data_25024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25024 _Entry.Title ; 3D structure of RP domain of MiSp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-16 _Entry.Accession_date 2014-06-16 _Entry.Last_release_date 2015-06-15 _Entry.Original_release_date 2015-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 Daiwen Yang . . . 25024 2 Zhenwei Gao . . . 25024 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25024 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25024 Protein . 25024 'Repetitive domain' . 25024 'Spider silk' . 25024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 25024 '15N chemical shifts' 112 25024 '1H chemical shifts' 263 25024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-15 . original BMRB . 25024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQA 'BMRB Entry Tracking System' 25024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25024 _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 ; 3D structure of RP domain of MiSp ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Daiwen Gao . . . 25024 1 2 Daiwen Yang . . . 25024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25024 _Assembly.ID 1 _Assembly.Name 'RP domain of MiSp' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RP domain of MiSp' 1 $entity A . yes native no no . . . 25024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNAFAQSLSSNLLSSGDFVQ MISSTTSTDQAVSVATSVAQ NVGNQLGLDANAMNSLLGAV SGYVSTLGNAISDASAYANA ISSAIGNVLANSGSISESTA SSAASSAASSVTTTLTSYGP AVFYA ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12115.084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MQA . "3d Structure Of Rp Domain Of Misp" . . . . . 100.00 148 100.00 100.00 8.04e-74 . . . . 25024 1 2 no GB ABC72645 . "minor ampullate fibroin 1 [Nephila antipodiana]" . . . . . 100.00 356 100.00 100.00 4.35e-72 . . . . 25024 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 17 GLY . 25024 1 2 18 ASN . 25024 1 3 19 ALA . 25024 1 4 20 PHE . 25024 1 5 21 ALA . 25024 1 6 22 GLN . 25024 1 7 23 SER . 25024 1 8 24 LEU . 25024 1 9 25 SER . 25024 1 10 26 SER . 25024 1 11 27 ASN . 25024 1 12 28 LEU . 25024 1 13 29 LEU . 25024 1 14 30 SER . 25024 1 15 31 SER . 25024 1 16 32 GLY . 25024 1 17 33 ASP . 25024 1 18 34 PHE . 25024 1 19 35 VAL . 25024 1 20 36 GLN . 25024 1 21 37 MET . 25024 1 22 38 ILE . 25024 1 23 39 SER . 25024 1 24 40 SER . 25024 1 25 41 THR . 25024 1 26 42 THR . 25024 1 27 43 SER . 25024 1 28 44 THR . 25024 1 29 45 ASP . 25024 1 30 46 GLN . 25024 1 31 47 ALA . 25024 1 32 48 VAL . 25024 1 33 49 SER . 25024 1 34 50 VAL . 25024 1 35 51 ALA . 25024 1 36 52 THR . 25024 1 37 53 SER . 25024 1 38 54 VAL . 25024 1 39 55 ALA . 25024 1 40 56 GLN . 25024 1 41 57 ASN . 25024 1 42 58 VAL . 25024 1 43 59 GLY . 25024 1 44 60 ASN . 25024 1 45 61 GLN . 25024 1 46 62 LEU . 25024 1 47 63 GLY . 25024 1 48 64 LEU . 25024 1 49 65 ASP . 25024 1 50 66 ALA . 25024 1 51 67 ASN . 25024 1 52 68 ALA . 25024 1 53 69 MET . 25024 1 54 70 ASN . 25024 1 55 71 SER . 25024 1 56 72 LEU . 25024 1 57 73 LEU . 25024 1 58 74 GLY . 25024 1 59 75 ALA . 25024 1 60 76 VAL . 25024 1 61 77 SER . 25024 1 62 78 GLY . 25024 1 63 79 TYR . 25024 1 64 80 VAL . 25024 1 65 81 SER . 25024 1 66 82 THR . 25024 1 67 83 LEU . 25024 1 68 84 GLY . 25024 1 69 85 ASN . 25024 1 70 86 ALA . 25024 1 71 87 ILE . 25024 1 72 88 SER . 25024 1 73 89 ASP . 25024 1 74 90 ALA . 25024 1 75 91 SER . 25024 1 76 92 ALA . 25024 1 77 93 TYR . 25024 1 78 94 ALA . 25024 1 79 95 ASN . 25024 1 80 96 ALA . 25024 1 81 97 ILE . 25024 1 82 98 SER . 25024 1 83 99 SER . 25024 1 84 100 ALA . 25024 1 85 101 ILE . 25024 1 86 102 GLY . 25024 1 87 103 ASN . 25024 1 88 104 VAL . 25024 1 89 105 LEU . 25024 1 90 106 ALA . 25024 1 91 107 ASN . 25024 1 92 108 SER . 25024 1 93 109 GLY . 25024 1 94 110 SER . 25024 1 95 111 ILE . 25024 1 96 112 SER . 25024 1 97 113 GLU . 25024 1 98 114 SER . 25024 1 99 115 THR . 25024 1 100 116 ALA . 25024 1 101 117 SER . 25024 1 102 118 SER . 25024 1 103 119 ALA . 25024 1 104 120 ALA . 25024 1 105 121 SER . 25024 1 106 122 SER . 25024 1 107 123 ALA . 25024 1 108 124 ALA . 25024 1 109 125 SER . 25024 1 110 126 SER . 25024 1 111 127 VAL . 25024 1 112 128 THR . 25024 1 113 129 THR . 25024 1 114 130 THR . 25024 1 115 131 LEU . 25024 1 116 132 THR . 25024 1 117 133 SER . 25024 1 118 134 TYR . 25024 1 119 135 GLY . 25024 1 120 136 PRO . 25024 1 121 137 ALA . 25024 1 122 138 VAL . 25024 1 123 139 PHE . 25024 1 124 140 TYR . 25024 1 125 141 ALA . 25024 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 25024 1 . ASN 2 2 25024 1 . ALA 3 3 25024 1 . PHE 4 4 25024 1 . ALA 5 5 25024 1 . GLN 6 6 25024 1 . SER 7 7 25024 1 . LEU 8 8 25024 1 . SER 9 9 25024 1 . SER 10 10 25024 1 . ASN 11 11 25024 1 . LEU 12 12 25024 1 . LEU 13 13 25024 1 . SER 14 14 25024 1 . SER 15 15 25024 1 . GLY 16 16 25024 1 . ASP 17 17 25024 1 . PHE 18 18 25024 1 . VAL 19 19 25024 1 . GLN 20 20 25024 1 . MET 21 21 25024 1 . ILE 22 22 25024 1 . SER 23 23 25024 1 . SER 24 24 25024 1 . THR 25 25 25024 1 . THR 26 26 25024 1 . SER 27 27 25024 1 . THR 28 28 25024 1 . ASP 29 29 25024 1 . GLN 30 30 25024 1 . ALA 31 31 25024 1 . VAL 32 32 25024 1 . SER 33 33 25024 1 . VAL 34 34 25024 1 . ALA 35 35 25024 1 . THR 36 36 25024 1 . SER 37 37 25024 1 . VAL 38 38 25024 1 . ALA 39 39 25024 1 . GLN 40 40 25024 1 . ASN 41 41 25024 1 . VAL 42 42 25024 1 . GLY 43 43 25024 1 . ASN 44 44 25024 1 . GLN 45 45 25024 1 . LEU 46 46 25024 1 . GLY 47 47 25024 1 . LEU 48 48 25024 1 . ASP 49 49 25024 1 . ALA 50 50 25024 1 . ASN 51 51 25024 1 . ALA 52 52 25024 1 . MET 53 53 25024 1 . ASN 54 54 25024 1 . SER 55 55 25024 1 . LEU 56 56 25024 1 . LEU 57 57 25024 1 . GLY 58 58 25024 1 . ALA 59 59 25024 1 . VAL 60 60 25024 1 . SER 61 61 25024 1 . GLY 62 62 25024 1 . TYR 63 63 25024 1 . VAL 64 64 25024 1 . SER 65 65 25024 1 . THR 66 66 25024 1 . LEU 67 67 25024 1 . GLY 68 68 25024 1 . ASN 69 69 25024 1 . ALA 70 70 25024 1 . ILE 71 71 25024 1 . SER 72 72 25024 1 . ASP 73 73 25024 1 . ALA 74 74 25024 1 . SER 75 75 25024 1 . ALA 76 76 25024 1 . TYR 77 77 25024 1 . ALA 78 78 25024 1 . ASN 79 79 25024 1 . ALA 80 80 25024 1 . ILE 81 81 25024 1 . SER 82 82 25024 1 . SER 83 83 25024 1 . ALA 84 84 25024 1 . ILE 85 85 25024 1 . GLY 86 86 25024 1 . ASN 87 87 25024 1 . VAL 88 88 25024 1 . LEU 89 89 25024 1 . ALA 90 90 25024 1 . ASN 91 91 25024 1 . SER 92 92 25024 1 . GLY 93 93 25024 1 . SER 94 94 25024 1 . ILE 95 95 25024 1 . SER 96 96 25024 1 . GLU 97 97 25024 1 . SER 98 98 25024 1 . THR 99 99 25024 1 . ALA 100 100 25024 1 . SER 101 101 25024 1 . SER 102 102 25024 1 . ALA 103 103 25024 1 . ALA 104 104 25024 1 . SER 105 105 25024 1 . SER 106 106 25024 1 . ALA 107 107 25024 1 . ALA 108 108 25024 1 . SER 109 109 25024 1 . SER 110 110 25024 1 . VAL 111 111 25024 1 . THR 112 112 25024 1 . THR 113 113 25024 1 . THR 114 114 25024 1 . LEU 115 115 25024 1 . THR 116 116 25024 1 . SER 117 117 25024 1 . TYR 118 118 25024 1 . GLY 119 119 25024 1 . PRO 120 120 25024 1 . ALA 121 121 25024 1 . VAL 122 122 25024 1 . PHE 123 123 25024 1 . TYR 124 124 25024 1 . ALA 125 125 25024 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 25024 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25024 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 25024 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET-M . . . 25024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 25024 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25024 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25024 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 25024 1 pH 7 . pH 25024 1 pressure 1 . atm 25024 1 temperature 302 . K 25024 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25024 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25024 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25024 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25024 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 25024 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 25024 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 25024 1 N 15 TMS nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 25024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25024 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.101 0.03 . . . . . A 17 GLY H . 25024 1 2 . 1 1 1 1 GLY HA2 H 1 3.439895 0.03 . . . . . A 17 GLY HA2 . 25024 1 3 . 1 1 1 1 GLY HA3 H 1 3.692 0.03 . . . . . A 17 GLY HA3 . 25024 1 4 . 1 1 1 1 GLY CA C 13 47.668 0.3 . . . . . A 17 GLY CA . 25024 1 5 . 1 1 1 1 GLY N N 15 105.44 0.3 . . . . . A 17 GLY N . 25024 1 6 . 1 1 2 2 ASN H H 1 8.357 0.03 . . . . . A 18 ASN H . 25024 1 7 . 1 1 2 2 ASN HA H 1 4.538 0.03 . . . . . A 18 ASN HA . 25024 1 8 . 1 1 2 2 ASN HB2 H 1 2.840338 0.03 . . . . . A 18 ASN HB2 . 25024 1 9 . 1 1 2 2 ASN HB3 H 1 2.840338 0.03 . . . . . A 18 ASN HB3 . 25024 1 10 . 1 1 2 2 ASN CA C 13 55.897 0.3 . . . . . A 18 ASN CA . 25024 1 11 . 1 1 2 2 ASN CB C 13 38.400177 0.3 . . . . . A 18 ASN CB . 25024 1 12 . 1 1 2 2 ASN N N 15 119.876 0.3 . . . . . A 18 ASN N . 25024 1 13 . 1 1 3 3 ALA H H 1 8.073 0.03 . . . . . A 19 ALA H . 25024 1 14 . 1 1 3 3 ALA HA H 1 4.175 0.03 . . . . . A 19 ALA HA . 25024 1 15 . 1 1 3 3 ALA HB1 H 1 1.505189 0.03 . . . . . A 19 ALA HB1 . 25024 1 16 . 1 1 3 3 ALA HB2 H 1 1.505189 0.03 . . . . . A 19 ALA HB2 . 25024 1 17 . 1 1 3 3 ALA HB3 H 1 1.505189 0.03 . . . . . A 19 ALA HB3 . 25024 1 18 . 1 1 3 3 ALA CA C 13 55.169 0.3 . . . . . A 19 ALA CA . 25024 1 19 . 1 1 3 3 ALA CB C 13 18.405087 0.3 . . . . . A 19 ALA CB . 25024 1 20 . 1 1 3 3 ALA N N 15 123.24 0.3 . . . . . A 19 ALA N . 25024 1 21 . 1 1 4 4 PHE H H 1 8.336 0.03 . . . . . A 20 PHE H . 25024 1 22 . 1 1 4 4 PHE HA H 1 3.838 0.03 . . . . . A 20 PHE HA . 25024 1 23 . 1 1 4 4 PHE HB2 H 1 3.04187 0.03 . . . . . A 20 PHE HB2 . 25024 1 24 . 1 1 4 4 PHE HB3 H 1 3.228287 0.03 . . . . . A 20 PHE HB3 . 25024 1 25 . 1 1 4 4 PHE CA C 13 61.18 0.3 . . . . . A 20 PHE CA . 25024 1 26 . 1 1 4 4 PHE CB C 13 39.876137 0.3 . . . . . A 20 PHE CB . 25024 1 27 . 1 1 4 4 PHE N N 15 118.846269 0.3 . . . . . A 20 PHE N . 25024 1 28 . 1 1 5 5 ALA H H 1 8.695 0.03 . . . . . A 21 ALA H . 25024 1 29 . 1 1 5 5 ALA HA H 1 3.808 0.03 . . . . . A 21 ALA HA . 25024 1 30 . 1 1 5 5 ALA HB1 H 1 1.525342 0.03 . . . . . A 21 ALA HB1 . 25024 1 31 . 1 1 5 5 ALA HB2 H 1 1.525342 0.03 . . . . . A 21 ALA HB2 . 25024 1 32 . 1 1 5 5 ALA HB3 H 1 1.525342 0.03 . . . . . A 21 ALA HB3 . 25024 1 33 . 1 1 5 5 ALA CA C 13 55.446 0.3 . . . . . A 21 ALA CA . 25024 1 34 . 1 1 5 5 ALA CB C 13 18.962053 0.3 . . . . . A 21 ALA CB . 25024 1 35 . 1 1 5 5 ALA N N 15 121.797 0.3 . . . . . A 21 ALA N . 25024 1 36 . 1 1 6 6 GLN H H 1 8.308 0.03 . . . . . A 22 GLN H . 25024 1 37 . 1 1 6 6 GLN HA H 1 3.989 0.03 . . . . . A 22 GLN HA . 25024 1 38 . 1 1 6 6 GLN HB2 H 1 2.079555 0.03 . . . . . A 22 GLN HB2 . 25024 1 39 . 1 1 6 6 GLN HB3 H 1 2.079555 0.03 . . . . . A 22 GLN HB3 . 25024 1 40 . 1 1 6 6 GLN HG2 H 1 2.447351 0.03 . . . . . A 22 GLN HG2 . 25024 1 41 . 1 1 6 6 GLN HG3 H 1 2.447351 0.03 . . . . . A 22 GLN HG3 . 25024 1 42 . 1 1 6 6 GLN CA C 13 58.893 0.3 . . . . . A 22 GLN CA . 25024 1 43 . 1 1 6 6 GLN CB C 13 28.514025 0.3 . . . . . A 22 GLN CB . 25024 1 44 . 1 1 6 6 GLN CG C 13 34.000143 0.3 . . . . . A 22 GLN CG . 25024 1 45 . 1 1 6 6 GLN N N 15 117.102 0.3 . . . . . A 22 GLN N . 25024 1 46 . 1 1 7 7 SER H H 1 7.383 0.03 . . . . . A 23 SER H . 25024 1 47 . 1 1 7 7 SER HA H 1 4.191 0.03 . . . . . A 23 SER HA . 25024 1 48 . 1 1 7 7 SER HB2 H 1 3.75227 0.03 . . . . . A 23 SER HB2 . 25024 1 49 . 1 1 7 7 SER HB3 H 1 3.75227 0.03 . . . . . A 23 SER HB3 . 25024 1 50 . 1 1 7 7 SER CA C 13 61.284 0.3 . . . . . A 23 SER CA . 25024 1 51 . 1 1 7 7 SER CB C 13 63.268721 0.3 . . . . . A 23 SER CB . 25024 1 52 . 1 1 7 7 SER N N 15 114.221 0.3 . . . . . A 23 SER N . 25024 1 53 . 1 1 8 8 LEU H H 1 8.772 0.03 . . . . . A 24 LEU H . 25024 1 54 . 1 1 8 8 LEU HA H 1 3.707 0.03 . . . . . A 24 LEU HA . 25024 1 55 . 1 1 8 8 LEU HB2 H 1 1.636185 0.03 . . . . . A 24 LEU HB2 . 25024 1 56 . 1 1 8 8 LEU HB3 H 1 1.636185 0.03 . . . . . A 24 LEU HB3 . 25024 1 57 . 1 1 8 8 LEU CA C 13 58.824 0.3 . . . . . A 24 LEU CA . 25024 1 58 . 1 1 8 8 LEU CB C 13 40.767283 0.3 . . . . . A 24 LEU CB . 25024 1 59 . 1 1 8 8 LEU N N 15 122.749 0.3 . . . . . A 24 LEU N . 25024 1 60 . 1 1 9 9 SER H H 1 8.253 0.03 . . . . . A 25 SER H . 25024 1 61 . 1 1 9 9 SER HA H 1 3.858 0.03 . . . . . A 25 SER HA . 25024 1 62 . 1 1 9 9 SER CA C 13 62.722 0.3 . . . . . A 25 SER CA . 25024 1 63 . 1 1 9 9 SER CB C 13 62.711755 0.3 . . . . . A 25 SER CB . 25024 1 64 . 1 1 9 9 SER N N 15 113.278 0.3 . . . . . A 25 SER N . 25024 1 65 . 1 1 10 10 SER H H 1 7.56 0.03 . . . . . A 26 SER H . 25024 1 66 . 1 1 10 10 SER HA H 1 4.06 0.03 . . . . . A 26 SER HA . 25024 1 67 . 1 1 10 10 SER HB2 H 1 3.903418 0.03 . . . . . A 26 SER HB2 . 25024 1 68 . 1 1 10 10 SER HB3 H 1 3.903418 0.03 . . . . . A 26 SER HB3 . 25024 1 69 . 1 1 10 10 SER CA C 13 61.769 0.3 . . . . . A 26 SER CA . 25024 1 70 . 1 1 10 10 SER CB C 13 62.96239 0.3 . . . . . A 26 SER CB . 25024 1 71 . 1 1 10 10 SER N N 15 113.995 0.3 . . . . . A 26 SER N . 25024 1 72 . 1 1 11 11 ASN H H 1 7.757 0.03 . . . . . A 27 ASN H . 25024 1 73 . 1 1 11 11 ASN HA H 1 4.367 0.03 . . . . . A 27 ASN HA . 25024 1 74 . 1 1 11 11 ASN HB2 H 1 2.608576 0.03 . . . . . A 27 ASN HB2 . 25024 1 75 . 1 1 11 11 ASN HB3 H 1 2.608576 0.03 . . . . . A 27 ASN HB3 . 25024 1 76 . 1 1 11 11 ASN CA C 13 56.607 0.3 . . . . . A 27 ASN CA . 25024 1 77 . 1 1 11 11 ASN CB C 13 39.653351 0.3 . . . . . A 27 ASN CB . 25024 1 78 . 1 1 11 11 ASN N N 15 119.06 0.3 . . . . . A 27 ASN N . 25024 1 79 . 1 1 12 12 LEU H H 1 8.397 0.03 . . . . . A 28 LEU H . 25024 1 80 . 1 1 12 12 LEU HA H 1 3.667 0.03 . . . . . A 28 LEU HA . 25024 1 81 . 1 1 12 12 LEU HG H 1 1.626108 0.03 . . . . . A 28 LEU HG . 25024 1 82 . 1 1 12 12 LEU CA C 13 58.339 0.3 . . . . . A 28 LEU CA . 25024 1 83 . 1 1 12 12 LEU CG C 13 25.645649 0.3 . . . . . A 28 LEU CG . 25024 1 84 . 1 1 12 12 LEU N N 15 121.053 0.3 . . . . . A 28 LEU N . 25024 1 85 . 1 1 13 13 LEU H H 1 7.971 0.03 . . . . . A 29 LEU H . 25024 1 86 . 1 1 13 13 LEU HA H 1 4.075 0.03 . . . . . A 29 LEU HA . 25024 1 87 . 1 1 13 13 LEU HB2 H 1 1.76718 0.03 . . . . . A 29 LEU HB2 . 25024 1 88 . 1 1 13 13 LEU HB3 H 1 1.479998 0.03 . . . . . A 29 LEU HB3 . 25024 1 89 . 1 1 13 13 LEU HG H 1 1.696644 0.03 . . . . . A 29 LEU HG . 25024 1 90 . 1 1 13 13 LEU HD11 H 1 0.860287 0.03 . . . . . A 29 LEU HD11 . 25024 1 91 . 1 1 13 13 LEU HD12 H 1 0.860287 0.03 . . . . . A 29 LEU HD12 . 25024 1 92 . 1 1 13 13 LEU HD13 H 1 0.860287 0.03 . . . . . A 29 LEU HD13 . 25024 1 93 . 1 1 13 13 LEU CA C 13 56.468 0.3 . . . . . A 29 LEU CA . 25024 1 94 . 1 1 13 13 LEU CB C 13 41.459805 0.3 . . . . . A 29 LEU CB . 25024 1 95 . 1 1 13 13 LEU CG C 13 27.233003 0.3 . . . . . A 29 LEU CG . 25024 1 96 . 1 1 13 13 LEU CD1 C 13 25.367166 0.3 . . . . . A 29 LEU CD1 . 25024 1 97 . 1 1 13 13 LEU N N 15 114.451 0.3 . . . . . A 29 LEU N . 25024 1 98 . 1 1 14 14 SER H H 1 7.306 0.03 . . . . . A 30 SER H . 25024 1 99 . 1 1 14 14 SER HA H 1 4.402 0.03 . . . . . A 30 SER HA . 25024 1 100 . 1 1 14 14 SER HB2 H 1 3.999146 0.03 . . . . . A 30 SER HB2 . 25024 1 101 . 1 1 14 14 SER HB3 H 1 3.999146 0.03 . . . . . A 30 SER HB3 . 25024 1 102 . 1 1 14 14 SER CA C 13 59.413 0.3 . . . . . A 30 SER CA . 25024 1 103 . 1 1 14 14 SER CB C 13 63.937081 0.3 . . . . . A 30 SER CB . 25024 1 104 . 1 1 14 14 SER N N 15 112.755 0.3 . . . . . A 30 SER N . 25024 1 105 . 1 1 15 15 SER H H 1 7.495 0.03 . . . . . A 31 SER H . 25024 1 106 . 1 1 15 15 SER HA H 1 4.78 0.03 . . . . . A 31 SER HA . 25024 1 107 . 1 1 15 15 SER HB2 H 1 4.361904 0.03 . . . . . A 31 SER HB2 . 25024 1 108 . 1 1 15 15 SER HB3 H 1 3.953801 0.03 . . . . . A 31 SER HB3 . 25024 1 109 . 1 1 15 15 SER CA C 13 56.052 0.3 . . . . . A 31 SER CA . 25024 1 110 . 1 1 15 15 SER CB C 13 62.711755 0.3 . . . . . A 31 SER CB . 25024 1 111 . 1 1 15 15 SER N N 15 116.728 0.3 . . . . . A 31 SER N . 25024 1 112 . 1 1 16 16 GLY HA2 H 1 3.954 0.03 . . . . . A 32 GLY HA2 . 25024 1 113 . 1 1 16 16 GLY CA C 13 47.425 0.3 . . . . . A 32 GLY CA . 25024 1 114 . 1 1 17 17 ASP H H 1 8.068 0.03 . . . . . A 33 ASP H . 25024 1 115 . 1 1 17 17 ASP HA H 1 4.417 0.03 . . . . . A 33 ASP HA . 25024 1 116 . 1 1 17 17 ASP CA C 13 57.282 0.3 . . . . . A 33 ASP CA . 25024 1 117 . 1 1 17 17 ASP N N 15 119.623 0.3 . . . . . A 33 ASP N . 25024 1 118 . 1 1 18 18 PHE H H 1 8.219 0.03 . . . . . A 34 PHE H . 25024 1 119 . 1 1 18 18 PHE HA H 1 4.362 0.03 . . . . . A 34 PHE HA . 25024 1 120 . 1 1 18 18 PHE CA C 13 62.583 0.3 . . . . . A 34 PHE CA . 25024 1 121 . 1 1 18 18 PHE N N 15 123.389 0.3 . . . . . A 34 PHE N . 25024 1 122 . 1 1 19 19 VAL H H 1 8.232 0.03 . . . . . A 35 VAL H . 25024 1 123 . 1 1 19 19 VAL HA H 1 3.299 0.03 . . . . . A 35 VAL HA . 25024 1 124 . 1 1 19 19 VAL CA C 13 67.451 0.3 . . . . . A 35 VAL CA . 25024 1 125 . 1 1 19 19 VAL N N 15 118.712 0.3 . . . . . A 35 VAL N . 25024 1 126 . 1 1 20 20 GLN H H 1 8.371 0.03 . . . . . A 36 GLN H . 25024 1 127 . 1 1 20 20 GLN HA H 1 3.984 0.03 . . . . . A 36 GLN HA . 25024 1 128 . 1 1 20 20 GLN CA C 13 59.067 0.3 . . . . . A 36 GLN CA . 25024 1 129 . 1 1 20 20 GLN N N 15 120.137 0.3 . . . . . A 36 GLN N . 25024 1 130 . 1 1 21 21 MET H H 1 7.682 0.03 . . . . . A 37 MET H . 25024 1 131 . 1 1 21 21 MET HA H 1 3.999 0.03 . . . . . A 37 MET HA . 25024 1 132 . 1 1 21 21 MET CA C 13 59.188 0.3 . . . . . A 37 MET CA . 25024 1 133 . 1 1 21 21 MET N N 15 119.948 0.3 . . . . . A 37 MET N . 25024 1 134 . 1 1 22 22 ILE H H 1 7.772 0.03 . . . . . A 38 ILE H . 25024 1 135 . 1 1 22 22 ILE HA H 1 3.641 0.03 . . . . . A 38 ILE HA . 25024 1 136 . 1 1 22 22 ILE CA C 13 62.843 0.3 . . . . . A 38 ILE CA . 25024 1 137 . 1 1 22 22 ILE N N 15 116.277 0.3 . . . . . A 38 ILE N . 25024 1 138 . 1 1 23 23 SER H H 1 8.037 0.03 . . . . . A 39 SER H . 25024 1 139 . 1 1 23 23 SER HA H 1 4.619 0.03 . . . . . A 39 SER HA . 25024 1 140 . 1 1 23 23 SER CA C 13 60.747 0.3 . . . . . A 39 SER CA . 25024 1 141 . 1 1 23 23 SER N N 15 115.352 0.3 . . . . . A 39 SER N . 25024 1 142 . 1 1 24 24 SER H H 1 7.374 0.03 . . . . . A 40 SER H . 25024 1 143 . 1 1 24 24 SER HA H 1 4.548 0.03 . . . . . A 40 SER HA . 25024 1 144 . 1 1 24 24 SER CA C 13 58.599 0.3 . . . . . A 40 SER CA . 25024 1 145 . 1 1 24 24 SER N N 15 113.788 0.3 . . . . . A 40 SER N . 25024 1 146 . 1 1 25 25 THR H H 1 7.457 0.03 . . . . . A 41 THR H . 25024 1 147 . 1 1 25 25 THR HA H 1 4.16 0.03 . . . . . A 41 THR HA . 25024 1 148 . 1 1 25 25 THR CA C 13 63.398 0.3 . . . . . A 41 THR CA . 25024 1 149 . 1 1 25 25 THR N N 15 117.138 0.3 . . . . . A 41 THR N . 25024 1 150 . 1 1 26 26 THR H H 1 8.624 0.03 . . . . . A 42 THR H . 25024 1 151 . 1 1 26 26 THR CA C 13 61.735 0.3 . . . . . A 42 THR CA . 25024 1 152 . 1 1 26 26 THR N N 15 112.714 0.3 . . . . . A 42 THR N . 25024 1 153 . 1 1 27 27 SER H H 1 7.564 0.03 . . . . . A 43 SER H . 25024 1 154 . 1 1 27 27 SER HA H 1 4.871 0.03 . . . . . A 43 SER HA . 25024 1 155 . 1 1 27 27 SER CA C 13 56.867 0.3 . . . . . A 43 SER CA . 25024 1 156 . 1 1 27 27 SER N N 15 114.883 0.3 . . . . . A 43 SER N . 25024 1 157 . 1 1 28 28 THR HA H 1 3.954 0.03 . . . . . A 44 THR HA . 25024 1 158 . 1 1 28 28 THR CA C 13 66.862 0.3 . . . . . A 44 THR CA . 25024 1 159 . 1 1 29 29 ASP H H 1 8.418 0.03 . . . . . A 45 ASP H . 25024 1 160 . 1 1 29 29 ASP HA H 1 4.357 0.03 . . . . . A 45 ASP HA . 25024 1 161 . 1 1 29 29 ASP CA C 13 57.698 0.3 . . . . . A 45 ASP CA . 25024 1 162 . 1 1 29 29 ASP N N 15 119.961 0.3 . . . . . A 45 ASP N . 25024 1 163 . 1 1 30 30 GLN H H 1 7.776 0.03 . . . . . A 46 GLN H . 25024 1 164 . 1 1 30 30 GLN HA H 1 4.145 0.03 . . . . . A 46 GLN HA . 25024 1 165 . 1 1 30 30 GLN CA C 13 58.893 0.3 . . . . . A 46 GLN CA . 25024 1 166 . 1 1 30 30 GLN N N 15 120.602 0.3 . . . . . A 46 GLN N . 25024 1 167 . 1 1 31 31 ALA H H 1 7.97 0.03 . . . . . A 47 ALA H . 25024 1 168 . 1 1 31 31 ALA HA H 1 4.191 0.03 . . . . . A 47 ALA HA . 25024 1 169 . 1 1 31 31 ALA CA C 13 55.463 0.3 . . . . . A 47 ALA CA . 25024 1 170 . 1 1 31 31 ALA N N 15 121.707 0.3 . . . . . A 47 ALA N . 25024 1 171 . 1 1 32 32 VAL H H 1 8.867 0.03 . . . . . A 48 VAL H . 25024 1 172 . 1 1 32 32 VAL HA H 1 3.646 0.03 . . . . . A 48 VAL HA . 25024 1 173 . 1 1 32 32 VAL CA C 13 67.521 0.3 . . . . . A 48 VAL CA . 25024 1 174 . 1 1 32 32 VAL N N 15 120.967 0.3 . . . . . A 48 VAL N . 25024 1 175 . 1 1 33 33 SER H H 1 8.203 0.03 . . . . . A 49 SER H . 25024 1 176 . 1 1 33 33 SER HA H 1 4.317 0.03 . . . . . A 49 SER HA . 25024 1 177 . 1 1 33 33 SER CA C 13 62.861 0.3 . . . . . A 49 SER CA . 25024 1 178 . 1 1 33 33 SER N N 15 119.258 0.3 . . . . . A 49 SER N . 25024 1 179 . 1 1 34 34 VAL H H 1 8.559 0.03 . . . . . A 50 VAL H . 25024 1 180 . 1 1 34 34 VAL HA H 1 3.924 0.03 . . . . . A 50 VAL HA . 25024 1 181 . 1 1 34 34 VAL CA C 13 66.689 0.3 . . . . . A 50 VAL CA . 25024 1 182 . 1 1 34 34 VAL N N 15 122.257 0.3 . . . . . A 50 VAL N . 25024 1 183 . 1 1 35 35 ALA H H 1 7.781 0.03 . . . . . A 51 ALA H . 25024 1 184 . 1 1 35 35 ALA HA H 1 3.964 0.03 . . . . . A 51 ALA HA . 25024 1 185 . 1 1 35 35 ALA CA C 13 56.035 0.3 . . . . . A 51 ALA CA . 25024 1 186 . 1 1 35 35 ALA N N 15 121.508 0.3 . . . . . A 51 ALA N . 25024 1 187 . 1 1 36 36 THR H H 1 8.768 0.03 . . . . . A 52 THR H . 25024 1 188 . 1 1 36 36 THR HA H 1 3.868 0.03 . . . . . A 52 THR HA . 25024 1 189 . 1 1 36 36 THR CA C 13 66.689 0.3 . . . . . A 52 THR CA . 25024 1 190 . 1 1 36 36 THR N N 15 111.749 0.3 . . . . . A 52 THR N . 25024 1 191 . 1 1 37 37 SER H H 1 8.274 0.03 . . . . . A 53 SER H . 25024 1 192 . 1 1 37 37 SER HA H 1 4.379 0.03 . . . . . A 53 SER HA . 25024 1 193 . 1 1 37 37 SER CA C 13 62.687 0.3 . . . . . A 53 SER CA . 25024 1 194 . 1 1 37 37 SER N N 15 120.043 0.3 . . . . . A 53 SER N . 25024 1 195 . 1 1 38 38 VAL H H 1 8.847 0.03 . . . . . A 54 VAL H . 25024 1 196 . 1 1 38 38 VAL HA H 1 3.652 0.03 . . . . . A 54 VAL HA . 25024 1 197 . 1 1 38 38 VAL CA C 13 67.642 0.3 . . . . . A 54 VAL CA . 25024 1 198 . 1 1 38 38 VAL N N 15 123.434 0.3 . . . . . A 54 VAL N . 25024 1 199 . 1 1 39 39 ALA H H 1 8.582 0.03 . . . . . A 55 ALA H . 25024 1 200 . 1 1 39 39 ALA HA H 1 3.858 0.03 . . . . . A 55 ALA HA . 25024 1 201 . 1 1 39 39 ALA CA C 13 55.862 0.3 . . . . . A 55 ALA CA . 25024 1 202 . 1 1 39 39 ALA N N 15 120.665 0.3 . . . . . A 55 ALA N . 25024 1 203 . 1 1 40 40 GLN H H 1 8.735 0.03 . . . . . A 56 GLN H . 25024 1 204 . 1 1 40 40 GLN HA H 1 4.044 0.03 . . . . . A 56 GLN HA . 25024 1 205 . 1 1 40 40 GLN CA C 13 59.24 0.3 . . . . . A 56 GLN CA . 25024 1 206 . 1 1 40 40 GLN N N 15 118.004 0.3 . . . . . A 56 GLN N . 25024 1 207 . 1 1 41 41 ASN H H 1 7.801 0.03 . . . . . A 57 ASN H . 25024 1 208 . 1 1 41 41 ASN HA H 1 4.407 0.03 . . . . . A 57 ASN HA . 25024 1 209 . 1 1 41 41 ASN CA C 13 57.386 0.3 . . . . . A 57 ASN CA . 25024 1 210 . 1 1 41 41 ASN N N 15 118.789 0.3 . . . . . A 57 ASN N . 25024 1 211 . 1 1 42 42 VAL H H 1 8.315 0.03 . . . . . A 58 VAL H . 25024 1 212 . 1 1 42 42 VAL HA H 1 3.646 0.03 . . . . . A 58 VAL HA . 25024 1 213 . 1 1 42 42 VAL CA C 13 67.001 0.3 . . . . . A 58 VAL CA . 25024 1 214 . 1 1 42 42 VAL N N 15 119.393 0.3 . . . . . A 58 VAL N . 25024 1 215 . 1 1 43 43 GLY H H 1 9.118 0.03 . . . . . A 59 GLY H . 25024 1 216 . 1 1 43 43 GLY HA2 H 1 3.742 0.03 . . . . . A 59 GLY HA2 . 25024 1 217 . 1 1 43 43 GLY CA C 13 47.824 0.3 . . . . . A 59 GLY CA . 25024 1 218 . 1 1 43 43 GLY N N 15 106.297 0.3 . . . . . A 59 GLY N . 25024 1 219 . 1 1 44 44 ASN H H 1 8.477 0.03 . . . . . A 60 ASN H . 25024 1 220 . 1 1 44 44 ASN HA H 1 4.715 0.03 . . . . . A 60 ASN HA . 25024 1 221 . 1 1 44 44 ASN CA C 13 55.931 0.3 . . . . . A 60 ASN CA . 25024 1 222 . 1 1 44 44 ASN N N 15 119.831 0.3 . . . . . A 60 ASN N . 25024 1 223 . 1 1 45 45 GLN H H 1 8.023 0.03 . . . . . A 61 GLN H . 25024 1 224 . 1 1 45 45 GLN HA H 1 4.11 0.03 . . . . . A 61 GLN HA . 25024 1 225 . 1 1 45 45 GLN CA C 13 58.72 0.3 . . . . . A 61 GLN CA . 25024 1 226 . 1 1 45 45 GLN N N 15 121.995 0.3 . . . . . A 61 GLN N . 25024 1 227 . 1 1 46 46 LEU H H 1 7.73 0.03 . . . . . A 62 LEU H . 25024 1 228 . 1 1 46 46 LEU HA H 1 4.327 0.03 . . . . . A 62 LEU HA . 25024 1 229 . 1 1 46 46 LEU CA C 13 54.909 0.3 . . . . . A 62 LEU CA . 25024 1 230 . 1 1 46 46 LEU N N 15 116.092 0.3 . . . . . A 62 LEU N . 25024 1 231 . 1 1 47 47 GLY H H 1 7.671 0.03 . . . . . A 63 GLY H . 25024 1 232 . 1 1 47 47 GLY HA2 H 1 3.903 0.03 . . . . . A 63 GLY HA2 . 25024 1 233 . 1 1 47 47 GLY CA C 13 46.75 0.3 . . . . . A 63 GLY CA . 25024 1 234 . 1 1 47 47 GLY N N 15 108.687 0.3 . . . . . A 63 GLY N . 25024 1 235 . 1 1 48 48 LEU H H 1 7.618 0.03 . . . . . A 64 LEU H . 25024 1 236 . 1 1 48 48 LEU HA H 1 4.115 0.03 . . . . . A 64 LEU HA . 25024 1 237 . 1 1 48 48 LEU CA C 13 55.758 0.3 . . . . . A 64 LEU CA . 25024 1 238 . 1 1 48 48 LEU N N 15 118.739 0.3 . . . . . A 64 LEU N . 25024 1 239 . 1 1 49 49 ASP H H 1 8.279 0.03 . . . . . A 65 ASP H . 25024 1 240 . 1 1 49 49 ASP HA H 1 4.513 0.03 . . . . . A 65 ASP HA . 25024 1 241 . 1 1 49 49 ASP CA C 13 52.692 0.3 . . . . . A 65 ASP CA . 25024 1 242 . 1 1 49 49 ASP N N 15 120.706 0.3 . . . . . A 65 ASP N . 25024 1 243 . 1 1 50 50 ALA H H 1 8.355 0.03 . . . . . A 66 ALA H . 25024 1 244 . 1 1 50 50 ALA HA H 1 3.974 0.03 . . . . . A 66 ALA HA . 25024 1 245 . 1 1 50 50 ALA CA C 13 55.838 0.3 . . . . . A 66 ALA CA . 25024 1 246 . 1 1 50 50 ALA N N 15 120.038 0.3 . . . . . A 66 ALA N . 25024 1 247 . 1 1 51 51 ASN H H 1 8.188 0.03 . . . . . A 67 ASN H . 25024 1 248 . 1 1 51 51 ASN HA H 1 4.483 0.03 . . . . . A 67 ASN HA . 25024 1 249 . 1 1 51 51 ASN CA C 13 56.33 0.3 . . . . . A 67 ASN CA . 25024 1 250 . 1 1 51 51 ASN N N 15 116.511 0.3 . . . . . A 67 ASN N . 25024 1 251 . 1 1 52 52 ALA H H 1 8.446 0.03 . . . . . A 68 ALA H . 25024 1 252 . 1 1 52 52 ALA HA H 1 4.135 0.03 . . . . . A 68 ALA HA . 25024 1 253 . 1 1 52 52 ALA CA C 13 55.117 0.3 . . . . . A 68 ALA CA . 25024 1 254 . 1 1 52 52 ALA N N 15 125.491 0.3 . . . . . A 68 ALA N . 25024 1 255 . 1 1 53 53 MET H H 1 8.894 0.03 . . . . . A 69 MET H . 25024 1 256 . 1 1 53 53 MET HA H 1 4.236 0.03 . . . . . A 69 MET HA . 25024 1 257 . 1 1 53 53 MET CA C 13 57.196 0.3 . . . . . A 69 MET CA . 25024 1 258 . 1 1 53 53 MET N N 15 118.261 0.3 . . . . . A 69 MET N . 25024 1 259 . 1 1 54 54 ASN H H 1 8.069 0.03 . . . . . A 70 ASN H . 25024 1 260 . 1 1 54 54 ASN HA H 1 4.453 0.03 . . . . . A 70 ASN HA . 25024 1 261 . 1 1 54 54 ASN CA C 13 56.849 0.3 . . . . . A 70 ASN CA . 25024 1 262 . 1 1 54 54 ASN N N 15 118.045 0.3 . . . . . A 70 ASN N . 25024 1 263 . 1 1 55 55 SER H H 1 7.94 0.03 . . . . . A 71 SER H . 25024 1 264 . 1 1 55 55 SER HA H 1 4.256 0.03 . . . . . A 71 SER HA . 25024 1 265 . 1 1 55 55 SER CA C 13 61.856 0.3 . . . . . A 71 SER CA . 25024 1 266 . 1 1 55 55 SER N N 15 116.624 0.3 . . . . . A 71 SER N . 25024 1 267 . 1 1 56 56 LEU H H 1 8.419 0.03 . . . . . A 72 LEU H . 25024 1 268 . 1 1 56 56 LEU HA H 1 4.029 0.03 . . . . . A 72 LEU HA . 25024 1 269 . 1 1 56 56 LEU CA C 13 58.686 0.3 . . . . . A 72 LEU CA . 25024 1 270 . 1 1 56 56 LEU N N 15 123.984 0.3 . . . . . A 72 LEU N . 25024 1 271 . 1 1 57 57 LEU H H 1 8.607 0.03 . . . . . A 73 LEU H . 25024 1 272 . 1 1 57 57 LEU HA H 1 3.863 0.03 . . . . . A 73 LEU HA . 25024 1 273 . 1 1 57 57 LEU CA C 13 58.842 0.3 . . . . . A 73 LEU CA . 25024 1 274 . 1 1 57 57 LEU N N 15 118.072 0.3 . . . . . A 73 LEU N . 25024 1 275 . 1 1 58 58 GLY H H 1 8.022 0.03 . . . . . A 74 GLY H . 25024 1 276 . 1 1 58 58 GLY HA2 H 1 3.934 0.03 . . . . . A 74 GLY HA2 . 25024 1 277 . 1 1 58 58 GLY CA C 13 47.166 0.3 . . . . . A 74 GLY CA . 25024 1 278 . 1 1 58 58 GLY N N 15 106.558 0.3 . . . . . A 74 GLY N . 25024 1 279 . 1 1 59 59 ALA H H 1 7.984 0.03 . . . . . A 75 ALA H . 25024 1 280 . 1 1 59 59 ALA HA H 1 7.838 0.03 . . . . . A 75 ALA HA . 25024 1 281 . 1 1 59 59 ALA CA C 13 54.926 0.3 . . . . . A 75 ALA CA . 25024 1 282 . 1 1 59 59 ALA N N 15 124.841 0.3 . . . . . A 75 ALA N . 25024 1 283 . 1 1 60 60 VAL H H 1 8.281 0.03 . . . . . A 76 VAL H . 25024 1 284 . 1 1 60 60 VAL HA H 1 3.541 0.03 . . . . . A 76 VAL HA . 25024 1 285 . 1 1 60 60 VAL CA C 13 66.914 0.3 . . . . . A 76 VAL CA . 25024 1 286 . 1 1 60 60 VAL N N 15 115.849 0.3 . . . . . A 76 VAL N . 25024 1 287 . 1 1 61 61 SER H H 1 8.109 0.03 . . . . . A 77 SER H . 25024 1 288 . 1 1 61 61 SER HA H 1 3.987 0.03 . . . . . A 77 SER HA . 25024 1 289 . 1 1 61 61 SER CA C 13 62.375 0.3 . . . . . A 77 SER CA . 25024 1 290 . 1 1 61 61 SER N N 15 114.446 0.3 . . . . . A 77 SER N . 25024 1 291 . 1 1 62 62 GLY H H 1 8.049 0.03 . . . . . A 78 GLY H . 25024 1 292 . 1 1 62 62 GLY HA3 H 1 3.984 0.03 . . . . . A 78 GLY HA3 . 25024 1 293 . 1 1 62 62 GLY CA C 13 47.287 0.3 . . . . . A 78 GLY CA . 25024 1 294 . 1 1 62 62 GLY N N 15 108.953 0.3 . . . . . A 78 GLY N . 25024 1 295 . 1 1 63 63 TYR H H 1 8.181 0.03 . . . . . A 79 TYR H . 25024 1 296 . 1 1 63 63 TYR HA H 1 4.367 0.03 . . . . . A 79 TYR HA . 25024 1 297 . 1 1 63 63 TYR CA C 13 60.764 0.3 . . . . . A 79 TYR CA . 25024 1 298 . 1 1 63 63 TYR N N 15 121.328 0.3 . . . . . A 79 TYR N . 25024 1 299 . 1 1 64 64 VAL H H 1 8.29 0.03 . . . . . A 80 VAL H . 25024 1 300 . 1 1 64 64 VAL HA H 1 3.621 0.03 . . . . . A 80 VAL HA . 25024 1 301 . 1 1 64 64 VAL CA C 13 66.169 0.3 . . . . . A 80 VAL CA . 25024 1 302 . 1 1 64 64 VAL N N 15 117.377 0.3 . . . . . A 80 VAL N . 25024 1 303 . 1 1 65 65 SER H H 1 8.001 0.03 . . . . . A 81 SER H . 25024 1 304 . 1 1 65 65 SER HA H 1 4.095 0.03 . . . . . A 81 SER HA . 25024 1 305 . 1 1 65 65 SER CA C 13 61.925 0.3 . . . . . A 81 SER CA . 25024 1 306 . 1 1 65 65 SER N N 15 113.503 0.3 . . . . . A 81 SER N . 25024 1 307 . 1 1 66 66 THR H H 1 7.36 0.03 . . . . . A 82 THR H . 25024 1 308 . 1 1 66 66 THR HA H 1 4.402 0.03 . . . . . A 82 THR HA . 25024 1 309 . 1 1 66 66 THR CA C 13 62.67 0.3 . . . . . A 82 THR CA . 25024 1 310 . 1 1 66 66 THR N N 15 110.964 0.3 . . . . . A 82 THR N . 25024 1 311 . 1 1 67 67 LEU H H 1 7.391 0.03 . . . . . A 83 LEU H . 25024 1 312 . 1 1 67 67 LEU HA H 1 4.085 0.03 . . . . . A 83 LEU HA . 25024 1 313 . 1 1 67 67 LEU CA C 13 56.607 0.3 . . . . . A 83 LEU CA . 25024 1 314 . 1 1 67 67 LEU N N 15 121.053 0.3 . . . . . A 83 LEU N . 25024 1 315 . 1 1 68 68 GLY H H 1 8.244 0.03 . . . . . A 84 GLY H . 25024 1 316 . 1 1 68 68 GLY HA3 H 1 3.939 0.03 . . . . . A 84 GLY HA3 . 25024 1 317 . 1 1 68 68 GLY CA C 13 46.559 0.3 . . . . . A 84 GLY CA . 25024 1 318 . 1 1 68 68 GLY N N 15 108.809 0.3 . . . . . A 84 GLY N . 25024 1 319 . 1 1 69 69 ASN HA H 1 4.558 0.03 . . . . . A 85 ASN HA . 25024 1 320 . 1 1 69 69 ASN CA C 13 54.753 0.3 . . . . . A 85 ASN CA . 25024 1 321 . 1 1 70 70 ALA H H 1 7.927 0.03 . . . . . A 86 ALA H . 25024 1 322 . 1 1 70 70 ALA HA H 1 4.412 0.03 . . . . . A 86 ALA HA . 25024 1 323 . 1 1 70 70 ALA CA C 13 52.986 0.3 . . . . . A 86 ALA CA . 25024 1 324 . 1 1 70 70 ALA N N 15 121.797 0.3 . . . . . A 86 ALA N . 25024 1 325 . 1 1 71 71 ILE H H 1 7.327 0.03 . . . . . A 87 ILE H . 25024 1 326 . 1 1 71 71 ILE HA H 1 3.954 0.03 . . . . . A 87 ILE HA . 25024 1 327 . 1 1 71 71 ILE CA C 13 63.935 0.3 . . . . . A 87 ILE CA . 25024 1 328 . 1 1 71 71 ILE N N 15 114.509 0.3 . . . . . A 87 ILE N . 25024 1 329 . 1 1 72 72 SER HA H 1 4.518 0.03 . . . . . A 88 SER HA . 25024 1 330 . 1 1 72 72 SER CA C 13 57.542 0.3 . . . . . A 88 SER CA . 25024 1 331 . 1 1 73 73 ASP H H 1 7.615 0.03 . . . . . A 89 ASP H . 25024 1 332 . 1 1 73 73 ASP HA H 1 4.75 0.03 . . . . . A 89 ASP HA . 25024 1 333 . 1 1 73 73 ASP CA C 13 52.865 0.3 . . . . . A 89 ASP CA . 25024 1 334 . 1 1 73 73 ASP N N 15 123.389 0.3 . . . . . A 89 ASP N . 25024 1 335 . 1 1 74 74 ALA H H 1 8.798 0.03 . . . . . A 90 ALA H . 25024 1 336 . 1 1 74 74 ALA HA H 1 4.009 0.03 . . . . . A 90 ALA HA . 25024 1 337 . 1 1 74 74 ALA CA C 13 56.312 0.3 . . . . . A 90 ALA CA . 25024 1 338 . 1 1 74 74 ALA N N 15 127.38 0.3 . . . . . A 90 ALA N . 25024 1 339 . 1 1 75 75 SER H H 1 8.22 0.03 . . . . . A 91 SER H . 25024 1 340 . 1 1 75 75 SER HA H 1 4.306 0.03 . . . . . A 91 SER HA . 25024 1 341 . 1 1 75 75 SER CA C 13 62.029 0.3 . . . . . A 91 SER CA . 25024 1 342 . 1 1 75 75 SER N N 15 111.605 0.3 . . . . . A 91 SER N . 25024 1 343 . 1 1 76 76 ALA H H 1 8.148 0.03 . . . . . A 92 ALA H . 25024 1 344 . 1 1 76 76 ALA HA H 1 4.16 0.03 . . . . . A 92 ALA HA . 25024 1 345 . 1 1 76 76 ALA CA C 13 55.238 0.3 . . . . . A 92 ALA CA . 25024 1 346 . 1 1 76 76 ALA N N 15 126.144 0.3 . . . . . A 92 ALA N . 25024 1 347 . 1 1 77 77 TYR H H 1 8.948 0.03 . . . . . A 93 TYR H . 25024 1 348 . 1 1 77 77 TYR HA H 1 4.09 0.03 . . . . . A 93 TYR HA . 25024 1 349 . 1 1 77 77 TYR CA C 13 61.994 0.3 . . . . . A 93 TYR CA . 25024 1 350 . 1 1 77 77 TYR N N 15 120.16 0.3 . . . . . A 93 TYR N . 25024 1 351 . 1 1 78 78 ALA H H 1 9.095 0.03 . . . . . A 94 ALA H . 25024 1 352 . 1 1 78 78 ALA HA H 1 3.999 0.03 . . . . . A 94 ALA HA . 25024 1 353 . 1 1 78 78 ALA CA C 13 55.81 0.3 . . . . . A 94 ALA CA . 25024 1 354 . 1 1 78 78 ALA N N 15 120.178 0.3 . . . . . A 94 ALA N . 25024 1 355 . 1 1 79 79 ASN H H 1 8.573 0.03 . . . . . A 95 ASN H . 25024 1 356 . 1 1 79 79 ASN HA H 1 0.896 0.03 . . . . . A 95 ASN HA . 25024 1 357 . 1 1 79 79 ASN CA C 13 56.919 0.3 . . . . . A 95 ASN CA . 25024 1 358 . 1 1 79 79 ASN N N 15 117.684 0.3 . . . . . A 95 ASN N . 25024 1 359 . 1 1 80 80 ALA H H 1 8.151 0.03 . . . . . A 96 ALA H . 25024 1 360 . 1 1 80 80 ALA HA H 1 4.241 0.03 . . . . . A 96 ALA HA . 25024 1 361 . 1 1 80 80 ALA CA C 13 55.723 0.3 . . . . . A 96 ALA CA . 25024 1 362 . 1 1 80 80 ALA N N 15 124.39 0.3 . . . . . A 96 ALA N . 25024 1 363 . 1 1 81 81 ILE H H 1 8.201 0.03 . . . . . A 97 ILE H . 25024 1 364 . 1 1 81 81 ILE HA H 1 3.667 0.03 . . . . . A 97 ILE HA . 25024 1 365 . 1 1 81 81 ILE CA C 13 65.702 0.3 . . . . . A 97 ILE CA . 25024 1 366 . 1 1 81 81 ILE N N 15 113.323 0.3 . . . . . A 97 ILE N . 25024 1 367 . 1 1 82 82 SER H H 1 8.044 0.03 . . . . . A 98 SER H . 25024 1 368 . 1 1 82 82 SER HA H 1 4.09 0.03 . . . . . A 98 SER HA . 25024 1 369 . 1 1 82 82 SER CA C 13 63.502 0.3 . . . . . A 98 SER CA . 25024 1 370 . 1 1 82 82 SER N N 15 116.304 0.3 . . . . . A 98 SER N . 25024 1 371 . 1 1 83 83 SER H H 1 8.3 0.03 . . . . . A 99 SER H . 25024 1 372 . 1 1 83 83 SER HA H 1 4.17 0.03 . . . . . A 99 SER HA . 25024 1 373 . 1 1 83 83 SER CA C 13 61.942 0.3 . . . . . A 99 SER CA . 25024 1 374 . 1 1 83 83 SER N N 15 118.306 0.3 . . . . . A 99 SER N . 25024 1 375 . 1 1 84 84 ALA H H 1 7.558 0.03 . . . . . A 100 ALA H . 25024 1 376 . 1 1 84 84 ALA HA H 1 3.697 0.03 . . . . . A 100 ALA HA . 25024 1 377 . 1 1 84 84 ALA CA C 13 55.256 0.3 . . . . . A 100 ALA CA . 25024 1 378 . 1 1 84 84 ALA N N 15 123.862 0.3 . . . . . A 100 ALA N . 25024 1 379 . 1 1 85 85 ILE H H 1 7.946 0.03 . . . . . A 101 ILE H . 25024 1 380 . 1 1 85 85 ILE HA H 1 1.037 0.03 . . . . . A 101 ILE HA . 25024 1 381 . 1 1 85 85 ILE CA C 13 65.355 0.3 . . . . . A 101 ILE CA . 25024 1 382 . 1 1 85 85 ILE N N 15 114.653 0.3 . . . . . A 101 ILE N . 25024 1 383 . 1 1 86 86 GLY H H 1 8.759 0.03 . . . . . A 102 GLY H . 25024 1 384 . 1 1 86 86 GLY HA2 H 1 3.888 0.03 . . . . . A 102 GLY HA2 . 25024 1 385 . 1 1 86 86 GLY CA C 13 48.465 0.3 . . . . . A 102 GLY CA . 25024 1 386 . 1 1 86 86 GLY N N 15 105.521 0.3 . . . . . A 102 GLY N . 25024 1 387 . 1 1 87 87 ASN H H 1 8.057 0.03 . . . . . A 103 ASN H . 25024 1 388 . 1 1 87 87 ASN HA H 1 4.453 0.03 . . . . . A 103 ASN HA . 25024 1 389 . 1 1 87 87 ASN CA C 13 56.849 0.3 . . . . . A 103 ASN CA . 25024 1 390 . 1 1 87 87 ASN N N 15 117.973 0.3 . . . . . A 103 ASN N . 25024 1 391 . 1 1 88 88 VAL H H 1 7.456 0.03 . . . . . A 104 VAL H . 25024 1 392 . 1 1 88 88 VAL HA H 1 3.717 0.03 . . . . . A 104 VAL HA . 25024 1 393 . 1 1 88 88 VAL CA C 13 66.481 0.3 . . . . . A 104 VAL CA . 25024 1 394 . 1 1 88 88 VAL N N 15 119.605 0.3 . . . . . A 104 VAL N . 25024 1 395 . 1 1 89 89 LEU H H 1 8.264 0.03 . . . . . A 105 LEU H . 25024 1 396 . 1 1 89 89 LEU HA H 1 3.893 0.03 . . . . . A 105 LEU HA . 25024 1 397 . 1 1 89 89 LEU CA C 13 57.369 0.3 . . . . . A 105 LEU CA . 25024 1 398 . 1 1 89 89 LEU N N 15 119.032 0.3 . . . . . A 105 LEU N . 25024 1 399 . 1 1 90 90 ALA H H 1 8.273 0.03 . . . . . A 106 ALA H . 25024 1 400 . 1 1 90 90 ALA HA H 1 3.964 0.03 . . . . . A 106 ALA HA . 25024 1 401 . 1 1 90 90 ALA CA C 13 55.134 0.3 . . . . . A 106 ALA CA . 25024 1 402 . 1 1 90 90 ALA N N 15 120.958 0.3 . . . . . A 106 ALA N . 25024 1 403 . 1 1 91 91 ASN H H 1 8.145 0.03 . . . . . A 107 ASN H . 25024 1 404 . 1 1 91 91 ASN HA H 1 4.548 0.03 . . . . . A 107 ASN HA . 25024 1 405 . 1 1 91 91 ASN CA C 13 55.741 0.3 . . . . . A 107 ASN CA . 25024 1 406 . 1 1 91 91 ASN N N 15 117.594 0.3 . . . . . A 107 ASN N . 25024 1 407 . 1 1 92 92 SER H H 1 7.874 0.03 . . . . . A 108 SER H . 25024 1 408 . 1 1 92 92 SER CA C 13 59.153 0.3 . . . . . A 108 SER CA . 25024 1 409 . 1 1 92 92 SER N N 15 112.078 0.3 . . . . . A 108 SER N . 25024 1 410 . 1 1 93 93 GLY H H 1 7.801 0.03 . . . . . A 109 GLY H . 25024 1 411 . 1 1 93 93 GLY HA3 H 1 3.903 0.03 . . . . . A 109 GLY HA3 . 25024 1 412 . 1 1 93 93 GLY CA C 13 45.901 0.3 . . . . . A 109 GLY CA . 25024 1 413 . 1 1 93 93 GLY N N 15 109.512 0.3 . . . . . A 109 GLY N . 25024 1 414 . 1 1 94 94 SER H H 1 7.966 0.03 . . . . . A 110 SER H . 25024 1 415 . 1 1 94 94 SER HA H 1 4.312 0.03 . . . . . A 110 SER HA . 25024 1 416 . 1 1 94 94 SER CA C 13 55.238 0.3 . . . . . A 110 SER CA . 25024 1 417 . 1 1 94 94 SER N N 15 121.337 0.3 . . . . . A 110 SER N . 25024 1 418 . 1 1 95 95 ILE H H 1 7.98 0.03 . . . . . A 111 ILE H . 25024 1 419 . 1 1 95 95 ILE HA H 1 4.332 0.03 . . . . . A 111 ILE HA . 25024 1 420 . 1 1 95 95 ILE CA C 13 59.933 0.3 . . . . . A 111 ILE CA . 25024 1 421 . 1 1 95 95 ILE N N 15 122.104 0.3 . . . . . A 111 ILE N . 25024 1 422 . 1 1 102 102 SER HA H 1 4.344 0.03 . . . . . A 118 SER HA . 25024 1 423 . 1 1 102 102 SER CA C 13 61.128 0.3 . . . . . A 118 SER CA . 25024 1 424 . 1 1 103 103 ALA H H 1 8.631 0.03 . . . . . A 119 ALA H . 25024 1 425 . 1 1 103 103 ALA HA H 1 4.344 0.03 . . . . . A 119 ALA HA . 25024 1 426 . 1 1 103 103 ALA CA C 13 61.128 0.3 . . . . . A 119 ALA CA . 25024 1 427 . 1 1 103 103 ALA N N 15 126.054 0.3 . . . . . A 119 ALA N . 25024 1 428 . 1 1 104 104 ALA H H 1 8.066 0.03 . . . . . A 120 ALA H . 25024 1 429 . 1 1 104 104 ALA HA H 1 3.601 0.03 . . . . . A 120 ALA HA . 25024 1 430 . 1 1 104 104 ALA CA C 13 55.082 0.3 . . . . . A 120 ALA CA . 25024 1 431 . 1 1 104 104 ALA N N 15 120.246 0.3 . . . . . A 120 ALA N . 25024 1 432 . 1 1 105 105 SER H H 1 8.027 0.03 . . . . . A 121 SER H . 25024 1 433 . 1 1 105 105 SER HA H 1 4.017 0.03 . . . . . A 121 SER HA . 25024 1 434 . 1 1 105 105 SER CA C 13 61.804 0.3 . . . . . A 121 SER CA . 25024 1 435 . 1 1 105 105 SER N N 15 114.563 0.3 . . . . . A 121 SER N . 25024 1 436 . 1 1 106 106 SER H H 1 8.074 0.03 . . . . . A 122 SER H . 25024 1 437 . 1 1 106 106 SER HA H 1 4.261 0.03 . . . . . A 122 SER HA . 25024 1 438 . 1 1 106 106 SER CA C 13 61.544 0.3 . . . . . A 122 SER CA . 25024 1 439 . 1 1 106 106 SER N N 15 117.873 0.3 . . . . . A 122 SER N . 25024 1 440 . 1 1 107 107 ALA H H 1 8.397 0.03 . . . . . A 123 ALA H . 25024 1 441 . 1 1 107 107 ALA HA H 1 4.135 0.03 . . . . . A 123 ALA HA . 25024 1 442 . 1 1 107 107 ALA CA C 13 55.013 0.3 . . . . . A 123 ALA CA . 25024 1 443 . 1 1 107 107 ALA N N 15 124.214 0.3 . . . . . A 123 ALA N . 25024 1 444 . 1 1 108 108 ALA H H 1 8.486 0.03 . . . . . A 124 ALA H . 25024 1 445 . 1 1 108 108 ALA HA H 1 3.762 0.03 . . . . . A 124 ALA HA . 25024 1 446 . 1 1 108 108 ALA CA C 13 55.394 0.3 . . . . . A 124 ALA CA . 25024 1 447 . 1 1 108 108 ALA N N 15 119.452 0.3 . . . . . A 124 ALA N . 25024 1 448 . 1 1 109 109 SER H H 1 7.956 0.03 . . . . . A 125 SER H . 25024 1 449 . 1 1 109 109 SER HA H 1 4.312 0.03 . . . . . A 125 SER HA . 25024 1 450 . 1 1 109 109 SER CA C 13 61.163 0.3 . . . . . A 125 SER CA . 25024 1 451 . 1 1 109 109 SER N N 15 112.484 0.3 . . . . . A 125 SER N . 25024 1 452 . 1 1 110 110 SER H H 1 7.775 0.03 . . . . . A 126 SER H . 25024 1 453 . 1 1 110 110 SER HA H 1 4.322 0.03 . . . . . A 126 SER HA . 25024 1 454 . 1 1 110 110 SER CA C 13 61.596 0.3 . . . . . A 126 SER CA . 25024 1 455 . 1 1 110 110 SER N N 15 117.341 0.3 . . . . . A 126 SER N . 25024 1 456 . 1 1 111 111 VAL H H 1 7.809 0.03 . . . . . A 127 VAL H . 25024 1 457 . 1 1 111 111 VAL HA H 1 3.823 0.03 . . . . . A 127 VAL HA . 25024 1 458 . 1 1 111 111 VAL CA C 13 66.758 0.3 . . . . . A 127 VAL CA . 25024 1 459 . 1 1 111 111 VAL N N 15 121.644 0.3 . . . . . A 127 VAL N . 25024 1 460 . 1 1 112 112 THR HA H 1 4.044 0.03 . . . . . A 128 THR HA . 25024 1 461 . 1 1 112 112 THR CA C 13 66.18 0.3 . . . . . A 128 THR CA . 25024 1 462 . 1 1 113 113 THR H H 1 8.628 0.03 . . . . . A 129 THR H . 25024 1 463 . 1 1 113 113 THR HA H 1 4.211 0.03 . . . . . A 129 THR HA . 25024 1 464 . 1 1 113 113 THR CA C 13 66.395 0.3 . . . . . A 129 THR CA . 25024 1 465 . 1 1 113 113 THR N N 15 119.461 0.3 . . . . . A 129 THR N . 25024 1 466 . 1 1 114 114 THR H H 1 7.876 0.03 . . . . . A 130 THR H . 25024 1 467 . 1 1 114 114 THR HA H 1 4.189 0.03 . . . . . A 130 THR HA . 25024 1 468 . 1 1 114 114 THR CA C 13 66.412 0.3 . . . . . A 130 THR CA . 25024 1 469 . 1 1 114 114 THR N N 15 120.21 0.3 . . . . . A 130 THR N . 25024 1 470 . 1 1 115 115 LEU H H 1 8.246 0.03 . . . . . A 131 LEU H . 25024 1 471 . 1 1 115 115 LEU HA H 1 4.115 0.03 . . . . . A 131 LEU HA . 25024 1 472 . 1 1 115 115 LEU CA C 13 58.114 0.3 . . . . . A 131 LEU CA . 25024 1 473 . 1 1 115 115 LEU N N 15 122.117 0.3 . . . . . A 131 LEU N . 25024 1 474 . 1 1 116 116 THR H H 1 8.412 0.03 . . . . . A 132 THR H . 25024 1 475 . 1 1 116 116 THR HA H 1 4.055 0.03 . . . . . A 132 THR HA . 25024 1 476 . 1 1 116 116 THR CA C 13 65.632 0.3 . . . . . A 132 THR CA . 25024 1 477 . 1 1 116 116 THR N N 15 114.487 0.3 . . . . . A 132 THR N . 25024 1 478 . 1 1 117 117 SER H H 1 8.029 0.03 . . . . . A 133 SER H . 25024 1 479 . 1 1 117 117 SER HA H 1 4.201 0.03 . . . . . A 133 SER HA . 25024 1 480 . 1 1 117 117 SER CA C 13 61.405 0.3 . . . . . A 133 SER CA . 25024 1 481 . 1 1 117 117 SER N N 15 116.169 0.3 . . . . . A 133 SER N . 25024 1 482 . 1 1 118 118 TYR H H 1 8.169 0.03 . . . . . A 134 TYR H . 25024 1 483 . 1 1 118 118 TYR HA H 1 4.745 0.03 . . . . . A 134 TYR HA . 25024 1 484 . 1 1 118 118 TYR CA C 13 58.686 0.3 . . . . . A 134 TYR CA . 25024 1 485 . 1 1 118 118 TYR N N 15 117.562 0.3 . . . . . A 134 TYR N . 25024 1 486 . 1 1 119 119 GLY H H 1 7.979 0.03 . . . . . A 135 GLY H . 25024 1 487 . 1 1 119 119 GLY HA2 H 1 4.412 0.03 . . . . . A 135 GLY HA2 . 25024 1 488 . 1 1 119 119 GLY CA C 13 45.208 0.3 . . . . . A 135 GLY CA . 25024 1 489 . 1 1 119 119 GLY N N 15 109.639 0.3 . . . . . A 135 GLY N . 25024 1 490 . 1 1 120 120 PRO HA H 1 4.276 0.03 . . . . . A 136 PRO HA . 25024 1 491 . 1 1 120 120 PRO CA C 13 64.437 0.3 . . . . . A 136 PRO CA . 25024 1 492 . 1 1 121 121 ALA H H 1 8.221 0.03 . . . . . A 137 ALA H . 25024 1 493 . 1 1 121 121 ALA HA H 1 3.944 0.03 . . . . . A 137 ALA HA . 25024 1 494 . 1 1 121 121 ALA CA C 13 54.511 0.3 . . . . . A 137 ALA CA . 25024 1 495 . 1 1 121 121 ALA N N 15 120.155 0.3 . . . . . A 137 ALA N . 25024 1 496 . 1 1 122 122 VAL H H 1 7.217 0.03 . . . . . A 138 VAL H . 25024 1 497 . 1 1 122 122 VAL HA H 1 3.949 0.03 . . . . . A 138 VAL HA . 25024 1 498 . 1 1 122 122 VAL CA C 13 63.346 0.3 . . . . . A 138 VAL CA . 25024 1 499 . 1 1 122 122 VAL N N 15 112.949 0.3 . . . . . A 138 VAL N . 25024 1 500 . 1 1 123 123 PHE H H 1 7.882 0.03 . . . . . A 139 PHE H . 25024 1 501 . 1 1 123 123 PHE HA H 1 4.589 0.03 . . . . . A 139 PHE HA . 25024 1 502 . 1 1 123 123 PHE CA C 13 58.564 0.3 . . . . . A 139 PHE CA . 25024 1 503 . 1 1 123 123 PHE N N 15 119.556 0.3 . . . . . A 139 PHE N . 25024 1 504 . 1 1 124 124 TYR H H 1 7.482 0.03 . . . . . A 140 TYR H . 25024 1 505 . 1 1 124 124 TYR HA H 1 4.609 0.03 . . . . . A 140 TYR HA . 25024 1 506 . 1 1 124 124 TYR CA C 13 57.075 0.3 . . . . . A 140 TYR CA . 25024 1 507 . 1 1 124 124 TYR N N 15 117.441 0.3 . . . . . A 140 TYR N . 25024 1 508 . 1 1 125 125 ALA H H 1 7.804 0.03 . . . . . A 141 ALA H . 25024 1 509 . 1 1 125 125 ALA HA H 1 7.773 0.03 . . . . . A 141 ALA HA . 25024 1 510 . 1 1 125 125 ALA CA C 13 50.457 0.3 . . . . . A 141 ALA CA . 25024 1 511 . 1 1 125 125 ALA N N 15 124.972 0.3 . . . . . A 141 ALA N . 25024 1 stop_ save_