . . . 88.07 987 98.96 98.96 4.12e-54 . . . . 11227 1 4 no GB AAH04264 . "EPHB4 protein, partial [Homo sapiens]" . . . . . 88.07 845 100.00 100.00 1.77e-55 . . . . 11227 1 5 no GB AAH52804 . "EPH receptor B4 [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.80e-55 . . . . 11227 1 6 no GB AAK21010 . "ephrin type-B receptor 4 precursor [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1 7 no GB AAL14194 . "receptor protein tyrosine kinase EphB4 [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1 8 no REF NP_001193197 . "ephrin type-B receptor 4 precursor [Bos taurus]" . . . . . 88.07 987 98.96 98.96 1.70e-54 . . . . 11227 1 9 no REF NP_004435 . "ephrin type-B receptor 4 precursor [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1 10 no REF XP_002711965 . "PREDICTED: ephrin type-B receptor 4 [Oryctolagus cuniculus]" . . . . . 88.07 987 100.00 100.00 2.99e-55 . . . . 11227 1 11 no REF XP_002803271 . "PREDICTED: ephrin type-B receptor 4-like [Macaca mulatta]" . . . . . 88.07 893 100.00 100.00 1.34e-55 . . . . 11227 1 12 no REF XP_002806627 . "PREDICTED: LOW QUALITY PROTEIN: ephrin type-B receptor 4 [Callithrix jacchus]" . . . . . 88.07 987 98.96 98.96 1.47e-54 . . . . 11227 1 13 no SP P54760 . "RecName: Full=Ephrin type-B receptor 4; AltName: Full=Hepatoma transmembrane kinase; AltName: Full=Tyrosine-protein kinase TYRO" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1 14 no TPG DAA15196 . "TPA: ephrin receptor EphB3-like [Bos taurus]" . . . . . 88.07 987 98.96 98.96 1.74e-54 . . . . 11227 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FN3 domain' . 11227 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 . GLY . 11227 1 2 . SER . 11227 1 3 . SER . 11227 1 4 . GLY . 11227 1 5 . SER . 11227 1 6 . SER . 11227 1 7 . GLY . 11227 1 8 . PRO . 11227 1 9 . PRO . 11227 1 10 . ALA . 11227 1 11 . VAL . 11227 1 12 . SER . 11227 1 13 . ASP . 11227 1 14 . ILE . 11227 1 15 . ARG . 11227 1 16 . VAL . 11227 1 17 . THR . 11227 1 18 . ARG . 11227 1 19 . SER . 11227 1 20 . SER . 11227 1 21 . PRO . 11227 1 22 . SER . 11227 1 23 . SER . 11227 1 24 . LEU . 11227 1 25 . SER . 11227 1 26 . LEU . 11227 1 27 . ALA . 11227 1 28 . TRP . 11227 1 29 . ALA . 11227 1 30 . VAL . 11227 1 31 . PRO . 11227 1 32 . ARG . 11227 1 33 . ALA . 11227 1 34 . PRO . 11227 1 35 . SER . 11227 1 36 . GLY . 11227 1 37 . ALA . 11227 1 38 . VAL . 11227 1 39 . LEU . 11227 1 40 . ASP . 11227 1 41 . TYR . 11227 1 42 . GLU . 11227 1 43 . VAL . 11227 1 44 . LYS . 11227 1 45 . TYR . 11227 1 46 . HIS . 11227 1 47 . GLU . 11227 1 48 . LYS . 11227 1 49 . GLY . 11227 1 50 . ALA . 11227 1 51 . GLU . 11227 1 52 . GLY . 11227 1 53 . PRO . 11227 1 54 . SER . 11227 1 55 . SER . 11227 1 56 . VAL . 11227 1 57 . ARG . 11227 1 58 . PHE . 11227 1 59 . LEU . 11227 1 60 . LYS . 11227 1 61 . THR . 11227 1 62 . SER . 11227 1 63 . GLU . 11227 1 64 . ASN . 11227 1 65 . ARG . 11227 1 66 . ALA . 11227 1 67 . GLU . 11227 1 68 . LEU . 11227 1 69 . ARG . 11227 1 70 . GLY . 11227 1 71 . LEU . 11227 1 72 . LYS . 11227 1 73 . ARG . 11227 1 74 . GLY . 11227 1 75 . ALA . 11227 1 76 . SER . 11227 1 77 . TYR . 11227 1 78 . LEU . 11227 1 79 . VAL . 11227 1 80 . GLN . 11227 1 81 . VAL . 11227 1 82 . ARG . 11227 1 83 . ALA . 11227 1 84 . ARG . 11227 1 85 . SER . 11227 1 86 . GLU . 11227 1 87 . ALA . 11227 1 88 . GLY . 11227 1 89 . TYR . 11227 1 90 . GLY . 11227 1 91 . PRO . 11227 1 92 . PHE . 11227 1 93 . GLY . 11227 1 94 . GLN . 11227 1 95 . GLU . 11227 1 96 . HIS . 11227 1 97 . HIS . 11227 1 98 . SER . 11227 1 99 . GLN . 11227 1 100 . THR . 11227 1 101 . GLN . 11227 1 102 . LEU . 11227 1 103 . ASP . 11227 1 104 . SER . 11227 1 105 . GLY . 11227 1 106 . PRO . 11227 1 107 . SER . 11227 1 108 . SER . 11227 1 109 . GLY . 11227 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 . GLY 1 1 11227 1 . SER 2 2 11227 1 . SER 3 3 11227 1 . GLY 4 4 11227 1 . SER 5 5 11227 1 . SER 6 6 11227 1 . GLY 7 7 11227 1 . PRO 8 8 11227 1 . PRO 9 9 11227 1 . ALA 10 10 11227 1 . VAL 11 11 11227 1 . SER 12 12 11227 1 . ASP 13 13 11227 1 . ILE 14 14 11227 1 . ARG 15 15 11227 1 . VAL 16 16 11227 1 . THR 17 17 11227 1 . ARG 18 18 11227 1 . SER 19 19 11227 1 . SER 20 20 11227 1 . PRO 21 21 11227 1 . SER 22 22 11227 1 . SER 23 23 11227 1 . LEU 24 24 11227 1 . SER 25 25 11227 1 . LEU 26 26 11227 1 . ALA 27 27 11227 1 . TRP 28 28 11227 1 . ALA 29 29 11227 1 . VAL 30 30 11227 1 . PRO 31 31 11227 1 . ARG 32 32 11227 1 . ALA 33 33 11227 1 . PRO 34 34 11227 1 . SER 35 35 11227 1 . GLY 36 36 11227 1 . ALA 37 37 11227 1 . VAL 38 38 11227 1 . LEU 39 39 11227 1 . ASP 40 40 11227 1 . TYR 41 41 11227 1 . GLU 42 42 11227 1 . VAL 43 43 11227 1 . LYS 44 44 11227 1 . TYR 45 45 11227 1 . HIS 46 46 11227 1 . GLU 47 47 11227 1 . LYS 48 48 11227 1 . GLY 49 49 11227 1 . ALA 50 50 11227 1 . GLU 51 51 11227 1 . GLY 52 52 11227 1 . PRO 53 53 11227 1 . SER 54 54 11227 1 . SER 55 55 11227 1 . VAL 56 56 11227 1 . ARG 57 57 11227 1 . PHE 58 58 11227 1 . LEU 59 59 11227 1 . LYS 60 60 11227 1 . THR 61 61 11227 1 . SER 62 62 11227 1 . GLU 63 63 11227 1 . ASN 64 64 11227 1 . ARG 65 65 11227 1 . ALA 66 66 11227 1 . GLU 67 67 11227 1 . LEU 68 68 11227 1 . ARG 69 69 11227 1 . GLY 70 70 11227 1 . LEU 71 71 11227 1 . LYS 72 72 11227 1 . ARG 73 73 11227 1 . GLY 74 74 11227 1 . ALA 75 75 11227 1 . SER 76 76 11227 1 . TYR 77 77 11227 1 . LEU 78 78 11227 1 . VAL 79 79 11227 1 . GLN 80 80 11227 1 . VAL 81 81 11227 1 . ARG 82 82 11227 1 . ALA 83 83 11227 1 . ARG 84 84 11227 1 . SER 85 85 11227 1 . GLU 86 86 11227 1 . ALA 87 87 11227 1 . GLY 88 88 11227 1 . TYR 89 89 11227 1 . GLY 90 90 11227 1 . PRO 91 91 11227 1 . PHE 92 92 11227 1 . GLY 93 93 11227 1 . GLN 94 94 11227 1 . GLU 95 95 11227 1 . HIS 96 96 11227 1 . HIS 97 97 11227 1 . SER 98 98 11227 1 . GLN 99 99 11227 1 . THR 100 100 11227 1 . GLN 101 101 11227 1 . LEU 102 102 11227 1 . ASP 103 103 11227 1 . SER 104 104 11227 1 . GLY 105 105 11227 1 . PRO 106 106 11227 1 . SER 107 107 11227 1 . SER 108 108 11227 1 . GLY 109 109 11227 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 11227 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11227 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 11227 _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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-21 . . . . . . 11227 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11227 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.80mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.80 . . mM . . . . 11227 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11227 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11227 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11227 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11227 1 6 H2O . . . . . . solvent 90 . . % . . . . 11227 1 7 D2O . . . . . . solvent 10 . . % . . . . 11227 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11227 _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' 120 0.1 mM 11227 1 pH 7.0 0.05 pH 11227 1 pressure 1 0.001 atm 11227 1 temperature 298 0.1 K 11227 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11227 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11227 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11227 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11227 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11227 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11227 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11227 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11227 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11227 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11227 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11227 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11227 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11227 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11227 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11227 5 'structure solution' 11227 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11227 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11227 _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 Varian INOVA . 800 . . . 11227 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 11227 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11227 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11227 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11227 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11227 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11227 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11227 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11227 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11227 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11227 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11227 1 2 $NMRPipe . . 11227 1 3 $NMRView . . 11227 1 4 $Kujira . . 11227 1 5 $CYANA . . 11227 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 6 6 SER HA H 1 4.538 0.030 . 1 . . . . 6 SER HA . 11227 1 2 . 1 1 6 6 SER HB2 H 1 3.857 0.030 . 1 . . . . 6 SER HB2 . 11227 1 3 . 1 1 6 6 SER HB3 H 1 3.857 0.030 . 1 . . . . 6 SER HB3 . 11227 1 4 . 1 1 6 6 SER C C 13 174.129 0.300 . 1 . . . . 6 SER C . 11227 1 5 . 1 1 6 6 SER CA C 13 58.196 0.300 . 1 . . . . 6 SER CA . 11227 1 6 . 1 1 6 6 SER CB C 13 64.034 0.300 . 1 . . . . 6 SER CB . 11227 1 7 . 1 1 7 7 GLY H H 1 8.120 0.030 . 1 . . . . 7 GLY H . 11227 1 8 . 1 1 7 7 GLY HA2 H 1 3.691 0.030 . 2 . . . . 7 GLY HA2 . 11227 1 9 . 1 1 7 7 GLY HA3 H 1 3.907 0.030 . 2 . . . . 7 GLY HA3 . 11227 1 10 . 1 1 7 7 GLY C C 13 170.193 0.300 . 1 . . . . 7 GLY C . 11227 1 11 . 1 1 7 7 GLY CA C 13 44.168 0.300 . 1 . . . . 7 GLY CA . 11227 1 12 . 1 1 7 7 GLY N N 15 109.322 0.300 . 1 . . . . 7 GLY N . 11227 1 13 . 1 1 8 8 PRO HA H 1 4.636 0.030 . 1 . . . . 8 PRO HA . 11227 1 14 . 1 1 8 8 PRO HB2 H 1 1.824 0.030 . 2 . . . . 8 PRO HB2 . 11227 1 15 . 1 1 8 8 PRO HB3 H 1 2.066 0.030 . 2 . . . . 8 PRO HB3 . 11227 1 16 . 1 1 8 8 PRO HD2 H 1 3.707 0.030 . 2 . . . . 8 PRO HD2 . 11227 1 17 . 1 1 8 8 PRO HD3 H 1 3.419 0.030 . 2 . . . . 8 PRO HD3 . 11227 1 18 . 1 1 8 8 PRO HG2 H 1 1.832 0.030 . 2 . . . . 8 PRO HG2 . 11227 1 19 . 1 1 8 8 PRO HG3 H 1 1.709 0.030 . 2 . . . . 8 PRO HG3 . 11227 1 20 . 1 1 8 8 PRO CA C 13 61.597 0.300 . 1 . . . . 8 PRO CA . 11227 1 21 . 1 1 8 8 PRO CB C 13 30.731 0.300 . 1 . . . . 8 PRO CB . 11227 1 22 . 1 1 8 8 PRO CD C 13 49.382 0.300 . 1 . . . . 8 PRO CD . 11227 1 23 . 1 1 8 8 PRO CG C 13 27.761 0.300 . 1 . . . . 8 PRO CG . 11227 1 24 . 1 1 9 9 PRO HA H 1 4.576 0.030 . 1 . . . . 9 PRO HA . 11227 1 25 . 1 1 9 9 PRO HB2 H 1 2.377 0.030 . 2 . . . . 9 PRO HB2 . 11227 1 26 . 1 1 9 9 PRO HB3 H 1 2.047 0.030 . 2 . . . . 9 PRO HB3 . 11227 1 27 . 1 1 9 9 PRO HD2 H 1 3.298 0.030 . 2 . . . . 9 PRO HD2 . 11227 1 28 . 1 1 9 9 PRO HD3 H 1 3.758 0.030 . 2 . . . . 9 PRO HD3 . 11227 1 29 . 1 1 9 9 PRO HG2 H 1 2.088 0.030 . 2 . . . . 9 PRO HG2 . 11227 1 30 . 1 1 9 9 PRO HG3 H 1 1.974 0.030 . 2 . . . . 9 PRO HG3 . 11227 1 31 . 1 1 9 9 PRO C C 13 175.611 0.300 . 1 . . . . 9 PRO C . 11227 1 32 . 1 1 9 9 PRO CA C 13 61.972 0.300 . 1 . . . . 9 PRO CA . 11227 1 33 . 1 1 9 9 PRO CB C 13 32.511 0.300 . 1 . . . . 9 PRO CB . 11227 1 34 . 1 1 9 9 PRO CD C 13 50.108 0.300 . 1 . . . . 9 PRO CD . 11227 1 35 . 1 1 9 9 PRO CG C 13 27.325 0.300 . 1 . . . . 9 PRO CG . 11227 1 36 . 1 1 10 10 ALA H H 1 8.318 0.030 . 1 . . . . 10 ALA H . 11227 1 37 . 1 1 10 10 ALA HA H 1 4.259 0.030 . 1 . . . . 10 ALA HA . 11227 1 38 . 1 1 10 10 ALA HB1 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1 39 . 1 1 10 10 ALA HB2 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1 40 . 1 1 10 10 ALA HB3 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1 41 . 1 1 10 10 ALA C C 13 177.206 0.300 . 1 . . . . 10 ALA C . 11227 1 42 . 1 1 10 10 ALA CA C 13 52.222 0.300 . 1 . . . . 10 ALA CA . 11227 1 43 . 1 1 10 10 ALA CB C 13 19.355 0.300 . 1 . . . . 10 ALA CB . 11227 1 44 . 1 1 10 10 ALA N N 15 119.567 0.300 . 1 . . . . 10 ALA N . 11227 1 45 . 1 1 11 11 VAL H H 1 6.874 0.030 . 1 . . . . 11 VAL H . 11227 1 46 . 1 1 11 11 VAL HA H 1 4.183 0.030 . 1 . . . . 11 VAL HA . 11227 1 47 . 1 1 11 11 VAL HB H 1 1.804 0.030 . 1 . . . . 11 VAL HB . 11227 1 48 . 1 1 11 11 VAL HG11 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1 49 . 1 1 11 11 VAL HG12 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1 50 . 1 1 11 11 VAL HG13 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1 51 . 1 1 11 11 VAL HG21 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1 52 . 1 1 11 11 VAL HG22 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1 53 . 1 1 11 11 VAL HG23 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1 54 . 1 1 11 11 VAL C C 13 175.218 0.300 . 1 . . . . 11 VAL C . 11227 1 55 . 1 1 11 11 VAL CA C 13 62.676 0.300 . 1 . . . . 11 VAL CA . 11227 1 56 . 1 1 11 11 VAL CB C 13 31.920 0.300 . 1 . . . . 11 VAL CB . 11227 1 57 . 1 1 11 11 VAL CG1 C 13 22.177 0.300 . 2 . . . . 11 VAL CG1 . 11227 1 58 . 1 1 11 11 VAL CG2 C 13 22.285 0.300 . 2 . . . . 11 VAL CG2 . 11227 1 59 . 1 1 11 11 VAL N N 15 120.851 0.300 . 1 . . . . 11 VAL N . 11227 1 60 . 1 1 12 12 SER H H 1 9.120 0.030 . 1 . . . . 12 SER H . 11227 1 61 . 1 1 12 12 SER HA H 1 4.867 0.030 . 1 . . . . 12 SER HA . 11227 1 62 . 1 1 12 12 SER HB2 H 1 3.922 0.030 . 1 . . . . 12 SER HB2 . 11227 1 63 . 1 1 12 12 SER HB3 H 1 3.922 0.030 . 1 . . . . 12 SER HB3 . 11227 1 64 . 1 1 12 12 SER C C 13 172.565 0.300 . 1 . . . . 12 SER C . 11227 1 65 . 1 1 12 12 SER CA C 13 57.466 0.300 . 1 . . . . 12 SER CA . 11227 1 66 . 1 1 12 12 SER CB C 13 65.948 0.300 . 1 . . . . 12 SER CB . 11227 1 67 . 1 1 12 12 SER N N 15 122.954 0.300 . 1 . . . . 12 SER N . 11227 1 68 . 1 1 13 13 ASP H H 1 8.619 0.030 . 1 . . . . 13 ASP H . 11227 1 69 . 1 1 13 13 ASP HA H 1 4.505 0.030 . 1 . . . . 13 ASP HA . 11227 1 70 . 1 1 13 13 ASP HB2 H 1 2.880 0.030 . 2 . . . . 13 ASP HB2 . 11227 1 71 . 1 1 13 13 ASP HB3 H 1 2.635 0.030 . 2 . . . . 13 ASP HB3 . 11227 1 72 . 1 1 13 13 ASP C C 13 174.709 0.300 . 1 . . . . 13 ASP C . 11227 1 73 . 1 1 13 13 ASP CA C 13 54.456 0.300 . 1 . . . . 13 ASP CA . 11227 1 74 . 1 1 13 13 ASP CB C 13 39.996 0.300 . 1 . . . . 13 ASP CB . 11227 1 75 . 1 1 13 13 ASP N N 15 119.226 0.300 . 1 . . . . 13 ASP N . 11227 1 76 . 1 1 14 14 ILE H H 1 7.741 0.030 . 1 . . . . 14 ILE H . 11227 1 77 . 1 1 14 14 ILE HA H 1 4.493 0.030 . 1 . . . . 14 ILE HA . 11227 1 78 . 1 1 14 14 ILE HB H 1 1.247 0.030 . 1 . . . . 14 ILE HB . 11227 1 79 . 1 1 14 14 ILE HD11 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1 80 . 1 1 14 14 ILE HD12 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1 81 . 1 1 14 14 ILE HD13 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1 82 . 1 1 14 14 ILE HG12 H 1 1.402 0.030 . 2 . . . . 14 ILE HG12 . 11227 1 83 . 1 1 14 14 ILE HG13 H 1 0.709 0.030 . 2 . . . . 14 ILE HG13 . 11227 1 84 . 1 1 14 14 ILE HG21 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1 85 . 1 1 14 14 ILE HG22 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1 86 . 1 1 14 14 ILE HG23 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1 87 . 1 1 14 14 ILE C C 13 175.345 0.300 . 1 . . . . 14 ILE C . 11227 1 88 . 1 1 14 14 ILE CA C 13 61.644 0.300 . 1 . . . . 14 ILE CA . 11227 1 89 . 1 1 14 14 ILE CB C 13 38.871 0.300 . 1 . . . . 14 ILE CB . 11227 1 90 . 1 1 14 14 ILE CD1 C 13 14.640 0.300 . 1 . . . . 14 ILE CD1 . 11227 1 91 . 1 1 14 14 ILE CG1 C 13 28.970 0.300 . 1 . . . . 14 ILE CG1 . 11227 1 92 . 1 1 14 14 ILE CG2 C 13 17.693 0.300 . 1 . . . . 14 ILE CG2 . 11227 1 93 . 1 1 14 14 ILE N N 15 119.813 0.300 . 1 . . . . 14 ILE N . 11227 1 94 . 1 1 15 15 ARG H H 1 9.228 0.030 . 1 . . . . 15 ARG H . 11227 1 95 . 1 1 15 15 ARG HA H 1 4.631 0.030 . 1 . . . . 15 ARG HA . 11227 1 96 . 1 1 15 15 ARG HB2 H 1 1.692 0.030 . 2 . . . . 15 ARG HB2 . 11227 1 97 . 1 1 15 15 ARG HB3 H 1 1.653 0.030 . 2 . . . . 15 ARG HB3 . 11227 1 98 . 1 1 15 15 ARG HD2 H 1 3.070 0.030 . 2 . . . . 15 ARG HD2 . 11227 1 99 . 1 1 15 15 ARG HD3 H 1 3.152 0.030 . 2 . . . . 15 ARG HD3 . 11227 1 100 . 1 1 15 15 ARG HG2 H 1 1.430 0.030 . 2 . . . . 15 ARG HG2 . 11227 1 101 . 1 1 15 15 ARG HG3 H 1 1.550 0.030 . 2 . . . . 15 ARG HG3 . 11227 1 102 . 1 1 15 15 ARG C C 13 174.628 0.300 . 1 . . . . 15 ARG C . 11227 1 103 . 1 1 15 15 ARG CA C 13 54.302 0.300 . 1 . . . . 15 ARG CA . 11227 1 104 . 1 1 15 15 ARG CB C 13 32.850 0.300 . 1 . . . . 15 ARG CB . 11227 1 105 . 1 1 15 15 ARG CD C 13 43.323 0.300 . 1 . . . . 15 ARG CD . 11227 1 106 . 1 1 15 15 ARG CG C 13 26.745 0.300 . 1 . . . . 15 ARG CG . 11227 1 107 . 1 1 15 15 ARG N N 15 125.944 0.300 . 1 . . . . 15 ARG N . 11227 1 108 . 1 1 16 16 VAL H H 1 8.663 0.030 . 1 . . . . 16 VAL H . 11227 1 109 . 1 1 16 16 VAL HA H 1 4.709 0.030 . 1 . . . . 16 VAL HA . 11227 1 110 . 1 1 16 16 VAL HB H 1 2.089 0.030 . 1 . . . . 16 VAL HB . 11227 1 111 . 1 1 16 16 VAL HG11 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1 112 . 1 1 16 16 VAL HG12 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1 113 . 1 1 16 16 VAL HG13 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1 114 . 1 1 16 16 VAL HG21 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1 115 . 1 1 16 16 VAL HG22 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1 116 . 1 1 16 16 VAL HG23 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1 117 . 1 1 16 16 VAL C C 13 176.853 0.300 . 1 . . . . 16 VAL C . 11227 1 118 . 1 1 16 16 VAL CA C 13 61.323 0.300 . 1 . . . . 16 VAL CA . 11227 1 119 . 1 1 16 16 VAL CB C 13 32.697 0.300 . 1 . . . . 16 VAL CB . 11227 1 120 . 1 1 16 16 VAL CG1 C 13 22.065 0.300 . 2 . . . . 16 VAL CG1 . 11227 1 121 . 1 1 16 16 VAL CG2 C 13 21.466 0.300 . 2 . . . . 16 VAL CG2 . 11227 1 122 . 1 1 16 16 VAL N N 15 123.764 0.300 . 1 . . . . 16 VAL N . 11227 1 123 . 1 1 17 17 THR H H 1 9.096 0.030 . 1 . . . . 17 THR H . 11227 1 124 . 1 1 17 17 THR HA H 1 4.386 0.030 . 1 . . . . 17 THR HA . 11227 1 125 . 1 1 17 17 THR HB H 1 4.119 0.030 . 1 . . . . 17 THR HB . 11227 1 126 . 1 1 17 17 THR HG21 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1 127 . 1 1 17 17 THR HG22 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1 128 . 1 1 17 17 THR HG23 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1 129 . 1 1 17 17 THR C C 13 174.390 0.300 . 1 . . . . 17 THR C . 11227 1 130 . 1 1 17 17 THR CA C 13 61.706 0.300 . 1 . . . . 17 THR CA . 11227 1 131 . 1 1 17 17 THR CB C 13 69.543 0.300 . 1 . . . . 17 THR CB . 11227 1 132 . 1 1 17 17 THR CG2 C 13 22.246 0.300 . 1 . . . . 17 THR CG2 . 11227 1 133 . 1 1 17 17 THR N N 15 121.390 0.300 . 1 . . . . 17 THR N . 11227 1 134 . 1 1 18 18 ARG H H 1 8.385 0.030 . 1 . . . . 18 ARG H . 11227 1 135 . 1 1 18 18 ARG HA H 1 4.541 0.030 . 1 . . . . 18 ARG HA . 11227 1 136 . 1 1 18 18 ARG HB2 H 1 1.801 0.030 . 2 . . . . 18 ARG HB2 . 11227 1 137 . 1 1 18 18 ARG HB3 H 1 1.858 0.030 . 2 . . . . 18 ARG HB3 . 11227 1 138 . 1 1 18 18 ARG HD2 H 1 3.261 0.030 . 1 . . . . 18 ARG HD2 . 11227 1 139 . 1 1 18 18 ARG HD3 H 1 3.261 0.030 . 1 . . . . 18 ARG HD3 . 11227 1 140 . 1 1 18 18 ARG HG2 H 1 1.548 0.030 . 2 . . . . 18 ARG HG2 . 11227 1 141 . 1 1 18 18 ARG HG3 H 1 1.768 0.030 . 2 . . . . 18 ARG HG3 . 11227 1 142 . 1 1 18 18 ARG CA C 13 57.212 0.300 . 1 . . . . 18 ARG CA . 11227 1 143 . 1 1 18 18 ARG CB C 13 30.427 0.300 . 1 . . . . 18 ARG CB . 11227 1 144 . 1 1 18 18 ARG CD C 13 43.679 0.300 . 1 . . . . 18 ARG CD . 11227 1 145 . 1 1 18 18 ARG CG C 13 27.449 0.300 . 1 . . . . 18 ARG CG . 11227 1 146 . 1 1 19 19 SER H H 1 8.421 0.030 . 1 . . . . 19 SER H . 11227 1 147 . 1 1 19 19 SER HA H 1 4.909 0.030 . 1 . . . . 19 SER HA . 11227 1 148 . 1 1 19 19 SER HB2 H 1 3.987 0.030 . 2 . . . . 19 SER HB2 . 11227 1 149 . 1 1 19 19 SER HB3 H 1 3.874 0.030 . 2 . . . . 19 SER HB3 . 11227 1 150 . 1 1 19 19 SER C C 13 172.965 0.300 . 1 . . . . 19 SER C . 11227 1 151 . 1 1 19 19 SER CA C 13 57.222 0.300 . 1 . . . . 19 SER CA . 11227 1 152 . 1 1 19 19 SER CB C 13 65.355 0.300 . 1 . . . . 19 SER CB . 11227 1 153 . 1 1 20 20 SER H H 1 8.712 0.030 . 1 . . . . 20 SER H . 11227 1 154 . 1 1 20 20 SER HA H 1 5.015 0.030 . 1 . . . . 20 SER HA . 11227 1 155 . 1 1 20 20 SER HB2 H 1 4.323 0.030 . 2 . . . . 20 SER HB2 . 11227 1 156 . 1 1 20 20 SER HB3 H 1 3.892 0.030 . 2 . . . . 20 SER HB3 . 11227 1 157 . 1 1 20 20 SER C C 13 172.929 0.300 . 1 . . . . 20 SER C . 11227 1 158 . 1 1 20 20 SER CA C 13 57.950 0.300 . 1 . . . . 20 SER CA . 11227 1 159 . 1 1 20 20 SER CB C 13 64.159 0.300 . 1 . . . . 20 SER CB . 11227 1 160 . 1 1 20 20 SER N N 15 120.713 0.300 . 1 . . . . 20 SER N . 11227 1 161 . 1 1 21 21 PRO HA H 1 4.826 0.030 . 1 . . . . 21 PRO HA . 11227 1 162 . 1 1 21 21 PRO HB2 H 1 2.374 0.030 . 2 . . . . 21 PRO HB2 . 11227 1 163 . 1 1 21 21 PRO HB3 H 1 1.874 0.030 . 2 . . . . 21 PRO HB3 . 11227 1 164 . 1 1 21 21 PRO HD2 H 1 3.768 0.030 . 2 . . . . 21 PRO HD2 . 11227 1 165 . 1 1 21 21 PRO HD3 H 1 3.984 0.030 . 2 . . . . 21 PRO HD3 . 11227 1 166 . 1 1 21 21 PRO HG2 H 1 1.858 0.030 . 2 . . . . 21 PRO HG2 . 11227 1 167 . 1 1 21 21 PRO HG3 H 1 2.170 0.030 . 2 . . . . 21 PRO HG3 . 11227 1 168 . 1 1 21 21 PRO C C 13 174.865 0.300 . 1 . . . . 21 PRO C . 11227 1 169 . 1 1 21 21 PRO CA C 13 65.420 0.300 . 1 . . . . 21 PRO CA . 11227 1 170 . 1 1 21 21 PRO CB C 13 32.050 0.300 . 1 . . . . 21 PRO CB . 11227 1 171 . 1 1 21 21 PRO CD C 13 50.927 0.300 . 1 . . . . 21 PRO CD . 11227 1 172 . 1 1 21 21 PRO CG C 13 28.441 0.300 . 1 . . . . 21 PRO CG . 11227 1 173 . 1 1 22 22 SER H H 1 7.774 0.030 . 1 . . . . 22 SER H . 11227 1 174 . 1 1 22 22 SER HA H 1 4.659 0.030 . 1 . . . . 22 SER HA . 11227 1 175 . 1 1 22 22 SER HB2 H 1 4.260 0.030 . 2 . . . . 22 SER HB2 . 11227 1 176 . 1 1 22 22 SER HB3 H 1 3.591 0.030 . 2 . . . . 22 SER HB3 . 11227 1 177 . 1 1 22 22 SER C C 13 173.194 0.300 . 1 . . . . 22 SER C . 11227 1 178 . 1 1 22 22 SER CA C 13 56.083 0.300 . 1 . . . . 22 SER CA . 11227 1 179 . 1 1 22 22 SER CB C 13 65.535 0.300 . 1 . . . . 22 SER CB . 11227 1 180 . 1 1 22 22 SER N N 15 104.756 0.300 . 1 . . . . 22 SER N . 11227 1 181 . 1 1 23 23 SER H H 1 7.558 0.030 . 1 . . . . 23 SER H . 11227 1 182 . 1 1 23 23 SER HA H 1 5.339 0.030 . 1 . . . . 23 SER HA . 11227 1 183 . 1 1 23 23 SER HB2 H 1 3.735 0.030 . 2 . . . . 23 SER HB2 . 11227 1 184 . 1 1 23 23 SER HB3 H 1 3.888 0.030 . 2 . . . . 23 SER HB3 . 11227 1 185 . 1 1 23 23 SER C C 13 171.959 0.300 . 1 . . . . 23 SER C . 11227 1 186 . 1 1 23 23 SER CA C 13 57.349 0.300 . 1 . . . . 23 SER CA . 11227 1 187 . 1 1 23 23 SER CB C 13 67.191 0.300 . 1 . . . . 23 SER CB . 11227 1 188 . 1 1 23 23 SER N N 15 115.555 0.300 . 1 . . . . 23 SER N . 11227 1 189 . 1 1 24 24 LEU H H 1 8.262 0.030 . 1 . . . . 24 LEU H . 11227 1 190 . 1 1 24 24 LEU HA H 1 4.854 0.030 . 1 . . . . 24 LEU HA . 11227 1 191 . 1 1 24 24 LEU HB2 H 1 1.316 0.030 . 2 . . . . 24 LEU HB2 . 11227 1 192 . 1 1 24 24 LEU HB3 H 1 1.170 0.030 . 2 . . . . 24 LEU HB3 . 11227 1 193 . 1 1 24 24 LEU HD11 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1 194 . 1 1 24 24 LEU HD12 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1 195 . 1 1 24 24 LEU HD13 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1 196 . 1 1 24 24 LEU HD21 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1 197 . 1 1 24 24 LEU HD22 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1 198 . 1 1 24 24 LEU HD23 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1 199 . 1 1 24 24 LEU HG H 1 1.315 0.030 . 1 . . . . 24 LEU HG . 11227 1 200 . 1 1 24 24 LEU C C 13 175.053 0.300 . 1 . . . . 24 LEU C . 11227 1 201 . 1 1 24 24 LEU CA C 13 53.739 0.300 . 1 . . . . 24 LEU CA . 11227 1 202 . 1 1 24 24 LEU CB C 13 47.447 0.300 . 1 . . . . 24 LEU CB . 11227 1 203 . 1 1 24 24 LEU CD1 C 13 25.713 0.300 . 2 . . . . 24 LEU CD1 . 11227 1 204 . 1 1 24 24 LEU CD2 C 13 23.628 0.300 . 2 . . . . 24 LEU CD2 . 11227 1 205 . 1 1 24 24 LEU CG C 13 26.105 0.300 . 1 . . . . 24 LEU CG . 11227 1 206 . 1 1 24 24 LEU N N 15 118.852 0.300 . 1 . . . . 24 LEU N . 11227 1 207 . 1 1 25 25 SER H H 1 8.959 0.030 . 1 . . . . 25 SER H . 11227 1 208 . 1 1 25 25 SER HA H 1 5.144 0.030 . 1 . . . . 25 SER HA . 11227 1 209 . 1 1 25 25 SER HB2 H 1 3.852 0.030 . 2 . . . . 25 SER HB2 . 11227 1 210 . 1 1 25 25 SER HB3 H 1 3.699 0.030 . 2 . . . . 25 SER HB3 . 11227 1 211 . 1 1 25 25 SER C C 13 173.124 0.300 . 1 . . . . 25 SER C . 11227 1 212 . 1 1 25 25 SER CA C 13 57.543 0.300 . 1 . . . . 25 SER CA . 11227 1 213 . 1 1 25 25 SER CB C 13 63.325 0.300 . 1 . . . . 25 SER CB . 11227 1 214 . 1 1 25 25 SER N N 15 118.341 0.300 . 1 . . . . 25 SER N . 11227 1 215 . 1 1 26 26 LEU H H 1 9.135 0.030 . 1 . . . . 26 LEU H . 11227 1 216 . 1 1 26 26 LEU HA H 1 5.557 0.030 . 1 . . . . 26 LEU HA . 11227 1 217 . 1 1 26 26 LEU HB2 H 1 1.847 0.030 . 2 . . . . 26 LEU HB2 . 11227 1 218 . 1 1 26 26 LEU HB3 H 1 1.613 0.030 . 2 . . . . 26 LEU HB3 . 11227 1 219 . 1 1 26 26 LEU HD11 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1 220 . 1 1 26 26 LEU HD12 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1 221 . 1 1 26 26 LEU HD13 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1 222 . 1 1 26 26 LEU HD21 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1 223 . 1 1 26 26 LEU HD22 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1 224 . 1 1 26 26 LEU HD23 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1 225 . 1 1 26 26 LEU HG H 1 1.620 0.030 . 1 . . . . 26 LEU HG . 11227 1 226 . 1 1 26 26 LEU C C 13 176.669 0.300 . 1 . . . . 26 LEU C . 11227 1 227 . 1 1 26 26 LEU CA C 13 53.198 0.300 . 1 . . . . 26 LEU CA . 11227 1 228 . 1 1 26 26 LEU CB C 13 46.904 0.300 . 1 . . . . 26 LEU CB . 11227 1 229 . 1 1 26 26 LEU CD1 C 13 26.727 0.300 . 2 . . . . 26 LEU CD1 . 11227 1 230 . 1 1 26 26 LEU CD2 C 13 25.464 0.300 . 2 . . . . 26 LEU CD2 . 11227 1 231 . 1 1 26 26 LEU CG C 13 27.894 0.300 . 1 . . . . 26 LEU CG . 11227 1 232 . 1 1 26 26 LEU N N 15 124.391 0.300 . 1 . . . . 26 LEU N . 11227 1 233 . 1 1 27 27 ALA H H 1 8.919 0.030 . 1 . . . . 27 ALA H . 11227 1 234 . 1 1 27 27 ALA HA H 1 4.353 0.030 . 1 . . . . 27 ALA HA . 11227 1 235 . 1 1 27 27 ALA HB1 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1 236 . 1 1 27 27 ALA HB2 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1 237 . 1 1 27 27 ALA HB3 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1 238 . 1 1 27 27 ALA C C 13 174.819 0.300 . 1 . . . . 27 ALA C . 11227 1 239 . 1 1 27 27 ALA CA C 13 51.637 0.300 . 1 . . . . 27 ALA CA . 11227 1 240 . 1 1 27 27 ALA CB C 13 23.183 0.300 . 1 . . . . 27 ALA CB . 11227 1 241 . 1 1 27 27 ALA N N 15 123.718 0.300 . 1 . . . . 27 ALA N . 11227 1 242 . 1 1 28 28 TRP H H 1 6.943 0.030 . 1 . . . . 28 TRP H . 11227 1 243 . 1 1 28 28 TRP HA H 1 5.246 0.030 . 1 . . . . 28 TRP HA . 11227 1 244 . 1 1 28 28 TRP HB2 H 1 3.255 0.030 . 2 . . . . 28 TRP HB2 . 11227 1 245 . 1 1 28 28 TRP HB3 H 1 2.930 0.030 . 2 . . . . 28 TRP HB3 . 11227 1 246 . 1 1 28 28 TRP HD1 H 1 6.886 0.030 . 1 . . . . 28 TRP HD1 . 11227 1 247 . 1 1 28 28 TRP HE1 H 1 5.964 0.030 . 1 . . . . 28 TRP HE1 . 11227 1 248 . 1 1 28 28 TRP HE3 H 1 6.794 0.030 . 1 . . . . 28 TRP HE3 . 11227 1 249 . 1 1 28 28 TRP HH2 H 1 6.523 0.030 . 1 . . . . 28 TRP HH2 . 11227 1 250 . 1 1 28 28 TRP HZ2 H 1 6.767 0.030 . 1 . . . . 28 TRP HZ2 . 11227 1 251 . 1 1 28 28 TRP HZ3 H 1 6.472 0.030 . 1 . . . . 28 TRP HZ3 . 11227 1 252 . 1 1 28 28 TRP C C 13 173.987 0.300 . 1 . . . . 28 TRP C . 11227 1 253 . 1 1 28 28 TRP CA C 13 55.940 0.300 . 1 . . . . 28 TRP CA . 11227 1 254 . 1 1 28 28 TRP CB C 13 30.353 0.300 . 1 . . . . 28 TRP CB . 11227 1 255 . 1 1 28 28 TRP CD1 C 13 127.122 0.300 . 1 . . . . 28 TRP CD1 . 11227 1 256 . 1 1 28 28 TRP CE3 C 13 118.400 0.300 . 1 . . . . 28 TRP CE3 . 11227 1 257 . 1 1 28 28 TRP CH2 C 13 123.591 0.300 . 1 . . . . 28 TRP CH2 . 11227 1 258 . 1 1 28 28 TRP CZ2 C 13 114.639 0.300 . 1 . . . . 28 TRP CZ2 . 11227 1 259 . 1 1 28 28 TRP CZ3 C 13 120.456 0.300 . 1 . . . . 28 TRP CZ3 . 11227 1 260 . 1 1 28 28 TRP N N 15 114.480 0.300 . 1 . . . . 28 TRP N . 11227 1 261 . 1 1 28 28 TRP NE1 N 15 124.526 0.300 . 1 . . . . 28 TRP NE1 . 11227 1 262 . 1 1 29 29 ALA H H 1 8.056 0.030 . 1 . . . . 29 ALA H . 11227 1 263 . 1 1 29 29 ALA HA H 1 4.552 0.030 . 1 . . . . 29 ALA HA . 11227 1 264 . 1 1 29 29 ALA HB1 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1 265 . 1 1 29 29 ALA HB2 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1 266 . 1 1 29 29 ALA HB3 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1 267 . 1 1 29 29 ALA C C 13 178.357 0.300 . 1 . . . . 29 ALA C . 11227 1 268 . 1 1 29 29 ALA CA C 13 51.389 0.300 . 1 . . . . 29 ALA CA . 11227 1 269 . 1 1 29 29 ALA CB C 13 19.784 0.300 . 1 . . . . 29 ALA CB . 11227 1 270 . 1 1 29 29 ALA N N 15 121.512 0.300 . 1 . . . . 29 ALA N . 11227 1 271 . 1 1 30 30 VAL H H 1 8.612 0.030 . 1 . . . . 30 VAL H . 11227 1 272 . 1 1 30 30 VAL HA H 1 4.444 0.030 . 1 . . . . 30 VAL HA . 11227 1 273 . 1 1 30 30 VAL HB H 1 2.060 0.030 . 1 . . . . 30 VAL HB . 11227 1 274 . 1 1 30 30 VAL HG11 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1 275 . 1 1 30 30 VAL HG12 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1 276 . 1 1 30 30 VAL HG13 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1 277 . 1 1 30 30 VAL HG21 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1 278 . 1 1 30 30 VAL HG22 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1 279 . 1 1 30 30 VAL HG23 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1 280 . 1 1 30 30 VAL C C 13 175.715 0.300 . 1 . . . . 30 VAL C . 11227 1 281 . 1 1 30 30 VAL CA C 13 60.777 0.300 . 1 . . . . 30 VAL CA . 11227 1 282 . 1 1 30 30 VAL CB C 13 32.572 0.300 . 1 . . . . 30 VAL CB . 11227 1 283 . 1 1 30 30 VAL CG1 C 13 21.060 0.300 . 2 . . . . 30 VAL CG1 . 11227 1 284 . 1 1 30 30 VAL CG2 C 13 20.129 0.300 . 2 . . . . 30 VAL CG2 . 11227 1 285 . 1 1 30 30 VAL N N 15 124.007 0.300 . 1 . . . . 30 VAL N . 11227 1 286 . 1 1 31 31 PRO HA H 1 4.621 0.030 . 1 . . . . 31 PRO HA . 11227 1 287 . 1 1 31 31 PRO HB2 H 1 2.383 0.030 . 2 . . . . 31 PRO HB2 . 11227 1 288 . 1 1 31 31 PRO HB3 H 1 1.727 0.030 . 2 . . . . 31 PRO HB3 . 11227 1 289 . 1 1 31 31 PRO HD2 H 1 4.229 0.030 . 2 . . . . 31 PRO HD2 . 11227 1 290 . 1 1 31 31 PRO HD3 H 1 4.549 0.030 . 2 . . . . 31 PRO HD3 . 11227 1 291 . 1 1 31 31 PRO HG2 H 1 1.980 0.030 . 2 . . . . 31 PRO HG2 . 11227 1 292 . 1 1 31 31 PRO HG3 H 1 2.090 0.030 . 2 . . . . 31 PRO HG3 . 11227 1 293 . 1 1 31 31 PRO C C 13 175.447 0.300 . 1 . . . . 31 PRO C . 11227 1 294 . 1 1 31 31 PRO CA C 13 62.427 0.300 . 1 . . . . 31 PRO CA . 11227 1 295 . 1 1 31 31 PRO CB C 13 32.456 0.300 . 1 . . . . 31 PRO CB . 11227 1 296 . 1 1 31 31 PRO CD C 13 51.113 0.300 . 1 . . . . 31 PRO CD . 11227 1 297 . 1 1 31 31 PRO CG C 13 27.130 0.300 . 1 . . . . 31 PRO CG . 11227 1 298 . 1 1 32 32 ARG H H 1 8.506 0.030 . 1 . . . . 32 ARG H . 11227 1 299 . 1 1 32 32 ARG HA H 1 4.305 0.030 . 1 . . . . 32 ARG HA . 11227 1 300 . 1 1 32 32 ARG HB2 H 1 1.797 0.030 . 2 . . . . 32 ARG HB2 . 11227 1 301 . 1 1 32 32 ARG HB3 H 1 1.759 0.030 . 2 . . . . 32 ARG HB3 . 11227 1 302 . 1 1 32 32 ARG HD2 H 1 3.221 0.030 . 1 . . . . 32 ARG HD2 . 11227 1 303 . 1 1 32 32 ARG HD3 H 1 3.221 0.030 . 1 . . . . 32 ARG HD3 . 11227 1 304 . 1 1 32 32 ARG HG2 H 1 1.694 0.030 . 2 . . . . 32 ARG HG2 . 11227 1 305 . 1 1 32 32 ARG HG3 H 1 1.570 0.030 . 2 . . . . 32 ARG HG3 . 11227 1 306 . 1 1 32 32 ARG C C 13 175.157 0.300 . 1 . . . . 32 ARG C . 11227 1 307 . 1 1 32 32 ARG CA C 13 55.687 0.300 . 1 . . . . 32 ARG CA . 11227 1 308 . 1 1 32 32 ARG CB C 13 29.948 0.300 . 1 . . . . 32 ARG CB . 11227 1 309 . 1 1 32 32 ARG CD C 13 43.311 0.300 . 1 . . . . 32 ARG CD . 11227 1 310 . 1 1 32 32 ARG CG C 13 27.180 0.300 . 1 . . . . 32 ARG CG . 11227 1 311 . 1 1 32 32 ARG N N 15 121.654 0.300 . 1 . . . . 32 ARG N . 11227 1 312 . 1 1 33 33 ALA H H 1 8.315 0.030 . 1 . . . . 33 ALA H . 11227 1 313 . 1 1 33 33 ALA HA H 1 4.645 0.030 . 1 . . . . 33 ALA HA . 11227 1 314 . 1 1 33 33 ALA HB1 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1 315 . 1 1 33 33 ALA HB2 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1 316 . 1 1 33 33 ALA HB3 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1 317 . 1 1 33 33 ALA C C 13 175.545 0.300 . 1 . . . . 33 ALA C . 11227 1 318 . 1 1 33 33 ALA CA C 13 49.956 0.300 . 1 . . . . 33 ALA CA . 11227 1 319 . 1 1 33 33 ALA CB C 13 18.973 0.300 . 1 . . . . 33 ALA CB . 11227 1 320 . 1 1 33 33 ALA N N 15 127.974 0.300 . 1 . . . . 33 ALA N . 11227 1 321 . 1 1 34 34 PRO HA H 1 4.358 0.030 . 1 . . . . 34 PRO HA . 11227 1 322 . 1 1 34 34 PRO HB2 H 1 2.326 0.030 . 2 . . . . 34 PRO HB2 . 11227 1 323 . 1 1 34 34 PRO HB3 H 1 1.973 0.030 . 2 . . . . 34 PRO HB3 . 11227 1 324 . 1 1 34 34 PRO HD2 H 1 3.696 0.030 . 1 . . . . 34 PRO HD2 . 11227 1 325 . 1 1 34 34 PRO HD3 H 1 3.696 0.030 . 1 . . . . 34 PRO HD3 . 11227 1 326 . 1 1 34 34 PRO HG2 H 1 2.052 0.030 . 2 . . . . 34 PRO HG2 . 11227 1 327 . 1 1 34 34 PRO HG3 H 1 2.001 0.030 . 2 . . . . 34 PRO HG3 . 11227 1 328 . 1 1 34 34 PRO CA C 13 64.344 0.300 . 1 . . . . 34 PRO CA . 11227 1 329 . 1 1 34 34 PRO CB C 13 31.833 0.300 . 1 . . . . 34 PRO CB . 11227 1 330 . 1 1 34 34 PRO CD C 13 50.652 0.300 . 1 . . . . 34 PRO CD . 11227 1 331 . 1 1 34 34 PRO CG C 13 27.511 0.300 . 1 . . . . 34 PRO CG . 11227 1 332 . 1 1 35 35 SER H H 1 7.822 0.030 . 1 . . . . 35 SER H . 11227 1 333 . 1 1 35 35 SER HA H 1 4.399 0.030 . 1 . . . . 35 SER HA . 11227 1 334 . 1 1 35 35 SER HB2 H 1 3.840 0.030 . 2 . . . . 35 SER HB2 . 11227 1 335 . 1 1 35 35 SER HB3 H 1 3.893 0.030 . 2 . . . . 35 SER HB3 . 11227 1 336 . 1 1 35 35 SER C C 13 174.619 0.300 . 1 . . . . 35 SER C . 11227 1 337 . 1 1 35 35 SER CA C 13 58.339 0.300 . 1 . . . . 35 SER CA . 11227 1 338 . 1 1 35 35 SER CB C 13 63.587 0.300 . 1 . . . . 35 SER CB . 11227 1 339 . 1 1 35 35 SER N N 15 111.483 0.300 . 1 . . . . 35 SER N . 11227 1 340 . 1 1 36 36 GLY H H 1 8.172 0.030 . 1 . . . . 36 GLY H . 11227 1 341 . 1 1 36 36 GLY HA2 H 1 4.205 0.030 . 2 . . . . 36 GLY HA2 . 11227 1 342 . 1 1 36 36 GLY HA3 H 1 3.797 0.030 . 2 . . . . 36 GLY HA3 . 11227 1 343 . 1 1 36 36 GLY C C 13 172.753 0.300 . 1 . . . . 36 GLY C . 11227 1 344 . 1 1 36 36 GLY CA C 13 45.310 0.300 . 1 . . . . 36 GLY CA . 11227 1 345 . 1 1 36 36 GLY N N 15 111.493 0.300 . 1 . . . . 36 GLY N . 11227 1 346 . 1 1 37 37 ALA H H 1 8.282 0.030 . 1 . . . . 37 ALA H . 11227 1 347 . 1 1 37 37 ALA HA H 1 4.367 0.030 . 1 . . . . 37 ALA HA . 11227 1 348 . 1 1 37 37 ALA HB1 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1 349 . 1 1 37 37 ALA HB2 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1 350 . 1 1 37 37 ALA HB3 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1 351 . 1 1 37 37 ALA C C 13 177.494 0.300 . 1 . . . . 37 ALA C . 11227 1 352 . 1 1 37 37 ALA CA C 13 52.037 0.300 . 1 . . . . 37 ALA CA . 11227 1 353 . 1 1 37 37 ALA CB C 13 20.295 0.300 . 1 . . . . 37 ALA CB . 11227 1 354 . 1 1 37 37 ALA N N 15 123.477 0.300 . 1 . . . . 37 ALA N . 11227 1 355 . 1 1 38 38 VAL H H 1 8.325 0.030 . 1 . . . . 38 VAL H . 11227 1 356 . 1 1 38 38 VAL HA H 1 3.620 0.030 . 1 . . . . 38 VAL HA . 11227 1 357 . 1 1 38 38 VAL HB H 1 1.931 0.030 . 1 . . . . 38 VAL HB . 11227 1 358 . 1 1 38 38 VAL HG11 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1 359 . 1 1 38 38 VAL HG12 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1 360 . 1 1 38 38 VAL HG13 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1 361 . 1 1 38 38 VAL HG21 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1 362 . 1 1 38 38 VAL HG22 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1 363 . 1 1 38 38 VAL HG23 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1 364 . 1 1 38 38 VAL C C 13 176.019 0.300 . 1 . . . . 38 VAL C . 11227 1 365 . 1 1 38 38 VAL CA C 13 63.581 0.300 . 1 . . . . 38 VAL CA . 11227 1 366 . 1 1 38 38 VAL CB C 13 31.930 0.300 . 1 . . . . 38 VAL CB . 11227 1 367 . 1 1 38 38 VAL CG1 C 13 22.293 0.300 . 2 . . . . 38 VAL CG1 . 11227 1 368 . 1 1 38 38 VAL CG2 C 13 22.533 0.300 . 2 . . . . 38 VAL CG2 . 11227 1 369 . 1 1 38 38 VAL N N 15 119.451 0.300 . 1 . . . . 38 VAL N . 11227 1 370 . 1 1 39 39 LEU H H 1 9.079 0.030 . 1 . . . . 39 LEU H . 11227 1 371 . 1 1 39 39 LEU HA H 1 4.292 0.030 . 1 . . . . 39 LEU HA . 11227 1 372 . 1 1 39 39 LEU HB2 H 1 1.295 0.030 . 1 . . . . 39 LEU HB2 . 11227 1 373 . 1 1 39 39 LEU HB3 H 1 1.295 0.030 . 1 . . . . 39 LEU HB3 . 11227 1 374 . 1 1 39 39 LEU HD11 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1 375 . 1 1 39 39 LEU HD12 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1 376 . 1 1 39 39 LEU HD13 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1 377 . 1 1 39 39 LEU HD21 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1 378 . 1 1 39 39 LEU HD22 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1 379 . 1 1 39 39 LEU HD23 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1 380 . 1 1 39 39 LEU HG H 1 1.579 0.030 . 1 . . . . 39 LEU HG . 11227 1 381 . 1 1 39 39 LEU C C 13 176.940 0.300 . 1 . . . . 39 LEU C . 11227 1 382 . 1 1 39 39 LEU CA C 13 56.181 0.300 . 1 . . . . 39 LEU CA . 11227 1 383 . 1 1 39 39 LEU CB C 13 43.136 0.300 . 1 . . . . 39 LEU CB . 11227 1 384 . 1 1 39 39 LEU CD1 C 13 25.318 0.300 . 2 . . . . 39 LEU CD1 . 11227 1 385 . 1 1 39 39 LEU CD2 C 13 22.193 0.300 . 2 . . . . 39 LEU CD2 . 11227 1 386 . 1 1 39 39 LEU CG C 13 27.160 0.300 . 1 . . . . 39 LEU CG . 11227 1 387 . 1 1 39 39 LEU N N 15 128.448 0.300 . 1 . . . . 39 LEU N . 11227 1 388 . 1 1 40 40 ASP H H 1 7.488 0.030 . 1 . . . . 40 ASP H . 11227 1 389 . 1 1 40 40 ASP HA H 1 4.313 0.030 . 1 . . . . 40 ASP HA . 11227 1 390 . 1 1 40 40 ASP HB2 H 1 3.216 0.030 . 2 . . . . 40 ASP HB2 . 11227 1 391 . 1 1 40 40 ASP HB3 H 1 2.920 0.030 . 2 . . . . 40 ASP HB3 . 11227 1 392 . 1 1 40 40 ASP C C 13 171.808 0.300 . 1 . . . . 40 ASP C . 11227 1 393 . 1 1 40 40 ASP CA C 13 53.200 0.300 . 1 . . . . 40 ASP CA . 11227 1 394 . 1 1 40 40 ASP CB C 13 41.739 0.300 . 1 . . . . 40 ASP CB . 11227 1 395 . 1 1 40 40 ASP N N 15 113.349 0.300 . 1 . . . . 40 ASP N . 11227 1 396 . 1 1 41 41 TYR H H 1 9.063 0.030 . 1 . . . . 41 TYR H . 11227 1 397 . 1 1 41 41 TYR HA H 1 5.604 0.030 . 1 . . . . 41 TYR HA . 11227 1 398 . 1 1 41 41 TYR HB2 H 1 3.147 0.030 . 2 . . . . 41 TYR HB2 . 11227 1 399 . 1 1 41 41 TYR HB3 H 1 2.980 0.030 . 2 . . . . 41 TYR HB3 . 11227 1 400 . 1 1 41 41 TYR HD1 H 1 6.898 0.030 . 3 . . . . 41 TYR HD1 . 11227 1 401 . 1 1 41 41 TYR HD2 H 1 7.263 0.030 . 3 . . . . 41 TYR HD2 . 11227 1 402 . 1 1 41 41 TYR HE1 H 1 6.682 0.030 . 1 . . . . 41 TYR HE1 . 11227 1 403 . 1 1 41 41 TYR HE2 H 1 6.682 0.030 . 1 . . . . 41 TYR HE2 . 11227 1 404 . 1 1 41 41 TYR C C 13 176.563 0.300 . 1 . . . . 41 TYR C . 11227 1 405 . 1 1 41 41 TYR CA C 13 56.519 0.300 . 1 . . . . 41 TYR CA . 11227 1 406 . 1 1 41 41 TYR CB C 13 42.799 0.300 . 1 . . . . 41 TYR CB . 11227 1 407 . 1 1 41 41 TYR CD1 C 13 131.048 0.300 . 3 . . . . 41 TYR CD1 . 11227 1 408 . 1 1 41 41 TYR CD2 C 13 131.632 0.300 . 3 . . . . 41 TYR CD2 . 11227 1 409 . 1 1 41 41 TYR CE1 C 13 117.350 0.300 . 1 . . . . 41 TYR CE1 . 11227 1 410 . 1 1 41 41 TYR CE2 C 13 117.350 0.300 . 1 . . . . 41 TYR CE2 . 11227 1 411 . 1 1 41 41 TYR N N 15 111.140 0.300 . 1 . . . . 41 TYR N . 11227 1 412 . 1 1 42 42 GLU H H 1 9.491 0.030 . 1 . . . . 42 GLU H . 11227 1 413 . 1 1 42 42 GLU HA H 1 5.368 0.030 . 1 . . . . 42 GLU HA . 11227 1 414 . 1 1 42 42 GLU HB2 H 1 2.062 0.030 . 2 . . . . 42 GLU HB2 . 11227 1 415 . 1 1 42 42 GLU HB3 H 1 1.894 0.030 . 2 . . . . 42 GLU HB3 . 11227 1 416 . 1 1 42 42 GLU HG2 H 1 2.248 0.030 . 1 . . . . 42 GLU HG2 . 11227 1 417 . 1 1 42 42 GLU HG3 H 1 2.248 0.030 . 1 . . . . 42 GLU HG3 . 11227 1 418 . 1 1 42 42 GLU C C 13 173.644 0.300 . 1 . . . . 42 GLU C . 11227 1 419 . 1 1 42 42 GLU CA C 13 55.613 0.300 . 1 . . . . 42 GLU CA . 11227 1 420 . 1 1 42 42 GLU CB C 13 34.737 0.300 . 1 . . . . 42 GLU CB . 11227 1 421 . 1 1 42 42 GLU CG C 13 38.581 0.300 . 1 . . . . 42 GLU CG . 11227 1 422 . 1 1 42 42 GLU N N 15 123.650 0.300 . 1 . . . . 42 GLU N . 11227 1 423 . 1 1 43 43 VAL H H 1 9.698 0.030 . 1 . . . . 43 VAL H . 11227 1 424 . 1 1 43 43 VAL HA H 1 4.715 0.030 . 1 . . . . 43 VAL HA . 11227 1 425 . 1 1 43 43 VAL HB H 1 2.230 0.030 . 1 . . . . 43 VAL HB . 11227 1 426 . 1 1 43 43 VAL HG11 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1 427 . 1 1 43 43 VAL HG12 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1 428 . 1 1 43 43 VAL HG13 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1 429 . 1 1 43 43 VAL HG21 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1 430 . 1 1 43 43 VAL HG22 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1 431 . 1 1 43 43 VAL HG23 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1 432 . 1 1 43 43 VAL C C 13 174.469 0.300 . 1 . . . . 43 VAL C . 11227 1 433 . 1 1 43 43 VAL CA C 13 60.775 0.300 . 1 . . . . 43 VAL CA . 11227 1 434 . 1 1 43 43 VAL CB C 13 33.466 0.300 . 1 . . . . 43 VAL CB . 11227 1 435 . 1 1 43 43 VAL CG1 C 13 21.797 0.300 . 2 . . . . 43 VAL CG1 . 11227 1 436 . 1 1 43 43 VAL CG2 C 13 21.821 0.300 . 2 . . . . 43 VAL CG2 . 11227 1 437 . 1 1 43 43 VAL N N 15 127.945 0.300 . 1 . . . . 43 VAL N . 11227 1 438 . 1 1 44 44 LYS H H 1 9.398 0.030 . 1 . . . . 44 LYS H . 11227 1 439 . 1 1 44 44 LYS HA H 1 5.108 0.030 . 1 . . . . 44 LYS HA . 11227 1 440 . 1 1 44 44 LYS HB2 H 1 1.322 0.030 . 2 . . . . 44 LYS HB2 . 11227 1 441 . 1 1 44 44 LYS HB3 H 1 1.185 0.030 . 2 . . . . 44 LYS HB3 . 11227 1 442 . 1 1 44 44 LYS HD2 H 1 0.966 0.030 . 2 . . . . 44 LYS HD2 . 11227 1 443 . 1 1 44 44 LYS HD3 H 1 1.199 0.030 . 2 . . . . 44 LYS HD3 . 11227 1 444 . 1 1 44 44 LYS HE2 H 1 2.103 0.030 . 2 . . . . 44 LYS HE2 . 11227 1 445 . 1 1 44 44 LYS HE3 H 1 2.272 0.030 . 2 . . . . 44 LYS HE3 . 11227 1 446 . 1 1 44 44 LYS HG2 H 1 0.613 0.030 . 2 . . . . 44 LYS HG2 . 11227 1 447 . 1 1 44 44 LYS HG3 H 1 0.763 0.030 . 2 . . . . 44 LYS HG3 . 11227 1 448 . 1 1 44 44 LYS C C 13 174.981 0.300 . 1 . . . . 44 LYS C . 11227 1 449 . 1 1 44 44 LYS CA C 13 54.075 0.300 . 1 . . . . 44 LYS CA . 11227 1 450 . 1 1 44 44 LYS CB C 13 36.569 0.300 . 1 . . . . 44 LYS CB . 11227 1 451 . 1 1 44 44 LYS CD C 13 29.215 0.300 . 1 . . . . 44 LYS CD . 11227 1 452 . 1 1 44 44 LYS CE C 13 41.310 0.300 . 1 . . . . 44 LYS CE . 11227 1 453 . 1 1 44 44 LYS CG C 13 24.049 0.300 . 1 . . . . 44 LYS CG . 11227 1 454 . 1 1 44 44 LYS N N 15 129.003 0.300 . 1 . . . . 44 LYS N . 11227 1 455 . 1 1 45 45 TYR H H 1 8.999 0.030 . 1 . . . . 45 TYR H . 11227 1 456 . 1 1 45 45 TYR HA H 1 5.963 0.030 . 1 . . . . 45 TYR HA . 11227 1 457 . 1 1 45 45 TYR HB2 H 1 2.885 0.030 . 2 . . . . 45 TYR HB2 . 11227 1 458 . 1 1 45 45 TYR HB3 H 1 2.578 0.030 . 2 . . . . 45 TYR HB3 . 11227 1 459 . 1 1 45 45 TYR HD1 H 1 6.636 0.030 . 1 . . . . 45 TYR HD1 . 11227 1 460 . 1 1 45 45 TYR HD2 H 1 6.636 0.030 . 1 . . . . 45 TYR HD2 . 11227 1 461 . 1 1 45 45 TYR HE1 H 1 6.403 0.030 . 1 . . . . 45 TYR HE1 . 11227 1 462 . 1 1 45 45 TYR HE2 H 1 6.403 0.030 . 1 . . . . 45 TYR HE2 . 11227 1 463 . 1 1 45 45 TYR C C 13 173.288 0.300 . 1 . . . . 45 TYR C . 11227 1 464 . 1 1 45 45 TYR CA C 13 55.190 0.300 . 1 . . . . 45 TYR CA . 11227 1 465 . 1 1 45 45 TYR CB C 13 42.055 0.300 . 1 . . . . 45 TYR CB . 11227 1 466 . 1 1 45 45 TYR CD1 C 13 133.271 0.300 . 1 . . . . 45 TYR CD1 . 11227 1 467 . 1 1 45 45 TYR CD2 C 13 133.271 0.300 . 1 . . . . 45 TYR CD2 . 11227 1 468 . 1 1 45 45 TYR CE1 C 13 117.907 0.300 . 1 . . . . 45 TYR CE1 . 11227 1 469 . 1 1 45 45 TYR CE2 C 13 117.907 0.300 . 1 . . . . 45 TYR CE2 . 11227 1 470 . 1 1 45 45 TYR N N 15 121.959 0.300 . 1 . . . . 45 TYR N . 11227 1 471 . 1 1 46 46 HIS H H 1 8.290 0.030 . 1 . . . . 46 HIS H . 11227 1 472 . 1 1 46 46 HIS HA H 1 5.007 0.030 . 1 . . . . 46 HIS HA . 11227 1 473 . 1 1 46 46 HIS HB2 H 1 3.200 0.030 . 2 . . . . 46 HIS HB2 . 11227 1 474 . 1 1 46 46 HIS HB3 H 1 3.027 0.030 . 2 . . . . 46 HIS HB3 . 11227 1 475 . 1 1 46 46 HIS HD2 H 1 6.674 0.030 . 1 . . . . 46 HIS HD2 . 11227 1 476 . 1 1 46 46 HIS HE1 H 1 8.168 0.030 . 1 . . . . 46 HIS HE1 . 11227 1 477 . 1 1 46 46 HIS C C 13 172.783 0.300 . 1 . . . . 46 HIS C . 11227 1 478 . 1 1 46 46 HIS CA C 13 54.073 0.300 . 1 . . . . 46 HIS CA . 11227 1 479 . 1 1 46 46 HIS CB C 13 32.604 0.300 . 1 . . . . 46 HIS CB . 11227 1 480 . 1 1 46 46 HIS CD2 C 13 117.783 0.300 . 1 . . . . 46 HIS CD2 . 11227 1 481 . 1 1 46 46 HIS CE1 C 13 137.492 0.300 . 1 . . . . 46 HIS CE1 . 11227 1 482 . 1 1 46 46 HIS N N 15 113.903 0.300 . 1 . . . . 46 HIS N . 11227 1 483 . 1 1 47 47 GLU H H 1 9.258 0.030 . 1 . . . . 47 GLU H . 11227 1 484 . 1 1 47 47 GLU HA H 1 3.687 0.030 . 1 . . . . 47 GLU HA . 11227 1 485 . 1 1 47 47 GLU HB2 H 1 1.824 0.030 . 2 . . . . 47 GLU HB2 . 11227 1 486 . 1 1 47 47 GLU HB3 H 1 1.719 0.030 . 2 . . . . 47 GLU HB3 . 11227 1 487 . 1 1 47 47 GLU HG2 H 1 1.970 0.030 . 2 . . . . 47 GLU HG2 . 11227 1 488 . 1 1 47 47 GLU HG3 H 1 1.906 0.030 . 2 . . . . 47 GLU HG3 . 11227 1 489 . 1 1 47 47 GLU C C 13 176.665 0.300 . 1 . . . . 47 GLU C . 11227 1 490 . 1 1 47 47 GLU CA C 13 55.972 0.300 . 1 . . . . 47 GLU CA . 11227 1 491 . 1 1 47 47 GLU CB C 13 30.081 0.300 . 1 . . . . 47 GLU CB . 11227 1 492 . 1 1 47 47 GLU CG C 13 35.769 0.300 . 1 . . . . 47 GLU CG . 11227 1 493 . 1 1 47 47 GLU N N 15 125.042 0.300 . 1 . . . . 47 GLU N . 11227 1 494 . 1 1 48 48 LYS H H 1 8.483 0.030 . 1 . . . . 48 LYS H . 11227 1 495 . 1 1 48 48 LYS HA H 1 3.852 0.030 . 1 . . . . 48 LYS HA . 11227 1 496 . 1 1 48 48 LYS HB2 H 1 1.678 0.030 . 2 . . . . 48 LYS HB2 . 11227 1 497 . 1 1 48 48 LYS HB3 H 1 1.261 0.030 . 2 . . . . 48 LYS HB3 . 11227 1 498 . 1 1 48 48 LYS HD2 H 1 1.550 0.030 . 1 . . . . 48 LYS HD2 . 11227 1 499 . 1 1 48 48 LYS HD3 H 1 1.550 0.030 . 1 . . . . 48 LYS HD3 . 11227 1 500 . 1 1 48 48 LYS HE2 H 1 2.875 0.030 . 1 . . . . 48 LYS HE2 . 11227 1 501 . 1 1 48 48 LYS HE3 H 1 2.875 0.030 . 1 . . . . 48 LYS HE3 . 11227 1 502 . 1 1 48 48 LYS HG2 H 1 1.270 0.030 . 1 . . . . 48 LYS HG2 . 11227 1 503 . 1 1 48 48 LYS HG3 H 1 1.270 0.030 . 1 . . . . 48 LYS HG3 . 11227 1 504 . 1 1 48 48 LYS C C 13 177.076 0.300 . 1 . . . . 48 LYS C . 11227 1 505 . 1 1 48 48 LYS CA C 13 58.238 0.300 . 1 . . . . 48 LYS CA . 11227 1 506 . 1 1 48 48 LYS CB C 13 32.589 0.300 . 1 . . . . 48 LYS CB . 11227 1 507 . 1 1 48 48 LYS CD C 13 29.568 0.300 . 1 . . . . 48 LYS CD . 11227 1 508 . 1 1 48 48 LYS CE C 13 41.901 0.300 . 1 . . . . 48 LYS CE . 11227 1 509 . 1 1 48 48 LYS CG C 13 25.000 0.300 . 1 . . . . 48 LYS CG . 11227 1 510 . 1 1 48 48 LYS N N 15 128.922 0.300 . 1 . . . . 48 LYS N . 11227 1 511 . 1 1 49 49 GLY H H 1 9.076 0.030 . 1 . . . . 49 GLY H . 11227 1 512 . 1 1 49 49 GLY HA2 H 1 4.193 0.030 . 2 . . . . 49 GLY HA2 . 11227 1 513 . 1 1 49 49 GLY HA3 H 1 3.730 0.030 . 2 . . . . 49 GLY HA3 . 11227 1 514 . 1 1 49 49 GLY C C 13 173.612 0.300 . 1 . . . . 49 GLY C . 11227 1 515 . 1 1 49 49 GLY CA C 13 45.105 0.300 . 1 . . . . 49 GLY CA . 11227 1 516 . 1 1 49 49 GLY N N 15 115.713 0.300 . 1 . . . . 49 GLY N . 11227 1 517 . 1 1 50 50 ALA H H 1 7.913 0.030 . 1 . . . . 50 ALA H . 11227 1 518 . 1 1 50 50 ALA HA H 1 4.446 0.030 . 1 . . . . 50 ALA HA . 11227 1 519 . 1 1 50 50 ALA HB1 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1 520 . 1 1 50 50 ALA HB2 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1 521 . 1 1 50 50 ALA HB3 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1 522 . 1 1 50 50 ALA C C 13 177.024 0.300 . 1 . . . . 50 ALA C . 11227 1 523 . 1 1 50 50 ALA CA C 13 52.057 0.300 . 1 . . . . 50 ALA CA . 11227 1 524 . 1 1 50 50 ALA CB C 13 19.537 0.300 . 1 . . . . 50 ALA CB . 11227 1 525 . 1 1 50 50 ALA N N 15 124.262 0.300 . 1 . . . . 50 ALA N . 11227 1 526 . 1 1 51 51 GLU H H 1 8.456 0.030 . 1 . . . . 51 GLU H . 11227 1 527 . 1 1 51 51 GLU HA H 1 4.349 0.030 . 1 . . . . 51 GLU HA . 11227 1 528 . 1 1 51 51 GLU HB2 H 1 2.009 0.030 . 2 . . . . 51 GLU HB2 . 11227 1 529 . 1 1 51 51 GLU HB3 H 1 1.786 0.030 . 2 . . . . 51 GLU HB3 . 11227 1 530 . 1 1 51 51 GLU HG2 H 1 2.139 0.030 . 2 . . . . 51 GLU HG2 . 11227 1 531 . 1 1 51 51 GLU HG3 H 1 2.088 0.030 . 2 . . . . 51 GLU HG3 . 11227 1 532 . 1 1 51 51 GLU C C 13 176.710 0.300 . 1 . . . . 51 GLU C . 11227 1 533 . 1 1 51 51 GLU CA C 13 55.613 0.300 . 1 . . . . 51 GLU CA . 11227 1 534 . 1 1 51 51 GLU CB C 13 31.708 0.300 . 1 . . . . 51 GLU CB . 11227 1 535 . 1 1 51 51 GLU CG C 13 35.973 0.300 . 1 . . . . 51 GLU CG . 11227 1 536 . 1 1 51 51 GLU N N 15 120.048 0.300 . 1 . . . . 51 GLU N . 11227 1 537 . 1 1 52 52 GLY H H 1 8.294 0.030 . 1 . . . . 52 GLY H . 11227 1 538 . 1 1 52 52 GLY HA2 H 1 4.036 0.030 . 2 . . . . 52 GLY HA2 . 11227 1 539 . 1 1 52 52 GLY HA3 H 1 4.284 0.030 . 2 . . . . 52 GLY HA3 . 11227 1 540 . 1 1 52 52 GLY C C 13 173.506 0.300 . 1 . . . . 52 GLY C . 11227 1 541 . 1 1 52 52 GLY CA C 13 44.931 0.300 . 1 . . . . 52 GLY CA . 11227 1 542 . 1 1 52 52 GLY N N 15 109.392 0.300 . 1 . . . . 52 GLY N . 11227 1 543 . 1 1 53 53 PRO HA H 1 4.300 0.030 . 1 . . . . 53 PRO HA . 11227 1 544 . 1 1 53 53 PRO HB2 H 1 2.316 0.030 . 2 . . . . 53 PRO HB2 . 11227 1 545 . 1 1 53 53 PRO HB3 H 1 1.999 0.030 . 2 . . . . 53 PRO HB3 . 11227 1 546 . 1 1 53 53 PRO HD2 H 1 3.734 0.030 . 2 . . . . 53 PRO HD2 . 11227 1 547 . 1 1 53 53 PRO HD3 H 1 3.646 0.030 . 2 . . . . 53 PRO HD3 . 11227 1 548 . 1 1 53 53 PRO HG2 H 1 2.020 0.030 . 2 . . . . 53 PRO HG2 . 11227 1 549 . 1 1 53 53 PRO HG3 H 1 2.077 0.030 . 2 . . . . 53 PRO HG3 . 11227 1 550 . 1 1 53 53 PRO CA C 13 64.730 0.300 . 1 . . . . 53 PRO CA . 11227 1 551 . 1 1 53 53 PRO CB C 13 31.833 0.300 . 1 . . . . 53 PRO CB . 11227 1 552 . 1 1 53 53 PRO CD C 13 50.030 0.300 . 1 . . . . 53 PRO CD . 11227 1 553 . 1 1 53 53 PRO CG C 13 27.288 0.300 . 1 . . . . 53 PRO CG . 11227 1 554 . 1 1 54 54 SER HA H 1 4.480 0.030 . 1 . . . . 54 SER HA . 11227 1 555 . 1 1 54 54 SER HB2 H 1 3.947 0.030 . 2 . . . . 54 SER HB2 . 11227 1 556 . 1 1 54 54 SER HB3 H 1 3.999 0.030 . 2 . . . . 54 SER HB3 . 11227 1 557 . 1 1 54 54 SER C C 13 174.961 0.300 . 1 . . . . 54 SER C . 11227 1 558 . 1 1 54 54 SER CA C 13 59.355 0.300 . 1 . . . . 54 SER CA . 11227 1 559 . 1 1 54 54 SER CB C 13 62.972 0.300 . 1 . . . . 54 SER CB . 11227 1 560 . 1 1 55 55 SER H H 1 7.934 0.030 . 1 . . . . 55 SER H . 11227 1 561 . 1 1 55 55 SER HA H 1 4.401 0.030 . 1 . . . . 55 SER HA . 11227 1 562 . 1 1 55 55 SER HB2 H 1 3.806 0.030 . 1 . . . . 55 SER HB2 . 11227 1 563 . 1 1 55 55 SER HB3 H 1 3.806 0.030 . 1 . . . . 55 SER HB3 . 11227 1 564 . 1 1 55 55 SER C C 13 173.721 0.300 . 1 . . . . 55 SER C . 11227 1 565 . 1 1 55 55 SER CA C 13 59.302 0.300 . 1 . . . . 55 SER CA . 11227 1 566 . 1 1 55 55 SER CB C 13 64.185 0.300 . 1 . . . . 55 SER CB . 11227 1 567 . 1 1 55 55 SER N N 15 116.227 0.300 . 1 . . . . 55 SER N . 11227 1 568 . 1 1 56 56 VAL H H 1 7.389 0.030 . 1 . . . . 56 VAL H . 11227 1 569 . 1 1 56 56 VAL HA H 1 3.983 0.030 . 1 . . . . 56 VAL HA . 11227 1 570 . 1 1 56 56 VAL HB H 1 1.807 0.030 . 1 . . . . 56 VAL HB . 11227 1 571 . 1 1 56 56 VAL HG11 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1 572 . 1 1 56 56 VAL HG12 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1 573 . 1 1 56 56 VAL HG13 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1 574 . 1 1 56 56 VAL HG21 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1 575 . 1 1 56 56 VAL HG22 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1 576 . 1 1 56 56 VAL HG23 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1 577 . 1 1 56 56 VAL C C 13 174.549 0.300 . 1 . . . . 56 VAL C . 11227 1 578 . 1 1 56 56 VAL CA C 13 62.573 0.300 . 1 . . . . 56 VAL CA . 11227 1 579 . 1 1 56 56 VAL CB C 13 32.025 0.300 . 1 . . . . 56 VAL CB . 11227 1 580 . 1 1 56 56 VAL CG1 C 13 22.558 0.300 . 2 . . . . 56 VAL CG1 . 11227 1 581 . 1 1 56 56 VAL CG2 C 13 21.703 0.300 . 2 . . . . 56 VAL CG2 . 11227 1 582 . 1 1 56 56 VAL N N 15 122.187 0.300 . 1 . . . . 56 VAL N . 11227 1 583 . 1 1 57 57 ARG H H 1 8.123 0.030 . 1 . . . . 57 ARG H . 11227 1 584 . 1 1 57 57 ARG HA H 1 4.480 0.030 . 1 . . . . 57 ARG HA . 11227 1 585 . 1 1 57 57 ARG HB2 H 1 1.397 0.030 . 2 . . . . 57 ARG HB2 . 11227 1 586 . 1 1 57 57 ARG HB3 H 1 0.268 0.030 . 2 . . . . 57 ARG HB3 . 11227 1 587 . 1 1 57 57 ARG HD2 H 1 3.119 0.030 . 1 . . . . 57 ARG HD2 . 11227 1 588 . 1 1 57 57 ARG HD3 H 1 3.119 0.030 . 1 . . . . 57 ARG HD3 . 11227 1 589 . 1 1 57 57 ARG HG2 H 1 1.410 0.030 . 2 . . . . 57 ARG HG2 . 11227 1 590 . 1 1 57 57 ARG HG3 H 1 1.455 0.030 . 2 . . . . 57 ARG HG3 . 11227 1 591 . 1 1 57 57 ARG C C 13 172.993 0.300 . 1 . . . . 57 ARG C . 11227 1 592 . 1 1 57 57 ARG CA C 13 53.746 0.300 . 1 . . . . 57 ARG CA . 11227 1 593 . 1 1 57 57 ARG CB C 13 33.174 0.300 . 1 . . . . 57 ARG CB . 11227 1 594 . 1 1 57 57 ARG CD C 13 43.307 0.300 . 1 . . . . 57 ARG CD . 11227 1 595 . 1 1 57 57 ARG CG C 13 27.089 0.300 . 1 . . . . 57 ARG CG . 11227 1 596 . 1 1 57 57 ARG N N 15 126.885 0.300 . 1 . . . . 57 ARG N . 11227 1 597 . 1 1 58 58 PHE H H 1 8.260 0.030 . 1 . . . . 58 PHE H . 11227 1 598 . 1 1 58 58 PHE HA H 1 5.971 0.030 . 1 . . . . 58 PHE HA . 11227 1 599 . 1 1 58 58 PHE HB2 H 1 3.048 0.030 . 2 . . . . 58 PHE HB2 . 11227 1 600 . 1 1 58 58 PHE HB3 H 1 2.809 0.030 . 2 . . . . 58 PHE HB3 . 11227 1 601 . 1 1 58 58 PHE HD1 H 1 7.136 0.030 . 1 . . . . 58 PHE HD1 . 11227 1 602 . 1 1 58 58 PHE HD2 H 1 7.136 0.030 . 1 . . . . 58 PHE HD2 . 11227 1 603 . 1 1 58 58 PHE HE1 H 1 7.179 0.030 . 1 . . . . 58 PHE HE1 . 11227 1 604 . 1 1 58 58 PHE HE2 H 1 7.179 0.030 . 1 . . . . 58 PHE HE2 . 11227 1 605 . 1 1 58 58 PHE HZ H 1 7.165 0.030 . 1 . . . . 58 PHE HZ . 11227 1 606 . 1 1 58 58 PHE C C 13 176.622 0.300 . 1 . . . . 58 PHE C . 11227 1 607 . 1 1 58 58 PHE CA C 13 56.060 0.300 . 1 . . . . 58 PHE CA . 11227 1 608 . 1 1 58 58 PHE CB C 13 43.962 0.300 . 1 . . . . 58 PHE CB . 11227 1 609 . 1 1 58 58 PHE CD1 C 13 131.910 0.300 . 1 . . . . 58 PHE CD1 . 11227 1 610 . 1 1 58 58 PHE CD2 C 13 131.910 0.300 . 1 . . . . 58 PHE CD2 . 11227 1 611 . 1 1 58 58 PHE CE1 C 13 130.720 0.300 . 1 . . . . 58 PHE CE1 . 11227 1 612 . 1 1 58 58 PHE CE2 C 13 130.720 0.300 . 1 . . . . 58 PHE CE2 . 11227 1 613 . 1 1 58 58 PHE CZ C 13 129.106 0.300 . 1 . . . . 58 PHE CZ . 11227 1 614 . 1 1 58 58 PHE N N 15 115.261 0.300 . 1 . . . . 58 PHE N . 11227 1 615 . 1 1 59 59 LEU H H 1 9.521 0.030 . 1 . . . . 59 LEU H . 11227 1 616 . 1 1 59 59 LEU HA H 1 4.901 0.030 . 1 . . . . 59 LEU HA . 11227 1 617 . 1 1 59 59 LEU HB2 H 1 1.774 0.030 . 1 . . . . 59 LEU HB2 . 11227 1 618 . 1 1 59 59 LEU HB3 H 1 1.774 0.030 . 1 . . . . 59 LEU HB3 . 11227 1 619 . 1 1 59 59 LEU HD11 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1 620 . 1 1 59 59 LEU HD12 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1 621 . 1 1 59 59 LEU HD13 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1 622 . 1 1 59 59 LEU HD21 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1 623 . 1 1 59 59 LEU HD22 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1 624 . 1 1 59 59 LEU HD23 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1 625 . 1 1 59 59 LEU HG H 1 1.710 0.030 . 1 . . . . 59 LEU HG . 11227 1 626 . 1 1 59 59 LEU C C 13 174.897 0.300 . 1 . . . . 59 LEU C . 11227 1 627 . 1 1 59 59 LEU CA C 13 54.894 0.300 . 1 . . . . 59 LEU CA . 11227 1 628 . 1 1 59 59 LEU CB C 13 46.640 0.300 . 1 . . . . 59 LEU CB . 11227 1 629 . 1 1 59 59 LEU CD1 C 13 26.544 0.300 . 2 . . . . 59 LEU CD1 . 11227 1 630 . 1 1 59 59 LEU CD2 C 13 24.848 0.300 . 2 . . . . 59 LEU CD2 . 11227 1 631 . 1 1 59 59 LEU CG C 13 27.279 0.300 . 1 . . . . 59 LEU CG . 11227 1 632 . 1 1 59 59 LEU N N 15 124.471 0.300 . 1 . . . . 59 LEU N . 11227 1 633 . 1 1 60 60 LYS H H 1 8.957 0.030 . 1 . . . . 60 LYS H . 11227 1 634 . 1 1 60 60 LYS HA H 1 5.543 0.030 . 1 . . . . 60 LYS HA . 11227 1 635 . 1 1 60 60 LYS HB2 H 1 1.943 0.030 . 1 . . . . 60 LYS HB2 . 11227 1 636 . 1 1 60 60 LYS HB3 H 1 1.943 0.030 . 1 . . . . 60 LYS HB3 . 11227 1 637 . 1 1 60 60 LYS HD2 H 1 1.763 0.030 . 1 . . . . 60 LYS HD2 . 11227 1 638 . 1 1 60 60 LYS HD3 H 1 1.763 0.030 . 1 . . . . 60 LYS HD3 . 11227 1 639 . 1 1 60 60 LYS HE2 H 1 3.014 0.030 . 1 . . . . 60 LYS HE2 . 11227 1 640 . 1 1 60 60 LYS HE3 H 1 3.014 0.030 . 1 . . . . 60 LYS HE3 . 11227 1 641 . 1 1 60 60 LYS HG2 H 1 1.493 0.030 . 2 . . . . 60 LYS HG2 . 11227 1 642 . 1 1 60 60 LYS HG3 H 1 1.724 0.030 . 2 . . . . 60 LYS HG3 . 11227 1 643 . 1 1 60 60 LYS C C 13 176.194 0.300 . 1 . . . . 60 LYS C . 11227 1 644 . 1 1 60 60 LYS CA C 13 55.552 0.300 . 1 . . . . 60 LYS CA . 11227 1 645 . 1 1 60 60 LYS CB C 13 34.226 0.300 . 1 . . . . 60 LYS CB . 11227 1 646 . 1 1 60 60 LYS CD C 13 29.295 0.300 . 1 . . . . 60 LYS CD . 11227 1 647 . 1 1 60 60 LYS CE C 13 41.988 0.300 . 1 . . . . 60 LYS CE . 11227 1 648 . 1 1 60 60 LYS CG C 13 25.568 0.300 . 1 . . . . 60 LYS CG . 11227 1 649 . 1 1 60 60 LYS N N 15 126.384 0.300 . 1 . . . . 60 LYS N . 11227 1 650 . 1 1 61 61 THR H H 1 8.686 0.030 . 1 . . . . 61 THR H . 11227 1 651 . 1 1 61 61 THR HA H 1 5.142 0.030 . 1 . . . . 61 THR HA . 11227 1 652 . 1 1 61 61 THR HB H 1 4.552 0.030 . 1 . . . . 61 THR HB . 11227 1 653 . 1 1 61 61 THR HG21 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1 654 . 1 1 61 61 THR HG22 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1 655 . 1 1 61 61 THR HG23 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1 656 . 1 1 61 61 THR C C 13 172.834 0.300 . 1 . . . . 61 THR C . 11227 1 657 . 1 1 61 61 THR CA C 13 59.394 0.300 . 1 . . . . 61 THR CA . 11227 1 658 . 1 1 61 61 THR CB C 13 70.222 0.300 . 1 . . . . 61 THR CB . 11227 1 659 . 1 1 61 61 THR CG2 C 13 19.910 0.300 . 1 . . . . 61 THR CG2 . 11227 1 660 . 1 1 61 61 THR N N 15 116.231 0.300 . 1 . . . . 61 THR N . 11227 1 661 . 1 1 62 62 SER H H 1 9.117 0.030 . 1 . . . . 62 SER H . 11227 1 662 . 1 1 62 62 SER HA H 1 4.809 0.030 . 1 . . . . 62 SER HA . 11227 1 663 . 1 1 62 62 SER HB2 H 1 4.209 0.030 . 2 . . . . 62 SER HB2 . 11227 1 664 . 1 1 62 62 SER HB3 H 1 4.136 0.030 . 2 . . . . 62 SER HB3 . 11227 1 665 . 1 1 62 62 SER C C 13 173.742 0.300 . 1 . . . . 62 SER C . 11227 1 666 . 1 1 62 62 SER CA C 13 59.305 0.300 . 1 . . . . 62 SER CA . 11227 1 667 . 1 1 62 62 SER CB C 13 63.677 0.300 . 1 . . . . 62 SER CB . 11227 1 668 . 1 1 62 62 SER N N 15 121.031 0.300 . 1 . . . . 62 SER N . 11227 1 669 . 1 1 63 63 GLU H H 1 8.251 0.030 . 1 . . . . 63 GLU H . 11227 1 670 . 1 1 63 63 GLU HA H 1 4.894 0.030 . 1 . . . . 63 GLU HA . 11227 1 671 . 1 1 63 63 GLU HB2 H 1 2.068 0.030 . 2 . . . . 63 GLU HB2 . 11227 1 672 . 1 1 63 63 GLU HB3 H 1 1.933 0.030 . 2 . . . . 63 GLU HB3 . 11227 1 673 . 1 1 63 63 GLU HG2 H 1 2.271 0.030 . 1 . . . . 63 GLU HG2 . 11227 1 674 . 1 1 63 63 GLU HG3 H 1 2.271 0.030 . 1 . . . . 63 GLU HG3 . 11227 1 675 . 1 1 63 63 GLU C C 13 174.505 0.300 . 1 . . . . 63 GLU C . 11227 1 676 . 1 1 63 63 GLU CA C 13 54.480 0.300 . 1 . . . . 63 GLU CA . 11227 1 677 . 1 1 63 63 GLU CB C 13 32.690 0.300 . 1 . . . . 63 GLU CB . 11227 1 678 . 1 1 63 63 GLU CG C 13 35.920 0.300 . 1 . . . . 63 GLU CG . 11227 1 679 . 1 1 63 63 GLU N N 15 120.602 0.300 . 1 . . . . 63 GLU N . 11227 1 680 . 1 1 64 64 ASN H H 1 8.446 0.030 . 1 . . . . 64 ASN H . 11227 1 681 . 1 1 64 64 ASN HA H 1 3.574 0.030 . 1 . . . . 64 ASN HA . 11227 1 682 . 1 1 64 64 ASN HB2 H 1 1.936 0.030 . 2 . . . . 64 ASN HB2 . 11227 1 683 . 1 1 64 64 ASN HB3 H 1 1.750 0.030 . 2 . . . . 64 ASN HB3 . 11227 1 684 . 1 1 64 64 ASN HD21 H 1 6.836 0.030 . 2 . . . . 64 ASN HD21 . 11227 1 685 . 1 1 64 64 ASN HD22 H 1 7.950 0.030 . 2 . . . . 64 ASN HD22 . 11227 1 686 . 1 1 64 64 ASN C C 13 173.156 0.300 . 1 . . . . 64 ASN C . 11227 1 687 . 1 1 64 64 ASN CA C 13 52.443 0.300 . 1 . . . . 64 ASN CA . 11227 1 688 . 1 1 64 64 ASN CB C 13 34.298 0.300 . 1 . . . . 64 ASN CB . 11227 1 689 . 1 1 64 64 ASN N N 15 118.249 0.300 . 1 . . . . 64 ASN N . 11227 1 690 . 1 1 64 64 ASN ND2 N 15 115.220 0.300 . 1 . . . . 64 ASN ND2 . 11227 1 691 . 1 1 65 65 ARG H H 1 7.079 0.030 . 1 . . . . 65 ARG H . 11227 1 692 . 1 1 65 65 ARG HA H 1 3.888 0.030 . 1 . . . . 65 ARG HA . 11227 1 693 . 1 1 65 65 ARG HB2 H 1 1.655 0.030 . 2 . . . . 65 ARG HB2 . 11227 1 694 . 1 1 65 65 ARG HB3 H 1 1.514 0.030 . 2 . . . . 65 ARG HB3 . 11227 1 695 . 1 1 65 65 ARG HD2 H 1 2.948 0.030 . 1 . . . . 65 ARG HD2 . 11227 1 696 . 1 1 65 65 ARG HD3 H 1 2.948 0.030 . 1 . . . . 65 ARG HD3 . 11227 1 697 . 1 1 65 65 ARG HG2 H 1 1.149 0.030 . 1 . . . . 65 ARG HG2 . 11227 1 698 . 1 1 65 65 ARG HG3 H 1 1.149 0.030 . 1 . . . . 65 ARG HG3 . 11227 1 699 . 1 1 65 65 ARG C C 13 174.178 0.300 . 1 . . . . 65 ARG C . 11227 1 700 . 1 1 65 65 ARG CA C 13 54.552 0.300 . 1 . . . . 65 ARG CA . 11227 1 701 . 1 1 65 65 ARG CB C 13 32.332 0.300 . 1 . . . . 65 ARG CB . 11227 1 702 . 1 1 65 65 ARG CD C 13 43.325 0.300 . 1 . . . . 65 ARG CD . 11227 1 703 . 1 1 65 65 ARG CG C 13 25.450 0.300 . 1 . . . . 65 ARG CG . 11227 1 704 . 1 1 65 65 ARG N N 15 114.478 0.300 . 1 . . . . 65 ARG N . 11227 1 705 . 1 1 66 66 ALA H H 1 8.201 0.030 . 1 . . . . 66 ALA H . 11227 1 706 . 1 1 66 66 ALA HA H 1 4.598 0.030 . 1 . . . . 66 ALA HA . 11227 1 707 . 1 1 66 66 ALA HB1 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1 708 . 1 1 66 66 ALA HB2 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1 709 . 1 1 66 66 ALA HB3 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1 710 . 1 1 66 66 ALA C C 13 174.459 0.300 . 1 . . . . 66 ALA C . 11227 1 711 . 1 1 66 66 ALA CA C 13 51.746 0.300 . 1 . . . . 66 ALA CA . 11227 1 712 . 1 1 66 66 ALA CB C 13 23.339 0.300 . 1 . . . . 66 ALA CB . 11227 1 713 . 1 1 66 66 ALA N N 15 118.248 0.300 . 1 . . . . 66 ALA N . 11227 1 714 . 1 1 67 67 GLU H H 1 8.422 0.030 . 1 . . . . 67 GLU H . 11227 1 715 . 1 1 67 67 GLU HA H 1 4.988 0.030 . 1 . . . . 67 GLU HA . 11227 1 716 . 1 1 67 67 GLU HB2 H 1 1.781 0.030 . 2 . . . . 67 GLU HB2 . 11227 1 717 . 1 1 67 67 GLU HB3 H 1 1.859 0.030 . 2 . . . . 67 GLU HB3 . 11227 1 718 . 1 1 67 67 GLU HG2 H 1 2.002 0.030 . 2 . . . . 67 GLU HG2 . 11227 1 719 . 1 1 67 67 GLU HG3 H 1 2.053 0.030 . 2 . . . . 67 GLU HG3 . 11227 1 720 . 1 1 67 67 GLU C C 13 174.524 0.300 . 1 . . . . 67 GLU C . 11227 1 721 . 1 1 67 67 GLU CA C 13 54.575 0.300 . 1 . . . . 67 GLU CA . 11227 1 722 . 1 1 67 67 GLU CB C 13 31.175 0.300 . 1 . . . . 67 GLU CB . 11227 1 723 . 1 1 67 67 GLU CG C 13 35.427 0.300 . 1 . . . . 67 GLU CG . 11227 1 724 . 1 1 67 67 GLU N N 15 121.545 0.300 . 1 . . . . 67 GLU N . 11227 1 725 . 1 1 68 68 LEU H H 1 9.052 0.030 . 1 . . . . 68 LEU H . 11227 1 726 . 1 1 68 68 LEU HA H 1 4.380 0.030 . 1 . . . . 68 LEU HA . 11227 1 727 . 1 1 68 68 LEU HB2 H 1 1.498 0.030 . 2 . . . . 68 LEU HB2 . 11227 1 728 . 1 1 68 68 LEU HB3 H 1 0.695 0.030 . 2 . . . . 68 LEU HB3 . 11227 1 729 . 1 1 68 68 LEU HD11 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1 730 . 1 1 68 68 LEU HD12 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1 731 . 1 1 68 68 LEU HD13 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1 732 . 1 1 68 68 LEU HD21 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1 733 . 1 1 68 68 LEU HD22 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1 734 . 1 1 68 68 LEU HD23 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1 735 . 1 1 68 68 LEU HG H 1 1.178 0.030 . 1 . . . . 68 LEU HG . 11227 1 736 . 1 1 68 68 LEU C C 13 175.167 0.300 . 1 . . . . 68 LEU C . 11227 1 737 . 1 1 68 68 LEU CA C 13 53.318 0.300 . 1 . . . . 68 LEU CA . 11227 1 738 . 1 1 68 68 LEU CB C 13 41.693 0.300 . 1 . . . . 68 LEU CB . 11227 1 739 . 1 1 68 68 LEU CD1 C 13 24.268 0.300 . 2 . . . . 68 LEU CD1 . 11227 1 740 . 1 1 68 68 LEU CD2 C 13 22.575 0.300 . 2 . . . . 68 LEU CD2 . 11227 1 741 . 1 1 68 68 LEU CG C 13 26.435 0.300 . 1 . . . . 68 LEU CG . 11227 1 742 . 1 1 68 68 LEU N N 15 126.217 0.300 . 1 . . . . 68 LEU N . 11227 1 743 . 1 1 69 69 ARG H H 1 8.199 0.030 . 1 . . . . 69 ARG H . 11227 1 744 . 1 1 69 69 ARG HA H 1 4.774 0.030 . 1 . . . . 69 ARG HA . 11227 1 745 . 1 1 69 69 ARG HB2 H 1 1.876 0.030 . 2 . . . . 69 ARG HB2 . 11227 1 746 . 1 1 69 69 ARG HB3 H 1 1.658 0.030 . 2 . . . . 69 ARG HB3 . 11227 1 747 . 1 1 69 69 ARG HD2 H 1 3.151 0.030 . 1 . . . . 69 ARG HD2 . 11227 1 748 . 1 1 69 69 ARG HD3 H 1 3.151 0.030 . 1 . . . . 69 ARG HD3 . 11227 1 749 . 1 1 69 69 ARG HG2 H 1 1.475 0.030 . 1 . . . . 69 ARG HG2 . 11227 1 750 . 1 1 69 69 ARG HG3 H 1 1.475 0.030 . 1 . . . . 69 ARG HG3 . 11227 1 751 . 1 1 69 69 ARG C C 13 176.101 0.300 . 1 . . . . 69 ARG C . 11227 1 752 . 1 1 69 69 ARG CA C 13 54.547 0.300 . 1 . . . . 69 ARG CA . 11227 1 753 . 1 1 69 69 ARG CB C 13 33.320 0.300 . 1 . . . . 69 ARG CB . 11227 1 754 . 1 1 69 69 ARG CD C 13 43.305 0.300 . 1 . . . . 69 ARG CD . 11227 1 755 . 1 1 69 69 ARG CG C 13 27.942 0.300 . 1 . . . . 69 ARG CG . 11227 1 756 . 1 1 69 69 ARG N N 15 120.899 0.300 . 1 . . . . 69 ARG N . 11227 1 757 . 1 1 70 70 GLY H H 1 8.858 0.030 . 1 . . . . 70 GLY H . 11227 1 758 . 1 1 70 70 GLY HA2 H 1 3.898 0.030 . 1 . . . . 70 GLY HA2 . 11227 1 759 . 1 1 70 70 GLY HA3 H 1 3.898 0.030 . 1 . . . . 70 GLY HA3 . 11227 1 760 . 1 1 70 70 GLY C C 13 175.618 0.300 . 1 . . . . 70 GLY C . 11227 1 761 . 1 1 70 70 GLY CA C 13 46.463 0.300 . 1 . . . . 70 GLY CA . 11227 1 762 . 1 1 70 70 GLY N N 15 108.827 0.300 . 1 . . . . 70 GLY N . 11227 1 763 . 1 1 71 71 LEU H H 1 8.237 0.030 . 1 . . . . 71 LEU H . 11227 1 764 . 1 1 71 71 LEU HA H 1 4.171 0.030 . 1 . . . . 71 LEU HA . 11227 1 765 . 1 1 71 71 LEU HB2 H 1 1.387 0.030 . 2 . . . . 71 LEU HB2 . 11227 1 766 . 1 1 71 71 LEU HB3 H 1 1.029 0.030 . 2 . . . . 71 LEU HB3 . 11227 1 767 . 1 1 71 71 LEU HD11 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1 768 . 1 1 71 71 LEU HD12 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1 769 . 1 1 71 71 LEU HD13 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1 770 . 1 1 71 71 LEU HD21 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1 771 . 1 1 71 71 LEU HD22 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1 772 . 1 1 71 71 LEU HD23 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1 773 . 1 1 71 71 LEU HG H 1 1.031 0.030 . 1 . . . . 71 LEU HG . 11227 1 774 . 1 1 71 71 LEU C C 13 175.943 0.300 . 1 . . . . 71 LEU C . 11227 1 775 . 1 1 71 71 LEU CA C 13 53.339 0.300 . 1 . . . . 71 LEU CA . 11227 1 776 . 1 1 71 71 LEU CB C 13 40.937 0.300 . 1 . . . . 71 LEU CB . 11227 1 777 . 1 1 71 71 LEU CD1 C 13 25.851 0.300 . 2 . . . . 71 LEU CD1 . 11227 1 778 . 1 1 71 71 LEU CD2 C 13 19.950 0.300 . 2 . . . . 71 LEU CD2 . 11227 1 779 . 1 1 71 71 LEU CG C 13 26.019 0.300 . 1 . . . . 71 LEU CG . 11227 1 780 . 1 1 71 71 LEU N N 15 118.701 0.300 . 1 . . . . 71 LEU N . 11227 1 781 . 1 1 72 72 LYS H H 1 8.099 0.030 . 1 . . . . 72 LYS H . 11227 1 782 . 1 1 72 72 LYS HA H 1 4.227 0.030 . 1 . . . . 72 LYS HA . 11227 1 783 . 1 1 72 72 LYS HB2 H 1 1.685 0.030 . 2 . . . . 72 LYS HB2 . 11227 1 784 . 1 1 72 72 LYS HB3 H 1 1.774 0.030 . 2 . . . . 72 LYS HB3 . 11227 1 785 . 1 1 72 72 LYS HD2 H 1 1.649 0.030 . 1 . . . . 72 LYS HD2 . 11227 1 786 . 1 1 72 72 LYS HD3 H 1 1.649 0.030 . 1 . . . . 72 LYS HD3 . 11227 1 787 . 1 1 72 72 LYS HE2 H 1 2.974 0.030 . 1 . . . . 72 LYS HE2 . 11227 1 788 . 1 1 72 72 LYS HE3 H 1 2.974 0.030 . 1 . . . . 72 LYS HE3 . 11227 1 789 . 1 1 72 72 LYS HG2 H 1 1.534 0.030 . 2 . . . . 72 LYS HG2 . 11227 1 790 . 1 1 72 72 LYS HG3 H 1 1.403 0.030 . 2 . . . . 72 LYS HG3 . 11227 1 791 . 1 1 72 72 LYS C C 13 176.815 0.300 . 1 . . . . 72 LYS C . 11227 1 792 . 1 1 72 72 LYS CA C 13 56.261 0.300 . 1 . . . . 72 LYS CA . 11227 1 793 . 1 1 72 72 LYS CB C 13 33.593 0.300 . 1 . . . . 72 LYS CB . 11227 1 794 . 1 1 72 72 LYS CD C 13 29.564 0.300 . 1 . . . . 72 LYS CD . 11227 1 795 . 1 1 72 72 LYS CE C 13 41.988 0.300 . 1 . . . . 72 LYS CE . 11227 1 796 . 1 1 72 72 LYS CG C 13 25.076 0.300 . 1 . . . . 72 LYS CG . 11227 1 797 . 1 1 72 72 LYS N N 15 120.511 0.300 . 1 . . . . 72 LYS N . 11227 1 798 . 1 1 73 73 ARG H H 1 8.363 0.030 . 1 . . . . 73 ARG H . 11227 1 799 . 1 1 73 73 ARG HA H 1 4.532 0.030 . 1 . . . . 73 ARG HA . 11227 1 800 . 1 1 73 73 ARG HB2 H 1 1.800 0.030 . 2 . . . . 73 ARG HB2 . 11227 1 801 . 1 1 73 73 ARG HB3 H 1 1.848 0.030 . 2 . . . . 73 ARG HB3 . 11227 1 802 . 1 1 73 73 ARG HD2 H 1 3.153 0.030 . 1 . . . . 73 ARG HD2 . 11227 1 803 . 1 1 73 73 ARG HD3 H 1 3.153 0.030 . 1 . . . . 73 ARG HD3 . 11227 1 804 . 1 1 73 73 ARG HG2 H 1 1.525 0.030 . 2 . . . . 73 ARG HG2 . 11227 1 805 . 1 1 73 73 ARG HG3 H 1 1.742 0.030 . 2 . . . . 73 ARG HG3 . 11227 1 806 . 1 1 73 73 ARG C C 13 177.856 0.300 . 1 . . . . 73 ARG C . 11227 1 807 . 1 1 73 73 ARG CA C 13 56.677 0.300 . 1 . . . . 73 ARG CA . 11227 1 808 . 1 1 73 73 ARG CB C 13 31.680 0.300 . 1 . . . . 73 ARG CB . 11227 1 809 . 1 1 73 73 ARG CD C 13 43.317 0.300 . 1 . . . . 73 ARG CD . 11227 1 810 . 1 1 73 73 ARG CG C 13 27.307 0.300 . 1 . . . . 73 ARG CG . 11227 1 811 . 1 1 73 73 ARG N N 15 125.650 0.300 . 1 . . . . 73 ARG N . 11227 1 812 . 1 1 74 74 GLY H H 1 8.422 0.030 . 1 . . . . 74 GLY H . 11227 1 813 . 1 1 74 74 GLY HA2 H 1 3.949 0.030 . 2 . . . . 74 GLY HA2 . 11227 1 814 . 1 1 74 74 GLY HA3 H 1 3.644 0.030 . 2 . . . . 74 GLY HA3 . 11227 1 815 . 1 1 74 74 GLY C C 13 173.381 0.300 . 1 . . . . 74 GLY C . 11227 1 816 . 1 1 74 74 GLY CA C 13 46.489 0.300 . 1 . . . . 74 GLY CA . 11227 1 817 . 1 1 75 75 ALA H H 1 7.639 0.030 . 1 . . . . 75 ALA H . 11227 1 818 . 1 1 75 75 ALA HA H 1 4.566 0.030 . 1 . . . . 75 ALA HA . 11227 1 819 . 1 1 75 75 ALA HB1 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1 820 . 1 1 75 75 ALA HB2 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1 821 . 1 1 75 75 ALA HB3 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1 822 . 1 1 75 75 ALA C C 13 176.360 0.300 . 1 . . . . 75 ALA C . 11227 1 823 . 1 1 75 75 ALA CA C 13 51.263 0.300 . 1 . . . . 75 ALA CA . 11227 1 824 . 1 1 75 75 ALA CB C 13 21.573 0.300 . 1 . . . . 75 ALA CB . 11227 1 825 . 1 1 75 75 ALA N N 15 122.908 0.300 . 1 . . . . 75 ALA N . 11227 1 826 . 1 1 76 76 SER H H 1 8.527 0.030 . 1 . . . . 76 SER H . 11227 1 827 . 1 1 76 76 SER HA H 1 4.895 0.030 . 1 . . . . 76 SER HA . 11227 1 828 . 1 1 76 76 SER HB2 H 1 3.734 0.030 . 1 . . . . 76 SER HB2 . 11227 1 829 . 1 1 76 76 SER HB3 H 1 3.734 0.030 . 1 . . . . 76 SER HB3 . 11227 1 830 . 1 1 76 76 SER C C 13 173.065 0.300 . 1 . . . . 76 SER C . 11227 1 831 . 1 1 76 76 SER CA C 13 58.050 0.300 . 1 . . . . 76 SER CA . 11227 1 832 . 1 1 76 76 SER CB C 13 64.722 0.300 . 1 . . . . 76 SER CB . 11227 1 833 . 1 1 76 76 SER N N 15 115.983 0.300 . 1 . . . . 76 SER N . 11227 1 834 . 1 1 77 77 TYR H H 1 8.943 0.030 . 1 . . . . 77 TYR H . 11227 1 835 . 1 1 77 77 TYR HA H 1 4.735 0.030 . 1 . . . . 77 TYR HA . 11227 1 836 . 1 1 77 77 TYR HB2 H 1 2.450 0.030 . 1 . . . . 77 TYR HB2 . 11227 1 837 . 1 1 77 77 TYR HB3 H 1 2.450 0.030 . 1 . . . . 77 TYR HB3 . 11227 1 838 . 1 1 77 77 TYR HD1 H 1 6.835 0.030 . 1 . . . . 77 TYR HD1 . 11227 1 839 . 1 1 77 77 TYR HD2 H 1 6.835 0.030 . 1 . . . . 77 TYR HD2 . 11227 1 840 . 1 1 77 77 TYR HE1 H 1 6.850 0.030 . 1 . . . . 77 TYR HE1 . 11227 1 841 . 1 1 77 77 TYR HE2 H 1 6.850 0.030 . 1 . . . . 77 TYR HE2 . 11227 1 842 . 1 1 77 77 TYR C C 13 174.050 0.300 . 1 . . . . 77 TYR C . 11227 1 843 . 1 1 77 77 TYR CA C 13 57.799 0.300 . 1 . . . . 77 TYR CA . 11227 1 844 . 1 1 77 77 TYR CB C 13 42.222 0.300 . 1 . . . . 77 TYR CB . 11227 1 845 . 1 1 77 77 TYR CD1 C 13 131.933 0.300 . 1 . . . . 77 TYR CD1 . 11227 1 846 . 1 1 77 77 TYR CD2 C 13 131.933 0.300 . 1 . . . . 77 TYR CD2 . 11227 1 847 . 1 1 77 77 TYR CE1 C 13 118.728 0.300 . 1 . . . . 77 TYR CE1 . 11227 1 848 . 1 1 77 77 TYR CE2 C 13 118.728 0.300 . 1 . . . . 77 TYR CE2 . 11227 1 849 . 1 1 77 77 TYR N N 15 121.948 0.300 . 1 . . . . 77 TYR N . 11227 1 850 . 1 1 78 78 LEU H H 1 8.609 0.030 . 1 . . . . 78 LEU H . 11227 1 851 . 1 1 78 78 LEU HA H 1 4.914 0.030 . 1 . . . . 78 LEU HA . 11227 1 852 . 1 1 78 78 LEU HB2 H 1 1.060 0.030 . 2 . . . . 78 LEU HB2 . 11227 1 853 . 1 1 78 78 LEU HB3 H 1 0.915 0.030 . 2 . . . . 78 LEU HB3 . 11227 1 854 . 1 1 78 78 LEU HD11 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1 855 . 1 1 78 78 LEU HD12 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1 856 . 1 1 78 78 LEU HD13 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1 857 . 1 1 78 78 LEU HD21 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1 858 . 1 1 78 78 LEU HD22 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1 859 . 1 1 78 78 LEU HD23 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1 860 . 1 1 78 78 LEU HG H 1 1.217 0.030 . 1 . . . . 78 LEU HG . 11227 1 861 . 1 1 78 78 LEU C C 13 176.406 0.300 . 1 . . . . 78 LEU C . 11227 1 862 . 1 1 78 78 LEU CA C 13 53.412 0.300 . 1 . . . . 78 LEU CA . 11227 1 863 . 1 1 78 78 LEU CB C 13 42.972 0.300 . 1 . . . . 78 LEU CB . 11227 1 864 . 1 1 78 78 LEU CD1 C 13 25.091 0.300 . 2 . . . . 78 LEU CD1 . 11227 1 865 . 1 1 78 78 LEU CD2 C 13 23.762 0.300 . 2 . . . . 78 LEU CD2 . 11227 1 866 . 1 1 78 78 LEU CG C 13 27.708 0.300 . 1 . . . . 78 LEU CG . 11227 1 867 . 1 1 78 78 LEU N N 15 122.989 0.300 . 1 . . . . 78 LEU N . 11227 1 868 . 1 1 79 79 VAL H H 1 8.697 0.030 . 1 . . . . 79 VAL H . 11227 1 869 . 1 1 79 79 VAL HA H 1 5.044 0.030 . 1 . . . . 79 VAL HA . 11227 1 870 . 1 1 79 79 VAL HB H 1 1.864 0.030 . 1 . . . . 79 VAL HB . 11227 1 871 . 1 1 79 79 VAL HG11 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1 872 . 1 1 79 79 VAL HG12 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1 873 . 1 1 79 79 VAL HG13 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1 874 . 1 1 79 79 VAL HG21 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1 875 . 1 1 79 79 VAL HG22 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1 876 . 1 1 79 79 VAL HG23 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1 877 . 1 1 79 79 VAL C C 13 174.877 0.300 . 1 . . . . 79 VAL C . 11227 1 878 . 1 1 79 79 VAL CA C 13 60.472 0.300 . 1 . . . . 79 VAL CA . 11227 1 879 . 1 1 79 79 VAL CB C 13 35.410 0.300 . 1 . . . . 79 VAL CB . 11227 1 880 . 1 1 79 79 VAL CG1 C 13 21.583 0.300 . 2 . . . . 79 VAL CG1 . 11227 1 881 . 1 1 79 79 VAL CG2 C 13 20.564 0.300 . 2 . . . . 79 VAL CG2 . 11227 1 882 . 1 1 79 79 VAL N N 15 121.754 0.300 . 1 . . . . 79 VAL N . 11227 1 883 . 1 1 80 80 GLN H H 1 9.066 0.030 . 1 . . . . 80 GLN H . 11227 1 884 . 1 1 80 80 GLN HA H 1 4.896 0.030 . 1 . . . . 80 GLN HA . 11227 1 885 . 1 1 80 80 GLN HB2 H 1 1.519 0.030 . 2 . . . . 80 GLN HB2 . 11227 1 886 . 1 1 80 80 GLN HB3 H 1 2.097 0.030 . 2 . . . . 80 GLN HB3 . 11227 1 887 . 1 1 80 80 GLN HE21 H 1 7.770 0.030 . 2 . . . . 80 GLN HE21 . 11227 1 888 . 1 1 80 80 GLN HE22 H 1 6.887 0.030 . 2 . . . . 80 GLN HE22 . 11227 1 889 . 1 1 80 80 GLN HG2 H 1 2.273 0.030 . 2 . . . . 80 GLN HG2 . 11227 1 890 . 1 1 80 80 GLN HG3 H 1 1.994 0.030 . 2 . . . . 80 GLN HG3 . 11227 1 891 . 1 1 80 80 GLN C C 13 173.935 0.300 . 1 . . . . 80 GLN C . 11227 1 892 . 1 1 80 80 GLN CA C 13 54.483 0.300 . 1 . . . . 80 GLN CA . 11227 1 893 . 1 1 80 80 GLN CB C 13 35.781 0.300 . 1 . . . . 80 GLN CB . 11227 1 894 . 1 1 80 80 GLN CG C 13 35.829 0.300 . 1 . . . . 80 GLN CG . 11227 1 895 . 1 1 80 80 GLN N N 15 122.741 0.300 . 1 . . . . 80 GLN N . 11227 1 896 . 1 1 80 80 GLN NE2 N 15 112.893 0.300 . 1 . . . . 80 GLN NE2 . 11227 1 897 . 1 1 81 81 VAL H H 1 8.815 0.030 . 1 . . . . 81 VAL H . 11227 1 898 . 1 1 81 81 VAL HA H 1 5.246 0.030 . 1 . . . . 81 VAL HA . 11227 1 899 . 1 1 81 81 VAL HB H 1 1.087 0.030 . 1 . . . . 81 VAL HB . 11227 1 900 . 1 1 81 81 VAL HG11 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1 901 . 1 1 81 81 VAL HG12 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1 902 . 1 1 81 81 VAL HG13 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1 903 . 1 1 81 81 VAL HG21 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1 904 . 1 1 81 81 VAL HG22 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1 905 . 1 1 81 81 VAL HG23 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1 906 . 1 1 81 81 VAL C C 13 174.548 0.300 . 1 . . . . 81 VAL C . 11227 1 907 . 1 1 81 81 VAL CA C 13 60.948 0.300 . 1 . . . . 81 VAL CA . 11227 1 908 . 1 1 81 81 VAL CB C 13 35.198 0.300 . 1 . . . . 81 VAL CB . 11227 1 909 . 1 1 81 81 VAL CG1 C 13 20.762 0.300 . 2 . . . . 81 VAL CG1 . 11227 1 910 . 1 1 81 81 VAL CG2 C 13 21.035 0.300 . 2 . . . . 81 VAL CG2 . 11227 1 911 . 1 1 81 81 VAL N N 15 120.372 0.300 . 1 . . . . 81 VAL N . 11227 1 912 . 1 1 82 82 ARG H H 1 9.028 0.030 . 1 . . . . 82 ARG H . 11227 1 913 . 1 1 82 82 ARG HA H 1 5.035 0.030 . 1 . . . . 82 ARG HA . 11227 1 914 . 1 1 82 82 ARG HB2 H 1 1.482 0.030 . 2 . . . . 82 ARG HB2 . 11227 1 915 . 1 1 82 82 ARG HB3 H 1 0.583 0.030 . 2 . . . . 82 ARG HB3 . 11227 1 916 . 1 1 82 82 ARG HD2 H 1 2.425 0.030 . 2 . . . . 82 ARG HD2 . 11227 1 917 . 1 1 82 82 ARG HD3 H 1 0.899 0.030 . 2 . . . . 82 ARG HD3 . 11227 1 918 . 1 1 82 82 ARG HE H 1 6.141 0.030 . 1 . . . . 82 ARG HE . 11227 1 919 . 1 1 82 82 ARG HG2 H 1 1.126 0.030 . 2 . . . . 82 ARG HG2 . 11227 1 920 . 1 1 82 82 ARG HG3 H 1 1.086 0.030 . 2 . . . . 82 ARG HG3 . 11227 1 921 . 1 1 82 82 ARG C C 13 173.228 0.300 . 1 . . . . 82 ARG C . 11227 1 922 . 1 1 82 82 ARG CA C 13 53.427 0.300 . 1 . . . . 82 ARG CA . 11227 1 923 . 1 1 82 82 ARG CB C 13 33.773 0.300 . 1 . . . . 82 ARG CB . 11227 1 924 . 1 1 82 82 ARG CD C 13 43.644 0.300 . 1 . . . . 82 ARG CD . 11227 1 925 . 1 1 82 82 ARG CG C 13 25.208 0.300 . 1 . . . . 82 ARG CG . 11227 1 926 . 1 1 82 82 ARG N N 15 122.706 0.300 . 1 . . . . 82 ARG N . 11227 1 927 . 1 1 82 82 ARG NE N 15 83.726 0.300 . 1 . . . . 82 ARG NE . 11227 1 928 . 1 1 83 83 ALA H H 1 9.562 0.030 . 1 . . . . 83 ALA H . 11227 1 929 . 1 1 83 83 ALA HA H 1 5.045 0.030 . 1 . . . . 83 ALA HA . 11227 1 930 . 1 1 83 83 ALA HB1 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1 931 . 1 1 83 83 ALA HB2 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1 932 . 1 1 83 83 ALA HB3 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1 933 . 1 1 83 83 ALA C C 13 174.341 0.300 . 1 . . . . 83 ALA C . 11227 1 934 . 1 1 83 83 ALA CA C 13 49.986 0.300 . 1 . . . . 83 ALA CA . 11227 1 935 . 1 1 83 83 ALA CB C 13 23.456 0.300 . 1 . . . . 83 ALA CB . 11227 1 936 . 1 1 83 83 ALA N N 15 124.486 0.300 . 1 . . . . 83 ALA N . 11227 1 937 . 1 1 84 84 ARG H H 1 8.667 0.030 . 1 . . . . 84 ARG H . 11227 1 938 . 1 1 84 84 ARG HA H 1 4.549 0.030 . 1 . . . . 84 ARG HA . 11227 1 939 . 1 1 84 84 ARG HB2 H 1 1.709 0.030 . 2 . . . . 84 ARG HB2 . 11227 1 940 . 1 1 84 84 ARG HB3 H 1 0.808 0.030 . 2 . . . . 84 ARG HB3 . 11227 1 941 . 1 1 84 84 ARG HD2 H 1 2.864 0.030 . 2 . . . . 84 ARG HD2 . 11227 1 942 . 1 1 84 84 ARG HD3 H 1 2.051 0.030 . 2 . . . . 84 ARG HD3 . 11227 1 943 . 1 1 84 84 ARG HE H 1 8.843 0.030 . 1 . . . . 84 ARG HE . 11227 1 944 . 1 1 84 84 ARG HG2 H 1 1.095 0.030 . 2 . . . . 84 ARG HG2 . 11227 1 945 . 1 1 84 84 ARG HG3 H 1 0.222 0.030 . 2 . . . . 84 ARG HG3 . 11227 1 946 . 1 1 84 84 ARG C C 13 174.989 0.300 . 1 . . . . 84 ARG C . 11227 1 947 . 1 1 84 84 ARG CA C 13 55.193 0.300 . 1 . . . . 84 ARG CA . 11227 1 948 . 1 1 84 84 ARG CB C 13 34.435 0.300 . 1 . . . . 84 ARG CB . 11227 1 949 . 1 1 84 84 ARG CD C 13 42.583 0.300 . 1 . . . . 84 ARG CD . 11227 1 950 . 1 1 84 84 ARG CG C 13 28.441 0.300 . 1 . . . . 84 ARG CG . 11227 1 951 . 1 1 84 84 ARG N N 15 122.072 0.300 . 1 . . . . 84 ARG N . 11227 1 952 . 1 1 84 84 ARG NE N 15 85.108 0.300 . 1 . . . . 84 ARG NE . 11227 1 953 . 1 1 85 85 SER H H 1 8.476 0.030 . 1 . . . . 85 SER H . 11227 1 954 . 1 1 85 85 SER HA H 1 5.063 0.030 . 1 . . . . 85 SER HA . 11227 1 955 . 1 1 85 85 SER HB2 H 1 4.328 0.030 . 2 . . . . 85 SER HB2 . 11227 1 956 . 1 1 85 85 SER HB3 H 1 3.486 0.030 . 2 . . . . 85 SER HB3 . 11227 1 957 . 1 1 85 85 SER C C 13 175.200 0.300 . 1 . . . . 85 SER C . 11227 1 958 . 1 1 85 85 SER CA C 13 55.847 0.300 . 1 . . . . 85 SER CA . 11227 1 959 . 1 1 85 85 SER CB C 13 67.488 0.300 . 1 . . . . 85 SER CB . 11227 1 960 . 1 1 85 85 SER N N 15 122.839 0.300 . 1 . . . . 85 SER N . 11227 1 961 . 1 1 86 86 GLU H H 1 9.634 0.030 . 1 . . . . 86 GLU H . 11227 1 962 . 1 1 86 86 GLU HA H 1 3.921 0.030 . 1 . . . . 86 GLU HA . 11227 1 963 . 1 1 86 86 GLU HB2 H 1 2.039 0.030 . 1 . . . . 86 GLU HB2 . 11227 1 964 . 1 1 86 86 GLU HB3 H 1 2.039 0.030 . 1 . . . . 86 GLU HB3 . 11227 1 965 . 1 1 86 86 GLU HG2 H 1 2.315 0.030 . 1 . . . . 86 GLU HG2 . 11227 1 966 . 1 1 86 86 GLU HG3 H 1 2.315 0.030 . 1 . . . . 86 GLU HG3 . 11227 1 967 . 1 1 86 86 GLU C C 13 176.835 0.300 . 1 . . . . 86 GLU C . 11227 1 968 . 1 1 86 86 GLU CA C 13 59.560 0.300 . 1 . . . . 86 GLU CA . 11227 1 969 . 1 1 86 86 GLU CB C 13 29.011 0.300 . 1 . . . . 86 GLU CB . 11227 1 970 . 1 1 86 86 GLU CG C 13 36.254 0.300 . 1 . . . . 86 GLU CG . 11227 1 971 . 1 1 86 86 GLU N N 15 121.692 0.300 . 1 . . . . 86 GLU N . 11227 1 972 . 1 1 87 87 ALA H H 1 7.808 0.030 . 1 . . . . 87 ALA H . 11227 1 973 . 1 1 87 87 ALA HA H 1 4.235 0.030 . 1 . . . . 87 ALA HA . 11227 1 974 . 1 1 87 87 ALA HB1 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1 975 . 1 1 87 87 ALA HB2 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1 976 . 1 1 87 87 ALA HB3 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1 977 . 1 1 87 87 ALA C C 13 177.119 0.300 . 1 . . . . 87 ALA C . 11227 1 978 . 1 1 87 87 ALA CA C 13 52.597 0.300 . 1 . . . . 87 ALA CA . 11227 1 979 . 1 1 87 87 ALA CB C 13 19.505 0.300 . 1 . . . . 87 ALA CB . 11227 1 980 . 1 1 87 87 ALA N N 15 118.874 0.300 . 1 . . . . 87 ALA N . 11227 1 981 . 1 1 88 88 GLY H H 1 7.388 0.030 . 1 . . . . 88 GLY H . 11227 1 982 . 1 1 88 88 GLY HA2 H 1 4.526 0.030 . 2 . . . . 88 GLY HA2 . 11227 1 983 . 1 1 88 88 GLY HA3 H 1 3.609 0.030 . 2 . . . . 88 GLY HA3 . 11227 1 984 . 1 1 88 88 GLY C C 13 173.151 0.300 . 1 . . . . 88 GLY C . 11227 1 985 . 1 1 88 88 GLY CA C 13 43.683 0.300 . 1 . . . . 88 GLY CA . 11227 1 986 . 1 1 88 88 GLY N N 15 105.885 0.300 . 1 . . . . 88 GLY N . 11227 1 987 . 1 1 89 89 TYR H H 1 8.540 0.030 . 1 . . . . 89 TYR H . 11227 1 988 . 1 1 89 89 TYR HA H 1 4.966 0.030 . 1 . . . . 89 TYR HA . 11227 1 989 . 1 1 89 89 TYR HB2 H 1 3.163 0.030 . 2 . . . . 89 TYR HB2 . 11227 1 990 . 1 1 89 89 TYR HB3 H 1 2.633 0.030 . 2 . . . . 89 TYR HB3 . 11227 1 991 . 1 1 89 89 TYR HD1 H 1 6.864 0.030 . 1 . . . . 89 TYR HD1 . 11227 1 992 . 1 1 89 89 TYR HD2 H 1 6.864 0.030 . 1 . . . . 89 TYR HD2 . 11227 1 993 . 1 1 89 89 TYR HE1 H 1 6.582 0.030 . 1 . . . . 89 TYR HE1 . 11227 1 994 . 1 1 89 89 TYR HE2 H 1 6.582 0.030 . 1 . . . . 89 TYR HE2 . 11227 1 995 . 1 1 89 89 TYR C C 13 179.382 0.300 . 1 . . . . 89 TYR C . 11227 1 996 . 1 1 89 89 TYR CA C 13 59.659 0.300 . 1 . . . . 89 TYR CA . 11227 1 997 . 1 1 89 89 TYR CB C 13 40.850 0.300 . 1 . . . . 89 TYR CB . 11227 1 998 . 1 1 89 89 TYR CD1 C 13 132.622 0.300 . 1 . . . . 89 TYR CD1 . 11227 1 999 . 1 1 89 89 TYR CD2 C 13 132.622 0.300 . 1 . . . . 89 TYR CD2 . 11227 1 1000 . 1 1 89 89 TYR CE1 C 13 118.499 0.300 . 1 . . . . 89 TYR CE1 . 11227 1 1001 . 1 1 89 89 TYR CE2 C 13 118.499 0.300 . 1 . . . . 89 TYR CE2 . 11227 1 1002 . 1 1 89 89 TYR N N 15 117.227 0.300 . 1 . . . . 89 TYR N . 11227 1 1003 . 1 1 90 90 GLY H H 1 8.930 0.030 . 1 . . . . 90 GLY H . 11227 1 1004 . 1 1 90 90 GLY HA2 H 1 4.189 0.030 . 2 . . . . 90 GLY HA2 . 11227 1 1005 . 1 1 90 90 GLY HA3 H 1 4.410 0.030 . 2 . . . . 90 GLY HA3 . 11227 1 1006 . 1 1 90 90 GLY C C 13 171.909 0.300 . 1 . . . . 90 GLY C . 11227 1 1007 . 1 1 90 90 GLY CA C 13 44.089 0.300 . 1 . . . . 90 GLY CA . 11227 1 1008 . 1 1 90 90 GLY N N 15 110.008 0.300 . 1 . . . . 90 GLY N . 11227 1 1009 . 1 1 91 91 PRO HA H 1 4.494 0.030 . 1 . . . . 91 PRO HA . 11227 1 1010 . 1 1 91 91 PRO HB2 H 1 2.351 0.030 . 2 . . . . 91 PRO HB2 . 11227 1 1011 . 1 1 91 91 PRO HB3 H 1 1.985 0.030 . 2 . . . . 91 PRO HB3 . 11227 1 1012 . 1 1 91 91 PRO HD2 H 1 3.607 0.030 . 1 . . . . 91 PRO HD2 . 11227 1 1013 . 1 1 91 91 PRO HD3 H 1 3.607 0.030 . 1 . . . . 91 PRO HD3 . 11227 1 1014 . 1 1 91 91 PRO HG2 H 1 2.085 0.030 . 2 . . . . 91 PRO HG2 . 11227 1 1015 . 1 1 91 91 PRO HG3 H 1 1.892 0.030 . 2 . . . . 91 PRO HG3 . 11227 1 1016 . 1 1 91 91 PRO C C 13 179.001 0.300 . 1 . . . . 91 PRO C . 11227 1 1017 . 1 1 91 91 PRO CA C 13 62.019 0.300 . 1 . . . . 91 PRO CA . 11227 1 1018 . 1 1 91 91 PRO CB C 13 32.195 0.300 . 1 . . . . 91 PRO CB . 11227 1 1019 . 1 1 91 91 PRO CD C 13 49.214 0.300 . 1 . . . . 91 PRO CD . 11227 1 1020 . 1 1 91 91 PRO CG C 13 26.862 0.300 . 1 . . . . 91 PRO CG . 11227 1 1021 . 1 1 92 92 PHE H H 1 8.602 0.030 . 1 . . . . 92 PHE H . 11227 1 1022 . 1 1 92 92 PHE HA H 1 4.556 0.030 . 1 . . . . 92 PHE HA . 11227 1 1023 . 1 1 92 92 PHE HB2 H 1 3.122 0.030 . 2 . . . . 92 PHE HB2 . 11227 1 1024 . 1 1 92 92 PHE HB3 H 1 2.846 0.030 . 2 . . . . 92 PHE HB3 . 11227 1 1025 . 1 1 92 92 PHE HD1 H 1 7.154 0.030 . 1 . . . . 92 PHE HD1 . 11227 1 1026 . 1 1 92 92 PHE HD2 H 1 7.154 0.030 . 1 . . . . 92 PHE HD2 . 11227 1 1027 . 1 1 92 92 PHE HE1 H 1 7.307 0.030 . 1 . . . . 92 PHE HE1 . 11227 1 1028 . 1 1 92 92 PHE HE2 H 1 7.307 0.030 . 1 . . . . 92 PHE HE2 . 11227 1 1029 . 1 1 92 92 PHE HZ H 1 7.296 0.030 . 1 . . . . 92 PHE HZ . 11227 1 1030 . 1 1 92 92 PHE C C 13 178.040 0.300 . 1 . . . . 92 PHE C . 11227 1 1031 . 1 1 92 92 PHE CA C 13 59.948 0.300 . 1 . . . . 92 PHE CA . 11227 1 1032 . 1 1 92 92 PHE CB C 13 40.355 0.300 . 1 . . . . 92 PHE CB . 11227 1 1033 . 1 1 92 92 PHE CD1 C 13 131.836 0.300 . 1 . . . . 92 PHE CD1 . 11227 1 1034 . 1 1 92 92 PHE CD2 C 13 131.836 0.300 . 1 . . . . 92 PHE CD2 . 11227 1 1035 . 1 1 92 92 PHE CE1 C 13 131.689 0.300 . 1 . . . . 92 PHE CE1 . 11227 1 1036 . 1 1 92 92 PHE CE2 C 13 131.689 0.300 . 1 . . . . 92 PHE CE2 . 11227 1 1037 . 1 1 92 92 PHE CZ C 13 129.538 0.300 . 1 . . . . 92 PHE CZ . 11227 1 1038 . 1 1 92 92 PHE N N 15 118.759 0.300 . 1 . . . . 92 PHE N . 11227 1 1039 . 1 1 93 93 GLY H H 1 8.238 0.030 . 1 . . . . 93 GLY H . 11227 1 1040 . 1 1 93 93 GLY HA2 H 1 4.392 0.030 . 2 . . . . 93 GLY HA2 . 11227 1 1041 . 1 1 93 93 GLY HA3 H 1 4.151 0.030 . 2 . . . . 93 GLY HA3 . 11227 1 1042 . 1 1 93 93 GLY C C 13 173.145 0.300 . 1 . . . . 93 GLY C . 11227 1 1043 . 1 1 93 93 GLY CA C 13 44.458 0.300 . 1 . . . . 93 GLY CA . 11227 1 1044 . 1 1 93 93 GLY N N 15 108.462 0.300 . 1 . . . . 93 GLY N . 11227 1 1045 . 1 1 94 94 GLN H H 1 8.398 0.030 . 1 . . . . 94 GLN H . 11227 1 1046 . 1 1 94 94 GLN HA H 1 4.315 0.030 . 1 . . . . 94 GLN HA . 11227 1 1047 . 1 1 94 94 GLN HB2 H 1 2.115 0.030 . 1 . . . . 94 GLN HB2 . 11227 1 1048 . 1 1 94 94 GLN HB3 H 1 2.115 0.030 . 1 . . . . 94 GLN HB3 . 11227 1 1049 . 1 1 94 94 GLN HE21 H 1 7.598 0.030 . 2 . . . . 94 GLN HE21 . 11227 1 1050 . 1 1 94 94 GLN HE22 H 1 6.950 0.030 . 2 . . . . 94 GLN HE22 . 11227 1 1051 . 1 1 94 94 GLN HG2 H 1 2.459 0.030 . 1 . . . . 94 GLN HG2 . 11227 1 1052 . 1 1 94 94 GLN HG3 H 1 2.459 0.030 . 1 . . . . 94 GLN HG3 . 11227 1 1053 . 1 1 94 94 GLN C C 13 176.520 0.300 . 1 . . . . 94 GLN C . 11227 1 1054 . 1 1 94 94 GLN CA C 13 55.787 0.300 . 1 . . . . 94 GLN CA . 11227 1 1055 . 1 1 94 94 GLN CB C 13 30.198 0.300 . 1 . . . . 94 GLN CB . 11227 1 1056 . 1 1 94 94 GLN CG C 13 33.700 0.300 . 1 . . . . 94 GLN CG . 11227 1 1057 . 1 1 94 94 GLN N N 15 118.843 0.300 . 1 . . . . 94 GLN N . 11227 1 1058 . 1 1 94 94 GLN NE2 N 15 112.519 0.300 . 1 . . . . 94 GLN NE2 . 11227 1 1059 . 1 1 95 95 GLU H H 1 8.870 0.030 . 1 . . . . 95 GLU H . 11227 1 1060 . 1 1 95 95 GLU HA H 1 4.355 0.030 . 1 . . . . 95 GLU HA . 11227 1 1061 . 1 1 95 95 GLU HB2 H 1 1.899 0.030 . 2 . . . . 95 GLU HB2 . 11227 1 1062 . 1 1 95 95 GLU HB3 H 1 1.832 0.030 . 2 . . . . 95 GLU HB3 . 11227 1 1063 . 1 1 95 95 GLU HG2 H 1 2.206 0.030 . 2 . . . . 95 GLU HG2 . 11227 1 1064 . 1 1 95 95 GLU HG3 H 1 2.034 0.030 . 2 . . . . 95 GLU HG3 . 11227 1 1065 . 1 1 95 95 GLU C C 13 175.855 0.300 . 1 . . . . 95 GLU C . 11227 1 1066 . 1 1 95 95 GLU CA C 13 56.777 0.300 . 1 . . . . 95 GLU CA . 11227 1 1067 . 1 1 95 95 GLU CB C 13 30.853 0.300 . 1 . . . . 95 GLU CB . 11227 1 1068 . 1 1 95 95 GLU CG C 13 36.832 0.300 . 1 . . . . 95 GLU CG . 11227 1 1069 . 1 1 95 95 GLU N N 15 123.213 0.300 . 1 . . . . 95 GLU N . 11227 1 1070 . 1 1 96 96 HIS H H 1 9.345 0.030 . 1 . . . . 96 HIS H . 11227 1 1071 . 1 1 96 96 HIS HA H 1 4.794 0.030 . 1 . . . . 96 HIS HA . 11227 1 1072 . 1 1 96 96 HIS HB2 H 1 3.025 0.030 . 2 . . . . 96 HIS HB2 . 11227 1 1073 . 1 1 96 96 HIS HB3 H 1 2.934 0.030 . 2 . . . . 96 HIS HB3 . 11227 1 1074 . 1 1 96 96 HIS HD2 H 1 6.809 0.030 . 1 . . . . 96 HIS HD2 . 11227 1 1075 . 1 1 96 96 HIS HE1 H 1 7.872 0.030 . 1 . . . . 96 HIS HE1 . 11227 1 1076 . 1 1 96 96 HIS C C 13 174.594 0.300 . 1 . . . . 96 HIS C . 11227 1 1077 . 1 1 96 96 HIS CA C 13 56.310 0.300 . 1 . . . . 96 HIS CA . 11227 1 1078 . 1 1 96 96 HIS CB C 13 32.433 0.300 . 1 . . . . 96 HIS CB . 11227 1 1079 . 1 1 96 96 HIS CD2 C 13 123.234 0.300 . 1 . . . . 96 HIS CD2 . 11227 1 1080 . 1 1 96 96 HIS CE1 C 13 138.680 0.300 . 1 . . . . 96 HIS CE1 . 11227 1 1081 . 1 1 96 96 HIS N N 15 125.362 0.300 . 1 . . . . 96 HIS N . 11227 1 1082 . 1 1 97 97 HIS HA H 1 5.070 0.030 . 1 . . . . 97 HIS HA . 11227 1 1083 . 1 1 97 97 HIS HB2 H 1 3.024 0.030 . 2 . . . . 97 HIS HB2 . 11227 1 1084 . 1 1 97 97 HIS HB3 H 1 2.981 0.030 . 2 . . . . 97 HIS HB3 . 11227 1 1085 . 1 1 97 97 HIS HD2 H 1 6.863 0.030 . 1 . . . . 97 HIS HD2 . 11227 1 1086 . 1 1 97 97 HIS HE1 H 1 7.743 0.030 . 1 . . . . 97 HIS HE1 . 11227 1 1087 . 1 1 97 97 HIS CA C 13 55.537 0.300 . 1 . . . . 97 HIS CA . 11227 1 1088 . 1 1 97 97 HIS CB C 13 31.410 0.300 . 1 . . . . 97 HIS CB . 11227 1 1089 . 1 1 97 97 HIS CD2 C 13 120.229 0.300 . 1 . . . . 97 HIS CD2 . 11227 1 1090 . 1 1 97 97 HIS CE1 C 13 137.780 0.300 . 1 . . . . 97 HIS CE1 . 11227 1 1091 . 1 1 98 98 SER H H 1 8.801 0.030 . 1 . . . . 98 SER H . 11227 1 1092 . 1 1 98 98 SER HA H 1 4.568 0.030 . 1 . . . . 98 SER HA . 11227 1 1093 . 1 1 98 98 SER HB2 H 1 3.777 0.030 . 2 . . . . 98 SER HB2 . 11227 1 1094 . 1 1 98 98 SER HB3 H 1 3.694 0.030 . 2 . . . . 98 SER HB3 . 11227 1 1095 . 1 1 98 98 SER C C 13 173.228 0.300 . 1 . . . . 98 SER C . 11227 1 1096 . 1 1 98 98 SER CA C 13 58.121 0.300 . 1 . . . . 98 SER CA . 11227 1 1097 . 1 1 98 98 SER CB C 13 65.594 0.300 . 1 . . . . 98 SER CB . 11227 1 1098 . 1 1 98 98 SER N N 15 119.679 0.300 . 1 . . . . 98 SER N . 11227 1 1099 . 1 1 99 99 GLN H H 1 8.569 0.030 . 1 . . . . 99 GLN H . 11227 1 1100 . 1 1 99 99 GLN HA H 1 5.187 0.030 . 1 . . . . 99 GLN HA . 11227 1 1101 . 1 1 99 99 GLN HB2 H 1 2.105 0.030 . 2 . . . . 99 GLN HB2 . 11227 1 1102 . 1 1 99 99 GLN HB3 H 1 1.948 0.030 . 2 . . . . 99 GLN HB3 . 11227 1 1103 . 1 1 99 99 GLN HE21 H 1 7.439 0.030 . 2 . . . . 99 GLN HE21 . 11227 1 1104 . 1 1 99 99 GLN HE22 H 1 6.807 0.030 . 2 . . . . 99 GLN HE22 . 11227 1 1105 . 1 1 99 99 GLN HG2 H 1 2.460 0.030 . 2 . . . . 99 GLN HG2 . 11227 1 1106 . 1 1 99 99 GLN HG3 H 1 2.258 0.030 . 2 . . . . 99 GLN HG3 . 11227 1 1107 . 1 1 99 99 GLN C C 13 176.486 0.300 . 1 . . . . 99 GLN C . 11227 1 1108 . 1 1 99 99 GLN CA C 13 55.045 0.300 . 1 . . . . 99 GLN CA . 11227 1 1109 . 1 1 99 99 GLN CB C 13 31.479 0.300 . 1 . . . . 99 GLN CB . 11227 1 1110 . 1 1 99 99 GLN CG C 13 33.700 0.300 . 1 . . . . 99 GLN CG . 11227 1 1111 . 1 1 99 99 GLN N N 15 122.123 0.300 . 1 . . . . 99 GLN N . 11227 1 1112 . 1 1 99 99 GLN NE2 N 15 111.885 0.300 . 1 . . . . 99 GLN NE2 . 11227 1 1113 . 1 1 100 100 THR H H 1 8.472 0.030 . 1 . . . . 100 THR H . 11227 1 1114 . 1 1 100 100 THR HA H 1 4.335 0.030 . 1 . . . . 100 THR HA . 11227 1 1115 . 1 1 100 100 THR HB H 1 4.649 0.030 . 1 . . . . 100 THR HB . 11227 1 1116 . 1 1 100 100 THR HG21 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1 1117 . 1 1 100 100 THR HG22 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1 1118 . 1 1 100 100 THR HG23 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1 1119 . 1 1 100 100 THR C C 13 174.696 0.300 . 1 . . . . 100 THR C . 11227 1 1120 . 1 1 100 100 THR CA C 13 61.491 0.300 . 1 . . . . 100 THR CA . 11227 1 1121 . 1 1 100 100 THR CB C 13 69.537 0.300 . 1 . . . . 100 THR CB . 11227 1 1122 . 1 1 100 100 THR CG2 C 13 23.307 0.300 . 1 . . . . 100 THR CG2 . 11227 1 1123 . 1 1 100 100 THR N N 15 114.686 0.300 . 1 . . . . 100 THR N . 11227 1 1124 . 1 1 101 101 GLN HA H 1 4.249 0.030 . 1 . . . . 101 GLN HA . 11227 1 1125 . 1 1 101 101 GLN HB2 H 1 2.075 0.030 . 2 . . . . 101 GLN HB2 . 11227 1 1126 . 1 1 101 101 GLN HB3 H 1 1.658 0.030 . 2 . . . . 101 GLN HB3 . 11227 1 1127 . 1 1 101 101 GLN HE21 H 1 7.502 0.030 . 2 . . . . 101 GLN HE21 . 11227 1 1128 . 1 1 101 101 GLN HE22 H 1 6.811 0.030 . 2 . . . . 101 GLN HE22 . 11227 1 1129 . 1 1 101 101 GLN HG2 H 1 2.337 0.030 . 1 . . . . 101 GLN HG2 . 11227 1 1130 . 1 1 101 101 GLN HG3 H 1 2.337 0.030 . 1 . . . . 101 GLN HG3 . 11227 1 1131 . 1 1 101 101 GLN C C 13 175.607 0.300 . 1 . . . . 101 GLN C . 11227 1 1132 . 1 1 101 101 GLN CA C 13 55.847 0.300 . 1 . . . . 101 GLN CA . 11227 1 1133 . 1 1 101 101 GLN CB C 13 30.035 0.300 . 1 . . . . 101 GLN CB . 11227 1 1134 . 1 1 101 101 GLN CG C 13 33.698 0.300 . 1 . . . . 101 GLN CG . 11227 1 1135 . 1 1 101 101 GLN NE2 N 15 112.203 0.300 . 1 . . . . 101 GLN NE2 . 11227 1 1136 . 1 1 102 102 LEU H H 1 8.321 0.030 . 1 . . . . 102 LEU H . 11227 1 1137 . 1 1 102 102 LEU HA H 1 4.297 0.030 . 1 . . . . 102 LEU HA . 11227 1 1138 . 1 1 102 102 LEU HB2 H 1 1.626 0.030 . 1 . . . . 102 LEU HB2 . 11227 1 1139 . 1 1 102 102 LEU HB3 H 1 1.626 0.030 . 1 . . . . 102 LEU HB3 . 11227 1 1140 . 1 1 102 102 LEU HD11 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1 1141 . 1 1 102 102 LEU HD12 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1 1142 . 1 1 102 102 LEU HD13 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1 1143 . 1 1 102 102 LEU HD21 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1 1144 . 1 1 102 102 LEU HD22 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1 1145 . 1 1 102 102 LEU HD23 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1 1146 . 1 1 102 102 LEU HG H 1 1.634 0.030 . 1 . . . . 102 LEU HG . 11227 1 1147 . 1 1 102 102 LEU C C 13 177.067 0.300 . 1 . . . . 102 LEU C . 11227 1 1148 . 1 1 102 102 LEU CA C 13 55.577 0.300 . 1 . . . . 102 LEU CA . 11227 1 1149 . 1 1 102 102 LEU CB C 13 42.851 0.300 . 1 . . . . 102 LEU CB . 11227 1 1150 . 1 1 102 102 LEU CD1 C 13 24.757 0.300 . 2 . . . . 102 LEU CD1 . 11227 1 1151 . 1 1 102 102 LEU CD2 C 13 23.935 0.300 . 2 . . . . 102 LEU CD2 . 11227 1 1152 . 1 1 102 102 LEU CG C 13 27.162 0.300 . 1 . . . . 102 LEU CG . 11227 1 1153 . 1 1 102 102 LEU N N 15 122.170 0.300 . 1 . . . . 102 LEU N . 11227 1 1154 . 1 1 103 103 ASP H H 1 8.241 0.030 . 1 . . . . 103 ASP H . 11227 1 1155 . 1 1 103 103 ASP HA H 1 4.665 0.030 . 1 . . . . 103 ASP HA . 11227 1 1156 . 1 1 103 103 ASP HB2 H 1 2.730 0.030 . 2 . . . . 103 ASP HB2 . 11227 1 1157 . 1 1 103 103 ASP HB3 H 1 2.645 0.030 . 2 . . . . 103 ASP HB3 . 11227 1 1158 . 1 1 103 103 ASP C C 13 175.881 0.300 . 1 . . . . 103 ASP C . 11227 1 1159 . 1 1 103 103 ASP CA C 13 54.070 0.300 . 1 . . . . 103 ASP CA . 11227 1 1160 . 1 1 103 103 ASP CB C 13 41.821 0.300 . 1 . . . . 103 ASP CB . 11227 1 1161 . 1 1 103 103 ASP N N 15 119.859 0.300 . 1 . . . . 103 ASP N . 11227 1 1162 . 1 1 104 104 SER H H 1 8.338 0.030 . 1 . . . . 104 SER H . 11227 1 1163 . 1 1 104 104 SER HA H 1 4.478 0.030 . 1 . . . . 104 SER HA . 11227 1 1164 . 1 1 104 104 SER HB2 H 1 3.915 0.030 . 2 . . . . 104 SER HB2 . 11227 1 1165 . 1 1 104 104 SER HB3 H 1 3.879 0.030 . 2 . . . . 104 SER HB3 . 11227 1 1166 . 1 1 104 104 SER C C 13 174.685 0.300 . 1 . . . . 104 SER C . 11227 1 1167 . 1 1 104 104 SER CA C 13 58.319 0.300 . 1 . . . . 104 SER CA . 11227 1 1168 . 1 1 104 104 SER CB C 13 64.072 0.300 . 1 . . . . 104 SER CB . 11227 1 1169 . 1 1 104 104 SER N N 15 115.764 0.300 . 1 . . . . 104 SER N . 11227 1 1170 . 1 1 105 105 GLY H H 1 8.322 0.030 . 1 . . . . 105 GLY H . 11227 1 1171 . 1 1 105 105 GLY HA2 H 1 4.138 0.030 . 1 . . . . 105 GLY HA2 . 11227 1 1172 . 1 1 105 105 GLY HA3 H 1 4.138 0.030 . 1 . . . . 105 GLY HA3 . 11227 1 1173 . 1 1 105 105 GLY C C 13 171.909 0.300 . 1 . . . . 105 GLY C . 11227 1 1174 . 1 1 105 105 GLY CA C 13 44.677 0.300 . 1 . . . . 105 GLY CA . 11227 1 1175 . 1 1 105 105 GLY N N 15 110.796 0.300 . 1 . . . . 105 GLY N . 11227 1 1176 . 1 1 106 106 PRO HA H 1 4.492 0.030 . 1 . . . . 106 PRO HA . 11227 1 1177 . 1 1 106 106 PRO HB2 H 1 2.307 0.030 . 2 . . . . 106 PRO HB2 . 11227 1 1178 . 1 1 106 106 PRO HB3 H 1 2.003 0.030 . 2 . . . . 106 PRO HB3 . 11227 1 1179 . 1 1 106 106 PRO HD2 H 1 3.643 0.030 . 1 . . . . 106 PRO HD2 . 11227 1 1180 . 1 1 106 106 PRO HD3 H 1 3.643 0.030 . 1 . . . . 106 PRO HD3 . 11227 1 1181 . 1 1 106 106 PRO HG2 H 1 2.055 0.030 . 2 . . . . 106 PRO HG2 . 11227 1 1182 . 1 1 106 106 PRO HG3 H 1 1.988 0.030 . 2 . . . . 106 PRO HG3 . 11227 1 1183 . 1 1 106 106 PRO C C 13 177.421 0.300 . 1 . . . . 106 PRO C . 11227 1 1184 . 1 1 106 106 PRO CA C 13 63.216 0.300 . 1 . . . . 106 PRO CA . 11227 1 1185 . 1 1 106 106 PRO CB C 13 32.185 0.300 . 1 . . . . 106 PRO CB . 11227 1 1186 . 1 1 106 106 PRO CD C 13 49.809 0.300 . 1 . . . . 106 PRO CD . 11227 1 1187 . 1 1 106 106 PRO CG C 13 27.304 0.300 . 1 . . . . 106 PRO CG . 11227 1 stop_ save_