data_51510 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51510 _Entry.Title ; NMR and biochemical characterization of the interaction between FGFR1 juxtamembrane domain and phospholipids ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-02 _Entry.Accession_date 2022-07-02 _Entry.Last_release_date 2022-07-05 _Entry.Original_release_date 2022-07-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Yunyan Li . . . . 51510 2 Yong Liu . . . . 51510 3 Huiqin Zhang . . . . 51510 4 Zhen Wang . . . . 51510 5 Maosen Ruan . . . . 51510 6 Jiarong Wang . . . . 51510 7 Jing Yang . . . . 51510 8 Bo Wu . . . . 51510 9 Junfeng Wang . . . . 51510 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51510 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 131 51510 '15N chemical shifts' 67 51510 '1H chemical shifts' 67 51510 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 . . 2023-01-03 . original BMRB . 51510 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51510 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR and biochemical characterization of the interaction between FGFR1 juxtamembrane domain and phospholipids ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Magnetic Resonance Letters' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunyan Li . . . . 51510 1 2 Yong Liu . . . . 51510 1 3 Huiqin Zhang . . . . 51510 1 4 Zhen Wang . . . . 51510 1 5 Maosen Ruan . . . . 51510 1 6 Jiarong Wang . . . . 51510 1 7 Jing Yang . . . . 51510 1 8 Bo Wu . . . . 51510 1 9 Junfeng Wang . . . . 51510 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51510 _Assembly.ID 1 _Assembly.Name 'FGFR1 TMD-JMD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'FGFR1 TMD-JMD' 1 $entity_1 . . yes native no no . . . 51510 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51510 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGENLYFQH RHMSPLYLEIIIYCTGAFLI SCMVGSVIVYKMKSGTKKSD FHSQMAVHKLAKSIPLRRQV TVSADSSASMNSGVLLVRPS RLSSSGTPMLAGVSEYELPE DPR ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 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 . MET . 51510 1 2 . GLY . 51510 1 3 . SER . 51510 1 4 . SER . 51510 1 5 . HIS . 51510 1 6 . HIS . 51510 1 7 . HIS . 51510 1 8 . HIS . 51510 1 9 . HIS . 51510 1 10 . HIS . 51510 1 11 . SER . 51510 1 12 . SER . 51510 1 13 . GLY . 51510 1 14 . GLU . 51510 1 15 . ASN . 51510 1 16 . LEU . 51510 1 17 . TYR . 51510 1 18 . PHE . 51510 1 19 . GLN . 51510 1 20 . HIS . 51510 1 21 . ARG . 51510 1 22 . HIS . 51510 1 23 . MET . 51510 1 24 . SER . 51510 1 25 . PRO . 51510 1 26 . LEU . 51510 1 27 . TYR . 51510 1 28 . LEU . 51510 1 29 . GLU . 51510 1 30 . ILE . 51510 1 31 . ILE . 51510 1 32 . ILE . 51510 1 33 . TYR . 51510 1 34 . CYS . 51510 1 35 . THR . 51510 1 36 . GLY . 51510 1 37 . ALA . 51510 1 38 . PHE . 51510 1 39 . LEU . 51510 1 40 . ILE . 51510 1 41 . SER . 51510 1 42 . CYS . 51510 1 43 . MET . 51510 1 44 . VAL . 51510 1 45 . GLY . 51510 1 46 . SER . 51510 1 47 . VAL . 51510 1 48 . ILE . 51510 1 49 . VAL . 51510 1 50 . TYR . 51510 1 51 . LYS . 51510 1 52 . MET . 51510 1 53 . LYS . 51510 1 54 . SER . 51510 1 55 . GLY . 51510 1 56 . THR . 51510 1 57 . LYS . 51510 1 58 . LYS . 51510 1 59 . SER . 51510 1 60 . ASP . 51510 1 61 . PHE . 51510 1 62 . HIS . 51510 1 63 . SER . 51510 1 64 . GLN . 51510 1 65 . MET . 51510 1 66 . ALA . 51510 1 67 . VAL . 51510 1 68 . HIS . 51510 1 69 . LYS . 51510 1 70 . LEU . 51510 1 71 . ALA . 51510 1 72 . LYS . 51510 1 73 . SER . 51510 1 74 . ILE . 51510 1 75 . PRO . 51510 1 76 . LEU . 51510 1 77 . ARG . 51510 1 78 . ARG . 51510 1 79 . GLN . 51510 1 80 . VAL . 51510 1 81 . THR . 51510 1 82 . VAL . 51510 1 83 . SER . 51510 1 84 . ALA . 51510 1 85 . ASP . 51510 1 86 . SER . 51510 1 87 . SER . 51510 1 88 . ALA . 51510 1 89 . SER . 51510 1 90 . MET . 51510 1 91 . ASN . 51510 1 92 . SER . 51510 1 93 . GLY . 51510 1 94 . VAL . 51510 1 95 . LEU . 51510 1 96 . LEU . 51510 1 97 . VAL . 51510 1 98 . ARG . 51510 1 99 . PRO . 51510 1 100 . SER . 51510 1 101 . ARG . 51510 1 102 . LEU . 51510 1 103 . SER . 51510 1 104 . SER . 51510 1 105 . SER . 51510 1 106 . GLY . 51510 1 107 . THR . 51510 1 108 . PRO . 51510 1 109 . MET . 51510 1 110 . LEU . 51510 1 111 . ALA . 51510 1 112 . GLY . 51510 1 113 . VAL . 51510 1 114 . SER . 51510 1 115 . GLU . 51510 1 116 . TYR . 51510 1 117 . GLU . 51510 1 118 . LEU . 51510 1 119 . PRO . 51510 1 120 . GLU . 51510 1 121 . ASP . 51510 1 122 . PRO . 51510 1 123 . ARG . 51510 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51510 1 . GLY 2 2 51510 1 . SER 3 3 51510 1 . SER 4 4 51510 1 . HIS 5 5 51510 1 . HIS 6 6 51510 1 . HIS 7 7 51510 1 . HIS 8 8 51510 1 . HIS 9 9 51510 1 . HIS 10 10 51510 1 . SER 11 11 51510 1 . SER 12 12 51510 1 . GLY 13 13 51510 1 . GLU 14 14 51510 1 . ASN 15 15 51510 1 . LEU 16 16 51510 1 . TYR 17 17 51510 1 . PHE 18 18 51510 1 . GLN 19 19 51510 1 . HIS 20 20 51510 1 . ARG 21 21 51510 1 . HIS 22 22 51510 1 . MET 23 23 51510 1 . SER 24 24 51510 1 . PRO 25 25 51510 1 . LEU 26 26 51510 1 . TYR 27 27 51510 1 . LEU 28 28 51510 1 . GLU 29 29 51510 1 . ILE 30 30 51510 1 . ILE 31 31 51510 1 . ILE 32 32 51510 1 . TYR 33 33 51510 1 . CYS 34 34 51510 1 . THR 35 35 51510 1 . GLY 36 36 51510 1 . ALA 37 37 51510 1 . PHE 38 38 51510 1 . LEU 39 39 51510 1 . ILE 40 40 51510 1 . SER 41 41 51510 1 . CYS 42 42 51510 1 . MET 43 43 51510 1 . VAL 44 44 51510 1 . GLY 45 45 51510 1 . SER 46 46 51510 1 . VAL 47 47 51510 1 . ILE 48 48 51510 1 . VAL 49 49 51510 1 . TYR 50 50 51510 1 . LYS 51 51 51510 1 . MET 52 52 51510 1 . LYS 53 53 51510 1 . SER 54 54 51510 1 . GLY 55 55 51510 1 . THR 56 56 51510 1 . LYS 57 57 51510 1 . LYS 58 58 51510 1 . SER 59 59 51510 1 . ASP 60 60 51510 1 . PHE 61 61 51510 1 . HIS 62 62 51510 1 . SER 63 63 51510 1 . GLN 64 64 51510 1 . MET 65 65 51510 1 . ALA 66 66 51510 1 . VAL 67 67 51510 1 . HIS 68 68 51510 1 . LYS 69 69 51510 1 . LEU 70 70 51510 1 . ALA 71 71 51510 1 . LYS 72 72 51510 1 . SER 73 73 51510 1 . ILE 74 74 51510 1 . PRO 75 75 51510 1 . LEU 76 76 51510 1 . ARG 77 77 51510 1 . ARG 78 78 51510 1 . GLN 79 79 51510 1 . VAL 80 80 51510 1 . THR 81 81 51510 1 . VAL 82 82 51510 1 . SER 83 83 51510 1 . ALA 84 84 51510 1 . ASP 85 85 51510 1 . SER 86 86 51510 1 . SER 87 87 51510 1 . ALA 88 88 51510 1 . SER 89 89 51510 1 . MET 90 90 51510 1 . ASN 91 91 51510 1 . SER 92 92 51510 1 . GLY 93 93 51510 1 . VAL 94 94 51510 1 . LEU 95 95 51510 1 . LEU 96 96 51510 1 . VAL 97 97 51510 1 . ARG 98 98 51510 1 . PRO 99 99 51510 1 . SER 100 100 51510 1 . ARG 101 101 51510 1 . LEU 102 102 51510 1 . SER 103 103 51510 1 . SER 104 104 51510 1 . SER 105 105 51510 1 . GLY 106 106 51510 1 . THR 107 107 51510 1 . PRO 108 108 51510 1 . MET 109 109 51510 1 . LEU 110 110 51510 1 . ALA 111 111 51510 1 . GLY 112 112 51510 1 . VAL 113 113 51510 1 . SER 114 114 51510 1 . GLU 115 115 51510 1 . TYR 116 116 51510 1 . GLU 117 117 51510 1 . LEU 118 118 51510 1 . PRO 119 119 51510 1 . GLU 120 120 51510 1 . ASP 121 121 51510 1 . PRO 122 122 51510 1 . ARG 123 123 51510 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51510 _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_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51510 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51510 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51510 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51510 _Sample.ID 1 _Sample.Name 'FGFR1 TMD-JMD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _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 'FGFR1 TMD-JMD in Bicelles without DOPS' '[U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51510 1 2 'FGFR1 TMD-JMD in Bicelles with 20% DOPS' '[U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51510 1 3 'FGFR1 TMD-JMD in Bicelles without DOPS' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51510 1 4 'FGFR1 TMD-JMD in Bicelles with 20% DOPS' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51510 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 51510 _Sample_condition_list.ID 1 _Sample_condition_list.Name Bicelles _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' 0.1 . M 51510 1 pH 7.2 . pH 51510 1 pressure 1 . atm 51510 1 temperature 303 . K 51510 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51510 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51510 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51510 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51510 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51510 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker DMX 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51510 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 2 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 3 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 7 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51510 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51510 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 40 internal indirect . . . . . . 51510 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51510 1 N 15 water protons . . . . ppm 115.4 internal indirect . . . . . . 51510 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51510 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FGFR1 TMD-JMD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 51510 1 2 '3D HN(CA)CO' . . . 51510 1 3 '3D HN(CO)CACB' . . . 51510 1 4 '3D HNCACB' . . . 51510 1 5 '3D HNCO' . . . 51510 1 6 '3D HN(CO)CA' . . . 51510 1 7 '3D HNCA' . . . 51510 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 $software_1 . . 51510 1 2 $software_2 . . 51510 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY H H 1 8.520 0.0 . 1 . . 179 . . 2 GLY H . 51510 1 2 . 1 . 1 2 2 GLY CA C 13 44.797 0.014 . 1 . . 248 . . 2 GLY CA . 51510 1 3 . 1 . 1 2 2 GLY N N 15 110.680 0.023 . 1 . . 180 . . 2 GLY N . 51510 1 4 . 1 . 1 3 3 SER H H 1 8.144 0.001 . 1 . . 53 . . 3 SER H . 51510 1 5 . 1 . 1 3 3 SER CA C 13 58.013 0.068 . 1 . . 256 . . 3 SER CA . 51510 1 6 . 1 . 1 3 3 SER CB C 13 63.542 0.009 . 1 . . 257 . . 3 SER CB . 51510 1 7 . 1 . 1 3 3 SER N N 15 115.995 0.03 . 1 . . 54 . . 3 SER N . 51510 1 8 . 1 . 1 4 4 SER H H 1 8.254 0.001 . 1 . . 107 . . 4 SER H . 51510 1 9 . 1 . 1 4 4 SER CA C 13 58.312 0.005 . 1 . . 278 . . 4 SER CA . 51510 1 10 . 1 . 1 4 4 SER CB C 13 63.267 0.095 . 1 . . 279 . . 4 SER CB . 51510 1 11 . 1 . 1 4 4 SER N N 15 118.140 0.001 . 1 . . 108 . . 4 SER N . 51510 1 12 . 1 . 1 5 5 HIS H H 1 8.356 0.001 . 1 . . 171 . . 5 HIS H . 51510 1 13 . 1 . 1 5 5 HIS CA C 13 55.526 . . 1 . . 368 . . 5 HIS CA . 51510 1 14 . 1 . 1 5 5 HIS CB C 13 28.246 0.02 . 1 . . 367 . . 5 HIS CB . 51510 1 15 . 1 . 1 5 5 HIS N N 15 122.378 0.004 . 1 . . 172 . . 5 HIS N . 51510 1 16 . 1 . 1 6 6 HIS H H 1 8.491 0.001 . 1 . . 119 . . 6 HIS H . 51510 1 17 . 1 . 1 6 6 HIS CA C 13 54.560 0.027 . 1 . . 345 . . 6 HIS CA . 51510 1 18 . 1 . 1 6 6 HIS CB C 13 28.238 0.045 . 1 . . 344 . . 6 HIS CB . 51510 1 19 . 1 . 1 6 6 HIS N N 15 119.931 0.017 . 1 . . 120 . . 6 HIS N . 51510 1 20 . 1 . 1 7 7 HIS H H 1 8.538 0.0 . 1 . . 59 . . 7 HIS H . 51510 1 21 . 1 . 1 7 7 HIS CA C 13 54.551 0.049 . 1 . . 346 . . 7 HIS CA . 51510 1 22 . 1 . 1 7 7 HIS CB C 13 28.207 . . 1 . . 347 . . 7 HIS CB . 51510 1 23 . 1 . 1 7 7 HIS N N 15 120.219 0.005 . 1 . . 60 . . 7 HIS N . 51510 1 24 . 1 . 1 8 8 HIS H H 1 8.597 0.0 . 1 . . 233 . . 8 HIS H . 51510 1 25 . 1 . 1 8 8 HIS CA C 13 54.620 0.058 . 1 . . 351 . . 8 HIS CA . 51510 1 26 . 1 . 1 8 8 HIS CB C 13 28.397 0.064 . 1 . . 350 . . 8 HIS CB . 51510 1 27 . 1 . 1 8 8 HIS N N 15 120.818 0.04 . 1 . . 234 . . 8 HIS N . 51510 1 28 . 1 . 1 9 9 HIS H H 1 8.612 0.001 . 1 . . 165 . . 9 HIS H . 51510 1 29 . 1 . 1 9 9 HIS CA C 13 54.765 0.06 . 1 . . 355 . . 9 HIS CA . 51510 1 30 . 1 . 1 9 9 HIS CB C 13 28.466 0.053 . 1 . . 356 . . 9 HIS CB . 51510 1 31 . 1 . 1 9 9 HIS N N 15 121.291 0.019 . 1 . . 166 . . 9 HIS N . 51510 1 32 . 1 . 1 10 10 HIS H H 1 8.607 0.0 . 1 . . 237 . . 10 HIS H . 51510 1 33 . 1 . 1 10 10 HIS CA C 13 54.786 0.038 . 1 . . 358 . . 10 HIS CA . 51510 1 34 . 1 . 1 10 10 HIS CB C 13 28.488 0.042 . 1 . . 357 . . 10 HIS CB . 51510 1 35 . 1 . 1 10 10 HIS N N 15 121.870 0.012 . 1 . . 238 . . 10 HIS N . 51510 1 36 . 1 . 1 11 11 SER H H 1 8.409 0.001 . 1 . . 123 . . 11 SER H . 51510 1 37 . 1 . 1 11 11 SER CA C 13 57.595 0.004 . 1 . . 294 . . 11 SER CA . 51510 1 38 . 1 . 1 11 11 SER CB C 13 63.696 0.045 . 1 . . 295 . . 11 SER CB . 51510 1 39 . 1 . 1 11 11 SER N N 15 119.019 0.004 . 1 . . 124 . . 11 SER N . 51510 1 40 . 1 . 1 12 12 SER H H 1 8.477 0.001 . 1 . . 37 . . 12 SER H . 51510 1 41 . 1 . 1 12 12 SER CA C 13 58.180 0.001 . 1 . . 286 . . 12 SER CA . 51510 1 42 . 1 . 1 12 12 SER CB C 13 63.502 0.016 . 1 . . 287 . . 12 SER CB . 51510 1 43 . 1 . 1 12 12 SER N N 15 118.741 0.002 . 1 . . 38 . . 12 SER N . 51510 1 44 . 1 . 1 13 13 GLY H H 1 8.393 0.001 . 1 . . 153 . . 13 GLY H . 51510 1 45 . 1 . 1 13 13 GLY CA C 13 44.885 0.053 . 1 . . 246 . . 13 GLY CA . 51510 1 46 . 1 . 1 13 13 GLY N N 15 110.938 0.025 . 1 . . 154 . . 13 GLY N . 51510 1 47 . 1 . 1 14 14 GLU H H 1 8.120 0.002 . 1 . . 89 . . 14 GLU H . 51510 1 48 . 1 . 1 14 14 GLU CA C 13 55.708 0.049 . 1 . . 317 . . 14 GLU CA . 51510 1 49 . 1 . 1 14 14 GLU CB C 13 28.347 0.036 . 1 . . 316 . . 14 GLU CB . 51510 1 50 . 1 . 1 14 14 GLU N N 15 120.128 0.003 . 1 . . 90 . . 14 GLU N . 51510 1 51 . 1 . 1 15 15 ASN H H 1 8.368 0.002 . 1 . . 31 . . 15 ASN H . 51510 1 52 . 1 . 1 15 15 ASN CA C 13 53.117 0.009 . 1 . . 327 . . 15 ASN CA . 51510 1 53 . 1 . 1 15 15 ASN CB C 13 38.037 0.034 . 1 . . 326 . . 15 ASN CB . 51510 1 54 . 1 . 1 15 15 ASN N N 15 119.723 0.016 . 1 . . 32 . . 15 ASN N . 51510 1 55 . 1 . 1 16 16 LEU H H 1 8.051 0.002 . 1 . . 217 . . 16 LEU H . 51510 1 56 . 1 . 1 16 16 LEU CA C 13 55.169 0.044 . 1 . . 394 . . 16 LEU CA . 51510 1 57 . 1 . 1 16 16 LEU CB C 13 40.918 0.077 . 1 . . 393 . . 16 LEU CB . 51510 1 58 . 1 . 1 16 16 LEU N N 15 122.171 0.01 . 1 . . 218 . . 16 LEU N . 51510 1 59 . 1 . 1 17 17 TYR H H 1 7.952 0.001 . 1 . . 27 . . 17 TYR H . 51510 1 60 . 1 . 1 17 17 TYR CA C 13 58.421 0.061 . 1 . . 307 . . 17 TYR CA . 51510 1 61 . 1 . 1 17 17 TYR CB C 13 37.843 0.017 . 1 . . 306 . . 17 TYR CB . 51510 1 62 . 1 . 1 17 17 TYR N N 15 119.564 0.006 . 1 . . 28 . . 17 TYR N . 51510 1 63 . 1 . 1 18 18 PHE H H 1 7.926 0.002 . 1 . . 77 . . 18 PHE H . 51510 1 64 . 1 . 1 18 18 PHE CA C 13 57.369 0.009 . 1 . . 297 . . 18 PHE CA . 51510 1 65 . 1 . 1 18 18 PHE CB C 13 38.325 0.069 . 1 . . 296 . . 18 PHE CB . 51510 1 66 . 1 . 1 18 18 PHE N N 15 118.488 0.0 . 1 . . 78 . . 18 PHE N . 51510 1 67 . 1 . 1 19 19 GLN H H 1 8.061 0.001 . 1 . . 69 . . 19 GLN H . 51510 1 68 . 1 . 1 19 19 GLN CA C 13 55.928 0.021 . 1 . . 315 . . 19 GLN CA . 51510 1 69 . 1 . 1 19 19 GLN CB C 13 28.028 0.015 . 1 . . 314 . . 19 GLN CB . 51510 1 70 . 1 . 1 19 19 GLN N N 15 120.207 0.006 . 1 . . 70 . . 19 GLN N . 51510 1 71 . 1 . 1 20 20 HIS H H 1 8.271 0.003 . 1 . . 131 . . 20 HIS H . 51510 1 72 . 1 . 1 20 20 HIS CA C 13 54.778 . . 1 . . 273 . . 20 HIS CA . 51510 1 73 . 1 . 1 20 20 HIS CB C 13 27.804 . . 1 . . 272 . . 20 HIS CB . 51510 1 74 . 1 . 1 20 20 HIS N N 15 117.360 0.007 . 1 . . 132 . . 20 HIS N . 51510 1 75 . 1 . 1 56 56 THR H H 1 7.877 0.002 . 1 . . 85 . . 56 THR H . 51510 1 76 . 1 . 1 56 56 THR CA C 13 61.551 0.003 . 1 . . 250 . . 56 THR CA . 51510 1 77 . 1 . 1 56 56 THR CB C 13 69.294 0.045 . 1 . . 251 . . 56 THR CB . 51510 1 78 . 1 . 1 56 56 THR N N 15 114.322 0.026 . 1 . . 86 . . 56 THR N . 51510 1 79 . 1 . 1 57 57 LYS H H 1 8.214 0.001 . 1 . . 151 . . 57 LYS H . 51510 1 80 . 1 . 1 57 57 LYS CA C 13 55.699 0.015 . 1 . . 418 . . 57 LYS CA . 51510 1 81 . 1 . 1 57 57 LYS CB C 13 31.890 0.017 . 1 . . 417 . . 57 LYS CB . 51510 1 82 . 1 . 1 57 57 LYS N N 15 124.306 0.006 . 1 . . 152 . . 57 LYS N . 51510 1 83 . 1 . 1 58 58 LYS H H 1 8.276 0.0 . 1 . . 201 . . 58 LYS H . 51510 1 84 . 1 . 1 58 58 LYS CA C 13 55.922 0.006 . 1 . . 432 . . 58 LYS CA . 51510 1 85 . 1 . 1 58 58 LYS CB C 13 31.885 0.056 . 1 . . 376 . . 58 LYS CB . 51510 1 86 . 1 . 1 58 58 LYS N N 15 123.317 0.012 . 1 . . 202 . . 58 LYS N . 51510 1 87 . 1 . 1 59 59 SER H H 1 8.209 0.002 . 1 . . 191 . . 59 SER H . 51510 1 88 . 1 . 1 59 59 SER CA C 13 57.756 0.001 . 1 . . 270 . . 59 SER CA . 51510 1 89 . 1 . 1 59 59 SER CB C 13 63.436 0.003 . 1 . . 271 . . 59 SER CB . 51510 1 90 . 1 . 1 59 59 SER N N 15 117.055 0.029 . 1 . . 192 . . 59 SER N . 51510 1 91 . 1 . 1 60 60 ASP H H 1 8.228 0.0 . 1 . . 205 . . 60 ASP H . 51510 1 92 . 1 . 1 60 60 ASP CA C 13 52.993 0.021 . 1 . . 378 . . 60 ASP CA . 51510 1 93 . 1 . 1 60 60 ASP CB C 13 39.338 0.045 . 1 . . 377 . . 60 ASP CB . 51510 1 94 . 1 . 1 60 60 ASP N N 15 122.230 0.028 . 1 . . 206 . . 60 ASP N . 51510 1 95 . 1 . 1 66 66 ALA H H 1 8.098 0.0 . 1 . . 83 . . 66 ALA H . 51510 1 96 . 1 . 1 66 66 ALA CA C 13 51.959 0.032 . 1 . . 412 . . 66 ALA CA . 51510 1 97 . 1 . 1 66 66 ALA CB C 13 18.170 0.026 . 1 . . 411 . . 66 ALA CB . 51510 1 98 . 1 . 1 66 66 ALA N N 15 125.334 0.001 . 1 . . 84 . . 66 ALA N . 51510 1 99 . 1 . 1 67 67 VAL H H 1 7.884 0.003 . 1 . . 207 . . 67 VAL H . 51510 1 100 . 1 . 1 67 67 VAL CA C 13 61.916 0.02 . 1 . . 303 . . 67 VAL CA . 51510 1 101 . 1 . 1 67 67 VAL CB C 13 31.516 0.089 . 1 . . 302 . . 67 VAL CB . 51510 1 102 . 1 . 1 67 67 VAL N N 15 119.323 0.014 . 1 . . 208 . . 67 VAL N . 51510 1 103 . 1 . 1 68 68 HIS H H 1 8.394 0.002 . 1 . . 181 . . 68 HIS H . 51510 1 104 . 1 . 1 68 68 HIS CA C 13 54.563 0.025 . 1 . . 364 . . 68 HIS CA . 51510 1 105 . 1 . 1 68 68 HIS CB C 13 28.161 0.008 . 1 . . 363 . . 68 HIS CB . 51510 1 106 . 1 . 1 68 68 HIS N N 15 122.279 0.012 . 1 . . 182 . . 68 HIS N . 51510 1 107 . 1 . 1 69 69 LYS H H 1 8.233 0.002 . 1 . . 187 . . 69 LYS H . 51510 1 108 . 1 . 1 69 69 LYS CA C 13 55.884 0.029 . 1 . . 382 . . 69 LYS CA . 51510 1 109 . 1 . 1 69 69 LYS CB C 13 32.000 0.015 . 1 . . 381 . . 69 LYS CB . 51510 1 110 . 1 . 1 69 69 LYS N N 15 123.373 0.019 . 1 . . 188 . . 69 LYS N . 51510 1 111 . 1 . 1 70 70 LEU H H 1 8.191 0.002 . 1 . . 159 . . 70 LEU H . 51510 1 112 . 1 . 1 70 70 LEU CA C 13 54.514 0.046 . 1 . . 416 . . 70 LEU CA . 51510 1 113 . 1 . 1 70 70 LEU CB C 13 41.180 0.002 . 1 . . 415 . . 70 LEU CB . 51510 1 114 . 1 . 1 70 70 LEU N N 15 124.124 0.014 . 1 . . 160 . . 70 LEU N . 51510 1 115 . 1 . 1 71 71 ALA H H 1 8.178 0.002 . 1 . . 71 . . 71 ALA H . 51510 1 116 . 1 . 1 71 71 ALA CA C 13 51.787 0.026 . 1 . . 423 . . 71 ALA CA . 51510 1 117 . 1 . 1 71 71 ALA CB C 13 18.255 0.036 . 1 . . 421 . . 71 ALA CB . 51510 1 118 . 1 . 1 71 71 ALA N N 15 125.507 0.007 . 1 . . 72 . . 71 ALA N . 51510 1 119 . 1 . 1 72 72 LYS H H 1 8.090 0.003 . 1 . . 239 . . 72 LYS H . 51510 1 120 . 1 . 1 72 72 LYS CA C 13 55.641 0.038 . 1 . . 313 . . 72 LYS CA . 51510 1 121 . 1 . 1 72 72 LYS CB C 13 31.996 0.01 . 1 . . 312 . . 72 LYS CB . 51510 1 122 . 1 . 1 72 72 LYS N N 15 120.646 0.003 . 1 . . 240 . . 72 LYS N . 51510 1 123 . 1 . 1 73 73 SER H H 1 8.140 0.003 . 1 . . 13 . . 73 SER H . 51510 1 124 . 1 . 1 73 73 SER CA C 13 57.539 0.014 . 1 . . 276 . . 73 SER CA . 51510 1 125 . 1 . 1 73 73 SER CB C 13 63.462 0.048 . 1 . . 277 . . 73 SER CB . 51510 1 126 . 1 . 1 73 73 SER N N 15 117.491 0.032 . 1 . . 14 . . 73 SER N . 51510 1 127 . 1 . 1 74 74 ILE H H 1 8.062 0.004 . 1 . . 137 . . 74 ILE H . 51510 1 128 . 1 . 1 74 74 ILE CA C 13 58.142 . . 1 . . 404 . . 74 ILE CA . 51510 1 129 . 1 . 1 74 74 ILE CB C 13 37.427 . . 1 . . 403 . . 74 ILE CB . 51510 1 130 . 1 . 1 74 74 ILE N N 15 124.512 0.04 . 1 . . 138 . . 74 ILE N . 51510 1 131 . 1 . 1 81 81 THR H H 1 8.146 0.001 . 1 . . 73 . . 81 THR H . 51510 1 132 . 1 . 1 81 81 THR CA C 13 61.135 0.011 . 1 . . 298 . . 81 THR CA . 51510 1 133 . 1 . 1 81 81 THR CB C 13 69.226 0.019 . 1 . . 299 . . 81 THR CB . 51510 1 134 . 1 . 1 81 81 THR N N 15 119.047 0.004 . 1 . . 74 . . 81 THR N . 51510 1 135 . 1 . 1 82 82 VAL H H 1 8.136 0.002 . 1 . . 213 . . 82 VAL H . 51510 1 136 . 1 . 1 82 82 VAL CA C 13 61.378 0.014 . 1 . . 392 . . 82 VAL CA . 51510 1 137 . 1 . 1 82 82 VAL CB C 13 31.726 0.038 . 1 . . 391 . . 82 VAL CB . 51510 1 138 . 1 . 1 82 82 VAL N N 15 123.168 0.003 . 1 . . 214 . . 82 VAL N . 51510 1 139 . 1 . 1 83 83 SER H H 1 8.291 0.002 . 1 . . 101 . . 83 SER H . 51510 1 140 . 1 . 1 83 83 SER CA C 13 57.674 0.059 . 1 . . 324 . . 83 SER CA . 51510 1 141 . 1 . 1 83 83 SER CB C 13 63.606 0.005 . 1 . . 325 . . 83 SER CB . 51510 1 142 . 1 . 1 83 83 SER N N 15 120.020 0.012 . 1 . . 102 . . 83 SER N . 51510 1 143 . 1 . 1 84 84 ALA H H 1 8.333 0.001 . 1 . . 39 . . 84 ALA H . 51510 1 144 . 1 . 1 84 84 ALA CA C 13 52.144 0.039 . 1 . . 427 . . 84 ALA CA . 51510 1 145 . 1 . 1 84 84 ALA CB C 13 18.190 0.01 . 1 . . 426 . . 84 ALA CB . 51510 1 146 . 1 . 1 84 84 ALA N N 15 126.610 0.028 . 1 . . 40 . . 84 ALA N . 51510 1 147 . 1 . 1 85 85 ASP H H 1 8.224 0.002 . 1 . . 47 . . 85 ASP H . 51510 1 148 . 1 . 1 85 85 ASP CA C 13 53.079 0.03 . 1 . . 289 . . 85 ASP CA . 51510 1 149 . 1 . 1 85 85 ASP CB C 13 38.851 0.042 . 1 . . 288 . . 85 ASP CB . 51510 1 150 . 1 . 1 85 85 ASP N N 15 118.682 0.007 . 1 . . 48 . . 85 ASP N . 51510 1 151 . 1 . 1 86 86 SER H H 1 8.148 0.002 . 1 . . 241 . . 86 SER H . 51510 1 152 . 1 . 1 86 86 SER CA C 13 58.172 0.013 . 1 . . 268 . . 86 SER CA . 51510 1 153 . 1 . 1 86 86 SER CB C 13 63.423 0.011 . 1 . . 269 . . 86 SER CB . 51510 1 154 . 1 . 1 86 86 SER N N 15 117.029 0.027 . 1 . . 242 . . 86 SER N . 51510 1 155 . 1 . 1 87 87 SER H H 1 8.187 0.001 . 1 . . 211 . . 87 SER H . 51510 1 156 . 1 . 1 87 87 SER CA C 13 58.044 . . 1 . . 274 . . 87 SER CA . 51510 1 157 . 1 . 1 87 87 SER CB C 13 63.364 0.049 . 1 . . 275 . . 87 SER CB . 51510 1 158 . 1 . 1 87 87 SER N N 15 117.541 0.013 . 1 . . 212 . . 87 SER N . 51510 1 159 . 1 . 1 88 88 ALA H H 1 8.105 0.001 . 1 . . 91 . . 88 ALA H . 51510 1 160 . 1 . 1 88 88 ALA CA C 13 52.324 0.027 . 1 . . 405 . . 88 ALA CA . 51510 1 161 . 1 . 1 88 88 ALA CB C 13 18.086 0.008 . 1 . . 406 . . 88 ALA CB . 51510 1 162 . 1 . 1 88 88 ALA N N 15 125.660 0.005 . 1 . . 92 . . 88 ALA N . 51510 1 163 . 1 . 1 89 89 SER H H 1 8.047 0.002 . 1 . . 75 . . 89 SER H . 51510 1 164 . 1 . 1 89 89 SER CA C 13 58.074 0.031 . 1 . . 252 . . 89 SER CA . 51510 1 165 . 1 . 1 89 89 SER CB C 13 63.349 0.027 . 1 . . 253 . . 89 SER CB . 51510 1 166 . 1 . 1 89 89 SER N N 15 114.612 0.023 . 1 . . 76 . . 89 SER N . 51510 1 167 . 1 . 1 90 90 MET H H 1 8.153 0.001 . 1 . . 231 . . 90 MET H . 51510 1 168 . 1 . 1 90 90 MET CA C 13 55.237 0.029 . 1 . . 386 . . 90 MET CA . 51510 1 169 . 1 . 1 90 90 MET CB C 13 31.783 0.059 . 1 . . 385 . . 90 MET CB . 51510 1 170 . 1 . 1 90 90 MET N N 15 122.015 0.004 . 1 . . 232 . . 90 MET N . 51510 1 171 . 1 . 1 91 91 ASN H H 1 8.254 0.002 . 1 . . 41 . . 91 ASN H . 51510 1 172 . 1 . 1 91 91 ASN CA C 13 52.825 0.013 . 1 . . 323 . . 91 ASN CA . 51510 1 173 . 1 . 1 91 91 ASN CB C 13 38.234 0.046 . 1 . . 322 . . 91 ASN CB . 51510 1 174 . 1 . 1 91 91 ASN N N 15 119.555 0.006 . 1 . . 42 . . 91 ASN N . 51510 1 175 . 1 . 1 92 92 SER H H 1 8.173 0.002 . 1 . . 45 . . 92 SER H . 51510 1 176 . 1 . 1 92 92 SER CA C 13 58.351 0.027 . 1 . . 262 . . 92 SER CA . 51510 1 177 . 1 . 1 92 92 SER CB C 13 63.372 0.081 . 1 . . 263 . . 92 SER CB . 51510 1 178 . 1 . 1 92 92 SER N N 15 116.454 0.026 . 1 . . 46 . . 92 SER N . 51510 1 179 . 1 . 1 93 93 GLY H H 1 8.327 0.001 . 1 . . 161 . . 93 GLY H . 51510 1 180 . 1 . 1 93 93 GLY CA C 13 44.811 0.014 . 1 . . 247 . . 93 GLY CA . 51510 1 181 . 1 . 1 93 93 GLY N N 15 110.902 0.025 . 1 . . 162 . . 93 GLY N . 51510 1 182 . 1 . 1 94 94 VAL H H 1 7.745 0.001 . 1 . . 63 . . 94 VAL H . 51510 1 183 . 1 . 1 94 94 VAL CA C 13 61.745 0.017 . 1 . . 305 . . 94 VAL CA . 51510 1 184 . 1 . 1 94 94 VAL CB C 13 31.552 0.064 . 1 . . 304 . . 94 VAL CB . 51510 1 185 . 1 . 1 94 94 VAL N N 15 119.442 0.025 . 1 . . 64 . . 94 VAL N . 51510 1 186 . 1 . 1 95 95 LEU CA C 13 54.476 0.02 . 1 . . 410 . . 95 LEU CA . 51510 1 187 . 1 . 1 95 95 LEU CB C 13 41.112 0.039 . 1 . . 409 . . 95 LEU CB . 51510 1 188 . 1 . 1 96 96 LEU H H 1 8.042 0.002 . 1 . . 167 . . 96 LEU H . 51510 1 189 . 1 . 1 96 96 LEU CA C 13 54.429 0.077 . 1 . . 396 . . 96 LEU CA . 51510 1 190 . 1 . 1 96 96 LEU CB C 13 41.147 0.068 . 1 . . 395 . . 96 LEU CB . 51510 1 191 . 1 . 1 96 96 LEU N N 15 123.685 0.009 . 1 . . 168 . . 96 LEU N . 51510 1 192 . 1 . 1 97 97 VAL H H 1 7.894 0.003 . 1 . . 157 . . 97 VAL H . 51510 1 193 . 1 . 1 97 97 VAL CA C 13 61.223 0.024 . 1 . . 337 . . 97 VAL CA . 51510 1 194 . 1 . 1 97 97 VAL CB C 13 31.729 0.033 . 1 . . 336 . . 97 VAL CB . 51510 1 195 . 1 . 1 97 97 VAL N N 15 121.480 0.018 . 1 . . 158 . . 97 VAL N . 51510 1 196 . 1 . 1 98 98 ARG H H 1 8.286 0.001 . 1 . . 51 . . 98 ARG H . 51510 1 197 . 1 . 1 98 98 ARG CA C 13 53.114 . . 1 . . 425 . . 98 ARG CA . 51510 1 198 . 1 . 1 98 98 ARG CB C 13 29.084 . . 1 . . 424 . . 98 ARG CB . 51510 1 199 . 1 . 1 98 98 ARG N N 15 126.222 0.023 . 1 . . 52 . . 98 ARG N . 51510 1 200 . 1 . 1 103 103 SER H H 1 8.202 0.002 . 1 . . 61 . . 103 SER H . 51510 1 201 . 1 . 1 103 103 SER CA C 13 57.667 0.06 . 1 . . 266 . . 103 SER CA . 51510 1 202 . 1 . 1 103 103 SER CB C 13 63.726 0.02 . 1 . . 267 . . 103 SER CB . 51510 1 203 . 1 . 1 103 103 SER N N 15 116.664 0.012 . 1 . . 62 . . 103 SER N . 51510 1 204 . 1 . 1 104 104 SER H H 1 8.344 0.001 . 1 . . 99 . . 104 SER H . 51510 1 205 . 1 . 1 104 104 SER CA C 13 57.676 0.089 . 1 . . 284 . . 104 SER CA . 51510 1 206 . 1 . 1 104 104 SER CB C 13 63.385 . . 1 . . 285 . . 104 SER CB . 51510 1 207 . 1 . 1 104 104 SER N N 15 118.185 0.003 . 1 . . 100 . . 104 SER N . 51510 1 208 . 1 . 1 105 105 SER H H 1 8.316 0.0 . 1 . . 149 . . 105 SER H . 51510 1 209 . 1 . 1 105 105 SER CA C 13 58.037 0.066 . 1 . . 280 . . 105 SER CA . 51510 1 210 . 1 . 1 105 105 SER CB C 13 63.446 0.044 . 1 . . 281 . . 105 SER CB . 51510 1 211 . 1 . 1 105 105 SER N N 15 118.052 0.013 . 1 . . 150 . . 105 SER N . 51510 1 212 . 1 . 1 106 106 GLY H H 1 8.238 0.001 . 1 . . 169 . . 106 GLY H . 51510 1 213 . 1 . 1 106 106 GLY CA C 13 44.590 0.028 . 1 . . 245 . . 106 GLY CA . 51510 1 214 . 1 . 1 106 106 GLY N N 15 110.866 0.023 . 1 . . 170 . . 106 GLY N . 51510 1 215 . 1 . 1 107 107 THR H H 1 7.916 0.0 . 1 . . 173 . . 107 THR H . 51510 1 216 . 1 . 1 107 107 THR CA C 13 59.247 . . 1 . . 434 . . 107 THR CA . 51510 1 217 . 1 . 1 107 107 THR CB C 13 69.076 . . 1 . . 435 . . 107 THR CB . 51510 1 218 . 1 . 1 107 107 THR N N 15 116.607 0.025 . 1 . . 174 . . 107 THR N . 51510 1 219 . 1 . 1 109 109 MET H H 1 8.324 0.003 . 1 . . 209 . . 109 MET H . 51510 1 220 . 1 . 1 109 109 MET CA C 13 55.257 0.053 . 1 . . 343 . . 109 MET CA . 51510 1 221 . 1 . 1 109 109 MET CB C 13 32.086 0.032 . 1 . . 342 . . 109 MET CB . 51510 1 222 . 1 . 1 109 109 MET N N 15 121.018 0.001 . 1 . . 210 . . 109 MET N . 51510 1 223 . 1 . 1 110 110 LEU H H 1 8.095 0.002 . 1 . . 221 . . 110 LEU H . 51510 1 224 . 1 . 1 110 110 LEU CA C 13 54.312 0.052 . 1 . . 390 . . 110 LEU CA . 51510 1 225 . 1 . 1 110 110 LEU CB C 13 41.124 0.034 . 1 . . 389 . . 110 LEU CB . 51510 1 226 . 1 . 1 110 110 LEU N N 15 123.116 0.001 . 1 . . 222 . . 110 LEU N . 51510 1 227 . 1 . 1 111 111 ALA H H 1 8.118 0.003 . 1 . . 103 . . 111 ALA H . 51510 1 228 . 1 . 1 111 111 ALA CA C 13 52.088 0.015 . 1 . . 414 . . 111 ALA CA . 51510 1 229 . 1 . 1 111 111 ALA CB C 13 18.231 0.018 . 1 . . 413 . . 111 ALA CB . 51510 1 230 . 1 . 1 111 111 ALA N N 15 124.762 0.023 . 1 . . 104 . . 111 ALA N . 51510 1 231 . 1 . 1 112 112 GLY H H 1 8.219 0.002 . 1 . . 215 . . 112 GLY H . 51510 1 232 . 1 . 1 112 112 GLY CA C 13 44.812 0.003 . 1 . . 243 . . 112 GLY CA . 51510 1 233 . 1 . 1 112 112 GLY N N 15 108.078 0.02 . 1 . . 216 . . 112 GLY N . 51510 1 234 . 1 . 1 113 113 VAL H H 1 7.800 0.001 . 1 . . 127 . . 113 VAL H . 51510 1 235 . 1 . 1 113 113 VAL CA C 13 61.800 . . 1 . . 301 . . 113 VAL CA . 51510 1 236 . 1 . 1 113 113 VAL CB C 13 31.563 . . 1 . . 300 . . 113 VAL CB . 51510 1 237 . 1 . 1 113 113 VAL N N 15 119.056 0.008 . 1 . . 128 . . 113 VAL N . 51510 1 238 . 1 . 1 115 115 GLU H H 1 8.282 0.002 . 1 . . 229 . . 115 GLU H . 51510 1 239 . 1 . 1 115 115 GLU CA C 13 55.701 0.034 . 1 . . 374 . . 115 GLU CA . 51510 1 240 . 1 . 1 115 115 GLU CB C 13 29.499 . . 1 . . 373 . . 115 GLU CB . 51510 1 241 . 1 . 1 115 115 GLU N N 15 122.957 0.023 . 1 . . 230 . . 115 GLU N . 51510 1 242 . 1 . 1 116 116 TYR H H 1 7.921 0.001 . 1 . . 109 . . 116 TYR H . 51510 1 243 . 1 . 1 116 116 TYR CA C 13 57.203 0.074 . 1 . . 309 . . 116 TYR CA . 51510 1 244 . 1 . 1 116 116 TYR CB C 13 37.942 0.081 . 1 . . 308 . . 116 TYR CB . 51510 1 245 . 1 . 1 116 116 TYR N N 15 119.942 0.006 . 1 . . 110 . . 116 TYR N . 51510 1 246 . 1 . 1 117 117 GLU H H 1 7.867 0.004 . 1 . . 199 . . 117 GLU H . 51510 1 247 . 1 . 1 117 117 GLU CA C 13 54.573 0.035 . 1 . . 335 . . 117 GLU CA . 51510 1 248 . 1 . 1 117 117 GLU CB C 13 28.408 0.018 . 1 . . 334 . . 117 GLU CB . 51510 1 249 . 1 . 1 117 117 GLU N N 15 121.142 0.032 . 1 . . 200 . . 117 GLU N . 51510 1 250 . 1 . 1 118 118 LEU H H 1 8.052 0.002 . 1 . . 139 . . 118 LEU H . 51510 1 251 . 1 . 1 118 118 LEU CA C 13 52.455 . . 1 . . 402 . . 118 LEU CA . 51510 1 252 . 1 . 1 118 118 LEU CB C 13 40.374 . . 1 . . 401 . . 118 LEU CB . 51510 1 253 . 1 . 1 118 118 LEU N N 15 124.382 0.024 . 1 . . 140 . . 118 LEU N . 51510 1 254 . 1 . 1 120 120 GLU H H 1 8.199 0.002 . 1 . . 5 . . 120 GLU H . 51510 1 255 . 1 . 1 120 120 GLU CA C 13 55.079 0.051 . 1 . . 319 . . 120 GLU CA . 51510 1 256 . 1 . 1 120 120 GLU CB C 13 28.199 0.057 . 1 . . 318 . . 120 GLU CB . 51510 1 257 . 1 . 1 120 120 GLU N N 15 119.869 0.014 . 1 . . 6 . . 120 GLU N . 51510 1 258 . 1 . 1 121 121 ASP H H 1 8.300 0.001 . 1 . . 147 . . 121 ASP H . 51510 1 259 . 1 . 1 121 121 ASP CA C 13 50.983 . . 1 . . 372 . . 121 ASP CA . 51510 1 260 . 1 . 1 121 121 ASP CB C 13 38.399 . . 1 . . 371 . . 121 ASP CB . 51510 1 261 . 1 . 1 121 121 ASP N N 15 121.721 0.023 . 1 . . 148 . . 121 ASP N . 51510 1 262 . 1 . 1 123 123 ARG H H 1 7.970 0.004 . 1 . . 111 . . 123 ARG H . 51510 1 263 . 1 . 1 123 123 ARG CA C 13 55.968 . . 1 . . 399 . . 123 ARG CA . 51510 1 264 . 1 . 1 123 123 ARG CB C 13 29.949 . . 1 . . 400 . . 123 ARG CB . 51510 1 265 . 1 . 1 123 123 ARG N N 15 124.716 0.003 . 1 . . 112 . . 123 ARG N . 51510 1 stop_ save_