data_51689 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51689 _Entry.Title ; Assignments of human CAPRIN1 residues 607-709 N623TN630T mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-08 _Entry.Accession_date 2022-11-08 _Entry.Last_release_date 2022-11-08 _Entry.Original_release_date 2022-11-08 _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 'Assignments of the N-H resonances of the C-terminal region of human CAPRIN1 residues 607 to 709 with N623TN630T mutations' _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 Yuki Toyama . . . . 51689 2 'Atul Kaushik' Rangadurai . . . . 51689 3 Lewis Kay . . . . 51689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 91 51689 '15N chemical shifts' 91 51689 '1H chemical shifts' 91 51689 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 . . 2022-11-10 . original BMRB . 51689 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51689 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36018482 _Citation.DOI 10.1007/s10858-022-00401-4 _Citation.Full_citation . _Citation.Title ; Measurement of 1Halpha transverse relaxation rates in proteins: application to solvent PREs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 76 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 137 _Citation.Page_last 152 _Citation.Year 2022 _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 Yuki Toyama Y. . . . 51689 1 2 'Atul Kaushik' Rangadurai A. K. . . 51689 1 3 Lewis Kay L. E. . . 51689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51689 _Assembly.ID 1 _Assembly.Name 'Caprin1 residues 607-709 N623TN630T' _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 Caprin1 1 $entity_1 . . yes native no no . . . 51689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51689 _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 ; SRGVSRGGSRGARGLMNGYR GPANGFRGGYDGYRPSFSNT PNSGYTQSQFSAPRDYSGYQ RDGYQQNFKRGSGQSGPRGA PRGRGGPPRPNRGMPQMNTQ QVN ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 607 SER . 51689 1 2 608 ARG . 51689 1 3 609 GLY . 51689 1 4 610 VAL . 51689 1 5 611 SER . 51689 1 6 612 ARG . 51689 1 7 613 GLY . 51689 1 8 614 GLY . 51689 1 9 615 SER . 51689 1 10 616 ARG . 51689 1 11 617 GLY . 51689 1 12 618 ALA . 51689 1 13 619 ARG . 51689 1 14 620 GLY . 51689 1 15 621 LEU . 51689 1 16 622 MET . 51689 1 17 623 THR . 51689 1 18 624 GLY . 51689 1 19 625 TYR . 51689 1 20 626 ARG . 51689 1 21 627 GLY . 51689 1 22 628 PRO . 51689 1 23 629 ALA . 51689 1 24 630 THR . 51689 1 25 631 GLY . 51689 1 26 632 PHE . 51689 1 27 633 ARG . 51689 1 28 634 GLY . 51689 1 29 635 GLY . 51689 1 30 636 TYR . 51689 1 31 637 ASP . 51689 1 32 638 GLY . 51689 1 33 639 TYR . 51689 1 34 640 ARG . 51689 1 35 641 PRO . 51689 1 36 642 SER . 51689 1 37 643 PHE . 51689 1 38 644 SER . 51689 1 39 645 ASN . 51689 1 40 646 THR . 51689 1 41 647 PRO . 51689 1 42 648 ASN . 51689 1 43 649 SER . 51689 1 44 650 GLY . 51689 1 45 651 TYR . 51689 1 46 652 THR . 51689 1 47 653 GLN . 51689 1 48 654 SER . 51689 1 49 655 GLN . 51689 1 50 656 PHE . 51689 1 51 657 SER . 51689 1 52 658 ALA . 51689 1 53 659 PRO . 51689 1 54 660 ARG . 51689 1 55 661 ASP . 51689 1 56 662 TYR . 51689 1 57 663 SER . 51689 1 58 664 GLY . 51689 1 59 665 TYR . 51689 1 60 666 GLN . 51689 1 61 667 ARG . 51689 1 62 668 ASP . 51689 1 63 669 GLY . 51689 1 64 670 TYR . 51689 1 65 671 GLN . 51689 1 66 672 GLN . 51689 1 67 673 ASN . 51689 1 68 674 PHE . 51689 1 69 675 LYS . 51689 1 70 676 ARG . 51689 1 71 677 GLY . 51689 1 72 678 SER . 51689 1 73 679 GLY . 51689 1 74 680 GLN . 51689 1 75 681 SER . 51689 1 76 682 GLY . 51689 1 77 683 PRO . 51689 1 78 684 ARG . 51689 1 79 685 GLY . 51689 1 80 686 ALA . 51689 1 81 687 PRO . 51689 1 82 688 ARG . 51689 1 83 689 GLY . 51689 1 84 690 ARG . 51689 1 85 691 GLY . 51689 1 86 692 GLY . 51689 1 87 693 PRO . 51689 1 88 694 PRO . 51689 1 89 695 ARG . 51689 1 90 696 PRO . 51689 1 91 697 ASN . 51689 1 92 698 ARG . 51689 1 93 699 GLY . 51689 1 94 700 MET . 51689 1 95 701 PRO . 51689 1 96 702 GLN . 51689 1 97 703 MET . 51689 1 98 704 ASN . 51689 1 99 705 THR . 51689 1 100 706 GLN . 51689 1 101 707 GLN . 51689 1 102 708 VAL . 51689 1 103 709 ASN . 51689 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 . SER 1 1 51689 1 . ARG 2 2 51689 1 . GLY 3 3 51689 1 . VAL 4 4 51689 1 . SER 5 5 51689 1 . ARG 6 6 51689 1 . GLY 7 7 51689 1 . GLY 8 8 51689 1 . SER 9 9 51689 1 . ARG 10 10 51689 1 . GLY 11 11 51689 1 . ALA 12 12 51689 1 . ARG 13 13 51689 1 . GLY 14 14 51689 1 . LEU 15 15 51689 1 . MET 16 16 51689 1 . THR 17 17 51689 1 . GLY 18 18 51689 1 . TYR 19 19 51689 1 . ARG 20 20 51689 1 . GLY 21 21 51689 1 . PRO 22 22 51689 1 . ALA 23 23 51689 1 . THR 24 24 51689 1 . GLY 25 25 51689 1 . PHE 26 26 51689 1 . ARG 27 27 51689 1 . GLY 28 28 51689 1 . GLY 29 29 51689 1 . TYR 30 30 51689 1 . ASP 31 31 51689 1 . GLY 32 32 51689 1 . TYR 33 33 51689 1 . ARG 34 34 51689 1 . PRO 35 35 51689 1 . SER 36 36 51689 1 . PHE 37 37 51689 1 . SER 38 38 51689 1 . ASN 39 39 51689 1 . THR 40 40 51689 1 . PRO 41 41 51689 1 . ASN 42 42 51689 1 . SER 43 43 51689 1 . GLY 44 44 51689 1 . TYR 45 45 51689 1 . THR 46 46 51689 1 . GLN 47 47 51689 1 . SER 48 48 51689 1 . GLN 49 49 51689 1 . PHE 50 50 51689 1 . SER 51 51 51689 1 . ALA 52 52 51689 1 . PRO 53 53 51689 1 . ARG 54 54 51689 1 . ASP 55 55 51689 1 . TYR 56 56 51689 1 . SER 57 57 51689 1 . GLY 58 58 51689 1 . TYR 59 59 51689 1 . GLN 60 60 51689 1 . ARG 61 61 51689 1 . ASP 62 62 51689 1 . GLY 63 63 51689 1 . TYR 64 64 51689 1 . GLN 65 65 51689 1 . GLN 66 66 51689 1 . ASN 67 67 51689 1 . PHE 68 68 51689 1 . LYS 69 69 51689 1 . ARG 70 70 51689 1 . GLY 71 71 51689 1 . SER 72 72 51689 1 . GLY 73 73 51689 1 . GLN 74 74 51689 1 . SER 75 75 51689 1 . GLY 76 76 51689 1 . PRO 77 77 51689 1 . ARG 78 78 51689 1 . GLY 79 79 51689 1 . ALA 80 80 51689 1 . PRO 81 81 51689 1 . ARG 82 82 51689 1 . GLY 83 83 51689 1 . ARG 84 84 51689 1 . GLY 85 85 51689 1 . GLY 86 86 51689 1 . PRO 87 87 51689 1 . PRO 88 88 51689 1 . ARG 89 89 51689 1 . PRO 90 90 51689 1 . ASN 91 91 51689 1 . ARG 92 92 51689 1 . GLY 93 93 51689 1 . MET 94 94 51689 1 . PRO 95 95 51689 1 . GLN 96 96 51689 1 . MET 97 97 51689 1 . ASN 98 98 51689 1 . THR 99 99 51689 1 . GLN 100 100 51689 1 . GLN 101 101 51689 1 . VAL 102 102 51689 1 . ASN 103 103 51689 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 51689 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51689 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 51689 _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 BL21 . . plasmid . . petSUMO . . . 51689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51689 _Sample.ID 1 _Sample.Name 'Caprin1 residues 607-709 N623TN630T' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '97% H2O/3% 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 'Caprin1 residues 607-709 N623TN630T' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51689 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 51689 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 51689 _Sample_condition_list.ID 1 _Sample_condition_list.Name RT _Sample_condition_list.Details '300uM Caprin1 residues 607-709 N623TN630T, 25 mM MES, pH 5.5' 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 pH 5.5 . pH 51689 1 pressure 1 . atm 51689 1 temperature 298 . K 51689 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51689 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version 10.9 _Software.DOI . _Software.Details 'Rev 2021.258.11.26' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51689 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51689 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51689 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51689 _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_2 . . . . . . . . . . . . . . . . . 51689 1 2 '3D HNN' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51689 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51689 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 51689 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '13C-15N-1H assignments' _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 DSS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 51689 1 H 1 TSP protons . . . . ppm -0.088 external direct 1 . . . . . 51689 1 N 15 TSP nitrogen . . . . ppm -0.088 external direct 1 . . . . . 51689 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 51689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Caprin_13C15N1H _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' . . . 51689 1 2 '3D HNN' . . . 51689 1 3 '3D HNCO' . . . 51689 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 . . 51689 1 2 $software_2 . . 51689 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 ARG C C 13 176.590 0 . 1 . . . . . 608 ARG CO . 51689 1 2 . 1 . 1 3 3 GLY H H 1 8.499 0 . 1 . . . . . 609 GLY H . 51689 1 3 . 1 . 1 3 3 GLY C C 13 173.867 0 . 1 . . . . . 609 GLY CO . 51689 1 4 . 1 . 1 3 3 GLY N N 15 110.712 0 . 1 . . . . . 609 GLY N . 51689 1 5 . 1 . 1 4 4 VAL H H 1 8.110 0 . 1 . . . . . 610 VAL H . 51689 1 6 . 1 . 1 4 4 VAL C C 13 176.341 0 . 1 . . . . . 610 VAL CO . 51689 1 7 . 1 . 1 4 4 VAL N N 15 119.409 0 . 1 . . . . . 610 VAL N . 51689 1 8 . 1 . 1 5 5 SER H H 1 8.496 0 . 1 . . . . . 611 SER H . 51689 1 9 . 1 . 1 5 5 SER C C 13 174.641 0 . 1 . . . . . 611 SER CO . 51689 1 10 . 1 . 1 5 5 SER N N 15 120.209 0 . 1 . . . . . 611 SER N . 51689 1 11 . 1 . 1 6 6 ARG H H 1 8.548 0 . 1 . . . . . 612 ARG H . 51689 1 12 . 1 . 1 6 6 ARG C C 13 176.815 0 . 1 . . . . . 612 ARG CO . 51689 1 13 . 1 . 1 6 6 ARG N N 15 123.823 0 . 1 . . . . . 612 ARG N . 51689 1 14 . 1 . 1 7 7 GLY H H 1 8.463 0 . 1 . . . . . 613 GLY H . 51689 1 15 . 1 . 1 7 7 GLY C C 13 174.650 0 . 1 . . . . . 613 GLY CO . 51689 1 16 . 1 . 1 7 7 GLY N N 15 109.973 0 . 1 . . . . . 613 GLY N . 51689 1 17 . 1 . 1 8 8 GLY H H 1 8.305 0 . 1 . . . . . 614 GLY H . 51689 1 18 . 1 . 1 8 8 GLY C C 13 174.369 0 . 1 . . . . . 614 GLY CO . 51689 1 19 . 1 . 1 8 8 GLY N N 15 108.767 0 . 1 . . . . . 614 GLY N . 51689 1 20 . 1 . 1 9 9 SER H H 1 8.326 0 . 1 . . . . . 615 SER H . 51689 1 21 . 1 . 1 9 9 SER C C 13 174.922 0 . 1 . . . . . 615 SER CO . 51689 1 22 . 1 . 1 9 9 SER N N 15 115.716 0 . 1 . . . . . 615 SER N . 51689 1 23 . 1 . 1 10 10 ARG H H 1 8.513 0 . 1 . . . . . 616 ARG H . 51689 1 24 . 1 . 1 10 10 ARG C C 13 176.899 0 . 1 . . . . . 616 ARG CO . 51689 1 25 . 1 . 1 10 10 ARG N N 15 122.995 0 . 1 . . . . . 616 ARG N . 51689 1 26 . 1 . 1 11 11 GLY H H 1 8.361 0 . 1 . . . . . 617 GLY H . 51689 1 27 . 1 . 1 11 11 GLY C C 13 173.891 0 . 1 . . . . . 617 GLY CO . 51689 1 28 . 1 . 1 11 11 GLY N N 15 109.678 0 . 1 . . . . . 617 GLY N . 51689 1 29 . 1 . 1 12 12 ALA H H 1 8.189 0 . 1 . . . . . 618 ALA H . 51689 1 30 . 1 . 1 12 12 ALA C C 13 177.987 0 . 1 . . . . . 618 ALA CO . 51689 1 31 . 1 . 1 12 12 ALA N N 15 123.944 0 . 1 . . . . . 618 ALA N . 51689 1 32 . 1 . 1 13 13 ARG H H 1 8.370 0 . 1 . . . . . 619 ARG H . 51689 1 33 . 1 . 1 13 13 ARG C C 13 176.901 0 . 1 . . . . . 619 ARG CO . 51689 1 34 . 1 . 1 13 13 ARG N N 15 120.076 0 . 1 . . . . . 619 ARG N . 51689 1 35 . 1 . 1 14 14 GLY H H 1 8.332 0 . 1 . . . . . 620 GLY H . 51689 1 36 . 1 . 1 14 14 GLY C C 13 173.962 0 . 1 . . . . . 620 GLY CO . 51689 1 37 . 1 . 1 14 14 GLY N N 15 109.467 0 . 1 . . . . . 620 GLY N . 51689 1 38 . 1 . 1 15 15 LEU H H 1 8.100 0 . 1 . . . . . 621 LEU H . 51689 1 39 . 1 . 1 15 15 LEU C C 13 177.611 0 . 1 . . . . . 621 LEU CO . 51689 1 40 . 1 . 1 15 15 LEU N N 15 121.525 0 . 1 . . . . . 621 LEU N . 51689 1 41 . 1 . 1 16 16 MET H H 1 8.464 0 . 1 . . . . . 622 MET H . 51689 1 42 . 1 . 1 16 16 MET C C 13 176.430 0 . 1 . . . . . 622 MET CO . 51689 1 43 . 1 . 1 16 16 MET N N 15 121.146 0 . 1 . . . . . 622 MET N . 51689 1 44 . 1 . 1 17 17 THR H H 1 8.096 0 . 1 . . . . . 623 THR H . 51689 1 45 . 1 . 1 17 17 THR C C 13 175.023 0 . 1 . . . . . 623 THR CO . 51689 1 46 . 1 . 1 17 17 THR N N 15 114.955 0 . 1 . . . . . 623 THR N . 51689 1 47 . 1 . 1 18 18 GLY H H 1 8.423 0 . 1 . . . . . 624 GLY H . 51689 1 48 . 1 . 1 18 18 GLY C C 13 173.688 0 . 1 . . . . . 624 GLY CO . 51689 1 49 . 1 . 1 18 18 GLY N N 15 111.067 0 . 1 . . . . . 624 GLY N . 51689 1 50 . 1 . 1 19 19 TYR H H 1 8.117 0 . 1 . . . . . 625 TYR H . 51689 1 51 . 1 . 1 19 19 TYR C C 13 175.754 0 . 1 . . . . . 625 TYR CO . 51689 1 52 . 1 . 1 19 19 TYR N N 15 120.912 0 . 1 . . . . . 625 TYR N . 51689 1 53 . 1 . 1 20 20 ARG H H 1 8.228 0 . 1 . . . . . 626 ARG H . 51689 1 54 . 1 . 1 20 20 ARG C C 13 175.566 0 . 1 . . . . . 626 ARG CO . 51689 1 55 . 1 . 1 20 20 ARG N N 15 125.541 0 . 1 . . . . . 626 ARG N . 51689 1 56 . 1 . 1 21 21 GLY H H 1 7.293 0 . 1 . . . . . 627 GLY H . 51689 1 57 . 1 . 1 21 21 GLY N N 15 109.137 0 . 1 . . . . . 627 GLY N . 51689 1 58 . 1 . 1 22 22 PRO C C 13 177.175 0 . 1 . . . . . 628 PRO CO . 51689 1 59 . 1 . 1 23 23 ALA H H 1 8.543 0 . 1 . . . . . 629 ALA H . 51689 1 60 . 1 . 1 23 23 ALA C C 13 178.043 0 . 1 . . . . . 629 ALA CO . 51689 1 61 . 1 . 1 23 23 ALA N N 15 124.472 0 . 1 . . . . . 629 ALA N . 51689 1 62 . 1 . 1 24 24 THR H H 1 8.012 0 . 1 . . . . . 630 THR H . 51689 1 63 . 1 . 1 24 24 THR C C 13 175.129 0 . 1 . . . . . 630 THR CO . 51689 1 64 . 1 . 1 24 24 THR N N 15 112.094 0 . 1 . . . . . 630 THR N . 51689 1 65 . 1 . 1 25 25 GLY H H 1 8.289 0 . 1 . . . . . 631 GLY H . 51689 1 66 . 1 . 1 25 25 GLY C C 13 173.778 0 . 1 . . . . . 631 GLY CO . 51689 1 67 . 1 . 1 25 25 GLY N N 15 110.446 0 . 1 . . . . . 631 GLY N . 51689 1 68 . 1 . 1 26 26 PHE H H 1 8.131 0 . 1 . . . . . 632 PHE H . 51689 1 69 . 1 . 1 26 26 PHE C C 13 175.938 0 . 1 . . . . . 632 PHE CO . 51689 1 70 . 1 . 1 26 26 PHE N N 15 120.416 0 . 1 . . . . . 632 PHE N . 51689 1 71 . 1 . 1 27 27 ARG H H 1 8.369 0 . 1 . . . . . 633 ARG H . 51689 1 72 . 1 . 1 27 27 ARG C C 13 176.248 0 . 1 . . . . . 633 ARG CO . 51689 1 73 . 1 . 1 27 27 ARG N N 15 123.997 0 . 1 . . . . . 633 ARG N . 51689 1 74 . 1 . 1 28 28 GLY H H 1 7.804 0 . 1 . . . . . 634 GLY H . 51689 1 75 . 1 . 1 28 28 GLY C C 13 174.296 0 . 1 . . . . . 634 GLY CO . 51689 1 76 . 1 . 1 28 28 GLY N N 15 109.171 0 . 1 . . . . . 634 GLY N . 51689 1 77 . 1 . 1 29 29 GLY H H 1 8.182 0 . 1 . . . . . 635 GLY H . 51689 1 78 . 1 . 1 29 29 GLY C C 13 173.889 0 . 1 . . . . . 635 GLY CO . 51689 1 79 . 1 . 1 29 29 GLY N N 15 108.448 0 . 1 . . . . . 635 GLY N . 51689 1 80 . 1 . 1 30 30 TYR H H 1 8.094 0 . 1 . . . . . 636 TYR H . 51689 1 81 . 1 . 1 30 30 TYR C C 13 175.623 0 . 1 . . . . . 636 TYR CO . 51689 1 82 . 1 . 1 30 30 TYR N N 15 119.968 0 . 1 . . . . . 636 TYR N . 51689 1 83 . 1 . 1 31 31 ASP H H 1 8.344 0 . 1 . . . . . 637 ASP H . 51689 1 84 . 1 . 1 31 31 ASP C C 13 176.385 0 . 1 . . . . . 637 ASP CO . 51689 1 85 . 1 . 1 31 31 ASP N N 15 122.582 0 . 1 . . . . . 637 ASP N . 51689 1 86 . 1 . 1 32 32 GLY H H 1 7.746 0 . 1 . . . . . 638 GLY H . 51689 1 87 . 1 . 1 32 32 GLY C C 13 173.671 0 . 1 . . . . . 638 GLY CO . 51689 1 88 . 1 . 1 32 32 GLY N N 15 108.487 0 . 1 . . . . . 638 GLY N . 51689 1 89 . 1 . 1 33 33 TYR H H 1 8.035 0 . 1 . . . . . 639 TYR H . 51689 1 90 . 1 . 1 33 33 TYR C C 13 175.319 0 . 1 . . . . . 639 TYR CO . 51689 1 91 . 1 . 1 33 33 TYR N N 15 120.532 0 . 1 . . . . . 639 TYR N . 51689 1 92 . 1 . 1 34 34 ARG H H 1 7.981 0 . 1 . . . . . 640 ARG H . 51689 1 93 . 1 . 1 34 34 ARG N N 15 125.470 0 . 1 . . . . . 640 ARG N . 51689 1 94 . 1 . 1 35 35 PRO C C 13 176.663 0 . 1 . . . . . 641 PRO CO . 51689 1 95 . 1 . 1 36 36 SER H H 1 8.259 0 . 1 . . . . . 642 SER H . 51689 1 96 . 1 . 1 36 36 SER C C 13 174.246 0 . 1 . . . . . 642 SER CO . 51689 1 97 . 1 . 1 36 36 SER N N 15 115.510 0 . 1 . . . . . 642 SER N . 51689 1 98 . 1 . 1 37 37 PHE H H 1 8.200 0 . 1 . . . . . 643 PHE H . 51689 1 99 . 1 . 1 37 37 PHE C C 13 175.649 0 . 1 . . . . . 643 PHE CO . 51689 1 100 . 1 . 1 37 37 PHE N N 15 121.737 0 . 1 . . . . . 643 PHE N . 51689 1 101 . 1 . 1 38 38 SER H H 1 8.191 0 . 1 . . . . . 644 SER H . 51689 1 102 . 1 . 1 38 38 SER C C 13 173.996 0 . 1 . . . . . 644 SER CO . 51689 1 103 . 1 . 1 38 38 SER N N 15 116.693 0 . 1 . . . . . 644 SER N . 51689 1 104 . 1 . 1 39 39 ASN H H 1 8.417 0 . 1 . . . . . 645 ASN H . 51689 1 105 . 1 . 1 39 39 ASN C C 13 174.931 0 . 1 . . . . . 645 ASN CO . 51689 1 106 . 1 . 1 39 39 ASN N N 15 120.931 0 . 1 . . . . . 645 ASN N . 51689 1 107 . 1 . 1 40 40 THR H H 1 8.103 0 . 1 . . . . . 646 THR H . 51689 1 108 . 1 . 1 40 40 THR N N 15 116.236 0 . 1 . . . . . 646 THR N . 51689 1 109 . 1 . 1 41 41 PRO C C 13 176.800 0 . 1 . . . . . 647 PRO CO . 51689 1 110 . 1 . 1 42 42 ASN H H 1 8.540 0 . 1 . . . . . 648 ASN H . 51689 1 111 . 1 . 1 42 42 ASN C C 13 175.381 0 . 1 . . . . . 648 ASN CO . 51689 1 112 . 1 . 1 42 42 ASN N N 15 118.597 0 . 1 . . . . . 648 ASN N . 51689 1 113 . 1 . 1 43 43 SER H H 1 8.256 0 . 1 . . . . . 649 SER H . 51689 1 114 . 1 . 1 43 43 SER C C 13 174.992 0 . 1 . . . . . 649 SER CO . 51689 1 115 . 1 . 1 43 43 SER N N 15 115.892 0 . 1 . . . . . 649 SER N . 51689 1 116 . 1 . 1 44 44 GLY H H 1 8.407 0 . 1 . . . . . 650 GLY H . 51689 1 117 . 1 . 1 44 44 GLY C C 13 173.936 0 . 1 . . . . . 650 GLY CO . 51689 1 118 . 1 . 1 44 44 GLY N N 15 110.316 0 . 1 . . . . . 650 GLY N . 51689 1 119 . 1 . 1 45 45 TYR H H 1 8.044 0 . 1 . . . . . 651 TYR H . 51689 1 120 . 1 . 1 45 45 TYR C C 13 176.149 0 . 1 . . . . . 651 TYR CO . 51689 1 121 . 1 . 1 45 45 TYR N N 15 120.227 0 . 1 . . . . . 651 TYR N . 51689 1 122 . 1 . 1 46 46 THR H H 1 8.079 0 . 1 . . . . . 652 THR H . 51689 1 123 . 1 . 1 46 46 THR C C 13 174.272 0 . 1 . . . . . 652 THR CO . 51689 1 124 . 1 . 1 46 46 THR N N 15 116.401 0 . 1 . . . . . 652 THR N . 51689 1 125 . 1 . 1 47 47 GLN H H 1 8.346 0 . 1 . . . . . 653 GLN H . 51689 1 126 . 1 . 1 47 47 GLN C C 13 176.117 0 . 1 . . . . . 653 GLN CO . 51689 1 127 . 1 . 1 47 47 GLN N N 15 122.659 0 . 1 . . . . . 653 GLN N . 51689 1 128 . 1 . 1 48 48 SER H H 1 8.335 0 . 1 . . . . . 654 SER H . 51689 1 129 . 1 . 1 48 48 SER C C 13 174.644 0 . 1 . . . . . 654 SER CO . 51689 1 130 . 1 . 1 48 48 SER N N 15 116.931 0 . 1 . . . . . 654 SER N . 51689 1 131 . 1 . 1 49 49 GLN H H 1 8.351 0 . 1 . . . . . 655 GLN H . 51689 1 132 . 1 . 1 49 49 GLN C C 13 175.656 0 . 1 . . . . . 655 GLN CO . 51689 1 133 . 1 . 1 49 49 GLN N N 15 121.880 0 . 1 . . . . . 655 GLN N . 51689 1 134 . 1 . 1 50 50 PHE H H 1 8.172 0 . 1 . . . . . 656 PHE H . 51689 1 135 . 1 . 1 50 50 PHE C C 13 175.588 0 . 1 . . . . . 656 PHE CO . 51689 1 136 . 1 . 1 50 50 PHE N N 15 120.553 0 . 1 . . . . . 656 PHE N . 51689 1 137 . 1 . 1 51 51 SER H H 1 8.069 0 . 1 . . . . . 657 SER H . 51689 1 138 . 1 . 1 51 51 SER C C 13 173.328 0 . 1 . . . . . 657 SER CO . 51689 1 139 . 1 . 1 51 51 SER N N 15 117.473 0 . 1 . . . . . 657 SER N . 51689 1 140 . 1 . 1 52 52 ALA H H 1 8.207 0 . 1 . . . . . 658 ALA H . 51689 1 141 . 1 . 1 52 52 ALA N N 15 127.139 0 . 1 . . . . . 658 ALA N . 51689 1 142 . 1 . 1 53 53 PRO C C 13 176.945 0 . 1 . . . . . 659 PRO CO . 51689 1 143 . 1 . 1 54 54 ARG H H 1 8.360 0 . 1 . . . . . 660 ARG H . 51689 1 144 . 1 . 1 54 54 ARG C C 13 175.684 0 . 1 . . . . . 660 ARG CO . 51689 1 145 . 1 . 1 54 54 ARG N N 15 120.899 0 . 1 . . . . . 660 ARG N . 51689 1 146 . 1 . 1 55 55 ASP H H 1 8.237 0 . 1 . . . . . 661 ASP H . 51689 1 147 . 1 . 1 55 55 ASP C C 13 176.028 0 . 1 . . . . . 661 ASP CO . 51689 1 148 . 1 . 1 55 55 ASP N N 15 120.611 0 . 1 . . . . . 661 ASP N . 51689 1 149 . 1 . 1 56 56 TYR H H 1 8.251 0 . 1 . . . . . 662 TYR H . 51689 1 150 . 1 . 1 56 56 TYR C C 13 176.216 0 . 1 . . . . . 662 TYR CO . 51689 1 151 . 1 . 1 56 56 TYR N N 15 121.636 0 . 1 . . . . . 662 TYR N . 51689 1 152 . 1 . 1 57 57 SER H H 1 8.363 0 . 1 . . . . . 663 SER H . 51689 1 153 . 1 . 1 57 57 SER C C 13 175.094 0 . 1 . . . . . 663 SER CO . 51689 1 154 . 1 . 1 57 57 SER N N 15 117.778 0 . 1 . . . . . 663 SER N . 51689 1 155 . 1 . 1 58 58 GLY H H 1 7.991 0 . 1 . . . . . 664 GLY H . 51689 1 156 . 1 . 1 58 58 GLY C C 13 173.948 0 . 1 . . . . . 664 GLY CO . 51689 1 157 . 1 . 1 58 58 GLY N N 15 110.121 0 . 1 . . . . . 664 GLY N . 51689 1 158 . 1 . 1 59 59 TYR H H 1 7.931 0 . 1 . . . . . 665 TYR H . 51689 1 159 . 1 . 1 59 59 TYR C C 13 175.839 0 . 1 . . . . . 665 TYR CO . 51689 1 160 . 1 . 1 59 59 TYR N N 15 119.987 0 . 1 . . . . . 665 TYR N . 51689 1 161 . 1 . 1 60 60 GLN H H 1 8.230 0 . 1 . . . . . 666 GLN H . 51689 1 162 . 1 . 1 60 60 GLN C C 13 175.746 0 . 1 . . . . . 666 GLN CO . 51689 1 163 . 1 . 1 60 60 GLN N N 15 122.124 0 . 1 . . . . . 666 GLN N . 51689 1 164 . 1 . 1 61 61 ARG H H 1 8.252 0 . 1 . . . . . 667 ARG H . 51689 1 165 . 1 . 1 61 61 ARG C C 13 176.137 0 . 1 . . . . . 667 ARG CO . 51689 1 166 . 1 . 1 61 61 ARG N N 15 122.208 0 . 1 . . . . . 667 ARG N . 51689 1 167 . 1 . 1 62 62 ASP H H 1 8.345 0 . 1 . . . . . 668 ASP H . 51689 1 168 . 1 . 1 62 62 ASP C C 13 176.730 0 . 1 . . . . . 668 ASP CO . 51689 1 169 . 1 . 1 62 62 ASP N N 15 120.598 0 . 1 . . . . . 668 ASP N . 51689 1 170 . 1 . 1 63 63 GLY H H 1 8.288 0 . 1 . . . . . 669 GLY H . 51689 1 171 . 1 . 1 63 63 GLY C C 13 174.299 0 . 1 . . . . . 669 GLY CO . 51689 1 172 . 1 . 1 63 63 GLY N N 15 108.927 0 . 1 . . . . . 669 GLY N . 51689 1 173 . 1 . 1 64 64 TYR H H 1 8.074 0 . 1 . . . . . 670 TYR H . 51689 1 174 . 1 . 1 64 64 TYR C C 13 176.067 0 . 1 . . . . . 670 TYR CO . 51689 1 175 . 1 . 1 64 64 TYR N N 15 120.208 0 . 1 . . . . . 670 TYR N . 51689 1 176 . 1 . 1 65 65 GLN H H 1 8.267 0 . 1 . . . . . 671 GLN H . 51689 1 177 . 1 . 1 65 65 GLN C C 13 175.886 0 . 1 . . . . . 671 GLN CO . 51689 1 178 . 1 . 1 65 65 GLN N N 15 121.609 0 . 1 . . . . . 671 GLN N . 51689 1 179 . 1 . 1 66 66 GLN H H 1 8.281 0 . 1 . . . . . 672 GLN H . 51689 1 180 . 1 . 1 66 66 GLN C C 13 175.742 0 . 1 . . . . . 672 GLN CO . 51689 1 181 . 1 . 1 66 66 GLN N N 15 120.629 0 . 1 . . . . . 672 GLN N . 51689 1 182 . 1 . 1 67 67 ASN H H 1 8.321 0 . 1 . . . . . 673 ASN H . 51689 1 183 . 1 . 1 67 67 ASN C C 13 174.950 0 . 1 . . . . . 673 ASN CO . 51689 1 184 . 1 . 1 67 67 ASN N N 15 118.917 0 . 1 . . . . . 673 ASN N . 51689 1 185 . 1 . 1 68 68 PHE H H 1 8.070 0 . 1 . . . . . 674 PHE H . 51689 1 186 . 1 . 1 68 68 PHE C C 13 175.599 0 . 1 . . . . . 674 PHE CO . 51689 1 187 . 1 . 1 68 68 PHE N N 15 120.453 0 . 1 . . . . . 674 PHE N . 51689 1 188 . 1 . 1 69 69 LYS H H 1 8.181 0 . 1 . . . . . 675 LYS H . 51689 1 189 . 1 . 1 69 69 LYS C C 13 176.237 0 . 1 . . . . . 675 LYS CO . 51689 1 190 . 1 . 1 69 69 LYS N N 15 122.841 0 . 1 . . . . . 675 LYS N . 51689 1 191 . 1 . 1 70 70 ARG H H 1 8.282 0 . 1 . . . . . 676 ARG H . 51689 1 192 . 1 . 1 70 70 ARG C C 13 176.873 0 . 1 . . . . . 676 ARG CO . 51689 1 193 . 1 . 1 70 70 ARG N N 15 122.609 0 . 1 . . . . . 676 ARG N . 51689 1 194 . 1 . 1 71 71 GLY H H 1 8.457 0 . 1 . . . . . 677 GLY H . 51689 1 195 . 1 . 1 71 71 GLY C C 13 174.266 0 . 1 . . . . . 677 GLY CO . 51689 1 196 . 1 . 1 71 71 GLY N N 15 110.403 0 . 1 . . . . . 677 GLY N . 51689 1 197 . 1 . 1 72 72 SER H H 1 8.326 0 . 1 . . . . . 678 SER H . 51689 1 198 . 1 . 1 72 72 SER C C 13 175.294 0 . 1 . . . . . 678 SER CO . 51689 1 199 . 1 . 1 72 72 SER N N 15 115.683 0 . 1 . . . . . 678 SER N . 51689 1 200 . 1 . 1 73 73 GLY H H 1 8.547 0 . 1 . . . . . 679 GLY H . 51689 1 201 . 1 . 1 73 73 GLY C C 13 174.212 0 . 1 . . . . . 679 GLY CO . 51689 1 202 . 1 . 1 73 73 GLY N N 15 110.822 0 . 1 . . . . . 679 GLY N . 51689 1 203 . 1 . 1 74 74 GLN H H 1 8.251 0 . 1 . . . . . 680 GLN H . 51689 1 204 . 1 . 1 74 74 GLN C C 13 176.064 0 . 1 . . . . . 680 GLN CO . 51689 1 205 . 1 . 1 74 74 GLN N N 15 119.844 0 . 1 . . . . . 680 GLN N . 51689 1 206 . 1 . 1 75 75 SER H H 1 8.417 0 . 1 . . . . . 681 SER H . 51689 1 207 . 1 . 1 75 75 SER C C 13 174.585 0 . 1 . . . . . 681 SER CO . 51689 1 208 . 1 . 1 75 75 SER N N 15 117.225 0 . 1 . . . . . 681 SER N . 51689 1 209 . 1 . 1 76 76 GLY H H 1 8.275 0 . 1 . . . . . 682 GLY H . 51689 1 210 . 1 . 1 76 76 GLY N N 15 110.571 0 . 1 . . . . . 682 GLY N . 51689 1 211 . 1 . 1 77 77 PRO C C 13 177.370 0 . 1 . . . . . 683 PRO CO . 51689 1 212 . 1 . 1 78 78 ARG H H 1 8.526 0 . 1 . . . . . 684 ARG H . 51689 1 213 . 1 . 1 78 78 ARG C C 13 176.897 0 . 1 . . . . . 684 ARG CO . 51689 1 214 . 1 . 1 78 78 ARG N N 15 121.334 0 . 1 . . . . . 684 ARG N . 51689 1 215 . 1 . 1 79 79 GLY H H 1 8.334 0 . 1 . . . . . 685 GLY H . 51689 1 216 . 1 . 1 79 79 GLY C C 13 173.293 0 . 1 . . . . . 685 GLY CO . 51689 1 217 . 1 . 1 79 79 GLY N N 15 109.834 0 . 1 . . . . . 685 GLY N . 51689 1 218 . 1 . 1 80 80 ALA H H 1 8.140 0 . 1 . . . . . 686 ALA H . 51689 1 219 . 1 . 1 80 80 ALA N N 15 124.794 0 . 1 . . . . . 686 ALA N . 51689 1 220 . 1 . 1 81 81 PRO C C 13 177.034 0 . 1 . . . . . 687 PRO CO . 51689 1 221 . 1 . 1 82 82 ARG H H 1 8.491 0 . 1 . . . . . 688 ARG H . 51689 1 222 . 1 . 1 82 82 ARG C C 13 176.992 0 . 1 . . . . . 688 ARG CO . 51689 1 223 . 1 . 1 82 82 ARG N N 15 121.496 0 . 1 . . . . . 688 ARG N . 51689 1 224 . 1 . 1 83 83 GLY H H 1 8.433 0 . 1 . . . . . 689 GLY H . 51689 1 225 . 1 . 1 83 83 GLY C C 13 174.081 0 . 1 . . . . . 689 GLY CO . 51689 1 226 . 1 . 1 83 83 GLY N N 15 110.080 0 . 1 . . . . . 689 GLY N . 51689 1 227 . 1 . 1 84 84 ARG H H 1 8.343 0 . 1 . . . . . 690 ARG H . 51689 1 228 . 1 . 1 84 84 ARG C C 13 176.903 0 . 1 . . . . . 690 ARG CO . 51689 1 229 . 1 . 1 84 84 ARG N N 15 120.604 0 . 1 . . . . . 690 ARG N . 51689 1 230 . 1 . 1 85 85 GLY H H 1 8.494 0 . 1 . . . . . 691 GLY H . 51689 1 231 . 1 . 1 85 85 GLY C C 13 174.200 0 . 1 . . . . . 691 GLY CO . 51689 1 232 . 1 . 1 85 85 GLY N N 15 110.115 0 . 1 . . . . . 691 GLY N . 51689 1 233 . 1 . 1 86 86 GLY H H 1 8.158 0 . 1 . . . . . 692 GLY H . 51689 1 234 . 1 . 1 86 86 GLY N N 15 108.839 0 . 1 . . . . . 692 GLY N . 51689 1 235 . 1 . 1 88 88 PRO C C 13 176.689 0 . 1 . . . . . 694 PRO CO . 51689 1 236 . 1 . 1 89 89 ARG H H 1 8.399 0 . 1 . . . . . 695 ARG H . 51689 1 237 . 1 . 1 89 89 ARG N N 15 122.078 0 . 1 . . . . . 695 ARG N . 51689 1 238 . 1 . 1 90 90 PRO C C 13 176.665 0 . 1 . . . . . 696 PRO CO . 51689 1 239 . 1 . 1 91 91 ASN H H 1 8.566 0 . 1 . . . . . 697 ASN H . 51689 1 240 . 1 . 1 91 91 ASN C C 13 175.284 0 . 1 . . . . . 697 ASN CO . 51689 1 241 . 1 . 1 91 91 ASN N N 15 119.329 0 . 1 . . . . . 697 ASN N . 51689 1 242 . 1 . 1 92 92 ARG H H 1 8.374 0 . 1 . . . . . 698 ARG H . 51689 1 243 . 1 . 1 92 92 ARG C C 13 176.554 0 . 1 . . . . . 698 ARG CO . 51689 1 244 . 1 . 1 92 92 ARG N N 15 121.275 0 . 1 . . . . . 698 ARG N . 51689 1 245 . 1 . 1 93 93 GLY H H 1 8.432 0 . 1 . . . . . 699 GLY H . 51689 1 246 . 1 . 1 93 93 GLY C C 13 173.781 0 . 1 . . . . . 699 GLY CO . 51689 1 247 . 1 . 1 93 93 GLY N N 15 109.526 0 . 1 . . . . . 699 GLY N . 51689 1 248 . 1 . 1 94 94 MET H H 1 8.130 0 . 1 . . . . . 700 MET H . 51689 1 249 . 1 . 1 94 94 MET N N 15 120.814 0 . 1 . . . . . 700 MET N . 51689 1 250 . 1 . 1 95 95 PRO C C 13 176.785 0 . 1 . . . . . 701 PRO CO . 51689 1 251 . 1 . 1 96 96 GLN H H 1 8.514 0 . 1 . . . . . 702 GLN H . 51689 1 252 . 1 . 1 96 96 GLN C C 13 176.012 0 . 1 . . . . . 702 GLN CO . 51689 1 253 . 1 . 1 96 96 GLN N N 15 120.353 0 . 1 . . . . . 702 GLN N . 51689 1 254 . 1 . 1 97 97 MET H H 1 8.422 0 . 1 . . . . . 703 MET H . 51689 1 255 . 1 . 1 97 97 MET C C 13 175.922 0 . 1 . . . . . 703 MET CO . 51689 1 256 . 1 . 1 97 97 MET N N 15 121.623 0 . 1 . . . . . 703 MET N . 51689 1 257 . 1 . 1 98 98 ASN H H 1 8.550 0 . 1 . . . . . 704 ASN H . 51689 1 258 . 1 . 1 98 98 ASN C C 13 175.456 0 . 1 . . . . . 704 ASN CO . 51689 1 259 . 1 . 1 98 98 ASN N N 15 119.925 0 . 1 . . . . . 704 ASN N . 51689 1 260 . 1 . 1 99 99 THR H H 1 8.130 0 . 1 . . . . . 705 THR H . 51689 1 261 . 1 . 1 99 99 THR C C 13 174.531 0 . 1 . . . . . 705 THR CO . 51689 1 262 . 1 . 1 99 99 THR N N 15 114.013 0 . 1 . . . . . 705 THR N . 51689 1 263 . 1 . 1 100 100 GLN H H 1 8.371 0 . 1 . . . . . 706 GLN H . 51689 1 264 . 1 . 1 100 100 GLN C C 13 175.673 0 . 1 . . . . . 706 GLN CO . 51689 1 265 . 1 . 1 100 100 GLN N N 15 122.134 0 . 1 . . . . . 706 GLN N . 51689 1 266 . 1 . 1 101 101 GLN H H 1 8.384 0 . 1 . . . . . 707 GLN H . 51689 1 267 . 1 . 1 101 101 GLN C C 13 175.645 0 . 1 . . . . . 707 GLN CO . 51689 1 268 . 1 . 1 101 101 GLN N N 15 122.182 0 . 1 . . . . . 707 GLN N . 51689 1 269 . 1 . 1 102 102 VAL H H 1 8.252 0 . 1 . . . . . 708 VAL H . 51689 1 270 . 1 . 1 102 102 VAL C C 13 175.048 0 . 1 . . . . . 708 VAL CO . 51689 1 271 . 1 . 1 102 102 VAL N N 15 121.861 0 . 1 . . . . . 708 VAL N . 51689 1 272 . 1 . 1 103 103 ASN H H 1 8.080 0 . 1 . . . . . 709 ASN H . 51689 1 273 . 1 . 1 103 103 ASN N N 15 127.517 0 . 1 . . . . . 709 ASN N . 51689 1 stop_ save_