data_51361 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51361 _Entry.Title ; 1H, 13C and 15N Backbone Chemical Shift Assignments of the SH3 domain of the JNK-interacting protein 2, conformations corresponding to proline 664 cis-trans isomerization ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-14 _Entry.Accession_date 2022-03-14 _Entry.Last_release_date 2022-03-14 _Entry.Original_release_date 2022-03-14 _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 Laura 'Marino Perez' . . . . 51361 2 Malene 'Ringkjobing Jensen' . . . . 51361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 51361 '15N chemical shifts' 112 51361 '1H chemical shifts' 112 51361 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 . . 2024-08-09 . original BMRB . 51361 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51361 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39013462 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of homodimerization of the JNK scaffold protein JIP2 and its heterodimerization with JIP1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 2024 _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 Laura 'Marino Perez' L. . . . 51361 1 2 Francesco Ielasi F. S. . . 51361 1 3 Alexandra Lee A. . . . 51361 1 4 Elise Delaforge E. . . . 51361 1 5 Pauline Juyoux P. . . . 51361 1 6 Maud Tengo M. . . . 51361 1 7 Roger Davis R. J. . . 51361 1 8 Andres Palencia A. . . . 51361 1 9 'Malene Ringkjobing' Jensen M. R. . . 51361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51361 _Assembly.ID 1 _Assembly.Name 'WT JIP2-SH3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'WT JIP2-SH3, cis conformer' 1 $entity_1 . . yes native yes no . . 'P664 cis-trans isomerization' 51361 1 2 'WT JIP2-SH3, trans conformer' 1 $entity_1 . . yes native yes no . . 'P664 cis-trans isomerization' 51361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51361 _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 ; GRREQTHRAVFRFIPRHPDE LELDVDDPVLVEAEEDDFWF RGFNMRTGERGVFPAFYAHA VPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 63 _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 1 603 GLY . 51361 1 2 604 ARG . 51361 1 3 605 ARG . 51361 1 4 606 GLU . 51361 1 5 607 GLN . 51361 1 6 608 THR . 51361 1 7 609 HIS . 51361 1 8 610 ARG . 51361 1 9 611 ALA . 51361 1 10 612 VAL . 51361 1 11 613 PHE . 51361 1 12 614 ARG . 51361 1 13 615 PHE . 51361 1 14 616 ILE . 51361 1 15 617 PRO . 51361 1 16 618 ARG . 51361 1 17 619 HIS . 51361 1 18 620 PRO . 51361 1 19 621 ASP . 51361 1 20 622 GLU . 51361 1 21 623 LEU . 51361 1 22 624 GLU . 51361 1 23 625 LEU . 51361 1 24 626 ASP . 51361 1 25 627 VAL . 51361 1 26 628 ASP . 51361 1 27 629 ASP . 51361 1 28 630 PRO . 51361 1 29 631 VAL . 51361 1 30 632 LEU . 51361 1 31 633 VAL . 51361 1 32 634 GLU . 51361 1 33 635 ALA . 51361 1 34 636 GLU . 51361 1 35 637 GLU . 51361 1 36 638 ASP . 51361 1 37 639 ASP . 51361 1 38 640 PHE . 51361 1 39 641 TRP . 51361 1 40 642 PHE . 51361 1 41 643 ARG . 51361 1 42 644 GLY . 51361 1 43 645 PHE . 51361 1 44 646 ASN . 51361 1 45 647 MET . 51361 1 46 648 ARG . 51361 1 47 649 THR . 51361 1 48 650 GLY . 51361 1 49 651 GLU . 51361 1 50 652 ARG . 51361 1 51 653 GLY . 51361 1 52 654 VAL . 51361 1 53 655 PHE . 51361 1 54 656 PRO . 51361 1 55 657 ALA . 51361 1 56 658 PHE . 51361 1 57 659 TYR . 51361 1 58 660 ALA . 51361 1 59 661 HIS . 51361 1 60 662 ALA . 51361 1 61 663 VAL . 51361 1 62 664 PRO . 51361 1 63 665 GLY . 51361 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51361 1 . ARG 2 2 51361 1 . ARG 3 3 51361 1 . GLU 4 4 51361 1 . GLN 5 5 51361 1 . THR 6 6 51361 1 . HIS 7 7 51361 1 . ARG 8 8 51361 1 . ALA 9 9 51361 1 . VAL 10 10 51361 1 . PHE 11 11 51361 1 . ARG 12 12 51361 1 . PHE 13 13 51361 1 . ILE 14 14 51361 1 . PRO 15 15 51361 1 . ARG 16 16 51361 1 . HIS 17 17 51361 1 . PRO 18 18 51361 1 . ASP 19 19 51361 1 . GLU 20 20 51361 1 . LEU 21 21 51361 1 . GLU 22 22 51361 1 . LEU 23 23 51361 1 . ASP 24 24 51361 1 . VAL 25 25 51361 1 . ASP 26 26 51361 1 . ASP 27 27 51361 1 . PRO 28 28 51361 1 . VAL 29 29 51361 1 . LEU 30 30 51361 1 . VAL 31 31 51361 1 . GLU 32 32 51361 1 . ALA 33 33 51361 1 . GLU 34 34 51361 1 . GLU 35 35 51361 1 . ASP 36 36 51361 1 . ASP 37 37 51361 1 . PHE 38 38 51361 1 . TRP 39 39 51361 1 . PHE 40 40 51361 1 . ARG 41 41 51361 1 . GLY 42 42 51361 1 . PHE 43 43 51361 1 . ASN 44 44 51361 1 . MET 45 45 51361 1 . ARG 46 46 51361 1 . THR 47 47 51361 1 . GLY 48 48 51361 1 . GLU 49 49 51361 1 . ARG 50 50 51361 1 . GLY 51 51 51361 1 . VAL 52 52 51361 1 . PHE 53 53 51361 1 . PRO 54 54 51361 1 . ALA 55 55 51361 1 . PHE 56 56 51361 1 . TYR 57 57 51361 1 . ALA 58 58 51361 1 . HIS 59 59 51361 1 . ALA 60 60 51361 1 . VAL 61 61 51361 1 . PRO 62 62 51361 1 . GLY 63 63 51361 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 51361 _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 . . . . . . . . . . . . . 51361 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 51361 _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(DE3) . . plasmid . . pESPRIT . . . 51361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51361 _Sample.ID 1 _Sample.Name 'WT JIP2-SH3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'JIP2-SH3 WT' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 51361 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51361 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51361 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 51361 _Sample_condition_list.ID 1 _Sample_condition_list.Name '150mM NaCl, 50mM HEPES pH 7.0' _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 pH 7.0 . pH 51361 1 pressure 1 . atm 51361 1 temperature 308 . K 51361 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51361 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51361 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51361 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51361 2 'data analysis' . 51361 2 'peak picking' . 51361 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51361 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51361 3 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 51361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD Liquide' _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 51361 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51361 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51361 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 51361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 51361 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51361 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51361 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 51361 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H 15N and 13C chemical shift assignment of WT JIP2-SH3 with P664 in a cis conformation' _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 '3D HNCO' . . . 51361 1 2 '3D HNCACB' . . . 51361 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 . . 51361 1 2 $software_2 . . 51361 1 3 $software_3 . . 51361 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 3 3 ARG H H 1 8.482 . . 1 . . . . . 605 ARG H . 51361 1 2 . 1 . 1 3 3 ARG C C 13 175.355 . . 1 . . . . . 605 ARG C . 51361 1 3 . 1 . 1 3 3 ARG CA C 13 56.176 . . 1 . . . . . 605 ARG CA . 51361 1 4 . 1 . 1 3 3 ARG CB C 13 30.866 . . 1 . . . . . 605 ARG CB . 51361 1 5 . 1 . 1 3 3 ARG N N 15 122.871 . . 1 . . . . . 605 ARG N . 51361 1 6 . 1 . 1 4 4 GLU H H 1 8.095 . . 1 . . . . . 606 GLU H . 51361 1 7 . 1 . 1 4 4 GLU C C 13 175.084 . . 1 . . . . . 606 GLU C . 51361 1 8 . 1 . 1 4 4 GLU CA C 13 55.720 . . 1 . . . . . 606 GLU CA . 51361 1 9 . 1 . 1 4 4 GLU CB C 13 31.284 . . 1 . . . . . 606 GLU CB . 51361 1 10 . 1 . 1 4 4 GLU N N 15 121.267 . . 1 . . . . . 606 GLU N . 51361 1 11 . 1 . 1 5 5 GLN H H 1 8.340 . . 1 . . . . . 607 GLN H . 51361 1 12 . 1 . 1 5 5 GLN C C 13 175.228 . . 1 . . . . . 607 GLN C . 51361 1 13 . 1 . 1 5 5 GLN CA C 13 56.768 . . 1 . . . . . 607 GLN CA . 51361 1 14 . 1 . 1 5 5 GLN CB C 13 29.312 . . 1 . . . . . 607 GLN CB . 51361 1 15 . 1 . 1 5 5 GLN N N 15 119.446 . . 1 . . . . . 607 GLN N . 51361 1 16 . 1 . 1 6 6 THR H H 1 8.682 . . 1 . . . . . 608 THR H . 51361 1 17 . 1 . 1 6 6 THR C C 13 175.662 . . 1 . . . . . 608 THR C . 51361 1 18 . 1 . 1 6 6 THR CA C 13 62.593 . . 1 . . . . . 608 THR CA . 51361 1 19 . 1 . 1 6 6 THR CB C 13 69.346 . . 1 . . . . . 608 THR CB . 51361 1 20 . 1 . 1 6 6 THR N N 15 114.284 . . 1 . . . . . 608 THR N . 51361 1 21 . 1 . 1 7 7 HIS H H 1 8.789 . . 1 . . . . . 609 HIS H . 51361 1 22 . 1 . 1 7 7 HIS C C 13 174.694 . . 1 . . . . . 609 HIS C . 51361 1 23 . 1 . 1 7 7 HIS CA C 13 56.353 . . 1 . . . . . 609 HIS CA . 51361 1 24 . 1 . 1 7 7 HIS CB C 13 37.037 . . 1 . . . . . 609 HIS CB . 51361 1 25 . 1 . 1 7 7 HIS N N 15 121.640 . . 1 . . . . . 609 HIS N . 51361 1 26 . 1 . 1 8 8 ARG H H 1 9.379 . . 1 . . . . . 610 ARG H . 51361 1 27 . 1 . 1 8 8 ARG C C 13 175.166 . . 1 . . . . . 610 ARG C . 51361 1 28 . 1 . 1 8 8 ARG CA C 13 53.662 . . 1 . . . . . 610 ARG CA . 51361 1 29 . 1 . 1 8 8 ARG CB C 13 34.174 . . 1 . . . . . 610 ARG CB . 51361 1 30 . 1 . 1 8 8 ARG N N 15 121.383 . . 1 . . . . . 610 ARG N . 51361 1 31 . 1 . 1 9 9 ALA H H 1 8.776 . . 1 . . . . . 611 ALA H . 51361 1 32 . 1 . 1 9 9 ALA C C 13 179.217 . . 1 . . . . . 611 ALA C . 51361 1 33 . 1 . 1 9 9 ALA CA C 13 51.646 . . 1 . . . . . 611 ALA CA . 51361 1 34 . 1 . 1 9 9 ALA CB C 13 20.815 . . 1 . . . . . 611 ALA CB . 51361 1 35 . 1 . 1 9 9 ALA N N 15 126.597 . . 1 . . . . . 611 ALA N . 51361 1 36 . 1 . 1 10 10 VAL H H 1 8.621 . . 1 . . . . . 612 VAL H . 51361 1 37 . 1 . 1 10 10 VAL C C 13 173.703 . . 1 . . . . . 612 VAL C . 51361 1 38 . 1 . 1 10 10 VAL CA C 13 61.702 . . 1 . . . . . 612 VAL CA . 51361 1 39 . 1 . 1 10 10 VAL CB C 13 32.574 . . 1 . . . . . 612 VAL CB . 51361 1 40 . 1 . 1 10 10 VAL N N 15 117.721 . . 1 . . . . . 612 VAL N . 51361 1 41 . 1 . 1 11 11 PHE H H 1 6.840 . . 1 . . . . . 613 PHE H . 51361 1 42 . 1 . 1 11 11 PHE C C 13 171.967 . . 1 . . . . . 613 PHE C . 51361 1 43 . 1 . 1 11 11 PHE CA C 13 55.426 . . 1 . . . . . 613 PHE CA . 51361 1 44 . 1 . 1 11 11 PHE CB C 13 42.766 . . 1 . . . . . 613 PHE CB . 51361 1 45 . 1 . 1 11 11 PHE N N 15 116.603 . . 1 . . . . . 613 PHE N . 51361 1 46 . 1 . 1 12 12 ARG H H 1 7.070 . . 1 . . . . . 614 ARG H . 51361 1 47 . 1 . 1 12 12 ARG C C 13 174.244 . . 1 . . . . . 614 ARG C . 51361 1 48 . 1 . 1 12 12 ARG CA C 13 55.861 . . 1 . . . . . 614 ARG CA . 51361 1 49 . 1 . 1 12 12 ARG CB C 13 31.202 . . 1 . . . . . 614 ARG CB . 51361 1 50 . 1 . 1 12 12 ARG N N 15 119.986 . . 1 . . . . . 614 ARG N . 51361 1 51 . 1 . 1 13 13 PHE H H 1 8.910 . . 1 . . . . . 615 PHE H . 51361 1 52 . 1 . 1 13 13 PHE C C 13 172.806 . . 1 . . . . . 615 PHE C . 51361 1 53 . 1 . 1 13 13 PHE CA C 13 57.007 . . 1 . . . . . 615 PHE CA . 51361 1 54 . 1 . 1 13 13 PHE CB C 13 42.753 . . 1 . . . . . 615 PHE CB . 51361 1 55 . 1 . 1 13 13 PHE N N 15 127.503 . . 1 . . . . . 615 PHE N . 51361 1 56 . 1 . 1 14 14 ILE H H 1 8.816 . . 1 . . . . . 616 ILE H . 51361 1 57 . 1 . 1 14 14 ILE CA C 13 57.516 . . 1 . . . . . 616 ILE CA . 51361 1 58 . 1 . 1 14 14 ILE CB C 13 38.581 . . 1 . . . . . 616 ILE CB . 51361 1 59 . 1 . 1 14 14 ILE N N 15 129.356 . . 1 . . . . . 616 ILE N . 51361 1 60 . 1 . 1 15 15 PRO C C 13 177.510 . . 1 . . . . . 617 PRO C . 51361 1 61 . 1 . 1 15 15 PRO CA C 13 63.499 . . 1 . . . . . 617 PRO CA . 51361 1 62 . 1 . 1 15 15 PRO CB C 13 34.479 . . 1 . . . . . 617 PRO CB . 51361 1 63 . 1 . 1 16 16 ARG H H 1 9.130 . . 1 . . . . . 618 ARG H . 51361 1 64 . 1 . 1 16 16 ARG C C 13 174.611 . . 1 . . . . . 618 ARG C . 51361 1 65 . 1 . 1 16 16 ARG CA C 13 56.141 . . 1 . . . . . 618 ARG CA . 51361 1 66 . 1 . 1 16 16 ARG CB C 13 32.495 . . 1 . . . . . 618 ARG CB . 51361 1 67 . 1 . 1 16 16 ARG N N 15 121.215 . . 1 . . . . . 618 ARG N . 51361 1 68 . 1 . 1 17 17 HIS H H 1 8.416 . . 1 . . . . . 619 HIS H . 51361 1 69 . 1 . 1 17 17 HIS CA C 13 53.074 . . 1 . . . . . 619 HIS CA . 51361 1 70 . 1 . 1 17 17 HIS CB C 13 28.877 . . 1 . . . . . 619 HIS CB . 51361 1 71 . 1 . 1 17 17 HIS N N 15 120.294 . . 1 . . . . . 619 HIS N . 51361 1 72 . 1 . 1 18 18 PRO C C 13 175.964 . . 1 . . . . . 620 PRO C . 51361 1 73 . 1 . 1 18 18 PRO CA C 13 65.293 . . 1 . . . . . 620 PRO CA . 51361 1 74 . 1 . 1 18 18 PRO CB C 13 31.987 . . 1 . . . . . 620 PRO CB . 51361 1 75 . 1 . 1 19 19 ASP H H 1 9.335 . . 1 . . . . . 621 ASP H . 51361 1 76 . 1 . 1 19 19 ASP C C 13 177.127 . . 1 . . . . . 621 ASP C . 51361 1 77 . 1 . 1 19 19 ASP CA C 13 53.251 . . 1 . . . . . 621 ASP CA . 51361 1 78 . 1 . 1 19 19 ASP CB C 13 39.240 . . 1 . . . . . 621 ASP CB . 51361 1 79 . 1 . 1 19 19 ASP N N 15 114.299 . . 1 . . . . . 621 ASP N . 51361 1 80 . 1 . 1 20 20 GLU H H 1 7.586 . . 1 . . . . . 622 GLU H . 51361 1 81 . 1 . 1 20 20 GLU C C 13 175.744 . . 1 . . . . . 622 GLU C . 51361 1 82 . 1 . 1 20 20 GLU CA C 13 55.822 . . 1 . . . . . 622 GLU CA . 51361 1 83 . 1 . 1 20 20 GLU CB C 13 32.182 . . 1 . . . . . 622 GLU CB . 51361 1 84 . 1 . 1 20 20 GLU N N 15 121.186 . . 1 . . . . . 622 GLU N . 51361 1 85 . 1 . 1 21 21 LEU H H 1 8.727 . . 1 . . . . . 623 LEU H . 51361 1 86 . 1 . 1 21 21 LEU C C 13 173.203 . . 1 . . . . . 623 LEU C . 51361 1 87 . 1 . 1 21 21 LEU CA C 13 52.695 . . 1 . . . . . 623 LEU CA . 51361 1 88 . 1 . 1 21 21 LEU CB C 13 46.150 . . 1 . . . . . 623 LEU CB . 51361 1 89 . 1 . 1 21 21 LEU N N 15 123.669 . . 1 . . . . . 623 LEU N . 51361 1 90 . 1 . 1 22 22 GLU H H 1 8.527 . . 1 . . . . . 624 GLU H . 51361 1 91 . 1 . 1 22 22 GLU C C 13 176.481 . . 1 . . . . . 624 GLU C . 51361 1 92 . 1 . 1 22 22 GLU CA C 13 56.675 . . 1 . . . . . 624 GLU CA . 51361 1 93 . 1 . 1 22 22 GLU CB C 13 29.328 . . 1 . . . . . 624 GLU CB . 51361 1 94 . 1 . 1 22 22 GLU N N 15 124.241 . . 1 . . . . . 624 GLU N . 51361 1 95 . 1 . 1 23 23 LEU H H 1 9.132 . . 1 . . . . . 625 LEU H . 51361 1 96 . 1 . 1 23 23 LEU C C 13 176.058 . . 1 . . . . . 625 LEU C . 51361 1 97 . 1 . 1 23 23 LEU CA C 13 54.076 . . 1 . . . . . 625 LEU CA . 51361 1 98 . 1 . 1 23 23 LEU CB C 13 46.241 . . 1 . . . . . 625 LEU CB . 51361 1 99 . 1 . 1 23 23 LEU N N 15 124.970 . . 1 . . . . . 625 LEU N . 51361 1 100 . 1 . 1 24 24 ASP H H 1 8.878 . . 1 . . . . . 626 ASP H . 51361 1 101 . 1 . 1 24 24 ASP C C 13 174.953 . . 1 . . . . . 626 ASP C . 51361 1 102 . 1 . 1 24 24 ASP CA C 13 51.222 . . 1 . . . . . 626 ASP CA . 51361 1 103 . 1 . 1 24 24 ASP CB C 13 42.831 . . 1 . . . . . 626 ASP CB . 51361 1 104 . 1 . 1 24 24 ASP N N 15 124.820 . . 1 . . . . . 626 ASP N . 51361 1 105 . 1 . 1 25 25 VAL H H 1 8.714 . . 1 . . . . . 627 VAL H . 51361 1 106 . 1 . 1 25 25 VAL C C 13 176.542 . . 1 . . . . . 627 VAL C . 51361 1 107 . 1 . 1 25 25 VAL CA C 13 65.642 . . 1 . . . . . 627 VAL CA . 51361 1 108 . 1 . 1 25 25 VAL CB C 13 31.289 . . 1 . . . . . 627 VAL CB . 51361 1 109 . 1 . 1 25 25 VAL N N 15 121.403 . . 1 . . . . . 627 VAL N . 51361 1 110 . 1 . 1 26 26 ASP H H 1 8.407 . . 1 . . . . . 628 ASP H . 51361 1 111 . 1 . 1 26 26 ASP C C 13 175.858 . . 1 . . . . . 628 ASP C . 51361 1 112 . 1 . 1 26 26 ASP CA C 13 56.875 . . 1 . . . . . 628 ASP CA . 51361 1 113 . 1 . 1 26 26 ASP CB C 13 39.477 . . 1 . . . . . 628 ASP CB . 51361 1 114 . 1 . 1 26 26 ASP N N 15 120.397 . . 1 . . . . . 628 ASP N . 51361 1 115 . 1 . 1 27 27 ASP H H 1 8.261 . . 1 . . . . . 629 ASP H . 51361 1 116 . 1 . 1 27 27 ASP CA C 13 53.901 . . 1 . . . . . 629 ASP CA . 51361 1 117 . 1 . 1 27 27 ASP CB C 13 39.331 . . 1 . . . . . 629 ASP CB . 51361 1 118 . 1 . 1 27 27 ASP N N 15 122.150 . . 1 . . . . . 629 ASP N . 51361 1 119 . 1 . 1 28 28 PRO C C 13 175.816 . . 1 . . . . . 630 PRO C . 51361 1 120 . 1 . 1 28 28 PRO CA C 13 62.050 . . 1 . . . . . 630 PRO CA . 51361 1 121 . 1 . 1 28 28 PRO CB C 13 31.174 . . 1 . . . . . 630 PRO CB . 51361 1 122 . 1 . 1 29 29 VAL H H 1 8.372 . . 1 . . . . . 631 VAL H . 51361 1 123 . 1 . 1 29 29 VAL C C 13 174.075 . . 1 . . . . . 631 VAL C . 51361 1 124 . 1 . 1 29 29 VAL CA C 13 59.985 . . 1 . . . . . 631 VAL CA . 51361 1 125 . 1 . 1 29 29 VAL CB C 13 36.604 . . 1 . . . . . 631 VAL CB . 51361 1 126 . 1 . 1 29 29 VAL N N 15 122.812 . . 1 . . . . . 631 VAL N . 51361 1 127 . 1 . 1 30 30 LEU H H 1 9.141 . . 1 . . . . . 632 LEU H . 51361 1 128 . 1 . 1 30 30 LEU C C 13 175.951 . . 1 . . . . . 632 LEU C . 51361 1 129 . 1 . 1 30 30 LEU CA C 13 54.387 . . 1 . . . . . 632 LEU CA . 51361 1 130 . 1 . 1 30 30 LEU CB C 13 43.996 . . 1 . . . . . 632 LEU CB . 51361 1 131 . 1 . 1 30 30 LEU N N 15 130.563 . . 1 . . . . . 632 LEU N . 51361 1 132 . 1 . 1 31 31 VAL H H 1 9.142 . . 1 . . . . . 633 VAL H . 51361 1 133 . 1 . 1 31 31 VAL C C 13 175.135 . . 1 . . . . . 633 VAL C . 51361 1 134 . 1 . 1 31 31 VAL CA C 13 64.440 . . 1 . . . . . 633 VAL CA . 51361 1 135 . 1 . 1 31 31 VAL CB C 13 31.690 . . 1 . . . . . 633 VAL CB . 51361 1 136 . 1 . 1 31 31 VAL N N 15 128.786 . . 1 . . . . . 633 VAL N . 51361 1 137 . 1 . 1 32 32 GLU H H 1 9.129 . . 1 . . . . . 634 GLU H . 51361 1 138 . 1 . 1 32 32 GLU C C 13 176.548 . . 1 . . . . . 634 GLU C . 51361 1 139 . 1 . 1 32 32 GLU CA C 13 57.099 . . 1 . . . . . 634 GLU CA . 51361 1 140 . 1 . 1 32 32 GLU CB C 13 31.739 . . 1 . . . . . 634 GLU CB . 51361 1 141 . 1 . 1 32 32 GLU N N 15 129.220 . . 1 . . . . . 634 GLU N . 51361 1 142 . 1 . 1 33 33 ALA H H 1 7.765 . . 1 . . . . . 635 ALA H . 51361 1 143 . 1 . 1 33 33 ALA C C 13 174.666 . . 1 . . . . . 635 ALA C . 51361 1 144 . 1 . 1 33 33 ALA CA C 13 52.481 . . 1 . . . . . 635 ALA CA . 51361 1 145 . 1 . 1 33 33 ALA CB C 13 22.027 . . 1 . . . . . 635 ALA CB . 51361 1 146 . 1 . 1 33 33 ALA N N 15 119.009 . . 1 . . . . . 635 ALA N . 51361 1 147 . 1 . 1 34 34 GLU H H 1 8.465 . . 1 . . . . . 636 GLU H . 51361 1 148 . 1 . 1 34 34 GLU C C 13 176.009 . . 1 . . . . . 636 GLU C . 51361 1 149 . 1 . 1 34 34 GLU CA C 13 55.219 . . 1 . . . . . 636 GLU CA . 51361 1 150 . 1 . 1 34 34 GLU CB C 13 28.845 . . 1 . . . . . 636 GLU CB . 51361 1 151 . 1 . 1 34 34 GLU N N 15 123.293 . . 1 . . . . . 636 GLU N . 51361 1 152 . 1 . 1 35 35 GLU H H 1 7.956 . . 1 . . . . . 637 GLU H . 51361 1 153 . 1 . 1 35 35 GLU C C 13 178.025 . . 1 . . . . . 637 GLU C . 51361 1 154 . 1 . 1 35 35 GLU CA C 13 56.993 . . 1 . . . . . 637 GLU CA . 51361 1 155 . 1 . 1 35 35 GLU CB C 13 29.627 . . 1 . . . . . 637 GLU CB . 51361 1 156 . 1 . 1 35 35 GLU N N 15 122.557 . . 1 . . . . . 637 GLU N . 51361 1 157 . 1 . 1 36 36 ASP H H 1 8.609 . . 1 . . . . . 638 ASP H . 51361 1 158 . 1 . 1 36 36 ASP C C 13 175.400 . . 1 . . . . . 638 ASP C . 51361 1 159 . 1 . 1 36 36 ASP CA C 13 56.586 . . 1 . . . . . 638 ASP CA . 51361 1 160 . 1 . 1 36 36 ASP CB C 13 40.514 . . 1 . . . . . 638 ASP CB . 51361 1 161 . 1 . 1 36 36 ASP N N 15 119.582 . . 1 . . . . . 638 ASP N . 51361 1 162 . 1 . 1 37 37 ASP H H 1 8.262 . . 1 . . . . . 639 ASP H . 51361 1 163 . 1 . 1 37 37 ASP C C 13 175.458 . . 1 . . . . . 639 ASP C . 51361 1 164 . 1 . 1 37 37 ASP CA C 13 52.503 . . 1 . . . . . 639 ASP CA . 51361 1 165 . 1 . 1 37 37 ASP CB C 13 38.836 . . 1 . . . . . 639 ASP CB . 51361 1 166 . 1 . 1 37 37 ASP N N 15 116.637 . . 1 . . . . . 639 ASP N . 51361 1 167 . 1 . 1 38 38 PHE H H 1 7.942 . . 1 . . . . . 640 PHE H . 51361 1 168 . 1 . 1 38 38 PHE C C 13 174.687 . . 1 . . . . . 640 PHE C . 51361 1 169 . 1 . 1 38 38 PHE CA C 13 60.365 . . 1 . . . . . 640 PHE CA . 51361 1 170 . 1 . 1 38 38 PHE CB C 13 35.144 . . 1 . . . . . 640 PHE CB . 51361 1 171 . 1 . 1 38 38 PHE N N 15 109.679 . . 1 . . . . . 640 PHE N . 51361 1 172 . 1 . 1 39 39 TRP H H 1 7.379 . . 1 . . . . . 641 TRP H . 51361 1 173 . 1 . 1 39 39 TRP C C 13 174.688 . . 1 . . . . . 641 TRP C . 51361 1 174 . 1 . 1 39 39 TRP CA C 13 57.221 . . 1 . . . . . 641 TRP CA . 51361 1 175 . 1 . 1 39 39 TRP CB C 13 28.996 . . 1 . . . . . 641 TRP CB . 51361 1 176 . 1 . 1 39 39 TRP N N 15 117.512 . . 1 . . . . . 641 TRP N . 51361 1 177 . 1 . 1 40 40 PHE H H 1 8.834 . . 1 . . . . . 642 PHE H . 51361 1 178 . 1 . 1 40 40 PHE C C 13 174.441 . . 1 . . . . . 642 PHE C . 51361 1 179 . 1 . 1 40 40 PHE CA C 13 51.944 . . 1 . . . . . 642 PHE CA . 51361 1 180 . 1 . 1 40 40 PHE CB C 13 39.892 . . 1 . . . . . 642 PHE CB . 51361 1 181 . 1 . 1 40 40 PHE N N 15 120.118 . . 1 . . . . . 642 PHE N . 51361 1 182 . 1 . 1 41 41 ARG H H 1 8.641 . . 1 . . . . . 643 ARG H . 51361 1 183 . 1 . 1 41 41 ARG C C 13 176.759 . . 1 . . . . . 643 ARG C . 51361 1 184 . 1 . 1 41 41 ARG CA C 13 54.607 . . 1 . . . . . 643 ARG CA . 51361 1 185 . 1 . 1 41 41 ARG CB C 13 33.107 . . 1 . . . . . 643 ARG CB . 51361 1 186 . 1 . 1 41 41 ARG N N 15 119.102 . . 1 . . . . . 643 ARG N . 51361 1 187 . 1 . 1 42 42 GLY H H 1 9.336 . . 1 . . . . . 644 GLY H . 51361 1 188 . 1 . 1 42 42 GLY C C 13 178.287 . . 1 . . . . . 644 GLY C . 51361 1 189 . 1 . 1 42 42 GLY CA C 13 46.535 . . 1 . . . . . 644 GLY CA . 51361 1 190 . 1 . 1 42 42 GLY N N 15 112.476 . . 1 . . . . . 644 GLY N . 51361 1 191 . 1 . 1 43 43 PHE H H 1 8.967 . . 1 . . . . . 645 PHE H . 51361 1 192 . 1 . 1 43 43 PHE C C 13 174.768 . . 1 . . . . . 645 PHE C . 51361 1 193 . 1 . 1 43 43 PHE CA C 13 55.450 . . 1 . . . . . 645 PHE CA . 51361 1 194 . 1 . 1 43 43 PHE CB C 13 42.707 . . 1 . . . . . 645 PHE CB . 51361 1 195 . 1 . 1 43 43 PHE N N 15 120.359 . . 1 . . . . . 645 PHE N . 51361 1 196 . 1 . 1 44 44 ASN H H 1 8.878 . . 1 . . . . . 646 ASN H . 51361 1 197 . 1 . 1 44 44 ASN C C 13 175.193 . . 1 . . . . . 646 ASN C . 51361 1 198 . 1 . 1 44 44 ASN CA C 13 52.850 . . 1 . . . . . 646 ASN CA . 51361 1 199 . 1 . 1 44 44 ASN CB C 13 39.617 . . 1 . . . . . 646 ASN CB . 51361 1 200 . 1 . 1 44 44 ASN N N 15 125.104 . . 1 . . . . . 646 ASN N . 51361 1 201 . 1 . 1 45 45 MET H H 1 8.756 . . 1 . . . . . 647 MET H . 51361 1 202 . 1 . 1 45 45 MET C C 13 177.423 . . 1 . . . . . 647 MET C . 51361 1 203 . 1 . 1 45 45 MET CA C 13 57.595 . . 1 . . . . . 647 MET CA . 51361 1 204 . 1 . 1 45 45 MET CB C 13 32.956 . . 1 . . . . . 647 MET CB . 51361 1 205 . 1 . 1 45 45 MET N N 15 123.271 . . 1 . . . . . 647 MET N . 51361 1 206 . 1 . 1 46 46 ARG H H 1 8.692 . . 1 . . . . . 648 ARG H . 51361 1 207 . 1 . 1 46 46 ARG C C 13 177.609 . . 1 . . . . . 648 ARG C . 51361 1 208 . 1 . 1 46 46 ARG CA C 13 58.857 . . 1 . . . . . 648 ARG CA . 51361 1 209 . 1 . 1 46 46 ARG CB C 13 30.190 . . 1 . . . . . 648 ARG CB . 51361 1 210 . 1 . 1 46 46 ARG N N 15 119.568 . . 1 . . . . . 648 ARG N . 51361 1 211 . 1 . 1 47 47 THR H H 1 7.053 . . 1 . . . . . 649 THR H . 51361 1 212 . 1 . 1 47 47 THR C C 13 176.567 . . 1 . . . . . 649 THR C . 51361 1 213 . 1 . 1 47 47 THR CA C 13 61.940 . . 1 . . . . . 649 THR CA . 51361 1 214 . 1 . 1 47 47 THR CB C 13 70.256 . . 1 . . . . . 649 THR CB . 51361 1 215 . 1 . 1 47 47 THR N N 15 106.623 . . 1 . . . . . 649 THR N . 51361 1 216 . 1 . 1 48 48 GLY H H 1 8.636 . . 1 . . . . . 650 GLY H . 51361 1 217 . 1 . 1 48 48 GLY C C 13 173.860 . . 1 . . . . . 650 GLY C . 51361 1 218 . 1 . 1 48 48 GLY CA C 13 45.876 . . 1 . . . . . 650 GLY CA . 51361 1 219 . 1 . 1 48 48 GLY N N 15 111.418 . . 1 . . . . . 650 GLY N . 51361 1 220 . 1 . 1 49 49 GLU H H 1 7.238 . . 1 . . . . . 651 GLU H . 51361 1 221 . 1 . 1 49 49 GLU C C 13 173.806 . . 1 . . . . . 651 GLU C . 51361 1 222 . 1 . 1 49 49 GLU CA C 13 55.604 . . 1 . . . . . 651 GLU CA . 51361 1 223 . 1 . 1 49 49 GLU CB C 13 31.441 . . 1 . . . . . 651 GLU CB . 51361 1 224 . 1 . 1 49 49 GLU N N 15 118.799 . . 1 . . . . . 651 GLU N . 51361 1 225 . 1 . 1 50 50 ARG H H 1 8.546 . . 1 . . . . . 652 ARG H . 51361 1 226 . 1 . 1 50 50 ARG C C 13 176.303 . . 1 . . . . . 652 ARG C . 51361 1 227 . 1 . 1 50 50 ARG CA C 13 54.391 . . 1 . . . . . 652 ARG CA . 51361 1 228 . 1 . 1 50 50 ARG CB C 13 35.022 . . 1 . . . . . 652 ARG CB . 51361 1 229 . 1 . 1 50 50 ARG N N 15 118.269 . . 1 . . . . . 652 ARG N . 51361 1 230 . 1 . 1 51 51 GLY H H 1 8.591 . . 1 . . . . . 653 GLY H . 51361 1 231 . 1 . 1 51 51 GLY C C 13 171.749 . . 1 . . . . . 653 GLY C . 51361 1 232 . 1 . 1 51 51 GLY CA C 13 45.698 . . 1 . . . . . 653 GLY CA . 51361 1 233 . 1 . 1 51 51 GLY N N 15 108.621 . . 1 . . . . . 653 GLY N . 51361 1 234 . 1 . 1 52 52 VAL H H 1 8.768 . . 1 . . . . . 654 VAL H . 51361 1 235 . 1 . 1 52 52 VAL C C 13 176.684 . . 1 . . . . . 654 VAL C . 51361 1 236 . 1 . 1 52 52 VAL CA C 13 59.042 . . 1 . . . . . 654 VAL CA . 51361 1 237 . 1 . 1 52 52 VAL CB C 13 35.009 . . 1 . . . . . 654 VAL CB . 51361 1 238 . 1 . 1 52 52 VAL N N 15 112.819 . . 1 . . . . . 654 VAL N . 51361 1 239 . 1 . 1 53 53 PHE H H 1 9.021 . . 1 . . . . . 655 PHE H . 51361 1 240 . 1 . 1 53 53 PHE CA C 13 55.715 . . 1 . . . . . 655 PHE CA . 51361 1 241 . 1 . 1 53 53 PHE CB C 13 37.750 . . 1 . . . . . 655 PHE CB . 51361 1 242 . 1 . 1 53 53 PHE N N 15 116.453 . . 1 . . . . . 655 PHE N . 51361 1 243 . 1 . 1 54 54 PRO C C 13 177.527 . . 1 . . . . . 656 PRO C . 51361 1 244 . 1 . 1 54 54 PRO CA C 13 63.016 . . 1 . . . . . 656 PRO CA . 51361 1 245 . 1 . 1 54 54 PRO CB C 13 32.121 . . 1 . . . . . 656 PRO CB . 51361 1 246 . 1 . 1 55 55 ALA H H 1 7.684 . . 1 . . . . . 657 ALA H . 51361 1 247 . 1 . 1 55 55 ALA C C 13 178.024 . . 1 . . . . . 657 ALA C . 51361 1 248 . 1 . 1 55 55 ALA CA C 13 55.531 . . 1 . . . . . 657 ALA CA . 51361 1 249 . 1 . 1 55 55 ALA CB C 13 20.354 . . 1 . . . . . 657 ALA CB . 51361 1 250 . 1 . 1 55 55 ALA N N 15 122.448 . . 1 . . . . . 657 ALA N . 51361 1 251 . 1 . 1 56 56 PHE H H 1 7.172 . . 1 . . . . . 658 PHE H . 51361 1 252 . 1 . 1 56 56 PHE C C 13 174.539 . . 1 . . . . . 658 PHE C . 51361 1 253 . 1 . 1 56 56 PHE CA C 13 58.792 . . 1 . . . . . 658 PHE CA . 51361 1 254 . 1 . 1 56 56 PHE CB C 13 37.637 . . 1 . . . . . 658 PHE CB . 51361 1 255 . 1 . 1 56 56 PHE N N 15 111.053 . . 1 . . . . . 658 PHE N . 51361 1 256 . 1 . 1 57 57 TYR H H 1 7.861 . . 1 . . . . . 659 TYR H . 51361 1 257 . 1 . 1 57 57 TYR C C 13 174.710 . . 1 . . . . . 659 TYR C . 51361 1 258 . 1 . 1 57 57 TYR CA C 13 59.474 . . 1 . . . . . 659 TYR CA . 51361 1 259 . 1 . 1 57 57 TYR CB C 13 37.873 . . 1 . . . . . 659 TYR CB . 51361 1 260 . 1 . 1 57 57 TYR N N 15 115.093 . . 1 . . . . . 659 TYR N . 51361 1 261 . 1 . 1 58 58 ALA H H 1 7.730 . . 1 . . . . . 660 ALA H . 51361 1 262 . 1 . 1 58 58 ALA C C 13 174.912 . . 1 . . . . . 660 ALA C . 51361 1 263 . 1 . 1 58 58 ALA CA C 13 50.680 . . 1 . . . . . 660 ALA CA . 51361 1 264 . 1 . 1 58 58 ALA CB C 13 22.343 . . 1 . . . . . 660 ALA CB . 51361 1 265 . 1 . 1 58 58 ALA N N 15 120.272 . . 1 . . . . . 660 ALA N . 51361 1 266 . 1 . 1 59 59 HIS H H 1 8.764 . . 1 . . . . . 661 HIS H . 51361 1 267 . 1 . 1 59 59 HIS C C 13 174.369 . . 1 . . . . . 661 HIS C . 51361 1 268 . 1 . 1 59 59 HIS CA C 13 53.315 . . 1 . . . . . 661 HIS CA . 51361 1 269 . 1 . 1 59 59 HIS CB C 13 32.602 . . 1 . . . . . 661 HIS CB . 51361 1 270 . 1 . 1 59 59 HIS N N 15 118.491 . . 1 . . . . . 661 HIS N . 51361 1 271 . 1 . 1 60 60 ALA H H 1 8.898 . . 1 . . . . . 662 ALA H . 51361 1 272 . 1 . 1 60 60 ALA C C 13 176.750 . . 1 . . . . . 662 ALA C . 51361 1 273 . 1 . 1 60 60 ALA CA C 13 53.067 . . 1 . . . . . 662 ALA CA . 51361 1 274 . 1 . 1 60 60 ALA CB C 13 18.683 . . 1 . . . . . 662 ALA CB . 51361 1 275 . 1 . 1 60 60 ALA N N 15 129.783 . . 1 . . . . . 662 ALA N . 51361 1 276 . 1 . 1 61 61 VAL H H 1 7.673 . . 1 . . . . . 663 VAL H . 51361 1 277 . 1 . 1 61 61 VAL CA C 13 58.642 . . 1 . . . . . 663 VAL CA . 51361 1 278 . 1 . 1 61 61 VAL CB C 13 33.210 . . 1 . . . . . 663 VAL CB . 51361 1 279 . 1 . 1 61 61 VAL N N 15 117.348 . . 1 . . . . . 663 VAL N . 51361 1 280 . 1 . 1 62 62 PRO C C 13 175.948 . . 1 . . . . . 664 PRO C . 51361 1 281 . 1 . 1 62 62 PRO CA C 13 63.361 . . 1 . . . . . 664 PRO CA . 51361 1 282 . 1 . 1 62 62 PRO CB C 13 34.206 . . 1 . . . . . 664 PRO CB . 51361 1 283 . 1 . 1 63 63 GLY H H 1 8.075 . . 1 . . . . . 665 GLY H . 51361 1 284 . 1 . 1 63 63 GLY CA C 13 46.401 . . 1 . . . . . 665 GLY CA . 51361 1 285 . 1 . 1 63 63 GLY N N 15 116.683 . . 1 . . . . . 665 GLY N . 51361 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51361 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '1H 15N and 13C chemical shift assignment of WT JIP2-SH3 with P664 in a trans conformation' _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 '3D HNCO' . . . 51361 2 2 '3D HNCACB' . . . 51361 2 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 . . 51361 2 2 $software_2 . . 51361 2 3 $software_3 . . 51361 2 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 . 2 . 1 3 3 ARG H H 1 8.482 . . 1 . . . . . 605 ARG H . 51361 2 2 . 2 . 1 3 3 ARG C C 13 175.562 . . 1 . . . . . 605 ARG C . 51361 2 3 . 2 . 1 3 3 ARG CA C 13 56.176 . . 1 . . . . . 605 ARG CA . 51361 2 4 . 2 . 1 3 3 ARG CB C 13 30.866 . . 1 . . . . . 605 ARG CB . 51361 2 5 . 2 . 1 3 3 ARG N N 15 122.871 . . 1 . . . . . 605 ARG N . 51361 2 6 . 2 . 1 4 4 GLU H H 1 8.198 . . 1 . . . . . 606 GLU H . 51361 2 7 . 2 . 1 4 4 GLU C C 13 175.260 . . 1 . . . . . 606 GLU C . 51361 2 8 . 2 . 1 4 4 GLU CA C 13 56.328 . . 1 . . . . . 606 GLU CA . 51361 2 9 . 2 . 1 4 4 GLU CB C 13 31.003 . . 1 . . . . . 606 GLU CB . 51361 2 10 . 2 . 1 4 4 GLU N N 15 121.269 . . 1 . . . . . 606 GLU N . 51361 2 11 . 2 . 1 5 5 GLN H H 1 8.224 . . 1 . . . . . 607 GLN H . 51361 2 12 . 2 . 1 5 5 GLN C C 13 175.240 . . 1 . . . . . 607 GLN C . 51361 2 13 . 2 . 1 5 5 GLN CA C 13 56.645 . . 1 . . . . . 607 GLN CA . 51361 2 14 . 2 . 1 5 5 GLN CB C 13 29.376 . . 1 . . . . . 607 GLN CB . 51361 2 15 . 2 . 1 5 5 GLN N N 15 118.655 . . 1 . . . . . 607 GLN N . 51361 2 16 . 2 . 1 6 6 THR H H 1 8.657 . . 1 . . . . . 608 THR H . 51361 2 17 . 2 . 1 6 6 THR C C 13 175.609 . . 1 . . . . . 608 THR C . 51361 2 18 . 2 . 1 6 6 THR CA C 13 62.593 . . 1 . . . . . 608 THR CA . 51361 2 19 . 2 . 1 6 6 THR CB C 13 69.476 . . 1 . . . . . 608 THR CB . 51361 2 20 . 2 . 1 6 6 THR N N 15 114.315 . . 1 . . . . . 608 THR N . 51361 2 21 . 2 . 1 7 7 HIS H H 1 8.851 . . 1 . . . . . 609 HIS H . 51361 2 22 . 2 . 1 7 7 HIS C C 13 174.596 . . 1 . . . . . 609 HIS C . 51361 2 23 . 2 . 1 7 7 HIS CA C 13 56.277 . . 1 . . . . . 609 HIS CA . 51361 2 24 . 2 . 1 7 7 HIS CB C 13 36.636 . . 1 . . . . . 609 HIS CB . 51361 2 25 . 2 . 1 7 7 HIS N N 15 122.392 . . 1 . . . . . 609 HIS N . 51361 2 26 . 2 . 1 8 8 ARG H H 1 9.188 . . 1 . . . . . 610 ARG H . 51361 2 27 . 2 . 1 8 8 ARG C C 13 175.465 . . 1 . . . . . 610 ARG C . 51361 2 28 . 2 . 1 8 8 ARG CA C 13 53.840 . . 1 . . . . . 610 ARG CA . 51361 2 29 . 2 . 1 8 8 ARG CB C 13 34.262 . . 1 . . . . . 610 ARG CB . 51361 2 30 . 2 . 1 8 8 ARG N N 15 120.764 . . 1 . . . . . 610 ARG N . 51361 2 31 . 2 . 1 9 9 ALA H H 1 8.806 . . 1 . . . . . 611 ALA H . 51361 2 32 . 2 . 1 9 9 ALA C C 13 179.275 . . 1 . . . . . 611 ALA C . 51361 2 33 . 2 . 1 9 9 ALA CA C 13 51.771 . . 1 . . . . . 611 ALA CA . 51361 2 34 . 2 . 1 9 9 ALA CB C 13 20.714 . . 1 . . . . . 611 ALA CB . 51361 2 35 . 2 . 1 9 9 ALA N N 15 126.512 . . 1 . . . . . 611 ALA N . 51361 2 36 . 2 . 1 10 10 VAL H H 1 8.598 . . 1 . . . . . 612 VAL H . 51361 2 37 . 2 . 1 10 10 VAL C C 13 173.703 . . 1 . . . . . 612 VAL C . 51361 2 38 . 2 . 1 10 10 VAL CA C 13 61.560 . . 1 . . . . . 612 VAL CA . 51361 2 39 . 2 . 1 10 10 VAL CB C 13 32.565 . . 1 . . . . . 612 VAL CB . 51361 2 40 . 2 . 1 10 10 VAL N N 15 117.449 . . 1 . . . . . 612 VAL N . 51361 2 41 . 2 . 1 11 11 PHE H H 1 6.840 . . 1 . . . . . 613 PHE H . 51361 2 42 . 2 . 1 11 11 PHE C C 13 171.967 . . 1 . . . . . 613 PHE C . 51361 2 43 . 2 . 1 11 11 PHE CA C 13 55.426 . . 1 . . . . . 613 PHE CA . 51361 2 44 . 2 . 1 11 11 PHE CB C 13 42.766 . . 1 . . . . . 613 PHE CB . 51361 2 45 . 2 . 1 11 11 PHE N N 15 116.603 . . 1 . . . . . 613 PHE N . 51361 2 46 . 2 . 1 12 12 ARG H H 1 7.070 . . 1 . . . . . 614 ARG H . 51361 2 47 . 2 . 1 12 12 ARG C C 13 174.244 . . 1 . . . . . 614 ARG C . 51361 2 48 . 2 . 1 12 12 ARG CA C 13 55.861 . . 1 . . . . . 614 ARG CA . 51361 2 49 . 2 . 1 12 12 ARG CB C 13 31.202 . . 1 . . . . . 614 ARG CB . 51361 2 50 . 2 . 1 12 12 ARG N N 15 119.986 . . 1 . . . . . 614 ARG N . 51361 2 51 . 2 . 1 13 13 PHE H H 1 8.910 . . 1 . . . . . 615 PHE H . 51361 2 52 . 2 . 1 13 13 PHE C C 13 172.806 . . 1 . . . . . 615 PHE C . 51361 2 53 . 2 . 1 13 13 PHE CA C 13 57.007 . . 1 . . . . . 615 PHE CA . 51361 2 54 . 2 . 1 13 13 PHE CB C 13 42.753 . . 1 . . . . . 615 PHE CB . 51361 2 55 . 2 . 1 13 13 PHE N N 15 127.503 . . 1 . . . . . 615 PHE N . 51361 2 56 . 2 . 1 14 14 ILE H H 1 8.816 . . 1 . . . . . 616 ILE H . 51361 2 57 . 2 . 1 14 14 ILE CA C 13 57.516 . . 1 . . . . . 616 ILE CA . 51361 2 58 . 2 . 1 14 14 ILE CB C 13 38.581 . . 1 . . . . . 616 ILE CB . 51361 2 59 . 2 . 1 14 14 ILE N N 15 129.356 . . 1 . . . . . 616 ILE N . 51361 2 60 . 2 . 1 15 15 PRO C C 13 177.510 . . 1 . . . . . 617 PRO C . 51361 2 61 . 2 . 1 15 15 PRO CA C 13 63.499 . . 1 . . . . . 617 PRO CA . 51361 2 62 . 2 . 1 15 15 PRO CB C 13 34.479 . . 1 . . . . . 617 PRO CB . 51361 2 63 . 2 . 1 16 16 ARG H H 1 9.130 . . 1 . . . . . 618 ARG H . 51361 2 64 . 2 . 1 16 16 ARG C C 13 174.611 . . 1 . . . . . 618 ARG C . 51361 2 65 . 2 . 1 16 16 ARG CA C 13 56.141 . . 1 . . . . . 618 ARG CA . 51361 2 66 . 2 . 1 16 16 ARG CB C 13 32.495 . . 1 . . . . . 618 ARG CB . 51361 2 67 . 2 . 1 16 16 ARG N N 15 121.215 . . 1 . . . . . 618 ARG N . 51361 2 68 . 2 . 1 17 17 HIS H H 1 8.416 . . 1 . . . . . 619 HIS H . 51361 2 69 . 2 . 1 17 17 HIS CA C 13 53.074 . . 1 . . . . . 619 HIS CA . 51361 2 70 . 2 . 1 17 17 HIS CB C 13 28.877 . . 1 . . . . . 619 HIS CB . 51361 2 71 . 2 . 1 17 17 HIS N N 15 120.294 . . 1 . . . . . 619 HIS N . 51361 2 72 . 2 . 1 18 18 PRO C C 13 175.964 . . 1 . . . . . 620 PRO C . 51361 2 73 . 2 . 1 18 18 PRO CA C 13 65.293 . . 1 . . . . . 620 PRO CA . 51361 2 74 . 2 . 1 18 18 PRO CB C 13 31.987 . . 1 . . . . . 620 PRO CB . 51361 2 75 . 2 . 1 19 19 ASP H H 1 9.335 . . 1 . . . . . 621 ASP H . 51361 2 76 . 2 . 1 19 19 ASP C C 13 177.127 . . 1 . . . . . 621 ASP C . 51361 2 77 . 2 . 1 19 19 ASP CA C 13 53.251 . . 1 . . . . . 621 ASP CA . 51361 2 78 . 2 . 1 19 19 ASP CB C 13 39.240 . . 1 . . . . . 621 ASP CB . 51361 2 79 . 2 . 1 19 19 ASP N N 15 114.299 . . 1 . . . . . 621 ASP N . 51361 2 80 . 2 . 1 20 20 GLU H H 1 7.586 . . 1 . . . . . 622 GLU H . 51361 2 81 . 2 . 1 20 20 GLU C C 13 175.744 . . 1 . . . . . 622 GLU C . 51361 2 82 . 2 . 1 20 20 GLU CA C 13 55.822 . . 1 . . . . . 622 GLU CA . 51361 2 83 . 2 . 1 20 20 GLU CB C 13 32.182 . . 1 . . . . . 622 GLU CB . 51361 2 84 . 2 . 1 20 20 GLU N N 15 121.186 . . 1 . . . . . 622 GLU N . 51361 2 85 . 2 . 1 21 21 LEU H H 1 8.727 . . 1 . . . . . 623 LEU H . 51361 2 86 . 2 . 1 21 21 LEU C C 13 173.203 . . 1 . . . . . 623 LEU C . 51361 2 87 . 2 . 1 21 21 LEU CA C 13 52.695 . . 1 . . . . . 623 LEU CA . 51361 2 88 . 2 . 1 21 21 LEU CB C 13 46.150 . . 1 . . . . . 623 LEU CB . 51361 2 89 . 2 . 1 21 21 LEU N N 15 123.669 . . 1 . . . . . 623 LEU N . 51361 2 90 . 2 . 1 22 22 GLU H H 1 8.527 . . 1 . . . . . 624 GLU H . 51361 2 91 . 2 . 1 22 22 GLU C C 13 176.481 . . 1 . . . . . 624 GLU C . 51361 2 92 . 2 . 1 22 22 GLU CA C 13 56.675 . . 1 . . . . . 624 GLU CA . 51361 2 93 . 2 . 1 22 22 GLU CB C 13 29.328 . . 1 . . . . . 624 GLU CB . 51361 2 94 . 2 . 1 22 22 GLU N N 15 124.241 . . 1 . . . . . 624 GLU N . 51361 2 95 . 2 . 1 23 23 LEU H H 1 9.132 . . 1 . . . . . 625 LEU H . 51361 2 96 . 2 . 1 23 23 LEU C C 13 176.058 . . 1 . . . . . 625 LEU C . 51361 2 97 . 2 . 1 23 23 LEU CA C 13 54.076 . . 1 . . . . . 625 LEU CA . 51361 2 98 . 2 . 1 23 23 LEU CB C 13 46.241 . . 1 . . . . . 625 LEU CB . 51361 2 99 . 2 . 1 23 23 LEU N N 15 124.970 . . 1 . . . . . 625 LEU N . 51361 2 100 . 2 . 1 24 24 ASP H H 1 8.878 . . 1 . . . . . 626 ASP H . 51361 2 101 . 2 . 1 24 24 ASP C C 13 174.953 . . 1 . . . . . 626 ASP C . 51361 2 102 . 2 . 1 24 24 ASP CA C 13 51.222 . . 1 . . . . . 626 ASP CA . 51361 2 103 . 2 . 1 24 24 ASP CB C 13 42.831 . . 1 . . . . . 626 ASP CB . 51361 2 104 . 2 . 1 24 24 ASP N N 15 124.820 . . 1 . . . . . 626 ASP N . 51361 2 105 . 2 . 1 25 25 VAL H H 1 8.714 . . 1 . . . . . 627 VAL H . 51361 2 106 . 2 . 1 25 25 VAL C C 13 176.533 . . 1 . . . . . 627 VAL C . 51361 2 107 . 2 . 1 25 25 VAL CA C 13 65.642 . . 1 . . . . . 627 VAL CA . 51361 2 108 . 2 . 1 25 25 VAL CB C 13 31.289 . . 1 . . . . . 627 VAL CB . 51361 2 109 . 2 . 1 25 25 VAL N N 15 121.403 . . 1 . . . . . 627 VAL N . 51361 2 110 . 2 . 1 26 26 ASP H H 1 8.382 . . 1 . . . . . 628 ASP H . 51361 2 111 . 2 . 1 26 26 ASP C C 13 175.788 . . 1 . . . . . 628 ASP C . 51361 2 112 . 2 . 1 26 26 ASP CA C 13 56.924 . . 1 . . . . . 628 ASP CA . 51361 2 113 . 2 . 1 26 26 ASP CB C 13 39.547 . . 1 . . . . . 628 ASP CB . 51361 2 114 . 2 . 1 26 26 ASP N N 15 120.458 . . 1 . . . . . 628 ASP N . 51361 2 115 . 2 . 1 27 27 ASP H H 1 8.228 . . 1 . . . . . 629 ASP H . 51361 2 116 . 2 . 1 27 27 ASP CA C 13 53.913 . . 1 . . . . . 629 ASP CA . 51361 2 117 . 2 . 1 27 27 ASP CB C 13 39.384 . . 1 . . . . . 629 ASP CB . 51361 2 118 . 2 . 1 27 27 ASP N N 15 122.008 . . 1 . . . . . 629 ASP N . 51361 2 119 . 2 . 1 28 28 PRO C C 13 175.820 . . 1 . . . . . 630 PRO C . 51361 2 120 . 2 . 1 28 28 PRO CA C 13 61.984 . . 1 . . . . . 630 PRO CA . 51361 2 121 . 2 . 1 28 28 PRO CB C 13 31.119 . . 1 . . . . . 630 PRO CB . 51361 2 122 . 2 . 1 29 29 VAL H H 1 8.444 . . 1 . . . . . 631 VAL H . 51361 2 123 . 2 . 1 29 29 VAL C C 13 174.075 . . 1 . . . . . 631 VAL C . 51361 2 124 . 2 . 1 29 29 VAL CA C 13 59.933 . . 1 . . . . . 631 VAL CA . 51361 2 125 . 2 . 1 29 29 VAL CB C 13 36.576 . . 1 . . . . . 631 VAL CB . 51361 2 126 . 2 . 1 29 29 VAL N N 15 122.866 . . 1 . . . . . 631 VAL N . 51361 2 127 . 2 . 1 30 30 LEU H H 1 9.141 . . 1 . . . . . 632 LEU H . 51361 2 128 . 2 . 1 30 30 LEU C C 13 175.974 . . 1 . . . . . 632 LEU C . 51361 2 129 . 2 . 1 30 30 LEU CA C 13 54.387 . . 1 . . . . . 632 LEU CA . 51361 2 130 . 2 . 1 30 30 LEU CB C 13 43.996 . . 1 . . . . . 632 LEU CB . 51361 2 131 . 2 . 1 30 30 LEU N N 15 130.563 . . 1 . . . . . 632 LEU N . 51361 2 132 . 2 . 1 31 31 VAL H H 1 9.110 . . 1 . . . . . 633 VAL H . 51361 2 133 . 2 . 1 31 31 VAL C C 13 175.135 . . 1 . . . . . 633 VAL C . 51361 2 134 . 2 . 1 31 31 VAL CA C 13 64.372 . . 1 . . . . . 633 VAL CA . 51361 2 135 . 2 . 1 31 31 VAL CB C 13 31.584 . . 1 . . . . . 633 VAL CB . 51361 2 136 . 2 . 1 31 31 VAL N N 15 128.747 . . 1 . . . . . 633 VAL N . 51361 2 137 . 2 . 1 32 32 GLU H H 1 9.129 . . 1 . . . . . 634 GLU H . 51361 2 138 . 2 . 1 32 32 GLU C C 13 176.548 . . 1 . . . . . 634 GLU C . 51361 2 139 . 2 . 1 32 32 GLU CA C 13 57.099 . . 1 . . . . . 634 GLU CA . 51361 2 140 . 2 . 1 32 32 GLU CB C 13 31.739 . . 1 . . . . . 634 GLU CB . 51361 2 141 . 2 . 1 32 32 GLU N N 15 129.220 . . 1 . . . . . 634 GLU N . 51361 2 142 . 2 . 1 33 33 ALA H H 1 7.765 . . 1 . . . . . 635 ALA H . 51361 2 143 . 2 . 1 33 33 ALA C C 13 174.666 . . 1 . . . . . 635 ALA C . 51361 2 144 . 2 . 1 33 33 ALA CA C 13 52.481 . . 1 . . . . . 635 ALA CA . 51361 2 145 . 2 . 1 33 33 ALA CB C 13 22.027 . . 1 . . . . . 635 ALA CB . 51361 2 146 . 2 . 1 33 33 ALA N N 15 119.009 . . 1 . . . . . 635 ALA N . 51361 2 147 . 2 . 1 34 34 GLU H H 1 8.465 . . 1 . . . . . 636 GLU H . 51361 2 148 . 2 . 1 34 34 GLU C C 13 176.009 . . 1 . . . . . 636 GLU C . 51361 2 149 . 2 . 1 34 34 GLU CA C 13 55.219 . . 1 . . . . . 636 GLU CA . 51361 2 150 . 2 . 1 34 34 GLU CB C 13 28.845 . . 1 . . . . . 636 GLU CB . 51361 2 151 . 2 . 1 34 34 GLU N N 15 123.293 . . 1 . . . . . 636 GLU N . 51361 2 152 . 2 . 1 35 35 GLU H H 1 7.956 . . 1 . . . . . 637 GLU H . 51361 2 153 . 2 . 1 35 35 GLU C C 13 178.025 . . 1 . . . . . 637 GLU C . 51361 2 154 . 2 . 1 35 35 GLU CA C 13 56.993 . . 1 . . . . . 637 GLU CA . 51361 2 155 . 2 . 1 35 35 GLU CB C 13 29.627 . . 1 . . . . . 637 GLU CB . 51361 2 156 . 2 . 1 35 35 GLU N N 15 122.557 . . 1 . . . . . 637 GLU N . 51361 2 157 . 2 . 1 36 36 ASP H H 1 8.609 . . 1 . . . . . 638 ASP H . 51361 2 158 . 2 . 1 36 36 ASP C C 13 175.400 . . 1 . . . . . 638 ASP C . 51361 2 159 . 2 . 1 36 36 ASP CA C 13 56.586 . . 1 . . . . . 638 ASP CA . 51361 2 160 . 2 . 1 36 36 ASP CB C 13 40.514 . . 1 . . . . . 638 ASP CB . 51361 2 161 . 2 . 1 36 36 ASP N N 15 119.582 . . 1 . . . . . 638 ASP N . 51361 2 162 . 2 . 1 37 37 ASP H H 1 8.262 . . 1 . . . . . 639 ASP H . 51361 2 163 . 2 . 1 37 37 ASP C C 13 175.458 . . 1 . . . . . 639 ASP C . 51361 2 164 . 2 . 1 37 37 ASP CA C 13 52.503 . . 1 . . . . . 639 ASP CA . 51361 2 165 . 2 . 1 37 37 ASP CB C 13 38.836 . . 1 . . . . . 639 ASP CB . 51361 2 166 . 2 . 1 37 37 ASP N N 15 116.637 . . 1 . . . . . 639 ASP N . 51361 2 167 . 2 . 1 38 38 PHE H H 1 7.942 . . 1 . . . . . 640 PHE H . 51361 2 168 . 2 . 1 38 38 PHE C C 13 174.687 . . 1 . . . . . 640 PHE C . 51361 2 169 . 2 . 1 38 38 PHE CA C 13 60.365 . . 1 . . . . . 640 PHE CA . 51361 2 170 . 2 . 1 38 38 PHE CB C 13 35.144 . . 1 . . . . . 640 PHE CB . 51361 2 171 . 2 . 1 38 38 PHE N N 15 109.679 . . 1 . . . . . 640 PHE N . 51361 2 172 . 2 . 1 39 39 TRP H H 1 7.379 . . 1 . . . . . 641 TRP H . 51361 2 173 . 2 . 1 39 39 TRP C C 13 174.688 . . 1 . . . . . 641 TRP C . 51361 2 174 . 2 . 1 39 39 TRP CA C 13 57.221 . . 1 . . . . . 641 TRP CA . 51361 2 175 . 2 . 1 39 39 TRP CB C 13 28.996 . . 1 . . . . . 641 TRP CB . 51361 2 176 . 2 . 1 39 39 TRP N N 15 117.512 . . 1 . . . . . 641 TRP N . 51361 2 177 . 2 . 1 40 40 PHE H H 1 8.834 . . 1 . . . . . 642 PHE H . 51361 2 178 . 2 . 1 40 40 PHE C C 13 174.441 . . 1 . . . . . 642 PHE C . 51361 2 179 . 2 . 1 40 40 PHE CA C 13 51.944 . . 1 . . . . . 642 PHE CA . 51361 2 180 . 2 . 1 40 40 PHE CB C 13 39.892 . . 1 . . . . . 642 PHE CB . 51361 2 181 . 2 . 1 40 40 PHE N N 15 120.118 . . 1 . . . . . 642 PHE N . 51361 2 182 . 2 . 1 41 41 ARG H H 1 8.641 . . 1 . . . . . 643 ARG H . 51361 2 183 . 2 . 1 41 41 ARG C C 13 176.759 . . 1 . . . . . 643 ARG C . 51361 2 184 . 2 . 1 41 41 ARG CA C 13 54.607 . . 1 . . . . . 643 ARG CA . 51361 2 185 . 2 . 1 41 41 ARG CB C 13 33.107 . . 1 . . . . . 643 ARG CB . 51361 2 186 . 2 . 1 41 41 ARG N N 15 119.102 . . 1 . . . . . 643 ARG N . 51361 2 187 . 2 . 1 42 42 GLY H H 1 9.336 . . 1 . . . . . 644 GLY H . 51361 2 188 . 2 . 1 42 42 GLY C C 13 178.287 . . 1 . . . . . 644 GLY C . 51361 2 189 . 2 . 1 42 42 GLY CA C 13 46.535 . . 1 . . . . . 644 GLY CA . 51361 2 190 . 2 . 1 42 42 GLY N N 15 112.476 . . 1 . . . . . 644 GLY N . 51361 2 191 . 2 . 1 43 43 PHE H H 1 8.967 . . 1 . . . . . 645 PHE H . 51361 2 192 . 2 . 1 43 43 PHE C C 13 174.768 . . 1 . . . . . 645 PHE C . 51361 2 193 . 2 . 1 43 43 PHE CA C 13 55.450 . . 1 . . . . . 645 PHE CA . 51361 2 194 . 2 . 1 43 43 PHE CB C 13 42.707 . . 1 . . . . . 645 PHE CB . 51361 2 195 . 2 . 1 43 43 PHE N N 15 120.359 . . 1 . . . . . 645 PHE N . 51361 2 196 . 2 . 1 44 44 ASN H H 1 8.878 . . 1 . . . . . 646 ASN H . 51361 2 197 . 2 . 1 44 44 ASN C C 13 175.193 . . 1 . . . . . 646 ASN C . 51361 2 198 . 2 . 1 44 44 ASN CA C 13 52.850 . . 1 . . . . . 646 ASN CA . 51361 2 199 . 2 . 1 44 44 ASN CB C 13 39.617 . . 1 . . . . . 646 ASN CB . 51361 2 200 . 2 . 1 44 44 ASN N N 15 125.104 . . 1 . . . . . 646 ASN N . 51361 2 201 . 2 . 1 45 45 MET H H 1 8.756 . . 1 . . . . . 647 MET H . 51361 2 202 . 2 . 1 45 45 MET C C 13 177.423 . . 1 . . . . . 647 MET C . 51361 2 203 . 2 . 1 45 45 MET CA C 13 57.595 . . 1 . . . . . 647 MET CA . 51361 2 204 . 2 . 1 45 45 MET CB C 13 32.956 . . 1 . . . . . 647 MET CB . 51361 2 205 . 2 . 1 45 45 MET N N 15 123.271 . . 1 . . . . . 647 MET N . 51361 2 206 . 2 . 1 46 46 ARG H H 1 8.692 . . 1 . . . . . 648 ARG H . 51361 2 207 . 2 . 1 46 46 ARG C C 13 177.609 . . 1 . . . . . 648 ARG C . 51361 2 208 . 2 . 1 46 46 ARG CA C 13 58.857 . . 1 . . . . . 648 ARG CA . 51361 2 209 . 2 . 1 46 46 ARG CB C 13 30.190 . . 1 . . . . . 648 ARG CB . 51361 2 210 . 2 . 1 46 46 ARG N N 15 119.568 . . 1 . . . . . 648 ARG N . 51361 2 211 . 2 . 1 47 47 THR H H 1 7.053 . . 1 . . . . . 649 THR H . 51361 2 212 . 2 . 1 47 47 THR C C 13 176.567 . . 1 . . . . . 649 THR C . 51361 2 213 . 2 . 1 47 47 THR CA C 13 61.940 . . 1 . . . . . 649 THR CA . 51361 2 214 . 2 . 1 47 47 THR CB C 13 70.256 . . 1 . . . . . 649 THR CB . 51361 2 215 . 2 . 1 47 47 THR N N 15 106.623 . . 1 . . . . . 649 THR N . 51361 2 216 . 2 . 1 48 48 GLY H H 1 8.636 . . 1 . . . . . 650 GLY H . 51361 2 217 . 2 . 1 48 48 GLY C C 13 173.860 . . 1 . . . . . 650 GLY C . 51361 2 218 . 2 . 1 48 48 GLY CA C 13 45.876 . . 1 . . . . . 650 GLY CA . 51361 2 219 . 2 . 1 48 48 GLY N N 15 111.418 . . 1 . . . . . 650 GLY N . 51361 2 220 . 2 . 1 49 49 GLU H H 1 7.238 . . 1 . . . . . 651 GLU H . 51361 2 221 . 2 . 1 49 49 GLU C C 13 173.806 . . 1 . . . . . 651 GLU C . 51361 2 222 . 2 . 1 49 49 GLU CA C 13 55.604 . . 1 . . . . . 651 GLU CA . 51361 2 223 . 2 . 1 49 49 GLU CB C 13 31.441 . . 1 . . . . . 651 GLU CB . 51361 2 224 . 2 . 1 49 49 GLU N N 15 118.799 . . 1 . . . . . 651 GLU N . 51361 2 225 . 2 . 1 50 50 ARG H H 1 8.546 . . 1 . . . . . 652 ARG H . 51361 2 226 . 2 . 1 50 50 ARG C C 13 176.303 . . 1 . . . . . 652 ARG C . 51361 2 227 . 2 . 1 50 50 ARG CA C 13 54.391 . . 1 . . . . . 652 ARG CA . 51361 2 228 . 2 . 1 50 50 ARG CB C 13 35.022 . . 1 . . . . . 652 ARG CB . 51361 2 229 . 2 . 1 50 50 ARG N N 15 118.269 . . 1 . . . . . 652 ARG N . 51361 2 230 . 2 . 1 51 51 GLY H H 1 8.591 . . 1 . . . . . 653 GLY H . 51361 2 231 . 2 . 1 51 51 GLY C C 13 171.749 . . 1 . . . . . 653 GLY C . 51361 2 232 . 2 . 1 51 51 GLY CA C 13 45.698 . . 1 . . . . . 653 GLY CA . 51361 2 233 . 2 . 1 51 51 GLY N N 15 108.621 . . 1 . . . . . 653 GLY N . 51361 2 234 . 2 . 1 52 52 VAL H H 1 8.768 . . 1 . . . . . 654 VAL H . 51361 2 235 . 2 . 1 52 52 VAL C C 13 176.684 . . 1 . . . . . 654 VAL C . 51361 2 236 . 2 . 1 52 52 VAL CA C 13 59.042 . . 1 . . . . . 654 VAL CA . 51361 2 237 . 2 . 1 52 52 VAL CB C 13 35.009 . . 1 . . . . . 654 VAL CB . 51361 2 238 . 2 . 1 52 52 VAL N N 15 112.819 . . 1 . . . . . 654 VAL N . 51361 2 239 . 2 . 1 53 53 PHE H H 1 9.021 . . 1 . . . . . 655 PHE H . 51361 2 240 . 2 . 1 53 53 PHE CA C 13 55.715 . . 1 . . . . . 655 PHE CA . 51361 2 241 . 2 . 1 53 53 PHE CB C 13 37.750 . . 1 . . . . . 655 PHE CB . 51361 2 242 . 2 . 1 53 53 PHE N N 15 116.453 . . 1 . . . . . 655 PHE N . 51361 2 243 . 2 . 1 54 54 PRO C C 13 177.527 . . 1 . . . . . 656 PRO C . 51361 2 244 . 2 . 1 54 54 PRO CA C 13 63.016 . . 1 . . . . . 656 PRO CA . 51361 2 245 . 2 . 1 54 54 PRO CB C 13 32.121 . . 1 . . . . . 656 PRO CB . 51361 2 246 . 2 . 1 55 55 ALA H H 1 7.684 . . 1 . . . . . 657 ALA H . 51361 2 247 . 2 . 1 55 55 ALA C C 13 178.024 . . 1 . . . . . 657 ALA C . 51361 2 248 . 2 . 1 55 55 ALA CA C 13 55.531 . . 1 . . . . . 657 ALA CA . 51361 2 249 . 2 . 1 55 55 ALA CB C 13 20.354 . . 1 . . . . . 657 ALA CB . 51361 2 250 . 2 . 1 55 55 ALA N N 15 122.448 . . 1 . . . . . 657 ALA N . 51361 2 251 . 2 . 1 56 56 PHE H H 1 7.172 . . 1 . . . . . 658 PHE H . 51361 2 252 . 2 . 1 56 56 PHE C C 13 174.539 . . 1 . . . . . 658 PHE C . 51361 2 253 . 2 . 1 56 56 PHE CA C 13 58.792 . . 1 . . . . . 658 PHE CA . 51361 2 254 . 2 . 1 56 56 PHE CB C 13 37.637 . . 1 . . . . . 658 PHE CB . 51361 2 255 . 2 . 1 56 56 PHE N N 15 111.053 . . 1 . . . . . 658 PHE N . 51361 2 256 . 2 . 1 57 57 TYR H H 1 7.861 . . 1 . . . . . 659 TYR H . 51361 2 257 . 2 . 1 57 57 TYR C C 13 174.710 . . 1 . . . . . 659 TYR C . 51361 2 258 . 2 . 1 57 57 TYR CA C 13 59.474 . . 1 . . . . . 659 TYR CA . 51361 2 259 . 2 . 1 57 57 TYR CB C 13 37.873 . . 1 . . . . . 659 TYR CB . 51361 2 260 . 2 . 1 57 57 TYR N N 15 115.093 . . 1 . . . . . 659 TYR N . 51361 2 261 . 2 . 1 58 58 ALA H H 1 7.730 . . 1 . . . . . 660 ALA H . 51361 2 262 . 2 . 1 58 58 ALA C C 13 174.830 . . 1 . . . . . 660 ALA C . 51361 2 263 . 2 . 1 58 58 ALA CA C 13 50.680 . . 1 . . . . . 660 ALA CA . 51361 2 264 . 2 . 1 58 58 ALA CB C 13 22.343 . . 1 . . . . . 660 ALA CB . 51361 2 265 . 2 . 1 58 58 ALA N N 15 120.272 . . 1 . . . . . 660 ALA N . 51361 2 266 . 2 . 1 59 59 HIS H H 1 8.686 . . 1 . . . . . 661 HIS H . 51361 2 267 . 2 . 1 59 59 HIS C C 13 174.619 . . 1 . . . . . 661 HIS C . 51361 2 268 . 2 . 1 59 59 HIS CA C 13 53.309 . . 1 . . . . . 661 HIS CA . 51361 2 269 . 2 . 1 59 59 HIS CB C 13 33.172 . . 1 . . . . . 661 HIS CB . 51361 2 270 . 2 . 1 59 59 HIS N N 15 118.591 . . 1 . . . . . 661 HIS N . 51361 2 271 . 2 . 1 60 60 ALA H H 1 8.871 . . 1 . . . . . 662 ALA H . 51361 2 272 . 2 . 1 60 60 ALA C C 13 177.571 . . 1 . . . . . 662 ALA C . 51361 2 273 . 2 . 1 60 60 ALA CA C 13 52.774 . . 1 . . . . . 662 ALA CA . 51361 2 274 . 2 . 1 60 60 ALA CB C 13 18.533 . . 1 . . . . . 662 ALA CB . 51361 2 275 . 2 . 1 60 60 ALA N N 15 129.083 . . 1 . . . . . 662 ALA N . 51361 2 276 . 2 . 1 61 61 VAL H H 1 7.798 . . 1 . . . . . 663 VAL H . 51361 2 277 . 2 . 1 61 61 VAL CA C 13 59.363 . . 1 . . . . . 663 VAL CA . 51361 2 278 . 2 . 1 61 61 VAL CB C 13 31.783 . . 1 . . . . . 663 VAL CB . 51361 2 279 . 2 . 1 61 61 VAL N N 15 119.589 . . 1 . . . . . 663 VAL N . 51361 2 280 . 2 . 1 62 62 PRO C C 13 176.404 . . 1 . . . . . 664 PRO C . 51361 2 281 . 2 . 1 62 62 PRO CA C 13 63.427 . . 1 . . . . . 664 PRO CA . 51361 2 282 . 2 . 1 62 62 PRO CB C 13 32.051 . . 1 . . . . . 664 PRO CB . 51361 2 283 . 2 . 1 63 63 GLY H H 1 7.826 . . 1 . . . . . 665 GLY H . 51361 2 284 . 2 . 1 63 63 GLY CA C 13 46.180 . . 1 . . . . . 665 GLY CA . 51361 2 285 . 2 . 1 63 63 GLY N N 15 115.129 . . 1 . . . . . 665 GLY N . 51361 2 stop_ save_