data_51522 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51522 _Entry.Title ; Region of Trak2 that interacts with Miro2 N-terminal GTPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-20 _Entry.Accession_date 2022-07-20 _Entry.Last_release_date 2022-07-20 _Entry.Original_release_date 2022-07-20 _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 'Assignment of human Trafficking Protein Kinesin 2 (Trak2) residues 551-630 that interact with human Miro2' _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 Cassandra Smith . E. . 0000-0002-8214-968X 51522 2 David Jones . N.M. . 0000-0002-7586-3543 51522 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Colorado School of Medicine' . 51522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 51522 '15N chemical shifts' 74 51522 '1H chemical shifts' 495 51522 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 . . 2022-08-22 . original BMRB . 51522 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51522 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Understanding the molecular basis for the interaction of the mitochondrial associated protein Miro2 N-terminal GTPase with the trafficking protein TRAK2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cassandra Smith . E. . . 51522 1 2 David Jones . N.M. . . 51522 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'miro2 GTPase, Trak2, NMR spectroscopy' 51522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51522 _Assembly.ID 1 _Assembly.Name 'Trak2 residue 551-630' _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 Trak2 1 $entity_1 . . yes native no no . . . 51522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51522 _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 ; GPLGSGFMPEKLQIVKPLEG SQTLYHWQQLAQPNLGTILD PRPGVITKGFTQLPGDAIYH ISDLEEDEEEGITFQVQQPL EVEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Ser5 corresponds to residue 551 in the native sequence.' _Entity.Polymer_author_seq_details 'The first four residues are non-native sequence from the affinity tag used for purification.' _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 84 _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 9343 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O60296 . TRAK2 . . . . . . . . . . . . . . 51522 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulator of trafficking' 51522 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 547 GLY . 51522 1 2 548 PRO . 51522 1 3 549 LEU . 51522 1 4 550 GLY . 51522 1 5 551 SER . 51522 1 6 552 GLY . 51522 1 7 553 PHE . 51522 1 8 554 MET . 51522 1 9 555 PRO . 51522 1 10 556 GLU . 51522 1 11 557 LYS . 51522 1 12 558 LEU . 51522 1 13 559 GLN . 51522 1 14 560 ILE . 51522 1 15 561 VAL . 51522 1 16 562 LYS . 51522 1 17 563 PRO . 51522 1 18 564 LEU . 51522 1 19 565 GLU . 51522 1 20 566 GLY . 51522 1 21 567 SER . 51522 1 22 568 GLN . 51522 1 23 569 THR . 51522 1 24 570 LEU . 51522 1 25 571 TYR . 51522 1 26 572 HIS . 51522 1 27 573 TRP . 51522 1 28 574 GLN . 51522 1 29 575 GLN . 51522 1 30 576 LEU . 51522 1 31 577 ALA . 51522 1 32 578 GLN . 51522 1 33 579 PRO . 51522 1 34 580 ASN . 51522 1 35 581 LEU . 51522 1 36 582 GLY . 51522 1 37 583 THR . 51522 1 38 584 ILE . 51522 1 39 585 LEU . 51522 1 40 586 ASP . 51522 1 41 587 PRO . 51522 1 42 588 ARG . 51522 1 43 589 PRO . 51522 1 44 590 GLY . 51522 1 45 591 VAL . 51522 1 46 592 ILE . 51522 1 47 593 THR . 51522 1 48 594 LYS . 51522 1 49 595 GLY . 51522 1 50 596 PHE . 51522 1 51 597 THR . 51522 1 52 598 GLN . 51522 1 53 599 LEU . 51522 1 54 600 PRO . 51522 1 55 601 GLY . 51522 1 56 602 ASP . 51522 1 57 603 ALA . 51522 1 58 604 ILE . 51522 1 59 605 TYR . 51522 1 60 606 HIS . 51522 1 61 607 ILE . 51522 1 62 608 SER . 51522 1 63 609 ASP . 51522 1 64 610 LEU . 51522 1 65 611 GLU . 51522 1 66 612 GLU . 51522 1 67 613 ASP . 51522 1 68 614 GLU . 51522 1 69 615 GLU . 51522 1 70 616 GLU . 51522 1 71 617 GLY . 51522 1 72 618 ILE . 51522 1 73 619 THR . 51522 1 74 620 PHE . 51522 1 75 621 GLN . 51522 1 76 622 VAL . 51522 1 77 623 GLN . 51522 1 78 624 GLN . 51522 1 79 625 PRO . 51522 1 80 626 LEU . 51522 1 81 627 GLU . 51522 1 82 628 VAL . 51522 1 83 629 GLU . 51522 1 84 630 GLU . 51522 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 51522 1 . PRO 2 2 51522 1 . LEU 3 3 51522 1 . GLY 4 4 51522 1 . SER 5 5 51522 1 . GLY 6 6 51522 1 . PHE 7 7 51522 1 . MET 8 8 51522 1 . PRO 9 9 51522 1 . GLU 10 10 51522 1 . LYS 11 11 51522 1 . LEU 12 12 51522 1 . GLN 13 13 51522 1 . ILE 14 14 51522 1 . VAL 15 15 51522 1 . LYS 16 16 51522 1 . PRO 17 17 51522 1 . LEU 18 18 51522 1 . GLU 19 19 51522 1 . GLY 20 20 51522 1 . SER 21 21 51522 1 . GLN 22 22 51522 1 . THR 23 23 51522 1 . LEU 24 24 51522 1 . TYR 25 25 51522 1 . HIS 26 26 51522 1 . TRP 27 27 51522 1 . GLN 28 28 51522 1 . GLN 29 29 51522 1 . LEU 30 30 51522 1 . ALA 31 31 51522 1 . GLN 32 32 51522 1 . PRO 33 33 51522 1 . ASN 34 34 51522 1 . LEU 35 35 51522 1 . GLY 36 36 51522 1 . THR 37 37 51522 1 . ILE 38 38 51522 1 . LEU 39 39 51522 1 . ASP 40 40 51522 1 . PRO 41 41 51522 1 . ARG 42 42 51522 1 . PRO 43 43 51522 1 . GLY 44 44 51522 1 . VAL 45 45 51522 1 . ILE 46 46 51522 1 . THR 47 47 51522 1 . LYS 48 48 51522 1 . GLY 49 49 51522 1 . PHE 50 50 51522 1 . THR 51 51 51522 1 . GLN 52 52 51522 1 . LEU 53 53 51522 1 . PRO 54 54 51522 1 . GLY 55 55 51522 1 . ASP 56 56 51522 1 . ALA 57 57 51522 1 . ILE 58 58 51522 1 . TYR 59 59 51522 1 . HIS 60 60 51522 1 . ILE 61 61 51522 1 . SER 62 62 51522 1 . ASP 63 63 51522 1 . LEU 64 64 51522 1 . GLU 65 65 51522 1 . GLU 66 66 51522 1 . ASP 67 67 51522 1 . GLU 68 68 51522 1 . GLU 69 69 51522 1 . GLU 70 70 51522 1 . GLY 71 71 51522 1 . ILE 72 72 51522 1 . THR 73 73 51522 1 . PHE 74 74 51522 1 . GLN 75 75 51522 1 . VAL 76 76 51522 1 . GLN 77 77 51522 1 . GLN 78 78 51522 1 . PRO 79 79 51522 1 . LEU 80 80 51522 1 . GLU 81 81 51522 1 . VAL 82 82 51522 1 . GLU 83 83 51522 1 . GLU 84 84 51522 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 51522 _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 . . . . . . . . . . . . . 51522 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 51522 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pGEX-6P1 . . . 51522 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51522 _Sample.ID 1 _Sample.Name sample1 _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 Trak2 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 700 . . uM . . . . 51522 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 51522 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51522 1 4 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 51522 1 5 sucrose 'natural abundance' . . . . . . 5 . . % . . . . 51522 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51522 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 51522 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition set 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51522 1 pH 7.5 . pH 51522 1 pressure 1 . atm 51522 1 temperature 293 . K 51522 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51522 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51522 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51522 _Software.ID 2 _Software.Type . _Software.Name VNMRj _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51522 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51522 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51522 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 51522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51522 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Varian 900' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51522 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51522 1 2 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51522 1 3 '3D HNCACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51522 1 4 '3D C(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 5 '3D H(CCO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 6 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 7 '2D (HB)CB(CGCD)HD' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 8 '2D 1H-13C HSQC aromatic' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 9 '2D 1H-13C HSQC aliphatic' yes . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 10 '3D HBHA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51522 1 11 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51522 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' hsqc.tar . 'NMR experiment directory' . . 51522 1 2 '3D CBCA(CO)NH' cbcaconh.fid.tar . 'NMR experiment directory' . . 51522 1 3 '3D HNCACB' hncacb.fid.tar . 'NMR experiment directory' . . 51522 1 4 '3D C(CO)NH' c_co_nh.fid.tar . 'NMR experiment directory' . . 51522 1 5 '3D H(CCO)NH' hc_co_nh.fid.tar . 'NMR experiment directory' . . 51522 1 6 '3D HNCO' hnco.tar . 'NMR experiment directory' . . 51522 1 7 '2D (HB)CB(CGCD)HD' hd_cdcgcb.fid.tar . 'NMR experiment directory' . . 51522 1 8 '2D 1H-13C HSQC aromatic' c13-hsqc-arom.fid.tar . 'NMR experiment directory' . . 51522 1 9 '2D 1H-13C HSQC aliphatic' c13-hsqc-aliph.fid.tar . 'NMR experiment directory' . . 51522 1 10 '3D HBHA(CO)NH' hbha_co_nh.fid.tar . 'NMR experiment directory' . . 51522 1 11 '1D 1H' trak2_1D-ref.fid.tar . 'NMR experiment directory' . . 51522 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 51522 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'IUPAC realtive to 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 0.00 na indirect 0.251449530 . . . . . 51522 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51522 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51522 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 51522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'trak2 551-630' _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' . . . 51522 1 2 '3D CBCA(CO)NH' . . . 51522 1 3 '3D HNCACB' . . . 51522 1 4 '3D C(CO)NH' . . . 51522 1 5 '3D H(CCO)NH' . . . 51522 1 6 '3D HNCO' . . . 51522 1 7 '2D (HB)CB(CGCD)HD' . . . 51522 1 8 '2D 1H-13C HSQC aromatic' . . . 51522 1 9 '2D 1H-13C HSQC aliphatic' . . . 51522 1 10 '3D HBHA(CO)NH' . . . 51522 1 11 '1D 1H' . . . 51522 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 3 $software_3 . . 51522 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 PRO HA H 1 4.395 0.001 . 1 . . . . . 548 PRO HA . 51522 1 2 . 1 . 1 2 2 PRO HB2 H 1 1.865 0.000 . 2 . . . . . 548 PRO HB2 . 51522 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.239 0.000 . 2 . . . . . 548 PRO HB3 . 51522 1 4 . 1 . 1 2 2 PRO HG2 H 1 1.936 0.000 . 1 . . . . . 548 PRO HG2 . 51522 1 5 . 1 . 1 2 2 PRO HG3 H 1 1.936 0.000 . 1 . . . . . 548 PRO HG3 . 51522 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.503 0.000 . 1 . . . . . 548 PRO HD2 . 51522 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.503 0.000 . 1 . . . . . 548 PRO HD3 . 51522 1 8 . 1 . 1 2 2 PRO C C 13 176.957 0.000 . 1 . . . . . 548 PRO C . 51522 1 9 . 1 . 1 2 2 PRO CA C 13 63.100 0.000 . 1 . . . . . 548 PRO CA . 51522 1 10 . 1 . 1 2 2 PRO CB C 13 32.313 0.000 . 1 . . . . . 548 PRO CB . 51522 1 11 . 1 . 1 2 2 PRO CG C 13 26.999 0.000 . 1 . . . . . 548 PRO CG . 51522 1 12 . 1 . 1 2 2 PRO CD C 13 49.522 0.000 . 1 . . . . . 548 PRO CD . 51522 1 13 . 1 . 1 3 3 LEU H H 1 8.497 0.003 . 1 . . . . . 549 LEU H . 51522 1 14 . 1 . 1 3 3 LEU HA H 1 4.292 0.000 . 1 . . . . . 549 LEU HA . 51522 1 15 . 1 . 1 3 3 LEU HB2 H 1 1.525 0.001 . 2 . . . . . 549 LEU HB2 . 51522 1 16 . 1 . 1 3 3 LEU HB3 H 1 1.608 0.003 . 2 . . . . . 549 LEU HB3 . 51522 1 17 . 1 . 1 3 3 LEU HD11 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD11 . 51522 1 18 . 1 . 1 3 3 LEU HD12 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD12 . 51522 1 19 . 1 . 1 3 3 LEU HD13 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD13 . 51522 1 20 . 1 . 1 3 3 LEU HD21 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD21 . 51522 1 21 . 1 . 1 3 3 LEU HD22 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD22 . 51522 1 22 . 1 . 1 3 3 LEU HD23 H 1 0.838 0.000 . 1 . . . . . 549 LEU HD23 . 51522 1 23 . 1 . 1 3 3 LEU C C 13 177.910 0.000 . 1 . . . . . 549 LEU C . 51522 1 24 . 1 . 1 3 3 LEU CA C 13 55.383 0.007 . 1 . . . . . 549 LEU CA . 51522 1 25 . 1 . 1 3 3 LEU CB C 13 42.304 0.013 . 1 . . . . . 549 LEU CB . 51522 1 26 . 1 . 1 3 3 LEU CG C 13 26.963 0.000 . 1 . . . . . 549 LEU CG . 51522 1 27 . 1 . 1 3 3 LEU CD1 C 13 23.451 0.000 . 1 . . . . . 549 LEU CD1 . 51522 1 28 . 1 . 1 3 3 LEU CD2 C 13 24.792 0.000 . 1 . . . . . 549 LEU CD2 . 51522 1 29 . 1 . 1 3 3 LEU N N 15 122.352 0.002 . 1 . . . . . 549 LEU N . 51522 1 30 . 1 . 1 4 4 GLY H H 1 8.391 0.002 . 1 . . . . . 550 GLY H . 51522 1 31 . 1 . 1 4 4 GLY CA C 13 45.281 0.000 . 1 . . . . . 550 GLY CA . 51522 1 32 . 1 . 1 4 4 GLY N N 15 109.901 0.009 . 1 . . . . . 550 GLY N . 51522 1 33 . 1 . 1 5 5 SER HA H 1 4.369 0.000 . 1 . . . . . 551 SER HA . 51522 1 34 . 1 . 1 5 5 SER HB2 H 1 3.812 0.001 . 1 . . . . . 551 SER HB2 . 51522 1 35 . 1 . 1 5 5 SER HB3 H 1 3.812 0.001 . 1 . . . . . 551 SER HB3 . 51522 1 36 . 1 . 1 5 5 SER C C 13 175.003 0.000 . 1 . . . . . 551 SER C . 51522 1 37 . 1 . 1 5 5 SER CA C 13 58.604 0.000 . 1 . . . . . 551 SER CA . 51522 1 38 . 1 . 1 5 5 SER CB C 13 63.902 0.000 . 1 . . . . . 551 SER CB . 51522 1 39 . 1 . 1 6 6 GLY H H 1 8.445 0.003 . 1 . . . . . 552 GLY H . 51522 1 40 . 1 . 1 6 6 GLY HA2 H 1 3.843 0.000 . 1 . . . . . 552 GLY HA2 . 51522 1 41 . 1 . 1 6 6 GLY HA3 H 1 3.843 0.000 . 1 . . . . . 552 GLY HA3 . 51522 1 42 . 1 . 1 6 6 GLY CA C 13 45.183 0.007 . 1 . . . . . 552 GLY CA . 51522 1 43 . 1 . 1 6 6 GLY N N 15 110.567 0.004 . 1 . . . . . 552 GLY N . 51522 1 44 . 1 . 1 7 7 PHE H H 1 8.017 0.001 . 1 . . . . . 553 PHE H . 51522 1 45 . 1 . 1 7 7 PHE HA H 1 4.536 0.000 . 1 . . . . . 553 PHE HA . 51522 1 46 . 1 . 1 7 7 PHE HB2 H 1 2.976 0.002 . 1 . . . . . 553 PHE HB2 . 51522 1 47 . 1 . 1 7 7 PHE HB3 H 1 2.976 0.002 . 1 . . . . . 553 PHE HB3 . 51522 1 48 . 1 . 1 7 7 PHE C C 13 175.187 0.000 . 1 . . . . . 553 PHE C . 51522 1 49 . 1 . 1 7 7 PHE CA C 13 57.740 0.042 . 1 . . . . . 553 PHE CA . 51522 1 50 . 1 . 1 7 7 PHE CB C 13 39.722 0.029 . 1 . . . . . 553 PHE CB . 51522 1 51 . 1 . 1 7 7 PHE N N 15 120.012 0.020 . 1 . . . . . 553 PHE N . 51522 1 52 . 1 . 1 8 8 MET H H 1 8.183 0.002 . 1 . . . . . 554 MET H . 51522 1 53 . 1 . 1 8 8 MET CA C 13 52.815 0.000 . 1 . . . . . 554 MET CA . 51522 1 54 . 1 . 1 8 8 MET CB C 13 32.849 0.000 . 1 . . . . . 554 MET CB . 51522 1 55 . 1 . 1 8 8 MET N N 15 124.315 0.081 . 1 . . . . . 554 MET N . 51522 1 56 . 1 . 1 9 9 PRO HA H 1 4.256 0.001 . 1 . . . . . 555 PRO HA . 51522 1 57 . 1 . 1 9 9 PRO HB2 H 1 1.840 0.000 . 2 . . . . . 555 PRO HB2 . 51522 1 58 . 1 . 1 9 9 PRO HB3 H 1 2.241 0.002 . 2 . . . . . 555 PRO HB3 . 51522 1 59 . 1 . 1 9 9 PRO HG2 H 1 1.934 0.000 . 1 . . . . . 555 PRO HG2 . 51522 1 60 . 1 . 1 9 9 PRO HG3 H 1 1.934 0.000 . 1 . . . . . 555 PRO HG3 . 51522 1 61 . 1 . 1 9 9 PRO HD2 H 1 3.582 0.000 . 1 . . . . . 555 PRO HD2 . 51522 1 62 . 1 . 1 9 9 PRO HD3 H 1 3.582 0.000 . 1 . . . . . 555 PRO HD3 . 51522 1 63 . 1 . 1 9 9 PRO C C 13 176.849 0.006 . 1 . . . . . 555 PRO C . 51522 1 64 . 1 . 1 9 9 PRO CA C 13 63.145 0.027 . 1 . . . . . 555 PRO CA . 51522 1 65 . 1 . 1 9 9 PRO CB C 13 32.035 0.055 . 1 . . . . . 555 PRO CB . 51522 1 66 . 1 . 1 9 9 PRO CG C 13 27.232 0.000 . 1 . . . . . 555 PRO CG . 51522 1 67 . 1 . 1 9 9 PRO CD C 13 50.491 0.000 . 1 . . . . . 555 PRO CD . 51522 1 68 . 1 . 1 10 10 GLU H H 1 8.570 0.004 . 1 . . . . . 556 GLU H . 51522 1 69 . 1 . 1 10 10 GLU HA H 1 4.122 0.000 . 1 . . . . . 556 GLU HA . 51522 1 70 . 1 . 1 10 10 GLU HB2 H 1 1.888 0.000 . 2 . . . . . 556 GLU HB2 . 51522 1 71 . 1 . 1 10 10 GLU HB3 H 1 1.946 0.000 . 2 . . . . . 556 GLU HB3 . 51522 1 72 . 1 . 1 10 10 GLU HG2 H 1 2.214 0.000 . 1 . . . . . 556 GLU HG2 . 51522 1 73 . 1 . 1 10 10 GLU HG3 H 1 2.214 0.000 . 1 . . . . . 556 GLU HG3 . 51522 1 74 . 1 . 1 10 10 GLU C C 13 176.607 0.000 . 1 . . . . . 556 GLU C . 51522 1 75 . 1 . 1 10 10 GLU CA C 13 56.970 0.044 . 1 . . . . . 556 GLU CA . 51522 1 76 . 1 . 1 10 10 GLU CB C 13 30.271 0.013 . 1 . . . . . 556 GLU CB . 51522 1 77 . 1 . 1 10 10 GLU CG C 13 36.226 0.000 . 1 . . . . . 556 GLU CG . 51522 1 78 . 1 . 1 10 10 GLU N N 15 121.058 0.017 . 1 . . . . . 556 GLU N . 51522 1 79 . 1 . 1 11 11 LYS H H 1 8.277 0.002 . 1 . . . . . 557 LYS H . 51522 1 80 . 1 . 1 11 11 LYS HA H 1 4.217 0.000 . 1 . . . . . 557 LYS HA . 51522 1 81 . 1 . 1 11 11 LYS HB2 H 1 1.723 0.000 . 1 . . . . . 557 LYS HB2 . 51522 1 82 . 1 . 1 11 11 LYS HB3 H 1 1.723 0.000 . 1 . . . . . 557 LYS HB3 . 51522 1 83 . 1 . 1 11 11 LYS HG2 H 1 1.351 0.000 . 1 . . . . . 557 LYS HG2 . 51522 1 84 . 1 . 1 11 11 LYS HG3 H 1 1.351 0.000 . 1 . . . . . 557 LYS HG3 . 51522 1 85 . 1 . 1 11 11 LYS HD2 H 1 1.617 0.000 . 1 . . . . . 557 LYS HD2 . 51522 1 86 . 1 . 1 11 11 LYS HD3 H 1 1.617 0.000 . 1 . . . . . 557 LYS HD3 . 51522 1 87 . 1 . 1 11 11 LYS C C 13 176.252 0.000 . 1 . . . . . 557 LYS C . 51522 1 88 . 1 . 1 11 11 LYS CA C 13 56.359 0.042 . 1 . . . . . 557 LYS CA . 51522 1 89 . 1 . 1 11 11 LYS CB C 13 32.921 0.012 . 1 . . . . . 557 LYS CB . 51522 1 90 . 1 . 1 11 11 LYS N N 15 122.005 0.034 . 1 . . . . . 557 LYS N . 51522 1 91 . 1 . 1 12 12 LEU H H 1 8.142 0.004 . 1 . . . . . 558 LEU H . 51522 1 92 . 1 . 1 12 12 LEU HA H 1 4.259 0.000 . 1 . . . . . 558 LEU HA . 51522 1 93 . 1 . 1 12 12 LEU HB2 H 1 1.538 0.001 . 1 . . . . . 558 LEU HB2 . 51522 1 94 . 1 . 1 12 12 LEU HB3 H 1 1.538 0.001 . 1 . . . . . 558 LEU HB3 . 51522 1 95 . 1 . 1 12 12 LEU HD11 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD11 . 51522 1 96 . 1 . 1 12 12 LEU HD12 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD12 . 51522 1 97 . 1 . 1 12 12 LEU HD13 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD13 . 51522 1 98 . 1 . 1 12 12 LEU HD21 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD21 . 51522 1 99 . 1 . 1 12 12 LEU HD22 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD22 . 51522 1 100 . 1 . 1 12 12 LEU HD23 H 1 0.824 0.000 . 1 . . . . . 558 LEU HD23 . 51522 1 101 . 1 . 1 12 12 LEU C C 13 176.974 0.000 . 1 . . . . . 558 LEU C . 51522 1 102 . 1 . 1 12 12 LEU CA C 13 55.087 0.007 . 1 . . . . . 558 LEU CA . 51522 1 103 . 1 . 1 12 12 LEU CB C 13 42.492 0.018 . 1 . . . . . 558 LEU CB . 51522 1 104 . 1 . 1 12 12 LEU CD1 C 13 23.503 0.000 . 1 . . . . . 558 LEU CD1 . 51522 1 105 . 1 . 1 12 12 LEU CD2 C 13 24.837 0.000 . 1 . . . . . 558 LEU CD2 . 51522 1 106 . 1 . 1 12 12 LEU N N 15 123.233 0.084 . 1 . . . . . 558 LEU N . 51522 1 107 . 1 . 1 13 13 GLN H H 1 8.321 0.002 . 1 . . . . . 559 GLN H . 51522 1 108 . 1 . 1 13 13 GLN HA H 1 4.286 0.000 . 1 . . . . . 559 GLN HA . 51522 1 109 . 1 . 1 13 13 GLN HB2 H 1 1.887 0.000 . 2 . . . . . 559 GLN HB2 . 51522 1 110 . 1 . 1 13 13 GLN HB3 H 1 1.992 0.000 . 2 . . . . . 559 GLN HB3 . 51522 1 111 . 1 . 1 13 13 GLN HG2 H 1 2.263 0.000 . 1 . . . . . 559 GLN HG2 . 51522 1 112 . 1 . 1 13 13 GLN HG3 H 1 2.263 0.000 . 1 . . . . . 559 GLN HG3 . 51522 1 113 . 1 . 1 13 13 GLN C C 13 175.438 0.000 . 1 . . . . . 559 GLN C . 51522 1 114 . 1 . 1 13 13 GLN CA C 13 55.514 0.042 . 1 . . . . . 559 GLN CA . 51522 1 115 . 1 . 1 13 13 GLN CB C 13 29.488 0.021 . 1 . . . . . 559 GLN CB . 51522 1 116 . 1 . 1 13 13 GLN CG C 13 33.630 0.000 . 1 . . . . . 559 GLN CG . 51522 1 117 . 1 . 1 13 13 GLN N N 15 121.815 0.033 . 1 . . . . . 559 GLN N . 51522 1 118 . 1 . 1 14 14 ILE H H 1 8.156 0.002 . 1 . . . . . 560 ILE H . 51522 1 119 . 1 . 1 14 14 ILE HA H 1 4.107 0.000 . 1 . . . . . 560 ILE HA . 51522 1 120 . 1 . 1 14 14 ILE HB H 1 1.772 0.000 . 1 . . . . . 560 ILE HB . 51522 1 121 . 1 . 1 14 14 ILE HG12 H 1 1.106 0.000 . 2 . . . . . 560 ILE HG12 . 51522 1 122 . 1 . 1 14 14 ILE HG13 H 1 1.401 0.000 . 2 . . . . . 560 ILE HG13 . 51522 1 123 . 1 . 1 14 14 ILE HG21 H 1 0.801 0.000 . 1 . . . . . 560 ILE HG21 . 51522 1 124 . 1 . 1 14 14 ILE HG22 H 1 0.801 0.000 . 1 . . . . . 560 ILE HG22 . 51522 1 125 . 1 . 1 14 14 ILE HG23 H 1 0.801 0.000 . 1 . . . . . 560 ILE HG23 . 51522 1 126 . 1 . 1 14 14 ILE HD11 H 1 0.801 0.000 . 1 . . . . . 560 ILE HD11 . 51522 1 127 . 1 . 1 14 14 ILE HD12 H 1 0.801 0.000 . 1 . . . . . 560 ILE HD12 . 51522 1 128 . 1 . 1 14 14 ILE HD13 H 1 0.801 0.000 . 1 . . . . . 560 ILE HD13 . 51522 1 129 . 1 . 1 14 14 ILE C C 13 175.953 0.000 . 1 . . . . . 560 ILE C . 51522 1 130 . 1 . 1 14 14 ILE CA C 13 60.974 0.021 . 1 . . . . . 560 ILE CA . 51522 1 131 . 1 . 1 14 14 ILE CB C 13 38.722 0.015 . 1 . . . . . 560 ILE CB . 51522 1 132 . 1 . 1 14 14 ILE CG1 C 13 27.205 0.000 . 1 . . . . . 560 ILE CG1 . 51522 1 133 . 1 . 1 14 14 ILE CG2 C 13 17.432 0.000 . 1 . . . . . 560 ILE CG2 . 51522 1 134 . 1 . 1 14 14 ILE CD1 C 13 12.777 0.000 . 1 . . . . . 560 ILE CD1 . 51522 1 135 . 1 . 1 14 14 ILE N N 15 122.861 0.004 . 1 . . . . . 560 ILE N . 51522 1 136 . 1 . 1 15 15 VAL H H 1 8.238 0.002 . 1 . . . . . 561 VAL H . 51522 1 137 . 1 . 1 15 15 VAL HA H 1 4.043 0.000 . 1 . . . . . 561 VAL HA . 51522 1 138 . 1 . 1 15 15 VAL HB H 1 1.941 0.002 . 1 . . . . . 561 VAL HB . 51522 1 139 . 1 . 1 15 15 VAL HG11 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG11 . 51522 1 140 . 1 . 1 15 15 VAL HG12 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG12 . 51522 1 141 . 1 . 1 15 15 VAL HG13 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG13 . 51522 1 142 . 1 . 1 15 15 VAL HG21 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG21 . 51522 1 143 . 1 . 1 15 15 VAL HG22 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG22 . 51522 1 144 . 1 . 1 15 15 VAL HG23 H 1 0.837 0.000 . 1 . . . . . 561 VAL HG23 . 51522 1 145 . 1 . 1 15 15 VAL C C 13 175.517 0.000 . 1 . . . . . 561 VAL C . 51522 1 146 . 1 . 1 15 15 VAL CA C 13 62.082 0.016 . 1 . . . . . 561 VAL CA . 51522 1 147 . 1 . 1 15 15 VAL CB C 13 32.778 0.029 . 1 . . . . . 561 VAL CB . 51522 1 148 . 1 . 1 15 15 VAL CG1 C 13 20.852 0.000 . 1 . . . . . 561 VAL CG1 . 51522 1 149 . 1 . 1 15 15 VAL CG2 C 13 20.852 0.000 . 1 . . . . . 561 VAL CG2 . 51522 1 150 . 1 . 1 15 15 VAL N N 15 125.372 0.003 . 1 . . . . . 561 VAL N . 51522 1 151 . 1 . 1 16 16 LYS H H 1 8.371 0.002 . 1 . . . . . 562 LYS H . 51522 1 152 . 1 . 1 16 16 LYS CA C 13 54.115 0.000 . 1 . . . . . 562 LYS CA . 51522 1 153 . 1 . 1 16 16 LYS CB C 13 32.707 0.000 . 1 . . . . . 562 LYS CB . 51522 1 154 . 1 . 1 16 16 LYS N N 15 127.175 0.009 . 1 . . . . . 562 LYS N . 51522 1 155 . 1 . 1 17 17 PRO HB2 H 1 1.820 0.004 . 2 . . . . . 563 PRO HB2 . 51522 1 156 . 1 . 1 17 17 PRO HB3 H 1 2.200 0.002 . 2 . . . . . 563 PRO HB3 . 51522 1 157 . 1 . 1 17 17 PRO HG2 H 1 1.926 0.000 . 1 . . . . . 563 PRO HG2 . 51522 1 158 . 1 . 1 17 17 PRO HG3 H 1 1.926 0.000 . 1 . . . . . 563 PRO HG3 . 51522 1 159 . 1 . 1 17 17 PRO HD2 H 1 3.771 0.000 . 2 . . . . . 563 PRO HD2 . 51522 1 160 . 1 . 1 17 17 PRO HD3 H 1 3.554 0.000 . 2 . . . . . 563 PRO HD3 . 51522 1 161 . 1 . 1 17 17 PRO C C 13 176.768 0.000 . 1 . . . . . 563 PRO C . 51522 1 162 . 1 . 1 17 17 PRO CA C 13 62.932 0.020 . 1 . . . . . 563 PRO CA . 51522 1 163 . 1 . 1 17 17 PRO CB C 13 32.115 0.051 . 1 . . . . . 563 PRO CB . 51522 1 164 . 1 . 1 17 17 PRO CG C 13 27.324 0.000 . 1 . . . . . 563 PRO CG . 51522 1 165 . 1 . 1 17 17 PRO CD C 13 50.540 0.000 . 1 . . . . . 563 PRO CD . 51522 1 166 . 1 . 1 18 18 LEU H H 1 8.342 0.001 . 1 . . . . . 564 LEU H . 51522 1 167 . 1 . 1 18 18 LEU HA H 1 4.217 0.000 . 1 . . . . . 564 LEU HA . 51522 1 168 . 1 . 1 18 18 LEU HB2 H 1 1.493 0.000 . 2 . . . . . 564 LEU HB2 . 51522 1 169 . 1 . 1 18 18 LEU HB3 H 1 1.574 0.005 . 2 . . . . . 564 LEU HB3 . 51522 1 170 . 1 . 1 18 18 LEU HD11 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD11 . 51522 1 171 . 1 . 1 18 18 LEU HD12 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD12 . 51522 1 172 . 1 . 1 18 18 LEU HD13 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD13 . 51522 1 173 . 1 . 1 18 18 LEU HD21 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD21 . 51522 1 174 . 1 . 1 18 18 LEU HD22 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD22 . 51522 1 175 . 1 . 1 18 18 LEU HD23 H 1 0.839 0.000 . 1 . . . . . 564 LEU HD23 . 51522 1 176 . 1 . 1 18 18 LEU C C 13 177.583 0.000 . 1 . . . . . 564 LEU C . 51522 1 177 . 1 . 1 18 18 LEU CA C 13 55.285 0.020 . 1 . . . . . 564 LEU CA . 51522 1 178 . 1 . 1 18 18 LEU CB C 13 42.268 0.011 . 1 . . . . . 564 LEU CB . 51522 1 179 . 1 . 1 18 18 LEU CD1 C 13 23.548 0.000 . 1 . . . . . 564 LEU CD1 . 51522 1 180 . 1 . 1 18 18 LEU CD2 C 13 24.839 0.000 . 1 . . . . . 564 LEU CD2 . 51522 1 181 . 1 . 1 18 18 LEU N N 15 122.390 0.004 . 1 . . . . . 564 LEU N . 51522 1 182 . 1 . 1 19 19 GLU H H 1 8.415 0.002 . 1 . . . . . 565 GLU H . 51522 1 183 . 1 . 1 19 19 GLU HA H 1 4.224 0.001 . 1 . . . . . 565 GLU HA . 51522 1 184 . 1 . 1 19 19 GLU HB2 H 1 1.905 0.000 . 2 . . . . . 565 GLU HB2 . 51522 1 185 . 1 . 1 19 19 GLU HB3 H 1 1.987 0.000 . 2 . . . . . 565 GLU HB3 . 51522 1 186 . 1 . 1 19 19 GLU HG2 H 1 2.207 0.000 . 1 . . . . . 565 GLU HG2 . 51522 1 187 . 1 . 1 19 19 GLU HG3 H 1 2.207 0.000 . 1 . . . . . 565 GLU HG3 . 51522 1 188 . 1 . 1 19 19 GLU C C 13 176.935 0.000 . 1 . . . . . 565 GLU C . 51522 1 189 . 1 . 1 19 19 GLU CA C 13 56.779 0.004 . 1 . . . . . 565 GLU CA . 51522 1 190 . 1 . 1 19 19 GLU CB C 13 30.386 0.017 . 1 . . . . . 565 GLU CB . 51522 1 191 . 1 . 1 19 19 GLU CG C 13 36.147 0.000 . 1 . . . . . 565 GLU CG . 51522 1 192 . 1 . 1 19 19 GLU N N 15 122.164 0.004 . 1 . . . . . 565 GLU N . 51522 1 193 . 1 . 1 20 20 GLY H H 1 8.472 0.002 . 1 . . . . . 566 GLY H . 51522 1 194 . 1 . 1 20 20 GLY HA2 H 1 3.891 0.000 . 2 . . . . . 566 GLY HA2 . 51522 1 195 . 1 . 1 20 20 GLY HA3 H 1 3.975 0.000 . 2 . . . . . 566 GLY HA3 . 51522 1 196 . 1 . 1 20 20 GLY C C 13 174.356 0.000 . 1 . . . . . 566 GLY C . 51522 1 197 . 1 . 1 20 20 GLY CA C 13 45.416 0.010 . 1 . . . . . 566 GLY CA . 51522 1 198 . 1 . 1 20 20 GLY N N 15 110.450 0.003 . 1 . . . . . 566 GLY N . 51522 1 199 . 1 . 1 21 21 SER H H 1 8.205 0.003 . 1 . . . . . 567 SER H . 51522 1 200 . 1 . 1 21 21 SER HA H 1 4.371 0.000 . 1 . . . . . 567 SER HA . 51522 1 201 . 1 . 1 21 21 SER HB2 H 1 3.827 0.000 . 1 . . . . . 567 SER HB2 . 51522 1 202 . 1 . 1 21 21 SER HB3 H 1 3.827 0.000 . 1 . . . . . 567 SER HB3 . 51522 1 203 . 1 . 1 21 21 SER C C 13 174.786 0.000 . 1 . . . . . 567 SER C . 51522 1 204 . 1 . 1 21 21 SER CA C 13 58.650 0.016 . 1 . . . . . 567 SER CA . 51522 1 205 . 1 . 1 21 21 SER CB C 13 63.768 0.072 . 1 . . . . . 567 SER CB . 51522 1 206 . 1 . 1 21 21 SER N N 15 115.498 0.002 . 1 . . . . . 567 SER N . 51522 1 207 . 1 . 1 22 22 GLN H H 1 8.487 0.002 . 1 . . . . . 568 GLN H . 51522 1 208 . 1 . 1 22 22 GLN HA H 1 4.320 0.000 . 1 . . . . . 568 GLN HA . 51522 1 209 . 1 . 1 22 22 GLN HB2 H 1 1.932 0.000 . 2 . . . . . 568 GLN HB2 . 51522 1 210 . 1 . 1 22 22 GLN HB3 H 1 2.071 0.000 . 2 . . . . . 568 GLN HB3 . 51522 1 211 . 1 . 1 22 22 GLN HG2 H 1 2.285 0.000 . 1 . . . . . 568 GLN HG2 . 51522 1 212 . 1 . 1 22 22 GLN HG3 H 1 2.285 0.000 . 1 . . . . . 568 GLN HG3 . 51522 1 213 . 1 . 1 22 22 GLN C C 13 176.082 0.000 . 1 . . . . . 568 GLN C . 51522 1 214 . 1 . 1 22 22 GLN CA C 13 56.099 0.016 . 1 . . . . . 568 GLN CA . 51522 1 215 . 1 . 1 22 22 GLN CB C 13 29.380 0.025 . 1 . . . . . 568 GLN CB . 51522 1 216 . 1 . 1 22 22 GLN CG C 13 33.716 0.000 . 1 . . . . . 568 GLN CG . 51522 1 217 . 1 . 1 22 22 GLN N N 15 121.959 0.011 . 1 . . . . . 568 GLN N . 51522 1 218 . 1 . 1 23 23 THR H H 1 8.100 0.003 . 1 . . . . . 569 THR H . 51522 1 219 . 1 . 1 23 23 THR HA H 1 4.157 0.001 . 1 . . . . . 569 THR HA . 51522 1 220 . 1 . 1 23 23 THR HB H 1 4.046 0.002 . 1 . . . . . 569 THR HB . 51522 1 221 . 1 . 1 23 23 THR HG21 H 1 1.028 0.000 . 1 . . . . . 569 THR HG21 . 51522 1 222 . 1 . 1 23 23 THR HG22 H 1 1.028 0.000 . 1 . . . . . 569 THR HG22 . 51522 1 223 . 1 . 1 23 23 THR HG23 H 1 1.028 0.000 . 1 . . . . . 569 THR HG23 . 51522 1 224 . 1 . 1 23 23 THR C C 13 174.167 0.000 . 1 . . . . . 569 THR C . 51522 1 225 . 1 . 1 23 23 THR CA C 13 62.313 0.069 . 1 . . . . . 569 THR CA . 51522 1 226 . 1 . 1 23 23 THR CB C 13 69.688 0.032 . 1 . . . . . 569 THR CB . 51522 1 227 . 1 . 1 23 23 THR CG2 C 13 21.695 0.000 . 1 . . . . . 569 THR CG2 . 51522 1 228 . 1 . 1 23 23 THR N N 15 115.407 0.004 . 1 . . . . . 569 THR N . 51522 1 229 . 1 . 1 24 24 LEU H H 1 8.062 0.004 . 1 . . . . . 570 LEU H . 51522 1 230 . 1 . 1 24 24 LEU HA H 1 4.211 0.000 . 1 . . . . . 570 LEU HA . 51522 1 231 . 1 . 1 24 24 LEU HB2 H 1 1.315 0.001 . 2 . . . . . 570 LEU HB2 . 51522 1 232 . 1 . 1 24 24 LEU HB3 H 1 1.414 0.002 . 2 . . . . . 570 LEU HB3 . 51522 1 233 . 1 . 1 24 24 LEU HD11 H 1 0.731 0.000 . 2 . . . . . 570 LEU HD11 . 51522 1 234 . 1 . 1 24 24 LEU HD12 H 1 0.731 0.000 . 2 . . . . . 570 LEU HD12 . 51522 1 235 . 1 . 1 24 24 LEU HD13 H 1 0.731 0.000 . 2 . . . . . 570 LEU HD13 . 51522 1 236 . 1 . 1 24 24 LEU HD21 H 1 0.780 0.000 . 2 . . . . . 570 LEU HD21 . 51522 1 237 . 1 . 1 24 24 LEU HD22 H 1 0.780 0.000 . 2 . . . . . 570 LEU HD22 . 51522 1 238 . 1 . 1 24 24 LEU HD23 H 1 0.780 0.000 . 2 . . . . . 570 LEU HD23 . 51522 1 239 . 1 . 1 24 24 LEU CA C 13 55.355 0.019 . 1 . . . . . 570 LEU CA . 51522 1 240 . 1 . 1 24 24 LEU CB C 13 42.467 0.035 . 1 . . . . . 570 LEU CB . 51522 1 241 . 1 . 1 24 24 LEU CD1 C 13 23.661 0.000 . 2 . . . . . 570 LEU CD1 . 51522 1 242 . 1 . 1 24 24 LEU CD2 C 13 24.781 0.000 . 2 . . . . . 570 LEU CD2 . 51522 1 243 . 1 . 1 24 24 LEU N N 15 124.095 0.011 . 1 . . . . . 570 LEU N . 51522 1 244 . 1 . 1 25 25 TYR H H 1 8.016 0.003 . 1 . . . . . 571 TYR H . 51522 1 245 . 1 . 1 25 25 TYR HD1 H 1 6.965 0.000 . 1 . . . . . 571 TYR HD1 . 51522 1 246 . 1 . 1 25 25 TYR HD2 H 1 6.965 0.000 . 1 . . . . . 571 TYR HD2 . 51522 1 247 . 1 . 1 25 25 TYR HE1 H 1 6.768 0.000 . 1 . . . . . 571 TYR HE1 . 51522 1 248 . 1 . 1 25 25 TYR HE2 H 1 6.768 0.000 . 1 . . . . . 571 TYR HE2 . 51522 1 249 . 1 . 1 25 25 TYR CA C 13 57.800 0.000 . 1 . . . . . 571 TYR CA . 51522 1 250 . 1 . 1 25 25 TYR CB C 13 38.845 0.019 . 1 . . . . . 571 TYR CB . 51522 1 251 . 1 . 1 25 25 TYR CD1 C 13 133.045 0.000 . 1 . . . . . 571 TYR CD1 . 51522 1 252 . 1 . 1 25 25 TYR CD2 C 13 133.045 0.000 . 1 . . . . . 571 TYR CD2 . 51522 1 253 . 1 . 1 25 25 TYR CE1 C 13 118.107 0.000 . 1 . . . . . 571 TYR CE1 . 51522 1 254 . 1 . 1 25 25 TYR CE2 C 13 118.107 0.000 . 1 . . . . . 571 TYR CE2 . 51522 1 255 . 1 . 1 25 25 TYR N N 15 119.992 0.006 . 1 . . . . . 571 TYR N . 51522 1 256 . 1 . 1 26 26 HIS HA H 1 4.410 0.000 . 1 . . . . . 572 HIS HA . 51522 1 257 . 1 . 1 26 26 HIS HB2 H 1 2.990 0.000 . 1 . . . . . 572 HIS HB2 . 51522 1 258 . 1 . 1 26 26 HIS HB3 H 1 2.990 0.000 . 1 . . . . . 572 HIS HB3 . 51522 1 259 . 1 . 1 26 26 HIS C C 13 175.489 0.000 . 1 . . . . . 572 HIS C . 51522 1 260 . 1 . 1 26 26 HIS CA C 13 57.045 0.010 . 1 . . . . . 572 HIS CA . 51522 1 261 . 1 . 1 26 26 HIS CB C 13 30.623 0.014 . 1 . . . . . 572 HIS CB . 51522 1 262 . 1 . 1 27 27 TRP H H 1 7.721 0.017 . 1 . . . . . 573 TRP H . 51522 1 263 . 1 . 1 27 27 TRP HA H 1 4.445 0.000 . 1 . . . . . 573 TRP HA . 51522 1 264 . 1 . 1 27 27 TRP HB2 H 1 3.206 0.000 . 1 . . . . . 573 TRP HB2 . 51522 1 265 . 1 . 1 27 27 TRP HB3 H 1 3.206 0.000 . 1 . . . . . 573 TRP HB3 . 51522 1 266 . 1 . 1 27 27 TRP HD1 H 1 7.197 0.002 . 1 . . . . . 573 TRP HD1 . 51522 1 267 . 1 . 1 27 27 TRP HE1 H 1 10.104 0.000 . 1 . . . . . 573 TRP HE1 . 51522 1 268 . 1 . 1 27 27 TRP HE3 H 1 7.468 0.000 . 1 . . . . . 573 TRP HE3 . 51522 1 269 . 1 . 1 27 27 TRP HZ2 H 1 7.375 0.000 . 1 . . . . . 573 TRP HZ2 . 51522 1 270 . 1 . 1 27 27 TRP HZ3 H 1 7.111 0.000 . 1 . . . . . 573 TRP HZ3 . 51522 1 271 . 1 . 1 27 27 TRP HH2 H 1 7.169 0.000 . 1 . . . . . 573 TRP HH2 . 51522 1 272 . 1 . 1 27 27 TRP C C 13 176.598 0.000 . 1 . . . . . 573 TRP C . 51522 1 273 . 1 . 1 27 27 TRP CA C 13 57.886 0.051 . 1 . . . . . 573 TRP CA . 51522 1 274 . 1 . 1 27 27 TRP CB C 13 29.055 0.024 . 1 . . . . . 573 TRP CB . 51522 1 275 . 1 . 1 27 27 TRP CD1 C 13 127.214 0.000 . 1 . . . . . 573 TRP CD1 . 51522 1 276 . 1 . 1 27 27 TRP CE3 C 13 120.683 0.000 . 1 . . . . . 573 TRP CE3 . 51522 1 277 . 1 . 1 27 27 TRP CZ2 C 13 114.646 0.000 . 1 . . . . . 573 TRP CZ2 . 51522 1 278 . 1 . 1 27 27 TRP CZ3 C 13 122.100 0.000 . 1 . . . . . 573 TRP CZ3 . 51522 1 279 . 1 . 1 27 27 TRP CH2 C 13 124.691 0.000 . 1 . . . . . 573 TRP CH2 . 51522 1 280 . 1 . 1 27 27 TRP N N 15 120.645 0.022 . 1 . . . . . 573 TRP N . 51522 1 281 . 1 . 1 27 27 TRP NE1 N 15 129.661 0.000 . 1 . . . . . 573 TRP NE1 . 51522 1 282 . 1 . 1 28 28 GLN H H 1 8.003 0.004 . 1 . . . . . 574 GLN H . 51522 1 283 . 1 . 1 28 28 GLN HA H 1 4.018 0.000 . 1 . . . . . 574 GLN HA . 51522 1 284 . 1 . 1 28 28 GLN HB2 H 1 1.777 0.000 . 2 . . . . . 574 GLN HB2 . 51522 1 285 . 1 . 1 28 28 GLN HB3 H 1 1.857 0.000 . 2 . . . . . 574 GLN HB3 . 51522 1 286 . 1 . 1 28 28 GLN HG2 H 1 1.817 0.000 . 2 . . . . . 574 GLN HG2 . 51522 1 287 . 1 . 1 28 28 GLN HG3 H 1 2.010 0.000 . 2 . . . . . 574 GLN HG3 . 51522 1 288 . 1 . 1 28 28 GLN C C 13 175.898 0.000 . 1 . . . . . 574 GLN C . 51522 1 289 . 1 . 1 28 28 GLN CA C 13 56.511 0.048 . 1 . . . . . 574 GLN CA . 51522 1 290 . 1 . 1 28 28 GLN CB C 13 29.321 0.021 . 1 . . . . . 574 GLN CB . 51522 1 291 . 1 . 1 28 28 GLN CG C 13 33.722 0.000 . 1 . . . . . 574 GLN CG . 51522 1 292 . 1 . 1 28 28 GLN N N 15 121.057 0.004 . 1 . . . . . 574 GLN N . 51522 1 293 . 1 . 1 29 29 GLN H H 1 7.999 0.004 . 1 . . . . . 575 GLN H . 51522 1 294 . 1 . 1 29 29 GLN HA H 1 4.106 0.000 . 1 . . . . . 575 GLN HA . 51522 1 295 . 1 . 1 29 29 GLN HB2 H 1 1.898 0.000 . 2 . . . . . 575 GLN HB2 . 51522 1 296 . 1 . 1 29 29 GLN HB3 H 1 1.989 0.000 . 2 . . . . . 575 GLN HB3 . 51522 1 297 . 1 . 1 29 29 GLN HG2 H 1 2.220 0.000 . 1 . . . . . 575 GLN HG2 . 51522 1 298 . 1 . 1 29 29 GLN HG3 H 1 2.220 0.000 . 1 . . . . . 575 GLN HG3 . 51522 1 299 . 1 . 1 29 29 GLN C C 13 175.976 0.000 . 1 . . . . . 575 GLN C . 51522 1 300 . 1 . 1 29 29 GLN CA C 13 56.251 0.000 . 1 . . . . . 575 GLN CA . 51522 1 301 . 1 . 1 29 29 GLN CB C 13 29.309 0.000 . 1 . . . . . 575 GLN CB . 51522 1 302 . 1 . 1 29 29 GLN CG C 13 33.733 0.000 . 1 . . . . . 575 GLN CG . 51522 1 303 . 1 . 1 29 29 GLN N N 15 119.986 0.040 . 1 . . . . . 575 GLN N . 51522 1 304 . 1 . 1 30 30 LEU H H 1 7.970 0.004 . 1 . . . . . 576 LEU H . 51522 1 305 . 1 . 1 30 30 LEU HA H 1 4.222 0.000 . 1 . . . . . 576 LEU HA . 51522 1 306 . 1 . 1 30 30 LEU HB2 H 1 1.489 0.003 . 2 . . . . . 576 LEU HB2 . 51522 1 307 . 1 . 1 30 30 LEU HB3 H 1 1.556 0.001 . 2 . . . . . 576 LEU HB3 . 51522 1 308 . 1 . 1 30 30 LEU HD11 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD11 . 51522 1 309 . 1 . 1 30 30 LEU HD12 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD12 . 51522 1 310 . 1 . 1 30 30 LEU HD13 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD13 . 51522 1 311 . 1 . 1 30 30 LEU HD21 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD21 . 51522 1 312 . 1 . 1 30 30 LEU HD22 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD22 . 51522 1 313 . 1 . 1 30 30 LEU HD23 H 1 0.803 0.000 . 1 . . . . . 576 LEU HD23 . 51522 1 314 . 1 . 1 30 30 LEU C C 13 176.940 0.000 . 1 . . . . . 576 LEU C . 51522 1 315 . 1 . 1 30 30 LEU CA C 13 55.190 0.063 . 1 . . . . . 576 LEU CA . 51522 1 316 . 1 . 1 30 30 LEU CB C 13 42.448 0.058 . 1 . . . . . 576 LEU CB . 51522 1 317 . 1 . 1 30 30 LEU CG C 13 26.881 0.000 . 1 . . . . . 576 LEU CG . 51522 1 318 . 1 . 1 30 30 LEU CD1 C 13 23.355 0.000 . 1 . . . . . 576 LEU CD1 . 51522 1 319 . 1 . 1 30 30 LEU CD2 C 13 25.058 0.000 . 1 . . . . . 576 LEU CD2 . 51522 1 320 . 1 . 1 30 30 LEU N N 15 122.220 0.048 . 1 . . . . . 576 LEU N . 51522 1 321 . 1 . 1 31 31 ALA H H 1 8.073 0.003 . 1 . . . . . 577 ALA H . 51522 1 322 . 1 . 1 31 31 ALA HA H 1 4.215 0.000 . 1 . . . . . 577 ALA HA . 51522 1 323 . 1 . 1 31 31 ALA HB1 H 1 1.284 0.000 . 1 . . . . . 577 ALA HB1 . 51522 1 324 . 1 . 1 31 31 ALA HB2 H 1 1.284 0.000 . 1 . . . . . 577 ALA HB2 . 51522 1 325 . 1 . 1 31 31 ALA HB3 H 1 1.284 0.000 . 1 . . . . . 577 ALA HB3 . 51522 1 326 . 1 . 1 31 31 ALA C C 13 177.243 0.000 . 1 . . . . . 577 ALA C . 51522 1 327 . 1 . 1 31 31 ALA CA C 13 52.357 0.049 . 1 . . . . . 577 ALA CA . 51522 1 328 . 1 . 1 31 31 ALA CB C 13 19.195 0.023 . 1 . . . . . 577 ALA CB . 51522 1 329 . 1 . 1 31 31 ALA N N 15 123.964 0.036 . 1 . . . . . 577 ALA N . 51522 1 330 . 1 . 1 32 32 GLN H H 1 8.149 0.002 . 1 . . . . . 578 GLN H . 51522 1 331 . 1 . 1 32 32 GLN CA C 13 53.597 0.000 . 1 . . . . . 578 GLN CA . 51522 1 332 . 1 . 1 32 32 GLN CB C 13 29.126 0.000 . 1 . . . . . 578 GLN CB . 51522 1 333 . 1 . 1 32 32 GLN N N 15 119.984 0.009 . 1 . . . . . 578 GLN N . 51522 1 334 . 1 . 1 33 33 PRO HA H 1 4.327 0.000 . 1 . . . . . 579 PRO HA . 51522 1 335 . 1 . 1 33 33 PRO HB2 H 1 1.808 0.002 . 2 . . . . . 579 PRO HB2 . 51522 1 336 . 1 . 1 33 33 PRO HB3 H 1 2.198 0.001 . 2 . . . . . 579 PRO HB3 . 51522 1 337 . 1 . 1 33 33 PRO HG2 H 1 1.933 0.000 . 1 . . . . . 579 PRO HG2 . 51522 1 338 . 1 . 1 33 33 PRO HG3 H 1 1.933 0.000 . 1 . . . . . 579 PRO HG3 . 51522 1 339 . 1 . 1 33 33 PRO HD2 H 1 3.623 0.000 . 1 . . . . . 579 PRO HD2 . 51522 1 340 . 1 . 1 33 33 PRO HD3 H 1 3.623 0.000 . 1 . . . . . 579 PRO HD3 . 51522 1 341 . 1 . 1 33 33 PRO C C 13 176.459 0.000 . 1 . . . . . 579 PRO C . 51522 1 342 . 1 . 1 33 33 PRO CA C 13 63.357 0.026 . 1 . . . . . 579 PRO CA . 51522 1 343 . 1 . 1 33 33 PRO CB C 13 32.071 0.055 . 1 . . . . . 579 PRO CB . 51522 1 344 . 1 . 1 33 33 PRO CG C 13 27.266 0.000 . 1 . . . . . 579 PRO CG . 51522 1 345 . 1 . 1 33 33 PRO CD C 13 50.326 0.000 . 1 . . . . . 579 PRO CD . 51522 1 346 . 1 . 1 34 34 ASN H H 1 8.499 0.004 . 1 . . . . . 580 ASN H . 51522 1 347 . 1 . 1 34 34 ASN HA H 1 4.615 0.000 . 1 . . . . . 580 ASN HA . 51522 1 348 . 1 . 1 34 34 ASN HB2 H 1 2.788 0.003 . 2 . . . . . 580 ASN HB2 . 51522 1 349 . 1 . 1 34 34 ASN HB3 H 1 2.707 0.003 . 2 . . . . . 580 ASN HB3 . 51522 1 350 . 1 . 1 34 34 ASN C C 13 175.252 0.000 . 1 . . . . . 580 ASN C . 51522 1 351 . 1 . 1 34 34 ASN CA C 13 53.180 0.006 . 1 . . . . . 580 ASN CA . 51522 1 352 . 1 . 1 34 34 ASN CB C 13 38.629 0.023 . 1 . . . . . 580 ASN CB . 51522 1 353 . 1 . 1 34 34 ASN N N 15 118.164 0.016 . 1 . . . . . 580 ASN N . 51522 1 354 . 1 . 1 35 35 LEU H H 1 8.251 0.002 . 1 . . . . . 581 LEU H . 51522 1 355 . 1 . 1 35 35 LEU HA H 1 4.290 0.000 . 1 . . . . . 581 LEU HA . 51522 1 356 . 1 . 1 35 35 LEU HB2 H 1 1.590 0.001 . 1 . . . . . 581 LEU HB2 . 51522 1 357 . 1 . 1 35 35 LEU HB3 H 1 1.590 0.001 . 1 . . . . . 581 LEU HB3 . 51522 1 358 . 1 . 1 35 35 LEU HD11 H 1 0.806 0.000 . 2 . . . . . 581 LEU HD11 . 51522 1 359 . 1 . 1 35 35 LEU HD12 H 1 0.806 0.000 . 2 . . . . . 581 LEU HD12 . 51522 1 360 . 1 . 1 35 35 LEU HD13 H 1 0.806 0.000 . 2 . . . . . 581 LEU HD13 . 51522 1 361 . 1 . 1 35 35 LEU HD21 H 1 0.859 0.000 . 2 . . . . . 581 LEU HD21 . 51522 1 362 . 1 . 1 35 35 LEU HD22 H 1 0.859 0.000 . 2 . . . . . 581 LEU HD22 . 51522 1 363 . 1 . 1 35 35 LEU HD23 H 1 0.859 0.000 . 2 . . . . . 581 LEU HD23 . 51522 1 364 . 1 . 1 35 35 LEU C C 13 177.804 0.000 . 1 . . . . . 581 LEU C . 51522 1 365 . 1 . 1 35 35 LEU CA C 13 55.472 0.024 . 1 . . . . . 581 LEU CA . 51522 1 366 . 1 . 1 35 35 LEU CB C 13 42.212 0.046 . 1 . . . . . 581 LEU CB . 51522 1 367 . 1 . 1 35 35 LEU CG C 13 26.861 0.000 . 1 . . . . . 581 LEU CG . 51522 1 368 . 1 . 1 35 35 LEU CD1 C 13 23.240 0.000 . 2 . . . . . 581 LEU CD1 . 51522 1 369 . 1 . 1 35 35 LEU CD2 C 13 24.985 0.000 . 2 . . . . . 581 LEU CD2 . 51522 1 370 . 1 . 1 35 35 LEU N N 15 123.028 0.021 . 1 . . . . . 581 LEU N . 51522 1 371 . 1 . 1 36 36 GLY H H 1 8.396 0.003 . 1 . . . . . 582 GLY H . 51522 1 372 . 1 . 1 36 36 GLY HA2 H 1 3.918 0.001 . 1 . . . . . 582 GLY HA2 . 51522 1 373 . 1 . 1 36 36 GLY HA3 H 1 3.919 0.000 . 1 . . . . . 582 GLY HA3 . 51522 1 374 . 1 . 1 36 36 GLY C C 13 174.085 0.000 . 1 . . . . . 582 GLY C . 51522 1 375 . 1 . 1 36 36 GLY CA C 13 45.378 0.016 . 1 . . . . . 582 GLY CA . 51522 1 376 . 1 . 1 36 36 GLY N N 15 109.030 0.008 . 1 . . . . . 582 GLY N . 51522 1 377 . 1 . 1 37 37 THR H H 1 7.934 0.003 . 1 . . . . . 583 THR H . 51522 1 378 . 1 . 1 37 37 THR HA H 1 4.292 0.001 . 1 . . . . . 583 THR HA . 51522 1 379 . 1 . 1 37 37 THR HB H 1 4.124 0.000 . 1 . . . . . 583 THR HB . 51522 1 380 . 1 . 1 37 37 THR HG21 H 1 1.110 0.000 . 1 . . . . . 583 THR HG21 . 51522 1 381 . 1 . 1 37 37 THR HG22 H 1 1.110 0.000 . 1 . . . . . 583 THR HG22 . 51522 1 382 . 1 . 1 37 37 THR HG23 H 1 1.110 0.000 . 1 . . . . . 583 THR HG23 . 51522 1 383 . 1 . 1 37 37 THR C C 13 174.436 0.000 . 1 . . . . . 583 THR C . 51522 1 384 . 1 . 1 37 37 THR CA C 13 61.900 0.041 . 1 . . . . . 583 THR CA . 51522 1 385 . 1 . 1 37 37 THR CB C 13 70.041 0.038 . 1 . . . . . 583 THR CB . 51522 1 386 . 1 . 1 37 37 THR CG2 C 13 21.590 0.000 . 1 . . . . . 583 THR CG2 . 51522 1 387 . 1 . 1 37 37 THR N N 15 114.006 0.043 . 1 . . . . . 583 THR N . 51522 1 388 . 1 . 1 38 38 ILE H H 1 8.171 0.002 . 1 . . . . . 584 ILE H . 51522 1 389 . 1 . 1 38 38 ILE HA H 1 4.090 0.000 . 1 . . . . . 584 ILE HA . 51522 1 390 . 1 . 1 38 38 ILE HB H 1 1.801 0.002 . 1 . . . . . 584 ILE HB . 51522 1 391 . 1 . 1 38 38 ILE HG12 H 1 1.118 0.000 . 2 . . . . . 584 ILE HG12 . 51522 1 392 . 1 . 1 38 38 ILE HG13 H 1 1.415 0.000 . 2 . . . . . 584 ILE HG13 . 51522 1 393 . 1 . 1 38 38 ILE HG21 H 1 0.816 0.000 . 1 . . . . . 584 ILE HG21 . 51522 1 394 . 1 . 1 38 38 ILE HG22 H 1 0.816 0.000 . 1 . . . . . 584 ILE HG22 . 51522 1 395 . 1 . 1 38 38 ILE HG23 H 1 0.816 0.000 . 1 . . . . . 584 ILE HG23 . 51522 1 396 . 1 . 1 38 38 ILE HD11 H 1 0.816 0.000 . 1 . . . . . 584 ILE HD11 . 51522 1 397 . 1 . 1 38 38 ILE HD12 H 1 0.816 0.000 . 1 . . . . . 584 ILE HD12 . 51522 1 398 . 1 . 1 38 38 ILE HD13 H 1 0.816 0.000 . 1 . . . . . 584 ILE HD13 . 51522 1 399 . 1 . 1 38 38 ILE C C 13 175.925 0.000 . 1 . . . . . 584 ILE C . 51522 1 400 . 1 . 1 38 38 ILE CA C 13 61.273 0.054 . 1 . . . . . 584 ILE CA . 51522 1 401 . 1 . 1 38 38 ILE CB C 13 38.573 0.020 . 1 . . . . . 584 ILE CB . 51522 1 402 . 1 . 1 38 38 ILE CG1 C 13 27.195 0.000 . 1 . . . . . 584 ILE CG1 . 51522 1 403 . 1 . 1 38 38 ILE CG2 C 13 17.335 0.000 . 1 . . . . . 584 ILE CG2 . 51522 1 404 . 1 . 1 38 38 ILE CD1 C 13 12.819 0.000 . 1 . . . . . 584 ILE CD1 . 51522 1 405 . 1 . 1 38 38 ILE N N 15 123.459 0.026 . 1 . . . . . 584 ILE N . 51522 1 406 . 1 . 1 39 39 LEU H H 1 8.230 0.002 . 1 . . . . . 585 LEU H . 51522 1 407 . 1 . 1 39 39 LEU HA H 1 4.281 0.000 . 1 . . . . . 585 LEU HA . 51522 1 408 . 1 . 1 39 39 LEU HB2 H 1 1.501 0.000 . 1 . . . . . 585 LEU HB2 . 51522 1 409 . 1 . 1 39 39 LEU HB3 H 1 1.501 0.000 . 1 . . . . . 585 LEU HB3 . 51522 1 410 . 1 . 1 39 39 LEU HD11 H 1 0.774 0.000 . 2 . . . . . 585 LEU HD11 . 51522 1 411 . 1 . 1 39 39 LEU HD12 H 1 0.774 0.000 . 2 . . . . . 585 LEU HD12 . 51522 1 412 . 1 . 1 39 39 LEU HD13 H 1 0.774 0.000 . 2 . . . . . 585 LEU HD13 . 51522 1 413 . 1 . 1 39 39 LEU HD21 H 1 0.833 0.000 . 2 . . . . . 585 LEU HD21 . 51522 1 414 . 1 . 1 39 39 LEU HD22 H 1 0.833 0.000 . 2 . . . . . 585 LEU HD22 . 51522 1 415 . 1 . 1 39 39 LEU HD23 H 1 0.833 0.000 . 2 . . . . . 585 LEU HD23 . 51522 1 416 . 1 . 1 39 39 LEU C C 13 176.437 0.000 . 1 . . . . . 585 LEU C . 51522 1 417 . 1 . 1 39 39 LEU CA C 13 54.843 0.006 . 1 . . . . . 585 LEU CA . 51522 1 418 . 1 . 1 39 39 LEU CB C 13 42.487 0.050 . 1 . . . . . 585 LEU CB . 51522 1 419 . 1 . 1 39 39 LEU CG C 13 26.922 0.000 . 1 . . . . . 585 LEU CG . 51522 1 420 . 1 . 1 39 39 LEU CD1 C 13 23.382 0.000 . 2 . . . . . 585 LEU CD1 . 51522 1 421 . 1 . 1 39 39 LEU CD2 C 13 24.871 0.000 . 2 . . . . . 585 LEU CD2 . 51522 1 422 . 1 . 1 39 39 LEU N N 15 126.035 0.014 . 1 . . . . . 585 LEU N . 51522 1 423 . 1 . 1 40 40 ASP H H 1 8.147 0.003 . 1 . . . . . 586 ASP H . 51522 1 424 . 1 . 1 40 40 ASP CA C 13 52.094 0.000 . 1 . . . . . 586 ASP CA . 51522 1 425 . 1 . 1 40 40 ASP CB C 13 41.152 0.000 . 1 . . . . . 586 ASP CB . 51522 1 426 . 1 . 1 40 40 ASP N N 15 122.560 0.009 . 1 . . . . . 586 ASP N . 51522 1 427 . 1 . 1 41 41 PRO HA H 1 4.366 0.000 . 1 . . . . . 587 PRO HA . 51522 1 428 . 1 . 1 41 41 PRO HB2 H 1 1.880 0.000 . 2 . . . . . 587 PRO HB2 . 51522 1 429 . 1 . 1 41 41 PRO HB3 H 1 2.148 0.000 . 2 . . . . . 587 PRO HB3 . 51522 1 430 . 1 . 1 41 41 PRO HD2 H 1 3.713 0.000 . 1 . . . . . 587 PRO HD2 . 51522 1 431 . 1 . 1 41 41 PRO HD3 H 1 3.713 0.000 . 1 . . . . . 587 PRO HD3 . 51522 1 432 . 1 . 1 41 41 PRO C C 13 176.806 0.000 . 1 . . . . . 587 PRO C . 51522 1 433 . 1 . 1 41 41 PRO CA C 13 63.123 0.034 . 1 . . . . . 587 PRO CA . 51522 1 434 . 1 . 1 41 41 PRO CB C 13 32.103 0.001 . 1 . . . . . 587 PRO CB . 51522 1 435 . 1 . 1 41 41 PRO CG C 13 27.214 0.000 . 1 . . . . . 587 PRO CG . 51522 1 436 . 1 . 1 41 41 PRO CD C 13 50.450 0.000 . 1 . . . . . 587 PRO CD . 51522 1 437 . 1 . 1 42 42 ARG H H 1 8.310 0.003 . 1 . . . . . 588 ARG H . 51522 1 438 . 1 . 1 42 42 ARG CA C 13 54.198 0.000 . 1 . . . . . 588 ARG CA . 51522 1 439 . 1 . 1 42 42 ARG CB C 13 30.109 0.000 . 1 . . . . . 588 ARG CB . 51522 1 440 . 1 . 1 42 42 ARG N N 15 122.222 0.016 . 1 . . . . . 588 ARG N . 51522 1 441 . 1 . 1 43 43 PRO HA H 1 4.347 0.002 . 1 . . . . . 589 PRO HA . 51522 1 442 . 1 . 1 43 43 PRO HB2 H 1 1.863 0.000 . 2 . . . . . 589 PRO HB2 . 51522 1 443 . 1 . 1 43 43 PRO HB3 H 1 2.219 0.000 . 2 . . . . . 589 PRO HB3 . 51522 1 444 . 1 . 1 43 43 PRO HG2 H 1 1.959 0.000 . 1 . . . . . 589 PRO HG2 . 51522 1 445 . 1 . 1 43 43 PRO HG3 H 1 1.959 0.000 . 1 . . . . . 589 PRO HG3 . 51522 1 446 . 1 . 1 43 43 PRO HD2 H 1 3.552 0.000 . 2 . . . . . 589 PRO HD2 . 51522 1 447 . 1 . 1 43 43 PRO HD3 H 1 3.703 0.000 . 2 . . . . . 589 PRO HD3 . 51522 1 448 . 1 . 1 43 43 PRO C C 13 177.552 0.000 . 1 . . . . . 589 PRO C . 51522 1 449 . 1 . 1 43 43 PRO CA C 13 63.424 0.024 . 1 . . . . . 589 PRO CA . 51522 1 450 . 1 . 1 43 43 PRO CB C 13 32.013 0.035 . 1 . . . . . 589 PRO CB . 51522 1 451 . 1 . 1 43 43 PRO CG C 13 27.373 0.000 . 1 . . . . . 589 PRO CG . 51522 1 452 . 1 . 1 43 43 PRO CD C 13 50.341 0.000 . 1 . . . . . 589 PRO CD . 51522 1 453 . 1 . 1 44 44 GLY H H 1 8.455 0.003 . 1 . . . . . 590 GLY H . 51522 1 454 . 1 . 1 44 44 GLY HA2 H 1 3.859 0.000 . 1 . . . . . 590 GLY HA2 . 51522 1 455 . 1 . 1 44 44 GLY HA3 H 1 3.859 0.000 . 1 . . . . . 590 GLY HA3 . 51522 1 456 . 1 . 1 44 44 GLY C C 13 173.900 0.000 . 1 . . . . . 590 GLY C . 51522 1 457 . 1 . 1 44 44 GLY CA C 13 45.280 0.005 . 1 . . . . . 590 GLY CA . 51522 1 458 . 1 . 1 44 44 GLY N N 15 109.294 0.023 . 1 . . . . . 590 GLY N . 51522 1 459 . 1 . 1 45 45 VAL H H 1 7.834 0.002 . 1 . . . . . 591 VAL H . 51522 1 460 . 1 . 1 45 45 VAL HA H 1 4.046 0.000 . 1 . . . . . 591 VAL HA . 51522 1 461 . 1 . 1 45 45 VAL HB H 1 1.981 0.001 . 1 . . . . . 591 VAL HB . 51522 1 462 . 1 . 1 45 45 VAL HG11 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG11 . 51522 1 463 . 1 . 1 45 45 VAL HG12 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG12 . 51522 1 464 . 1 . 1 45 45 VAL HG13 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG13 . 51522 1 465 . 1 . 1 45 45 VAL HG21 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG21 . 51522 1 466 . 1 . 1 45 45 VAL HG22 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG22 . 51522 1 467 . 1 . 1 45 45 VAL HG23 H 1 0.830 0.000 . 1 . . . . . 591 VAL HG23 . 51522 1 468 . 1 . 1 45 45 VAL C C 13 176.073 0.000 . 1 . . . . . 591 VAL C . 51522 1 469 . 1 . 1 45 45 VAL CA C 13 62.408 0.014 . 1 . . . . . 591 VAL CA . 51522 1 470 . 1 . 1 45 45 VAL CB C 13 32.816 0.019 . 1 . . . . . 591 VAL CB . 51522 1 471 . 1 . 1 45 45 VAL CG1 C 13 20.916 0.000 . 1 . . . . . 591 VAL CG1 . 51522 1 472 . 1 . 1 45 45 VAL CG2 C 13 20.916 0.000 . 1 . . . . . 591 VAL CG2 . 51522 1 473 . 1 . 1 45 45 VAL N N 15 119.665 0.010 . 1 . . . . . 591 VAL N . 51522 1 474 . 1 . 1 46 46 ILE H H 1 8.310 0.002 . 1 . . . . . 592 ILE H . 51522 1 475 . 1 . 1 46 46 ILE HA H 1 4.185 0.000 . 1 . . . . . 592 ILE HA . 51522 1 476 . 1 . 1 46 46 ILE HB H 1 1.802 0.000 . 1 . . . . . 592 ILE HB . 51522 1 477 . 1 . 1 46 46 ILE HG12 H 1 1.124 0.000 . 2 . . . . . 592 ILE HG12 . 51522 1 478 . 1 . 1 46 46 ILE HG13 H 1 1.417 0.000 . 2 . . . . . 592 ILE HG13 . 51522 1 479 . 1 . 1 46 46 ILE HG21 H 1 0.812 0.000 . 1 . . . . . 592 ILE HG21 . 51522 1 480 . 1 . 1 46 46 ILE HG22 H 1 0.812 0.000 . 1 . . . . . 592 ILE HG22 . 51522 1 481 . 1 . 1 46 46 ILE HG23 H 1 0.812 0.000 . 1 . . . . . 592 ILE HG23 . 51522 1 482 . 1 . 1 46 46 ILE HD11 H 1 0.812 0.000 . 1 . . . . . 592 ILE HD11 . 51522 1 483 . 1 . 1 46 46 ILE HD12 H 1 0.812 0.000 . 1 . . . . . 592 ILE HD12 . 51522 1 484 . 1 . 1 46 46 ILE HD13 H 1 0.812 0.000 . 1 . . . . . 592 ILE HD13 . 51522 1 485 . 1 . 1 46 46 ILE C C 13 176.321 0.000 . 1 . . . . . 592 ILE C . 51522 1 486 . 1 . 1 46 46 ILE CA C 13 60.923 0.005 . 1 . . . . . 592 ILE CA . 51522 1 487 . 1 . 1 46 46 ILE CB C 13 38.507 0.012 . 1 . . . . . 592 ILE CB . 51522 1 488 . 1 . 1 46 46 ILE CG1 C 13 27.229 0.000 . 1 . . . . . 592 ILE CG1 . 51522 1 489 . 1 . 1 46 46 ILE CG2 C 13 17.339 0.000 . 1 . . . . . 592 ILE CG2 . 51522 1 490 . 1 . 1 46 46 ILE CD1 C 13 12.638 0.000 . 1 . . . . . 592 ILE CD1 . 51522 1 491 . 1 . 1 46 46 ILE N N 15 125.272 0.008 . 1 . . . . . 592 ILE N . 51522 1 492 . 1 . 1 47 47 THR H H 1 8.229 0.002 . 1 . . . . . 593 THR H . 51522 1 493 . 1 . 1 47 47 THR HA H 1 4.283 0.000 . 1 . . . . . 593 THR HA . 51522 1 494 . 1 . 1 47 47 THR HB H 1 4.102 0.001 . 1 . . . . . 593 THR HB . 51522 1 495 . 1 . 1 47 47 THR HG21 H 1 1.114 0.000 . 1 . . . . . 593 THR HG21 . 51522 1 496 . 1 . 1 47 47 THR HG22 H 1 1.114 0.000 . 1 . . . . . 593 THR HG22 . 51522 1 497 . 1 . 1 47 47 THR HG23 H 1 1.114 0.000 . 1 . . . . . 593 THR HG23 . 51522 1 498 . 1 . 1 47 47 THR C C 13 174.223 0.000 . 1 . . . . . 593 THR C . 51522 1 499 . 1 . 1 47 47 THR CA C 13 61.640 0.043 . 1 . . . . . 593 THR CA . 51522 1 500 . 1 . 1 47 47 THR CB C 13 69.794 0.041 . 1 . . . . . 593 THR CB . 51522 1 501 . 1 . 1 47 47 THR CG2 C 13 21.699 0.000 . 1 . . . . . 593 THR CG2 . 51522 1 502 . 1 . 1 47 47 THR N N 15 119.405 0.012 . 1 . . . . . 593 THR N . 51522 1 503 . 1 . 1 48 48 LYS H H 1 8.318 0.003 . 1 . . . . . 594 LYS H . 51522 1 504 . 1 . 1 48 48 LYS HB2 H 1 1.710 0.000 . 1 . . . . . 594 LYS HB2 . 51522 1 505 . 1 . 1 48 48 LYS HB3 H 1 1.710 0.000 . 1 . . . . . 594 LYS HB3 . 51522 1 506 . 1 . 1 48 48 LYS HG2 H 1 1.345 0.000 . 1 . . . . . 594 LYS HG2 . 51522 1 507 . 1 . 1 48 48 LYS HG3 H 1 1.345 0.000 . 1 . . . . . 594 LYS HG3 . 51522 1 508 . 1 . 1 48 48 LYS HD2 H 1 1.602 0.000 . 1 . . . . . 594 LYS HD2 . 51522 1 509 . 1 . 1 48 48 LYS HD3 H 1 1.602 0.000 . 1 . . . . . 594 LYS HD3 . 51522 1 510 . 1 . 1 48 48 LYS HE2 H 1 2.903 0.000 . 1 . . . . . 594 LYS HE2 . 51522 1 511 . 1 . 1 48 48 LYS HE3 H 1 2.903 0.000 . 1 . . . . . 594 LYS HE3 . 51522 1 512 . 1 . 1 48 48 LYS C C 13 176.630 0.000 . 1 . . . . . 594 LYS C . 51522 1 513 . 1 . 1 48 48 LYS CA C 13 56.560 0.030 . 1 . . . . . 594 LYS CA . 51522 1 514 . 1 . 1 48 48 LYS CB C 13 33.068 0.037 . 1 . . . . . 594 LYS CB . 51522 1 515 . 1 . 1 48 48 LYS N N 15 124.076 0.016 . 1 . . . . . 594 LYS N . 51522 1 516 . 1 . 1 49 49 GLY H H 1 8.363 0.001 . 1 . . . . . 595 GLY H . 51522 1 517 . 1 . 1 49 49 GLY HA2 H 1 3.824 0.000 . 1 . . . . . 595 GLY HA2 . 51522 1 518 . 1 . 1 49 49 GLY HA3 H 1 3.824 0.000 . 1 . . . . . 595 GLY HA3 . 51522 1 519 . 1 . 1 49 49 GLY C C 13 173.549 0.000 . 1 . . . . . 595 GLY C . 51522 1 520 . 1 . 1 49 49 GLY CA C 13 45.111 0.025 . 1 . . . . . 595 GLY CA . 51522 1 521 . 1 . 1 49 49 GLY N N 15 110.042 0.010 . 1 . . . . . 595 GLY N . 51522 1 522 . 1 . 1 50 50 PHE H H 1 8.087 0.001 . 1 . . . . . 596 PHE H . 51522 1 523 . 1 . 1 50 50 PHE HA H 1 4.628 0.000 . 1 . . . . . 596 PHE HA . 51522 1 524 . 1 . 1 50 50 PHE HB2 H 1 2.966 0.003 . 2 . . . . . 596 PHE HB2 . 51522 1 525 . 1 . 1 50 50 PHE HB3 H 1 3.068 0.004 . 2 . . . . . 596 PHE HB3 . 51522 1 526 . 1 . 1 50 50 PHE C C 13 175.701 0.000 . 1 . . . . . 596 PHE C . 51522 1 527 . 1 . 1 50 50 PHE CA C 13 57.703 0.006 . 1 . . . . . 596 PHE CA . 51522 1 528 . 1 . 1 50 50 PHE CB C 13 39.867 0.022 . 1 . . . . . 596 PHE CB . 51522 1 529 . 1 . 1 50 50 PHE N N 15 119.913 0.008 . 1 . . . . . 596 PHE N . 51522 1 530 . 1 . 1 51 51 THR H H 1 8.118 0.001 . 1 . . . . . 597 THR H . 51522 1 531 . 1 . 1 51 51 THR HA H 1 4.228 0.002 . 1 . . . . . 597 THR HA . 51522 1 532 . 1 . 1 51 51 THR HB H 1 4.040 0.000 . 1 . . . . . 597 THR HB . 51522 1 533 . 1 . 1 51 51 THR HG21 H 1 1.088 0.000 . 1 . . . . . 597 THR HG21 . 51522 1 534 . 1 . 1 51 51 THR HG22 H 1 1.088 0.000 . 1 . . . . . 597 THR HG22 . 51522 1 535 . 1 . 1 51 51 THR HG23 H 1 1.088 0.000 . 1 . . . . . 597 THR HG23 . 51522 1 536 . 1 . 1 51 51 THR C C 13 173.572 0.000 . 1 . . . . . 597 THR C . 51522 1 537 . 1 . 1 51 51 THR CA C 13 61.796 0.016 . 1 . . . . . 597 THR CA . 51522 1 538 . 1 . 1 51 51 THR CB C 13 69.931 0.034 . 1 . . . . . 597 THR CB . 51522 1 539 . 1 . 1 51 51 THR CG2 C 13 21.530 0.000 . 1 . . . . . 597 THR CG2 . 51522 1 540 . 1 . 1 51 51 THR N N 15 116.639 0.009 . 1 . . . . . 597 THR N . 51522 1 541 . 1 . 1 52 52 GLN H H 1 8.315 0.002 . 1 . . . . . 598 GLN H . 51522 1 542 . 1 . 1 52 52 GLN HA H 1 4.282 0.000 . 1 . . . . . 598 GLN HA . 51522 1 543 . 1 . 1 52 52 GLN HB2 H 1 1.897 0.000 . 2 . . . . . 598 GLN HB2 . 51522 1 544 . 1 . 1 52 52 GLN HB3 H 1 2.023 0.000 . 2 . . . . . 598 GLN HB3 . 51522 1 545 . 1 . 1 52 52 GLN HG2 H 1 2.260 0.000 . 1 . . . . . 598 GLN HG2 . 51522 1 546 . 1 . 1 52 52 GLN HG3 H 1 2.260 0.000 . 1 . . . . . 598 GLN HG3 . 51522 1 547 . 1 . 1 52 52 GLN C C 13 175.294 0.000 . 1 . . . . . 598 GLN C . 51522 1 548 . 1 . 1 52 52 GLN CA C 13 55.576 0.007 . 1 . . . . . 598 GLN CA . 51522 1 549 . 1 . 1 52 52 GLN CB C 13 29.779 0.013 . 1 . . . . . 598 GLN CB . 51522 1 550 . 1 . 1 52 52 GLN CG C 13 33.764 0.000 . 1 . . . . . 598 GLN CG . 51522 1 551 . 1 . 1 52 52 GLN N N 15 123.091 0.003 . 1 . . . . . 598 GLN N . 51522 1 552 . 1 . 1 53 53 LEU H H 1 8.481 0.003 . 1 . . . . . 599 LEU H . 51522 1 553 . 1 . 1 53 53 LEU CA C 13 53.000 0.000 . 1 . . . . . 599 LEU CA . 51522 1 554 . 1 . 1 53 53 LEU CB C 13 41.521 0.000 . 1 . . . . . 599 LEU CB . 51522 1 555 . 1 . 1 53 53 LEU N N 15 125.874 0.029 . 1 . . . . . 599 LEU N . 51522 1 556 . 1 . 1 54 54 PRO HA H 1 4.317 0.000 . 1 . . . . . 600 PRO HA . 51522 1 557 . 1 . 1 54 54 PRO HB2 H 1 1.880 0.000 . 2 . . . . . 600 PRO HB2 . 51522 1 558 . 1 . 1 54 54 PRO HB3 H 1 2.233 0.001 . 2 . . . . . 600 PRO HB3 . 51522 1 559 . 1 . 1 54 54 PRO HG2 H 1 1.986 0.000 . 1 . . . . . 600 PRO HG2 . 51522 1 560 . 1 . 1 54 54 PRO HG3 H 1 1.986 0.000 . 1 . . . . . 600 PRO HG3 . 51522 1 561 . 1 . 1 54 54 PRO HD2 H 1 3.568 0.000 . 2 . . . . . 600 PRO HD2 . 51522 1 562 . 1 . 1 54 54 PRO HD3 H 1 3.750 0.000 . 2 . . . . . 600 PRO HD3 . 51522 1 563 . 1 . 1 54 54 PRO C C 13 177.641 0.000 . 1 . . . . . 600 PRO C . 51522 1 564 . 1 . 1 54 54 PRO CA C 13 63.555 0.020 . 1 . . . . . 600 PRO CA . 51522 1 565 . 1 . 1 54 54 PRO CB C 13 31.960 0.056 . 1 . . . . . 600 PRO CB . 51522 1 566 . 1 . 1 54 54 PRO CG C 13 27.426 0.000 . 1 . . . . . 600 PRO CG . 51522 1 567 . 1 . 1 54 54 PRO CD C 13 50.382 0.000 . 1 . . . . . 600 PRO CD . 51522 1 568 . 1 . 1 55 55 GLY H H 1 8.428 0.003 . 1 . . . . . 601 GLY H . 51522 1 569 . 1 . 1 55 55 GLY HA2 H 1 3.875 0.000 . 1 . . . . . 601 GLY HA2 . 51522 1 570 . 1 . 1 55 55 GLY HA3 H 1 3.875 0.000 . 1 . . . . . 601 GLY HA3 . 51522 1 571 . 1 . 1 55 55 GLY C C 13 174.032 0.000 . 1 . . . . . 601 GLY C . 51522 1 572 . 1 . 1 55 55 GLY CA C 13 45.442 0.015 . 1 . . . . . 601 GLY CA . 51522 1 573 . 1 . 1 55 55 GLY N N 15 108.992 0.005 . 1 . . . . . 601 GLY N . 51522 1 574 . 1 . 1 56 56 ASP H H 1 8.062 0.001 . 1 . . . . . 602 ASP H . 51522 1 575 . 1 . 1 56 56 ASP HA H 1 4.542 0.000 . 1 . . . . . 602 ASP HA . 51522 1 576 . 1 . 1 56 56 ASP HB2 H 1 2.640 0.000 . 1 . . . . . 602 ASP HB2 . 51522 1 577 . 1 . 1 56 56 ASP HB3 H 1 2.640 0.000 . 1 . . . . . 602 ASP HB3 . 51522 1 578 . 1 . 1 56 56 ASP C C 13 176.064 0.000 . 1 . . . . . 602 ASP C . 51522 1 579 . 1 . 1 56 56 ASP CA C 13 54.328 0.013 . 1 . . . . . 602 ASP CA . 51522 1 580 . 1 . 1 56 56 ASP CB C 13 41.303 0.017 . 1 . . . . . 602 ASP CB . 51522 1 581 . 1 . 1 56 56 ASP N N 15 120.041 0.009 . 1 . . . . . 602 ASP N . 51522 1 582 . 1 . 1 57 57 ALA H H 1 8.056 0.005 . 1 . . . . . 603 ALA H . 51522 1 583 . 1 . 1 57 57 ALA HA H 1 4.180 0.000 . 1 . . . . . 603 ALA HA . 51522 1 584 . 1 . 1 57 57 ALA HB1 H 1 1.269 0.000 . 1 . . . . . 603 ALA HB1 . 51522 1 585 . 1 . 1 57 57 ALA HB2 H 1 1.269 0.000 . 1 . . . . . 603 ALA HB2 . 51522 1 586 . 1 . 1 57 57 ALA HB3 H 1 1.269 0.000 . 1 . . . . . 603 ALA HB3 . 51522 1 587 . 1 . 1 57 57 ALA C C 13 177.306 0.000 . 1 . . . . . 603 ALA C . 51522 1 588 . 1 . 1 57 57 ALA CA C 13 52.664 0.009 . 1 . . . . . 603 ALA CA . 51522 1 589 . 1 . 1 57 57 ALA CB C 13 19.299 0.039 . 1 . . . . . 603 ALA CB . 51522 1 590 . 1 . 1 57 57 ALA N N 15 123.659 0.003 . 1 . . . . . 603 ALA N . 51522 1 591 . 1 . 1 58 58 ILE H H 1 7.902 0.001 . 1 . . . . . 604 ILE H . 51522 1 592 . 1 . 1 58 58 ILE HA H 1 4.008 0.000 . 1 . . . . . 604 ILE HA . 51522 1 593 . 1 . 1 58 58 ILE HB H 1 1.673 0.000 . 1 . . . . . 604 ILE HB . 51522 1 594 . 1 . 1 58 58 ILE HG12 H 1 1.017 0.000 . 2 . . . . . 604 ILE HG12 . 51522 1 595 . 1 . 1 58 58 ILE HG13 H 1 1.235 0.000 . 2 . . . . . 604 ILE HG13 . 51522 1 596 . 1 . 1 58 58 ILE HG21 H 1 0.739 0.000 . 1 . . . . . 604 ILE HG21 . 51522 1 597 . 1 . 1 58 58 ILE HG22 H 1 0.739 0.000 . 1 . . . . . 604 ILE HG22 . 51522 1 598 . 1 . 1 58 58 ILE HG23 H 1 0.739 0.000 . 1 . . . . . 604 ILE HG23 . 51522 1 599 . 1 . 1 58 58 ILE HD11 H 1 0.643 0.000 . 1 . . . . . 604 ILE HD11 . 51522 1 600 . 1 . 1 58 58 ILE HD12 H 1 0.643 0.000 . 1 . . . . . 604 ILE HD12 . 51522 1 601 . 1 . 1 58 58 ILE HD13 H 1 0.643 0.000 . 1 . . . . . 604 ILE HD13 . 51522 1 602 . 1 . 1 58 58 ILE C C 13 175.659 0.000 . 1 . . . . . 604 ILE C . 51522 1 603 . 1 . 1 58 58 ILE CA C 13 61.059 0.018 . 1 . . . . . 604 ILE CA . 51522 1 604 . 1 . 1 58 58 ILE CB C 13 38.690 0.039 . 1 . . . . . 604 ILE CB . 51522 1 605 . 1 . 1 58 58 ILE CG1 C 13 27.112 0.000 . 1 . . . . . 604 ILE CG1 . 51522 1 606 . 1 . 1 58 58 ILE CG2 C 13 17.179 0.000 . 1 . . . . . 604 ILE CG2 . 51522 1 607 . 1 . 1 58 58 ILE CD1 C 13 12.868 0.000 . 1 . . . . . 604 ILE CD1 . 51522 1 608 . 1 . 1 58 58 ILE N N 15 118.861 0.005 . 1 . . . . . 604 ILE N . 51522 1 609 . 1 . 1 59 59 TYR H H 1 8.084 0.002 . 1 . . . . . 605 TYR H . 51522 1 610 . 1 . 1 59 59 TYR HA H 1 4.517 0.000 . 1 . . . . . 605 TYR HA . 51522 1 611 . 1 . 1 59 59 TYR HB2 H 1 2.800 0.000 . 2 . . . . . 605 TYR HB2 . 51522 1 612 . 1 . 1 59 59 TYR HB3 H 1 2.913 0.000 . 2 . . . . . 605 TYR HB3 . 51522 1 613 . 1 . 1 59 59 TYR HD1 H 1 7.046 0.000 . 1 . . . . . 605 TYR HD1 . 51522 1 614 . 1 . 1 59 59 TYR HD2 H 1 7.046 0.000 . 1 . . . . . 605 TYR HD2 . 51522 1 615 . 1 . 1 59 59 TYR HE1 H 1 6.763 0.000 . 1 . . . . . 605 TYR HE1 . 51522 1 616 . 1 . 1 59 59 TYR HE2 H 1 6.763 0.000 . 1 . . . . . 605 TYR HE2 . 51522 1 617 . 1 . 1 59 59 TYR C C 13 175.030 0.000 . 1 . . . . . 605 TYR C . 51522 1 618 . 1 . 1 59 59 TYR CA C 13 57.503 0.007 . 1 . . . . . 605 TYR CA . 51522 1 619 . 1 . 1 59 59 TYR CB C 13 39.094 0.045 . 1 . . . . . 605 TYR CB . 51522 1 620 . 1 . 1 59 59 TYR CD1 C 13 133.045 0.000 . 1 . . . . . 605 TYR CD1 . 51522 1 621 . 1 . 1 59 59 TYR CD2 C 13 133.045 0.000 . 1 . . . . . 605 TYR CD2 . 51522 1 622 . 1 . 1 59 59 TYR CE1 C 13 118.100 0.000 . 1 . . . . . 605 TYR CE1 . 51522 1 623 . 1 . 1 59 59 TYR CE2 C 13 118.100 0.000 . 1 . . . . . 605 TYR CE2 . 51522 1 624 . 1 . 1 59 59 TYR N N 15 123.690 0.006 . 1 . . . . . 605 TYR N . 51522 1 625 . 1 . 1 60 60 HIS H H 1 8.219 0.007 . 1 . . . . . 606 HIS H . 51522 1 626 . 1 . 1 60 60 HIS HA H 1 4.583 0.000 . 1 . . . . . 606 HIS HA . 51522 1 627 . 1 . 1 60 60 HIS HB2 H 1 2.959 0.003 . 2 . . . . . 606 HIS HB2 . 51522 1 628 . 1 . 1 60 60 HIS HB3 H 1 3.063 0.002 . 2 . . . . . 606 HIS HB3 . 51522 1 629 . 1 . 1 60 60 HIS C C 13 174.173 0.000 . 1 . . . . . 606 HIS C . 51522 1 630 . 1 . 1 60 60 HIS CA C 13 55.599 0.019 . 1 . . . . . 606 HIS CA . 51522 1 631 . 1 . 1 60 60 HIS CB C 13 30.645 0.042 . 1 . . . . . 606 HIS CB . 51522 1 632 . 1 . 1 60 60 HIS N N 15 121.856 0.032 . 1 . . . . . 606 HIS N . 51522 1 633 . 1 . 1 61 61 ILE H H 1 8.124 0.017 . 1 . . . . . 607 ILE H . 51522 1 634 . 1 . 1 61 61 ILE HA H 1 4.056 0.000 . 1 . . . . . 607 ILE HA . 51522 1 635 . 1 . 1 61 61 ILE HB H 1 1.746 0.000 . 1 . . . . . 607 ILE HB . 51522 1 636 . 1 . 1 61 61 ILE HG12 H 1 1.082 0.000 . 2 . . . . . 607 ILE HG12 . 51522 1 637 . 1 . 1 61 61 ILE HG13 H 1 1.393 0.000 . 2 . . . . . 607 ILE HG13 . 51522 1 638 . 1 . 1 61 61 ILE HG21 H 1 0.823 0.000 . 1 . . . . . 607 ILE HG21 . 51522 1 639 . 1 . 1 61 61 ILE HG22 H 1 0.823 0.000 . 1 . . . . . 607 ILE HG22 . 51522 1 640 . 1 . 1 61 61 ILE HG23 H 1 0.823 0.000 . 1 . . . . . 607 ILE HG23 . 51522 1 641 . 1 . 1 61 61 ILE HD11 H 1 0.823 0.000 . 1 . . . . . 607 ILE HD11 . 51522 1 642 . 1 . 1 61 61 ILE HD12 H 1 0.823 0.000 . 1 . . . . . 607 ILE HD12 . 51522 1 643 . 1 . 1 61 61 ILE HD13 H 1 0.823 0.000 . 1 . . . . . 607 ILE HD13 . 51522 1 644 . 1 . 1 61 61 ILE C C 13 175.949 0.000 . 1 . . . . . 607 ILE C . 51522 1 645 . 1 . 1 61 61 ILE CA C 13 61.289 0.031 . 1 . . . . . 607 ILE CA . 51522 1 646 . 1 . 1 61 61 ILE CB C 13 38.812 0.010 . 1 . . . . . 607 ILE CB . 51522 1 647 . 1 . 1 61 61 ILE CG1 C 13 27.346 0.000 . 1 . . . . . 607 ILE CG1 . 51522 1 648 . 1 . 1 61 61 ILE CG2 C 13 17.323 0.000 . 1 . . . . . 607 ILE CG2 . 51522 1 649 . 1 . 1 61 61 ILE CD1 C 13 13.062 0.000 . 1 . . . . . 607 ILE CD1 . 51522 1 650 . 1 . 1 61 61 ILE N N 15 123.395 0.058 . 1 . . . . . 607 ILE N . 51522 1 651 . 1 . 1 62 62 SER H H 1 8.350 0.005 . 1 . . . . . 608 SER H . 51522 1 652 . 1 . 1 62 62 SER HA H 1 4.388 0.000 . 1 . . . . . 608 SER HA . 51522 1 653 . 1 . 1 62 62 SER HB2 H 1 3.795 0.000 . 1 . . . . . 608 SER HB2 . 51522 1 654 . 1 . 1 62 62 SER HB3 H 1 3.795 0.000 . 1 . . . . . 608 SER HB3 . 51522 1 655 . 1 . 1 62 62 SER C C 13 174.117 0.000 . 1 . . . . . 608 SER C . 51522 1 656 . 1 . 1 62 62 SER CA C 13 58.278 0.009 . 1 . . . . . 608 SER CA . 51522 1 657 . 1 . 1 62 62 SER CB C 13 63.978 0.020 . 1 . . . . . 608 SER CB . 51522 1 658 . 1 . 1 62 62 SER N N 15 119.668 0.019 . 1 . . . . . 608 SER N . 51522 1 659 . 1 . 1 63 63 ASP H H 1 8.354 0.001 . 1 . . . . . 609 ASP H . 51522 1 660 . 1 . 1 63 63 ASP HA H 1 4.549 0.002 . 1 . . . . . 609 ASP HA . 51522 1 661 . 1 . 1 63 63 ASP HB2 H 1 2.581 0.004 . 2 . . . . . 609 ASP HB2 . 51522 1 662 . 1 . 1 63 63 ASP HB3 H 1 2.657 0.006 . 2 . . . . . 609 ASP HB3 . 51522 1 663 . 1 . 1 63 63 ASP C C 13 175.960 0.000 . 1 . . . . . 609 ASP C . 51522 1 664 . 1 . 1 63 63 ASP CA C 13 54.505 0.051 . 1 . . . . . 609 ASP CA . 51522 1 665 . 1 . 1 63 63 ASP CB C 13 41.059 0.014 . 1 . . . . . 609 ASP CB . 51522 1 666 . 1 . 1 63 63 ASP N N 15 122.629 0.009 . 1 . . . . . 609 ASP N . 51522 1 667 . 1 . 1 64 64 LEU H H 1 8.078 0.002 . 1 . . . . . 610 LEU H . 51522 1 668 . 1 . 1 64 64 LEU HB2 H 1 1.544 0.000 . 1 . . . . . 610 LEU HB2 . 51522 1 669 . 1 . 1 64 64 LEU HB3 H 1 1.544 0.000 . 1 . . . . . 610 LEU HB3 . 51522 1 670 . 1 . 1 64 64 LEU HD11 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD11 . 51522 1 671 . 1 . 1 64 64 LEU HD12 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD12 . 51522 1 672 . 1 . 1 64 64 LEU HD13 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD13 . 51522 1 673 . 1 . 1 64 64 LEU HD21 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD21 . 51522 1 674 . 1 . 1 64 64 LEU HD22 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD22 . 51522 1 675 . 1 . 1 64 64 LEU HD23 H 1 0.833 0.000 . 1 . . . . . 610 LEU HD23 . 51522 1 676 . 1 . 1 64 64 LEU C C 13 177.318 0.000 . 1 . . . . . 610 LEU C . 51522 1 677 . 1 . 1 64 64 LEU CA C 13 55.096 0.062 . 1 . . . . . 610 LEU CA . 51522 1 678 . 1 . 1 64 64 LEU CB C 13 42.510 0.016 . 1 . . . . . 610 LEU CB . 51522 1 679 . 1 . 1 64 64 LEU CG C 13 29.987 0.000 . 1 . . . . . 610 LEU CG . 51522 1 680 . 1 . 1 64 64 LEU CD1 C 13 23.496 0.000 . 1 . . . . . 610 LEU CD1 . 51522 1 681 . 1 . 1 64 64 LEU CD2 C 13 23.496 0.000 . 1 . . . . . 610 LEU CD2 . 51522 1 682 . 1 . 1 64 64 LEU N N 15 121.593 0.020 . 1 . . . . . 610 LEU N . 51522 1 683 . 1 . 1 65 65 GLU H H 1 8.351 0.003 . 1 . . . . . 611 GLU H . 51522 1 684 . 1 . 1 65 65 GLU HA H 1 4.290 0.000 . 1 . . . . . 611 GLU HA . 51522 1 685 . 1 . 1 65 65 GLU HB2 H 1 1.870 0.000 . 2 . . . . . 611 GLU HB2 . 51522 1 686 . 1 . 1 65 65 GLU HB3 H 1 2.001 0.000 . 2 . . . . . 611 GLU HB3 . 51522 1 687 . 1 . 1 65 65 GLU HG2 H 1 2.206 0.000 . 1 . . . . . 611 GLU HG2 . 51522 1 688 . 1 . 1 65 65 GLU HG3 H 1 2.206 0.000 . 1 . . . . . 611 GLU HG3 . 51522 1 689 . 1 . 1 65 65 GLU C C 13 176.420 0.000 . 1 . . . . . 611 GLU C . 51522 1 690 . 1 . 1 65 65 GLU CA C 13 56.462 0.035 . 1 . . . . . 611 GLU CA . 51522 1 691 . 1 . 1 65 65 GLU CB C 13 30.245 0.025 . 1 . . . . . 611 GLU CB . 51522 1 692 . 1 . 1 65 65 GLU CG C 13 36.178 0.000 . 1 . . . . . 611 GLU CG . 51522 1 693 . 1 . 1 65 65 GLU N N 15 121.838 0.027 . 1 . . . . . 611 GLU N . 51522 1 694 . 1 . 1 66 66 GLU H H 1 8.356 0.002 . 1 . . . . . 612 GLU H . 51522 1 695 . 1 . 1 66 66 GLU HA H 1 4.222 0.001 . 1 . . . . . 612 GLU HA . 51522 1 696 . 1 . 1 66 66 GLU HB2 H 1 1.861 0.000 . 2 . . . . . 612 GLU HB2 . 51522 1 697 . 1 . 1 66 66 GLU HB3 H 1 1.983 0.000 . 2 . . . . . 612 GLU HB3 . 51522 1 698 . 1 . 1 66 66 GLU HG2 H 1 2.191 0.000 . 1 . . . . . 612 GLU HG2 . 51522 1 699 . 1 . 1 66 66 GLU HG3 H 1 2.191 0.000 . 1 . . . . . 612 GLU HG3 . 51522 1 700 . 1 . 1 66 66 GLU C C 13 176.073 0.000 . 1 . . . . . 612 GLU C . 51522 1 701 . 1 . 1 66 66 GLU CA C 13 56.561 0.051 . 1 . . . . . 612 GLU CA . 51522 1 702 . 1 . 1 66 66 GLU CB C 13 30.691 0.025 . 1 . . . . . 612 GLU CB . 51522 1 703 . 1 . 1 66 66 GLU CG C 13 36.138 0.000 . 1 . . . . . 612 GLU CG . 51522 1 704 . 1 . 1 66 66 GLU N N 15 121.852 0.018 . 1 . . . . . 612 GLU N . 51522 1 705 . 1 . 1 67 67 ASP H H 1 8.398 0.003 . 1 . . . . . 613 ASP H . 51522 1 706 . 1 . 1 67 67 ASP HA H 1 4.553 0.001 . 1 . . . . . 613 ASP HA . 51522 1 707 . 1 . 1 67 67 ASP HB2 H 1 2.550 0.000 . 2 . . . . . 613 ASP HB2 . 51522 1 708 . 1 . 1 67 67 ASP HB3 H 1 2.659 0.000 . 2 . . . . . 613 ASP HB3 . 51522 1 709 . 1 . 1 67 67 ASP C C 13 176.255 0.000 . 1 . . . . . 613 ASP C . 51522 1 710 . 1 . 1 67 67 ASP CA C 13 54.314 0.022 . 1 . . . . . 613 ASP CA . 51522 1 711 . 1 . 1 67 67 ASP CB C 13 41.328 0.036 . 1 . . . . . 613 ASP CB . 51522 1 712 . 1 . 1 67 67 ASP N N 15 121.801 0.013 . 1 . . . . . 613 ASP N . 51522 1 713 . 1 . 1 68 68 GLU H H 1 8.380 0.002 . 1 . . . . . 614 GLU H . 51522 1 714 . 1 . 1 68 68 GLU HA H 1 4.213 0.004 . 1 . . . . . 614 GLU HA . 51522 1 715 . 1 . 1 68 68 GLU HB2 H 1 1.891 0.000 . 2 . . . . . 614 GLU HB2 . 51522 1 716 . 1 . 1 68 68 GLU HB3 H 1 2.000 0.000 . 2 . . . . . 614 GLU HB3 . 51522 1 717 . 1 . 1 68 68 GLU HG2 H 1 2.204 0.000 . 1 . . . . . 614 GLU HG2 . 51522 1 718 . 1 . 1 68 68 GLU HG3 H 1 2.204 0.000 . 1 . . . . . 614 GLU HG3 . 51522 1 719 . 1 . 1 68 68 GLU C C 13 176.553 0.000 . 1 . . . . . 614 GLU C . 51522 1 720 . 1 . 1 68 68 GLU CA C 13 56.698 0.021 . 1 . . . . . 614 GLU CA . 51522 1 721 . 1 . 1 68 68 GLU CB C 13 30.512 0.019 . 1 . . . . . 614 GLU CB . 51522 1 722 . 1 . 1 68 68 GLU CG C 13 36.158 0.000 . 1 . . . . . 614 GLU CG . 51522 1 723 . 1 . 1 68 68 GLU N N 15 121.927 0.015 . 1 . . . . . 614 GLU N . 51522 1 724 . 1 . 1 69 69 GLU H H 1 8.442 0.003 . 1 . . . . . 615 GLU H . 51522 1 725 . 1 . 1 69 69 GLU HA H 1 4.203 0.003 . 1 . . . . . 615 GLU HA . 51522 1 726 . 1 . 1 69 69 GLU HB2 H 1 1.898 0.000 . 2 . . . . . 615 GLU HB2 . 51522 1 727 . 1 . 1 69 69 GLU HB3 H 1 1.991 0.000 . 2 . . . . . 615 GLU HB3 . 51522 1 728 . 1 . 1 69 69 GLU HG2 H 1 2.206 0.000 . 1 . . . . . 615 GLU HG2 . 51522 1 729 . 1 . 1 69 69 GLU HG3 H 1 2.206 0.000 . 1 . . . . . 615 GLU HG3 . 51522 1 730 . 1 . 1 69 69 GLU C C 13 176.549 0.000 . 1 . . . . . 615 GLU C . 51522 1 731 . 1 . 1 69 69 GLU CA C 13 56.744 0.031 . 1 . . . . . 615 GLU CA . 51522 1 732 . 1 . 1 69 69 GLU CB C 13 30.349 0.025 . 1 . . . . . 615 GLU CB . 51522 1 733 . 1 . 1 69 69 GLU CG C 13 36.149 0.000 . 1 . . . . . 615 GLU CG . 51522 1 734 . 1 . 1 69 69 GLU N N 15 122.199 0.012 . 1 . . . . . 615 GLU N . 51522 1 735 . 1 . 1 70 70 GLU H H 1 8.439 0.002 . 1 . . . . . 616 GLU H . 51522 1 736 . 1 . 1 70 70 GLU HA H 1 4.168 0.001 . 1 . . . . . 616 GLU HA . 51522 1 737 . 1 . 1 70 70 GLU HB2 H 1 1.925 0.000 . 2 . . . . . 616 GLU HB2 . 51522 1 738 . 1 . 1 70 70 GLU HB3 H 1 1.996 0.000 . 2 . . . . . 616 GLU HB3 . 51522 1 739 . 1 . 1 70 70 GLU HG2 H 1 2.214 0.000 . 1 . . . . . 616 GLU HG2 . 51522 1 740 . 1 . 1 70 70 GLU HG3 H 1 2.214 0.000 . 1 . . . . . 616 GLU HG3 . 51522 1 741 . 1 . 1 70 70 GLU C C 13 177.058 0.000 . 1 . . . . . 616 GLU C . 51522 1 742 . 1 . 1 70 70 GLU CA C 13 57.019 0.049 . 1 . . . . . 616 GLU CA . 51522 1 743 . 1 . 1 70 70 GLU CB C 13 30.348 0.030 . 1 . . . . . 616 GLU CB . 51522 1 744 . 1 . 1 70 70 GLU CG C 13 36.182 0.000 . 1 . . . . . 616 GLU CG . 51522 1 745 . 1 . 1 70 70 GLU N N 15 122.442 0.008 . 1 . . . . . 616 GLU N . 51522 1 746 . 1 . 1 71 71 GLY H H 1 8.414 0.002 . 1 . . . . . 617 GLY H . 51522 1 747 . 1 . 1 71 71 GLY HA2 H 1 3.885 0.000 . 1 . . . . . 617 GLY HA2 . 51522 1 748 . 1 . 1 71 71 GLY HA3 H 1 3.885 0.000 . 1 . . . . . 617 GLY HA3 . 51522 1 749 . 1 . 1 71 71 GLY C C 13 174.101 0.000 . 1 . . . . . 617 GLY C . 51522 1 750 . 1 . 1 71 71 GLY CA C 13 45.412 0.031 . 1 . . . . . 617 GLY CA . 51522 1 751 . 1 . 1 71 71 GLY N N 15 109.970 0.006 . 1 . . . . . 617 GLY N . 51522 1 752 . 1 . 1 72 72 ILE H H 1 7.950 0.009 . 1 . . . . . 618 ILE H . 51522 1 753 . 1 . 1 72 72 ILE HA H 1 4.131 0.002 . 1 . . . . . 618 ILE HA . 51522 1 754 . 1 . 1 72 72 ILE HB H 1 1.774 0.001 . 1 . . . . . 618 ILE HB . 51522 1 755 . 1 . 1 72 72 ILE HG12 H 1 1.082 0.000 . 2 . . . . . 618 ILE HG12 . 51522 1 756 . 1 . 1 72 72 ILE HG13 H 1 1.356 0.000 . 2 . . . . . 618 ILE HG13 . 51522 1 757 . 1 . 1 72 72 ILE HG21 H 1 0.755 0.000 . 1 . . . . . 618 ILE HG21 . 51522 1 758 . 1 . 1 72 72 ILE HG22 H 1 0.755 0.000 . 1 . . . . . 618 ILE HG22 . 51522 1 759 . 1 . 1 72 72 ILE HG23 H 1 0.755 0.000 . 1 . . . . . 618 ILE HG23 . 51522 1 760 . 1 . 1 72 72 ILE HD11 H 1 0.755 0.000 . 1 . . . . . 618 ILE HD11 . 51522 1 761 . 1 . 1 72 72 ILE HD12 H 1 0.755 0.000 . 1 . . . . . 618 ILE HD12 . 51522 1 762 . 1 . 1 72 72 ILE HD13 H 1 0.755 0.000 . 1 . . . . . 618 ILE HD13 . 51522 1 763 . 1 . 1 72 72 ILE C C 13 176.430 0.000 . 1 . . . . . 618 ILE C . 51522 1 764 . 1 . 1 72 72 ILE CA C 13 61.268 0.009 . 1 . . . . . 618 ILE CA . 51522 1 765 . 1 . 1 72 72 ILE CB C 13 38.699 0.039 . 1 . . . . . 618 ILE CB . 51522 1 766 . 1 . 1 72 72 ILE CG1 C 13 27.211 0.000 . 1 . . . . . 618 ILE CG1 . 51522 1 767 . 1 . 1 72 72 ILE CG2 C 13 17.335 0.000 . 1 . . . . . 618 ILE CG2 . 51522 1 768 . 1 . 1 72 72 ILE CD1 C 13 12.899 0.000 . 1 . . . . . 618 ILE CD1 . 51522 1 769 . 1 . 1 72 72 ILE N N 15 120.233 0.025 . 1 . . . . . 618 ILE N . 51522 1 770 . 1 . 1 73 73 THR H H 1 8.139 0.004 . 1 . . . . . 619 THR H . 51522 1 771 . 1 . 1 73 73 THR HA H 1 4.253 0.000 . 1 . . . . . 619 THR HA . 51522 1 772 . 1 . 1 73 73 THR HB H 1 4.047 0.000 . 1 . . . . . 619 THR HB . 51522 1 773 . 1 . 1 73 73 THR HG21 H 1 1.067 0.000 . 1 . . . . . 619 THR HG21 . 51522 1 774 . 1 . 1 73 73 THR HG22 H 1 1.067 0.000 . 1 . . . . . 619 THR HG22 . 51522 1 775 . 1 . 1 73 73 THR HG23 H 1 1.067 0.000 . 1 . . . . . 619 THR HG23 . 51522 1 776 . 1 . 1 73 73 THR C C 13 173.938 0.000 . 1 . . . . . 619 THR C . 51522 1 777 . 1 . 1 73 73 THR CA C 13 61.818 0.106 . 1 . . . . . 619 THR CA . 51522 1 778 . 1 . 1 73 73 THR CB C 13 69.876 0.031 . 1 . . . . . 619 THR CB . 51522 1 779 . 1 . 1 73 73 THR CG2 C 13 21.541 0.000 . 1 . . . . . 619 THR CG2 . 51522 1 780 . 1 . 1 73 73 THR N N 15 118.167 0.010 . 1 . . . . . 619 THR N . 51522 1 781 . 1 . 1 74 74 PHE H H 1 8.206 0.003 . 1 . . . . . 620 PHE H . 51522 1 782 . 1 . 1 74 74 PHE HA H 1 4.563 0.000 . 1 . . . . . 620 PHE HA . 51522 1 783 . 1 . 1 74 74 PHE HB2 H 1 2.939 0.000 . 2 . . . . . 620 PHE HB2 . 51522 1 784 . 1 . 1 74 74 PHE HB3 H 1 3.046 0.000 . 2 . . . . . 620 PHE HB3 . 51522 1 785 . 1 . 1 74 74 PHE C C 13 175.140 0.000 . 1 . . . . . 620 PHE C . 51522 1 786 . 1 . 1 74 74 PHE CA C 13 57.687 0.032 . 1 . . . . . 620 PHE CA . 51522 1 787 . 1 . 1 74 74 PHE CB C 13 39.762 0.054 . 1 . . . . . 620 PHE CB . 51522 1 788 . 1 . 1 74 74 PHE N N 15 122.837 0.007 . 1 . . . . . 620 PHE N . 51522 1 789 . 1 . 1 75 75 GLN H H 1 8.220 0.001 . 1 . . . . . 621 GLN H . 51522 1 790 . 1 . 1 75 75 GLN HA H 1 4.272 0.000 . 1 . . . . . 621 GLN HA . 51522 1 791 . 1 . 1 75 75 GLN HB2 H 1 1.837 0.000 . 2 . . . . . 621 GLN HB2 . 51522 1 792 . 1 . 1 75 75 GLN HB3 H 1 1.950 0.000 . 2 . . . . . 621 GLN HB3 . 51522 1 793 . 1 . 1 75 75 GLN HG2 H 1 2.225 0.000 . 1 . . . . . 621 GLN HG2 . 51522 1 794 . 1 . 1 75 75 GLN HG3 H 1 2.225 0.000 . 1 . . . . . 621 GLN HG3 . 51522 1 795 . 1 . 1 75 75 GLN C C 13 175.312 0.000 . 1 . . . . . 621 GLN C . 51522 1 796 . 1 . 1 75 75 GLN CA C 13 55.441 0.044 . 1 . . . . . 621 GLN CA . 51522 1 797 . 1 . 1 75 75 GLN CB C 13 29.850 0.065 . 1 . . . . . 621 GLN CB . 51522 1 798 . 1 . 1 75 75 GLN CG C 13 33.560 0.000 . 1 . . . . . 621 GLN CG . 51522 1 799 . 1 . 1 75 75 GLN N N 15 122.554 0.020 . 1 . . . . . 621 GLN N . 51522 1 800 . 1 . 1 76 76 VAL H H 1 8.207 0.002 . 1 . . . . . 622 VAL H . 51522 1 801 . 1 . 1 76 76 VAL HA H 1 3.983 0.001 . 1 . . . . . 622 VAL HA . 51522 1 802 . 1 . 1 76 76 VAL HB H 1 1.980 0.000 . 1 . . . . . 622 VAL HB . 51522 1 803 . 1 . 1 76 76 VAL HG11 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG11 . 51522 1 804 . 1 . 1 76 76 VAL HG12 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG12 . 51522 1 805 . 1 . 1 76 76 VAL HG13 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG13 . 51522 1 806 . 1 . 1 76 76 VAL HG21 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG21 . 51522 1 807 . 1 . 1 76 76 VAL HG22 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG22 . 51522 1 808 . 1 . 1 76 76 VAL HG23 H 1 0.892 0.000 . 1 . . . . . 622 VAL HG23 . 51522 1 809 . 1 . 1 76 76 VAL C C 13 175.976 0.000 . 1 . . . . . 622 VAL C . 51522 1 810 . 1 . 1 76 76 VAL CA C 13 62.332 0.032 . 1 . . . . . 622 VAL CA . 51522 1 811 . 1 . 1 76 76 VAL CB C 13 32.810 0.035 . 1 . . . . . 622 VAL CB . 51522 1 812 . 1 . 1 76 76 VAL CG1 C 13 20.896 0.000 . 1 . . . . . 622 VAL CG1 . 51522 1 813 . 1 . 1 76 76 VAL CG2 C 13 20.896 0.000 . 1 . . . . . 622 VAL CG2 . 51522 1 814 . 1 . 1 76 76 VAL N N 15 122.359 0.023 . 1 . . . . . 622 VAL N . 51522 1 815 . 1 . 1 77 77 GLN H H 1 8.473 0.002 . 1 . . . . . 623 GLN H . 51522 1 816 . 1 . 1 77 77 GLN HA H 1 4.274 0.001 . 1 . . . . . 623 GLN HA . 51522 1 817 . 1 . 1 77 77 GLN HB2 H 1 1.895 0.000 . 2 . . . . . 623 GLN HB2 . 51522 1 818 . 1 . 1 77 77 GLN HB3 H 1 1.987 0.000 . 2 . . . . . 623 GLN HB3 . 51522 1 819 . 1 . 1 77 77 GLN HG2 H 1 2.285 0.000 . 1 . . . . . 623 GLN HG2 . 51522 1 820 . 1 . 1 77 77 GLN HG3 H 1 2.285 0.000 . 1 . . . . . 623 GLN HG3 . 51522 1 821 . 1 . 1 77 77 GLN C C 13 175.472 0.000 . 1 . . . . . 623 GLN C . 51522 1 822 . 1 . 1 77 77 GLN CA C 13 55.508 0.022 . 1 . . . . . 623 GLN CA . 51522 1 823 . 1 . 1 77 77 GLN CB C 13 29.641 0.051 . 1 . . . . . 623 GLN CB . 51522 1 824 . 1 . 1 77 77 GLN CG C 13 33.590 0.000 . 1 . . . . . 623 GLN CG . 51522 1 825 . 1 . 1 77 77 GLN N N 15 124.819 0.015 . 1 . . . . . 623 GLN N . 51522 1 826 . 1 . 1 78 78 GLN H H 1 8.480 0.002 . 1 . . . . . 624 GLN H . 51522 1 827 . 1 . 1 78 78 GLN CA C 13 53.656 0.015 . 1 . . . . . 624 GLN CA . 51522 1 828 . 1 . 1 78 78 GLN CB C 13 28.921 0.005 . 1 . . . . . 624 GLN CB . 51522 1 829 . 1 . 1 78 78 GLN N N 15 123.883 0.083 . 1 . . . . . 624 GLN N . 51522 1 830 . 1 . 1 79 79 PRO HA H 1 4.351 0.000 . 1 . . . . . 625 PRO HA . 51522 1 831 . 1 . 1 79 79 PRO HB2 H 1 1.843 0.000 . 2 . . . . . 625 PRO HB2 . 51522 1 832 . 1 . 1 79 79 PRO HB3 H 1 2.231 0.000 . 2 . . . . . 625 PRO HB3 . 51522 1 833 . 1 . 1 79 79 PRO HG2 H 1 1.966 0.000 . 1 . . . . . 625 PRO HG2 . 51522 1 834 . 1 . 1 79 79 PRO HG3 H 1 1.966 0.000 . 1 . . . . . 625 PRO HG3 . 51522 1 835 . 1 . 1 79 79 PRO HD2 H 1 3.591 0.000 . 2 . . . . . 625 PRO HD2 . 51522 1 836 . 1 . 1 79 79 PRO HD3 H 1 3.738 0.000 . 2 . . . . . 625 PRO HD3 . 51522 1 837 . 1 . 1 79 79 PRO C C 13 176.549 0.000 . 1 . . . . . 625 PRO C . 51522 1 838 . 1 . 1 79 79 PRO CA C 13 63.035 0.054 . 1 . . . . . 625 PRO CA . 51522 1 839 . 1 . 1 79 79 PRO CB C 13 32.085 0.059 . 1 . . . . . 625 PRO CB . 51522 1 840 . 1 . 1 79 79 PRO CG C 13 27.366 0.000 . 1 . . . . . 625 PRO CG . 51522 1 841 . 1 . 1 79 79 PRO CD C 13 50.450 0.000 . 1 . . . . . 625 PRO CD . 51522 1 842 . 1 . 1 80 80 LEU H H 1 8.317 0.002 . 1 . . . . . 626 LEU H . 51522 1 843 . 1 . 1 80 80 LEU HB2 H 1 1.541 0.002 . 1 . . . . . 626 LEU HB2 . 51522 1 844 . 1 . 1 80 80 LEU HB3 H 1 1.541 0.002 . 1 . . . . . 626 LEU HB3 . 51522 1 845 . 1 . 1 80 80 LEU HD11 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD11 . 51522 1 846 . 1 . 1 80 80 LEU HD12 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD12 . 51522 1 847 . 1 . 1 80 80 LEU HD13 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD13 . 51522 1 848 . 1 . 1 80 80 LEU HD21 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD21 . 51522 1 849 . 1 . 1 80 80 LEU HD22 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD22 . 51522 1 850 . 1 . 1 80 80 LEU HD23 H 1 0.859 0.000 . 1 . . . . . 626 LEU HD23 . 51522 1 851 . 1 . 1 80 80 LEU C C 13 177.326 0.000 . 1 . . . . . 626 LEU C . 51522 1 852 . 1 . 1 80 80 LEU CA C 13 55.145 0.058 . 1 . . . . . 626 LEU CA . 51522 1 853 . 1 . 1 80 80 LEU CB C 13 42.584 0.019 . 1 . . . . . 626 LEU CB . 51522 1 854 . 1 . 1 80 80 LEU CD1 C 13 24.801 0.000 . 2 . . . . . 626 LEU CD1 . 51522 1 855 . 1 . 1 80 80 LEU CD2 C 13 23.557 0.000 . 2 . . . . . 626 LEU CD2 . 51522 1 856 . 1 . 1 80 80 LEU N N 15 122.700 0.008 . 1 . . . . . 626 LEU N . 51522 1 857 . 1 . 1 81 81 GLU H H 1 8.373 0.002 . 1 . . . . . 627 GLU H . 51522 1 858 . 1 . 1 81 81 GLU HA H 1 4.273 0.000 . 1 . . . . . 627 GLU HA . 51522 1 859 . 1 . 1 81 81 GLU HB2 H 1 1.857 0.000 . 2 . . . . . 627 GLU HB2 . 51522 1 860 . 1 . 1 81 81 GLU HB3 H 1 1.957 0.000 . 2 . . . . . 627 GLU HB3 . 51522 1 861 . 1 . 1 81 81 GLU HG2 H 1 2.182 0.000 . 1 . . . . . 627 GLU HG2 . 51522 1 862 . 1 . 1 81 81 GLU HG3 H 1 2.182 0.000 . 1 . . . . . 627 GLU HG3 . 51522 1 863 . 1 . 1 81 81 GLU C C 13 176.019 0.000 . 1 . . . . . 627 GLU C . 51522 1 864 . 1 . 1 81 81 GLU CA C 13 56.300 0.011 . 1 . . . . . 627 GLU CA . 51522 1 865 . 1 . 1 81 81 GLU CB C 13 30.391 0.020 . 1 . . . . . 627 GLU CB . 51522 1 866 . 1 . 1 81 81 GLU CG C 13 36.085 0.000 . 1 . . . . . 627 GLU CG . 51522 1 867 . 1 . 1 81 81 GLU N N 15 122.265 0.020 . 1 . . . . . 627 GLU N . 51522 1 868 . 1 . 1 82 82 VAL H H 1 8.149 0.002 . 1 . . . . . 628 VAL H . 51522 1 869 . 1 . 1 82 82 VAL HA H 1 4.083 0.000 . 1 . . . . . 628 VAL HA . 51522 1 870 . 1 . 1 82 82 VAL HB H 1 1.991 0.003 . 1 . . . . . 628 VAL HB . 51522 1 871 . 1 . 1 82 82 VAL HG11 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG11 . 51522 1 872 . 1 . 1 82 82 VAL HG12 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG12 . 51522 1 873 . 1 . 1 82 82 VAL HG13 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG13 . 51522 1 874 . 1 . 1 82 82 VAL HG21 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG21 . 51522 1 875 . 1 . 1 82 82 VAL HG22 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG22 . 51522 1 876 . 1 . 1 82 82 VAL HG23 H 1 0.860 0.000 . 1 . . . . . 628 VAL HG23 . 51522 1 877 . 1 . 1 82 82 VAL C C 13 175.734 0.000 . 1 . . . . . 628 VAL C . 51522 1 878 . 1 . 1 82 82 VAL CA C 13 61.880 0.019 . 1 . . . . . 628 VAL CA . 51522 1 879 . 1 . 1 82 82 VAL CB C 13 33.223 0.046 . 1 . . . . . 628 VAL CB . 51522 1 880 . 1 . 1 82 82 VAL CG1 C 13 20.316 0.000 . 2 . . . . . 628 VAL CG1 . 51522 1 881 . 1 . 1 82 82 VAL CG2 C 13 21.181 0.000 . 2 . . . . . 628 VAL CG2 . 51522 1 882 . 1 . 1 82 82 VAL N N 15 121.300 0.009 . 1 . . . . . 628 VAL N . 51522 1 883 . 1 . 1 83 83 GLU H H 1 8.472 0.004 . 1 . . . . . 629 GLU H . 51522 1 884 . 1 . 1 83 83 GLU HA H 1 4.276 0.000 . 1 . . . . . 629 GLU HA . 51522 1 885 . 1 . 1 83 83 GLU HB2 H 1 1.863 0.000 . 2 . . . . . 629 GLU HB2 . 51522 1 886 . 1 . 1 83 83 GLU HB3 H 1 2.007 0.000 . 2 . . . . . 629 GLU HB3 . 51522 1 887 . 1 . 1 83 83 GLU HG2 H 1 2.204 0.000 . 1 . . . . . 629 GLU HG2 . 51522 1 888 . 1 . 1 83 83 GLU HG3 H 1 2.204 0.000 . 1 . . . . . 629 GLU HG3 . 51522 1 889 . 1 . 1 83 83 GLU C C 13 175.362 0.001 . 1 . . . . . 629 GLU C . 51522 1 890 . 1 . 1 83 83 GLU CA C 13 56.392 0.017 . 1 . . . . . 629 GLU CA . 51522 1 891 . 1 . 1 83 83 GLU CB C 13 30.586 0.002 . 1 . . . . . 629 GLU CB . 51522 1 892 . 1 . 1 83 83 GLU CG C 13 36.251 0.000 . 1 . . . . . 629 GLU CG . 51522 1 893 . 1 . 1 83 83 GLU N N 15 125.870 0.028 . 1 . . . . . 629 GLU N . 51522 1 894 . 1 . 1 84 84 GLU H H 1 8.043 0.003 . 1 . . . . . 630 GLU H . 51522 1 895 . 1 . 1 84 84 GLU CA C 13 58.018 0.000 . 1 . . . . . 630 GLU CA . 51522 1 896 . 1 . 1 84 84 GLU CB C 13 31.199 0.000 . 1 . . . . . 630 GLU CB . 51522 1 897 . 1 . 1 84 84 GLU N N 15 127.975 0.008 . 1 . . . . . 630 GLU N . 51522 1 stop_ save_