data_25750 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25750 _Entry.Title ; NMR Structure of the C-terminal Coiled-Coil Domain of CIN85 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-11 _Entry.Accession_date 2015-08-11 _Entry.Last_release_date 2016-07-11 _Entry.Original_release_date 2016-07-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Michael Habeck . . . . 25750 2 Stefan Becker . . . . 25750 3 Christian Griesinger . . . . 25750 4 Leo Wong . E. . . 25750 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25750 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Adaptor Protein' . 25750 'B-cell Antigen Receptor Signaling' . 25750 'Cbl-Interacting Protein of 85 kDa' . 25750 'Coiled-Coil Domain' . 25750 'Signaling Protein' . 25750 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25750 heteronucl_T2_relaxation 1 25750 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 25750 '15N chemical shifts' 79 25750 '1H chemical shifts' 301 25750 'T2 relaxation values' 60 25750 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 . . 2016-07-11 . original BMRB . 25750 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N64 'BMRB Entry Tracking System' 25750 PDB 5abs 'Entry containing X-ray crystal structure of the same domain.' 25750 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25750 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27353366 _Citation.Full_citation . _Citation.Title ; The adaptor protein CIN85 assembles intracellular signaling clusters for B cell activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 434 _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 66 _Citation.Page_last 66 _Citation.Year 2016 _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 Julius Kuehn . . . . 25750 1 2 Leo Wong . E. . . 25750 1 3 Sona Pirkuliyeva . . . . 25750 1 4 Facundo Batista . D. . . 25750 1 5 Claudia Schwiegk . . . . 25750 1 6 Kevser Gencalp . . . . 25750 1 7 Henning Urlaub . . . . 25750 1 8 Michael Habeck . . . . 25750 1 9 Stefan Becker . . . . 25750 1 10 Christian Griesinger . . . . 25750 1 11 Juergen Wienands . . . . 25750 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25750 _Assembly.ID 1 _Assembly.Name 'CIN85 CC-domain trimer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CIN85 CC-domain, chain 1' 1 $CIN85_CC-domain A . yes native no no . . . 25750 1 2 'CIN85 CC-domain, chain 2' 1 $CIN85_CC-domain B . yes native no no . . . 25750 1 3 'CIN85 CC-domain, chain 3' 1 $CIN85_CC-domain C . yes native no no . . . 25750 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIN85_CC-domain _Entity.Sf_category entity _Entity.Sf_framecode CIN85_CC-domain _Entity.Entry_ID 25750 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIN85_CC-domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMEGKPKMEPAASSQAAVE ELRTQVRELRSIIETMKDQQ KREIKQLLSELDEEKKIRLR LQMEVNDIKKALQSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method nat _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8762.257 _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 Q96B97 . SH3K1_HUMAN . . . . . . . . . . . . . . 25750 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 1 591 GLY . 25750 1 2 592 HIS . 25750 1 3 593 MET . 25750 1 4 594 GLU . 25750 1 5 595 GLY . 25750 1 6 596 LYS . 25750 1 7 597 PRO . 25750 1 8 598 LYS . 25750 1 9 599 MET . 25750 1 10 600 GLU . 25750 1 11 601 PRO . 25750 1 12 602 ALA . 25750 1 13 603 ALA . 25750 1 14 604 SER . 25750 1 15 605 SER . 25750 1 16 606 GLN . 25750 1 17 607 ALA . 25750 1 18 608 ALA . 25750 1 19 609 VAL . 25750 1 20 610 GLU . 25750 1 21 611 GLU . 25750 1 22 612 LEU . 25750 1 23 613 ARG . 25750 1 24 614 THR . 25750 1 25 615 GLN . 25750 1 26 616 VAL . 25750 1 27 617 ARG . 25750 1 28 618 GLU . 25750 1 29 619 LEU . 25750 1 30 620 ARG . 25750 1 31 621 SER . 25750 1 32 622 ILE . 25750 1 33 623 ILE . 25750 1 34 624 GLU . 25750 1 35 625 THR . 25750 1 36 626 MET . 25750 1 37 627 LYS . 25750 1 38 628 ASP . 25750 1 39 629 GLN . 25750 1 40 630 GLN . 25750 1 41 631 LYS . 25750 1 42 632 ARG . 25750 1 43 633 GLU . 25750 1 44 634 ILE . 25750 1 45 635 LYS . 25750 1 46 636 GLN . 25750 1 47 637 LEU . 25750 1 48 638 LEU . 25750 1 49 639 SER . 25750 1 50 640 GLU . 25750 1 51 641 LEU . 25750 1 52 642 ASP . 25750 1 53 643 GLU . 25750 1 54 644 GLU . 25750 1 55 645 LYS . 25750 1 56 646 LYS . 25750 1 57 647 ILE . 25750 1 58 648 ARG . 25750 1 59 649 LEU . 25750 1 60 650 ARG . 25750 1 61 651 LEU . 25750 1 62 652 GLN . 25750 1 63 653 MET . 25750 1 64 654 GLU . 25750 1 65 655 VAL . 25750 1 66 656 ASN . 25750 1 67 657 ASP . 25750 1 68 658 ILE . 25750 1 69 659 LYS . 25750 1 70 660 LYS . 25750 1 71 661 ALA . 25750 1 72 662 LEU . 25750 1 73 663 GLN . 25750 1 74 664 SER . 25750 1 75 665 LYS . 25750 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 25750 1 . HIS 2 2 25750 1 . MET 3 3 25750 1 . GLU 4 4 25750 1 . GLY 5 5 25750 1 . LYS 6 6 25750 1 . PRO 7 7 25750 1 . LYS 8 8 25750 1 . MET 9 9 25750 1 . GLU 10 10 25750 1 . PRO 11 11 25750 1 . ALA 12 12 25750 1 . ALA 13 13 25750 1 . SER 14 14 25750 1 . SER 15 15 25750 1 . GLN 16 16 25750 1 . ALA 17 17 25750 1 . ALA 18 18 25750 1 . VAL 19 19 25750 1 . GLU 20 20 25750 1 . GLU 21 21 25750 1 . LEU 22 22 25750 1 . ARG 23 23 25750 1 . THR 24 24 25750 1 . GLN 25 25 25750 1 . VAL 26 26 25750 1 . ARG 27 27 25750 1 . GLU 28 28 25750 1 . LEU 29 29 25750 1 . ARG 30 30 25750 1 . SER 31 31 25750 1 . ILE 32 32 25750 1 . ILE 33 33 25750 1 . GLU 34 34 25750 1 . THR 35 35 25750 1 . MET 36 36 25750 1 . LYS 37 37 25750 1 . ASP 38 38 25750 1 . GLN 39 39 25750 1 . GLN 40 40 25750 1 . LYS 41 41 25750 1 . ARG 42 42 25750 1 . GLU 43 43 25750 1 . ILE 44 44 25750 1 . LYS 45 45 25750 1 . GLN 46 46 25750 1 . LEU 47 47 25750 1 . LEU 48 48 25750 1 . SER 49 49 25750 1 . GLU 50 50 25750 1 . LEU 51 51 25750 1 . ASP 52 52 25750 1 . GLU 53 53 25750 1 . GLU 54 54 25750 1 . LYS 55 55 25750 1 . LYS 56 56 25750 1 . ILE 57 57 25750 1 . ARG 58 58 25750 1 . LEU 59 59 25750 1 . ARG 60 60 25750 1 . LEU 61 61 25750 1 . GLN 62 62 25750 1 . MET 63 63 25750 1 . GLU 64 64 25750 1 . VAL 65 65 25750 1 . ASN 66 66 25750 1 . ASP 67 67 25750 1 . ILE 68 68 25750 1 . LYS 69 69 25750 1 . LYS 70 70 25750 1 . ALA 71 71 25750 1 . LEU 72 72 25750 1 . GLN 73 73 25750 1 . SER 74 74 25750 1 . LYS 75 75 25750 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25750 _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 $CIN85_CC-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SH3KBP1 . 25750 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25750 _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 $CIN85_CC-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET16b . . . 25750 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25750 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CIN85 CC-domain' '[U-13C; U-15N; U-2H]' . . 1 $CIN85_CC-domain . . 2 1 3 mM . . . . 25750 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25750 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CIN85 CC-domain' '[U-13C; U-15N; U-2H]' . . 1 $CIN85_CC-domain . . 2 1 3 mM . . . . 25750 2 2 'CIN85 CC-domain' [U-2H] . . 1 $CIN85_CC-domain . . 2 1 3 mM . . . . 25750 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25750 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 25750 1 pressure 1 . atm 25750 1 temperature 305 . K 25750 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25750 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25750 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25750 1 'peak picking' 25750 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 25750 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25750 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer Bruker Avance . 800 . . . 25750 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25750 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 8 '2D TRACT' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer . . . . . . . . . . . . . . . . 25750 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 25750 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 internal indirect 0.251449530 . . . . . 25750 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25750 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25750 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25750 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 3 '3D HNCACB' . . . 25750 1 4 '3D HNCO' . . . 25750 1 5 '3D HN(CA)CO' . . . 25750 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.561 0.020 . . . . . A 593 MET H . 25750 1 2 . 1 1 3 3 MET HB2 H 1 2.025 0.020 . . . . . A 593 MET HB2 . 25750 1 3 . 1 1 3 3 MET HB3 H 1 1.937 0.020 . . . . . A 593 MET HB3 . 25750 1 4 . 1 1 3 3 MET HG2 H 1 2.512 0.020 . . . . . A 593 MET HG2 . 25750 1 5 . 1 1 3 3 MET HG3 H 1 2.512 0.020 . . . . . A 593 MET HG3 . 25750 1 6 . 1 1 3 3 MET C C 13 172.571 0.300 . . . . . A 593 MET C . 25750 1 7 . 1 1 3 3 MET CA C 13 55.315 0.300 . . . . . A 593 MET CA . 25750 1 8 . 1 1 3 3 MET CB C 13 32.362 0.300 . . . . . A 593 MET CB . 25750 1 9 . 1 1 3 3 MET N N 15 122.785 0.300 . . . . . A 593 MET N . 25750 1 10 . 1 1 4 4 GLU H H 1 8.539 0.020 . . . . . A 594 GLU H . 25750 1 11 . 1 1 4 4 GLU HB2 H 1 2.040 0.020 . . . . . A 594 GLU HB2 . 25750 1 12 . 1 1 4 4 GLU HB3 H 1 1.918 0.020 . . . . . A 594 GLU HB3 . 25750 1 13 . 1 1 4 4 GLU C C 13 173.462 0.300 . . . . . A 594 GLU C . 25750 1 14 . 1 1 4 4 GLU CA C 13 56.350 0.300 . . . . . A 594 GLU CA . 25750 1 15 . 1 1 4 4 GLU CB C 13 29.674 0.300 . . . . . A 594 GLU CB . 25750 1 16 . 1 1 4 4 GLU N N 15 122.917 0.300 . . . . . A 594 GLU N . 25750 1 17 . 1 1 5 5 GLY H H 1 8.387 0.020 . . . . . A 595 GLY H . 25750 1 18 . 1 1 5 5 GLY C C 13 170.285 0.300 . . . . . A 595 GLY C . 25750 1 19 . 1 1 5 5 GLY CA C 13 44.822 0.300 . . . . . A 595 GLY CA . 25750 1 20 . 1 1 5 5 GLY N N 15 109.978 0.300 . . . . . A 595 GLY N . 25750 1 21 . 1 1 6 6 LYS H H 1 8.137 0.020 . . . . . A 596 LYS H . 25750 1 22 . 1 1 6 6 LYS HB2 H 1 1.778 0.020 . . . . . A 596 LYS HB2 . 25750 1 23 . 1 1 6 6 LYS HB3 H 1 1.665 0.020 . . . . . A 596 LYS HB3 . 25750 1 24 . 1 1 6 6 LYS HG2 H 1 1.440 0.020 . . . . . A 596 LYS HG2 . 25750 1 25 . 1 1 6 6 LYS HG3 H 1 1.393 0.020 . . . . . A 596 LYS HG3 . 25750 1 26 . 1 1 6 6 LYS HE2 H 1 3.051 0.020 . . . . . A 596 LYS HE2 . 25750 1 27 . 1 1 6 6 LYS HE3 H 1 3.051 0.020 . . . . . A 596 LYS HE3 . 25750 1 28 . 1 1 6 6 LYS C C 13 171.403 0.300 . . . . . A 596 LYS C . 25750 1 29 . 1 1 6 6 LYS CA C 13 53.942 0.300 . . . . . A 596 LYS CA . 25750 1 30 . 1 1 6 6 LYS CB C 13 31.959 0.300 . . . . . A 596 LYS CB . 25750 1 31 . 1 1 6 6 LYS CG C 13 23.776 0.300 . . . . . A 596 LYS CG . 25750 1 32 . 1 1 6 6 LYS N N 15 121.849 0.300 . . . . . A 596 LYS N . 25750 1 33 . 1 1 7 7 PRO C C 13 173.560 0.300 . . . . . A 597 PRO C . 25750 1 34 . 1 1 7 7 PRO CA C 13 62.855 0.300 . . . . . A 597 PRO CA . 25750 1 35 . 1 1 7 7 PRO CB C 13 32.387 0.300 . . . . . A 597 PRO CB . 25750 1 36 . 1 1 8 8 LYS H H 1 8.382 0.020 . . . . . A 598 LYS H . 25750 1 37 . 1 1 8 8 LYS HB2 H 1 1.768 0.020 . . . . . A 598 LYS HB2 . 25750 1 38 . 1 1 8 8 LYS HB3 H 1 1.712 0.020 . . . . . A 598 LYS HB3 . 25750 1 39 . 1 1 8 8 LYS HG2 H 1 1.421 0.020 . . . . . A 598 LYS HG2 . 25750 1 40 . 1 1 8 8 LYS HG3 H 1 1.365 0.020 . . . . . A 598 LYS HG3 . 25750 1 41 . 1 1 8 8 LYS C C 13 173.209 0.300 . . . . . A 598 LYS C . 25750 1 42 . 1 1 8 8 LYS CA C 13 56.286 0.300 . . . . . A 598 LYS CA . 25750 1 43 . 1 1 8 8 LYS CB C 13 32.387 0.300 . . . . . A 598 LYS CB . 25750 1 44 . 1 1 8 8 LYS CG C 13 23.956 0.300 . . . . . A 598 LYS CG . 25750 1 45 . 1 1 8 8 LYS N N 15 121.659 0.300 . . . . . A 598 LYS N . 25750 1 46 . 1 1 9 9 MET H H 1 8.321 0.020 . . . . . A 599 MET H . 25750 1 47 . 1 1 9 9 MET HB2 H 1 2.002 0.020 . . . . . A 599 MET HB2 . 25750 1 48 . 1 1 9 9 MET HB3 H 1 1.936 0.020 . . . . . A 599 MET HB3 . 25750 1 49 . 1 1 9 9 MET HE1 H 1 2.059 0.020 . . . . . A 599 MET HE1 . 25750 1 50 . 1 1 9 9 MET HE2 H 1 2.059 0.020 . . . . . A 599 MET HE2 . 25750 1 51 . 1 1 9 9 MET HE3 H 1 2.059 0.020 . . . . . A 599 MET HE3 . 25750 1 52 . 1 1 9 9 MET C C 13 172.476 0.300 . . . . . A 599 MET C . 25750 1 53 . 1 1 9 9 MET CA C 13 55.038 0.300 . . . . . A 599 MET CA . 25750 1 54 . 1 1 9 9 MET CB C 13 32.708 0.300 . . . . . A 599 MET CB . 25750 1 55 . 1 1 9 9 MET CE C 13 16.421 0.300 . . . . . A 599 MET CE . 25750 1 56 . 1 1 9 9 MET N N 15 121.884 0.300 . . . . . A 599 MET N . 25750 1 57 . 1 1 10 10 GLU H H 1 8.456 0.020 . . . . . A 600 GLU H . 25750 1 58 . 1 1 10 10 GLU HB2 H 1 2.044 0.020 . . . . . A 600 GLU HB2 . 25750 1 59 . 1 1 10 10 GLU HB3 H 1 1.871 0.020 . . . . . A 600 GLU HB3 . 25750 1 60 . 1 1 10 10 GLU C C 13 171.293 0.300 . . . . . A 600 GLU C . 25750 1 61 . 1 1 10 10 GLU CA C 13 53.952 0.300 . . . . . A 600 GLU CA . 25750 1 62 . 1 1 10 10 GLU CB C 13 28.933 0.300 . . . . . A 600 GLU CB . 25750 1 63 . 1 1 10 10 GLU N N 15 124.028 0.300 . . . . . A 600 GLU N . 25750 1 64 . 1 1 11 11 PRO HG2 H 1 1.994 0.020 . . . . . A 601 PRO HG2 . 25750 1 65 . 1 1 11 11 PRO HG3 H 1 1.966 0.020 . . . . . A 601 PRO HG3 . 25750 1 66 . 1 1 11 11 PRO C C 13 173.683 0.300 . . . . . A 601 PRO C . 25750 1 67 . 1 1 11 11 PRO CA C 13 63.104 0.300 . . . . . A 601 PRO CA . 25750 1 68 . 1 1 11 11 PRO CB C 13 31.571 0.300 . . . . . A 601 PRO CB . 25750 1 69 . 1 1 11 11 PRO CG C 13 26.733 0.300 . . . . . A 601 PRO CG . 25750 1 70 . 1 1 12 12 ALA H H 1 8.446 0.020 . . . . . A 602 ALA H . 25750 1 71 . 1 1 12 12 ALA HB1 H 1 1.379 0.020 . . . . . A 602 ALA HB1 . 25750 1 72 . 1 1 12 12 ALA HB2 H 1 1.379 0.020 . . . . . A 602 ALA HB2 . 25750 1 73 . 1 1 12 12 ALA HB3 H 1 1.379 0.020 . . . . . A 602 ALA HB3 . 25750 1 74 . 1 1 12 12 ALA C C 13 174.973 0.300 . . . . . A 602 ALA C . 25750 1 75 . 1 1 12 12 ALA CA C 13 52.579 0.300 . . . . . A 602 ALA CA . 25750 1 76 . 1 1 12 12 ALA CB C 13 18.396 0.300 . . . . . A 602 ALA CB . 25750 1 77 . 1 1 12 12 ALA N N 15 123.810 0.300 . . . . . A 602 ALA N . 25750 1 78 . 1 1 13 13 ALA H H 1 8.331 0.020 . . . . . A 603 ALA H . 25750 1 79 . 1 1 13 13 ALA HB1 H 1 1.408 0.020 . . . . . A 603 ALA HB1 . 25750 1 80 . 1 1 13 13 ALA HB2 H 1 1.408 0.020 . . . . . A 603 ALA HB2 . 25750 1 81 . 1 1 13 13 ALA HB3 H 1 1.408 0.020 . . . . . A 603 ALA HB3 . 25750 1 82 . 1 1 13 13 ALA C C 13 174.957 0.300 . . . . . A 603 ALA C . 25750 1 83 . 1 1 13 13 ALA CA C 13 52.831 0.300 . . . . . A 603 ALA CA . 25750 1 84 . 1 1 13 13 ALA CB C 13 18.511 0.300 . . . . . A 603 ALA CB . 25750 1 85 . 1 1 13 13 ALA N N 15 123.060 0.300 . . . . . A 603 ALA N . 25750 1 86 . 1 1 14 14 SER H H 1 8.191 0.020 . . . . . A 604 SER H . 25750 1 87 . 1 1 14 14 SER HB2 H 1 4.010 0.020 . . . . . A 604 SER HB2 . 25750 1 88 . 1 1 14 14 SER HB3 H 1 4.010 0.020 . . . . . A 604 SER HB3 . 25750 1 89 . 1 1 14 14 SER C C 13 172.290 0.300 . . . . . A 604 SER C . 25750 1 90 . 1 1 14 14 SER CA C 13 58.565 0.300 . . . . . A 604 SER CA . 25750 1 91 . 1 1 14 14 SER CB C 13 63.553 0.300 . . . . . A 604 SER CB . 25750 1 92 . 1 1 14 14 SER N N 15 113.944 0.300 . . . . . A 604 SER N . 25750 1 93 . 1 1 15 15 SER H H 1 8.442 0.020 . . . . . A 605 SER H . 25750 1 94 . 1 1 15 15 SER HB2 H 1 3.999 0.020 . . . . . A 605 SER HB2 . 25750 1 95 . 1 1 15 15 SER HB3 H 1 3.999 0.020 . . . . . A 605 SER HB3 . 25750 1 96 . 1 1 15 15 SER C C 13 172.251 0.300 . . . . . A 605 SER C . 25750 1 97 . 1 1 15 15 SER CA C 13 59.674 0.300 . . . . . A 605 SER CA . 25750 1 98 . 1 1 15 15 SER CB C 13 63.467 0.300 . . . . . A 605 SER CB . 25750 1 99 . 1 1 15 15 SER N N 15 118.421 0.300 . . . . . A 605 SER N . 25750 1 100 . 1 1 16 16 GLN H H 1 8.361 0.020 . . . . . A 606 GLN H . 25750 1 101 . 1 1 16 16 GLN HB3 H 1 2.068 0.020 . . . . . A 606 GLN HB3 . 25750 1 102 . 1 1 16 16 GLN HG2 H 1 2.508 0.020 . . . . . A 606 GLN HG2 . 25750 1 103 . 1 1 16 16 GLN HG3 H 1 2.398 0.020 . . . . . A 606 GLN HG3 . 25750 1 104 . 1 1 16 16 GLN HE21 H 1 7.563 0.020 . . . . . A 606 GLN HE21 . 25750 1 105 . 1 1 16 16 GLN HE22 H 1 6.775 0.020 . . . . . A 606 GLN HE22 . 25750 1 106 . 1 1 16 16 GLN C C 13 174.393 0.300 . . . . . A 606 GLN C . 25750 1 107 . 1 1 16 16 GLN CA C 13 57.781 0.300 . . . . . A 606 GLN CA . 25750 1 108 . 1 1 16 16 GLN CB C 13 27.901 0.300 . . . . . A 606 GLN CB . 25750 1 109 . 1 1 16 16 GLN CG C 13 33.068 0.300 . . . . . A 606 GLN CG . 25750 1 110 . 1 1 16 16 GLN N N 15 121.762 0.300 . . . . . A 606 GLN N . 25750 1 111 . 1 1 16 16 GLN NE2 N 15 111.537 0.300 . . . . . A 606 GLN NE2 . 25750 1 112 . 1 1 17 17 ALA H H 1 8.189 0.020 . . . . . A 607 ALA H . 25750 1 113 . 1 1 17 17 ALA HB1 H 1 1.435 0.020 . . . . . A 607 ALA HB1 . 25750 1 114 . 1 1 17 17 ALA HB2 H 1 1.435 0.020 . . . . . A 607 ALA HB2 . 25750 1 115 . 1 1 17 17 ALA HB3 H 1 1.435 0.020 . . . . . A 607 ALA HB3 . 25750 1 116 . 1 1 17 17 ALA C C 13 176.737 0.300 . . . . . A 607 ALA C . 25750 1 117 . 1 1 17 17 ALA CA C 13 54.398 0.300 . . . . . A 607 ALA CA . 25750 1 118 . 1 1 17 17 ALA CB C 13 17.591 0.300 . . . . . A 607 ALA CB . 25750 1 119 . 1 1 17 17 ALA N N 15 122.525 0.300 . . . . . A 607 ALA N . 25750 1 120 . 1 1 18 18 ALA H H 1 8.054 0.020 . . . . . A 608 ALA H . 25750 1 121 . 1 1 18 18 ALA HB1 H 1 1.461 0.020 . . . . . A 608 ALA HB1 . 25750 1 122 . 1 1 18 18 ALA HB2 H 1 1.461 0.020 . . . . . A 608 ALA HB2 . 25750 1 123 . 1 1 18 18 ALA HB3 H 1 1.461 0.020 . . . . . A 608 ALA HB3 . 25750 1 124 . 1 1 18 18 ALA C C 13 177.306 0.300 . . . . . A 608 ALA C . 25750 1 125 . 1 1 18 18 ALA CA C 13 54.499 0.300 . . . . . A 608 ALA CA . 25750 1 126 . 1 1 18 18 ALA CB C 13 18.152 0.300 . . . . . A 608 ALA CB . 25750 1 127 . 1 1 18 18 ALA N N 15 121.011 0.300 . . . . . A 608 ALA N . 25750 1 128 . 1 1 19 19 VAL H H 1 7.884 0.020 . . . . . A 609 VAL H . 25750 1 129 . 1 1 19 19 VAL HG11 H 1 0.947 0.020 . . . . . A 609 VAL HG11 . 25750 1 130 . 1 1 19 19 VAL HG12 H 1 0.947 0.020 . . . . . A 609 VAL HG12 . 25750 1 131 . 1 1 19 19 VAL HG13 H 1 0.947 0.020 . . . . . A 609 VAL HG13 . 25750 1 132 . 1 1 19 19 VAL HG21 H 1 0.845 0.020 . . . . . A 609 VAL HG21 . 25750 1 133 . 1 1 19 19 VAL HG22 H 1 0.845 0.020 . . . . . A 609 VAL HG22 . 25750 1 134 . 1 1 19 19 VAL HG23 H 1 0.845 0.020 . . . . . A 609 VAL HG23 . 25750 1 135 . 1 1 19 19 VAL C C 13 174.481 0.300 . . . . . A 609 VAL C . 25750 1 136 . 1 1 19 19 VAL CA C 13 66.272 0.300 . . . . . A 609 VAL CA . 25750 1 137 . 1 1 19 19 VAL CB C 13 30.991 0.300 . . . . . A 609 VAL CB . 25750 1 138 . 1 1 19 19 VAL CG1 C 13 22.334 0.300 . . . . . A 609 VAL CG1 . 25750 1 139 . 1 1 19 19 VAL CG2 C 13 20.618 0.300 . . . . . A 609 VAL CG2 . 25750 1 140 . 1 1 19 19 VAL N N 15 117.809 0.300 . . . . . A 609 VAL N . 25750 1 141 . 1 1 20 20 GLU H H 1 8.050 0.020 . . . . . A 610 GLU H . 25750 1 142 . 1 1 20 20 GLU HG2 H 1 2.414 0.020 . . . . . A 610 GLU HG2 . 25750 1 143 . 1 1 20 20 GLU HG3 H 1 2.263 0.020 . . . . . A 610 GLU HG3 . 25750 1 144 . 1 1 20 20 GLU C C 13 176.189 0.300 . . . . . A 610 GLU C . 25750 1 145 . 1 1 20 20 GLU CA C 13 58.981 0.300 . . . . . A 610 GLU CA . 25750 1 146 . 1 1 20 20 GLU CB C 13 28.249 0.300 . . . . . A 610 GLU CB . 25750 1 147 . 1 1 20 20 GLU CG C 13 34.914 0.300 . . . . . A 610 GLU CG . 25750 1 148 . 1 1 20 20 GLU N N 15 119.578 0.300 . . . . . A 610 GLU N . 25750 1 149 . 1 1 21 21 GLU H H 1 8.084 0.020 . . . . . A 611 GLU H . 25750 1 150 . 1 1 21 21 GLU HG2 H 1 2.415 0.020 . . . . . A 611 GLU HG2 . 25750 1 151 . 1 1 21 21 GLU HG3 H 1 2.255 0.020 . . . . . A 611 GLU HG3 . 25750 1 152 . 1 1 21 21 GLU C C 13 176.102 0.300 . . . . . A 611 GLU C . 25750 1 153 . 1 1 21 21 GLU CA C 13 59.065 0.300 . . . . . A 611 GLU CA . 25750 1 154 . 1 1 21 21 GLU CB C 13 28.407 0.300 . . . . . A 611 GLU CB . 25750 1 155 . 1 1 21 21 GLU CG C 13 35.166 0.300 . . . . . A 611 GLU CG . 25750 1 156 . 1 1 21 21 GLU N N 15 119.896 0.300 . . . . . A 611 GLU N . 25750 1 157 . 1 1 22 22 LEU H H 1 7.890 0.020 . . . . . A 612 LEU H . 25750 1 158 . 1 1 22 22 LEU HD11 H 1 0.877 0.020 . . . . . A 612 LEU HD11 . 25750 1 159 . 1 1 22 22 LEU HD12 H 1 0.877 0.020 . . . . . A 612 LEU HD12 . 25750 1 160 . 1 1 22 22 LEU HD13 H 1 0.877 0.020 . . . . . A 612 LEU HD13 . 25750 1 161 . 1 1 22 22 LEU HD21 H 1 0.843 0.020 . . . . . A 612 LEU HD21 . 25750 1 162 . 1 1 22 22 LEU HD22 H 1 0.843 0.020 . . . . . A 612 LEU HD22 . 25750 1 163 . 1 1 22 22 LEU HD23 H 1 0.843 0.020 . . . . . A 612 LEU HD23 . 25750 1 164 . 1 1 22 22 LEU C C 13 175.499 0.300 . . . . . A 612 LEU C . 25750 1 165 . 1 1 22 22 LEU CA C 13 57.766 0.300 . . . . . A 612 LEU CA . 25750 1 166 . 1 1 22 22 LEU CB C 13 41.673 0.300 . . . . . A 612 LEU CB . 25750 1 167 . 1 1 22 22 LEU CD1 C 13 25.084 0.300 . . . . . A 612 LEU CD1 . 25750 1 168 . 1 1 22 22 LEU CD2 C 13 23.471 0.300 . . . . . A 612 LEU CD2 . 25750 1 169 . 1 1 22 22 LEU N N 15 120.255 0.300 . . . . . A 612 LEU N . 25750 1 170 . 1 1 23 23 ARG H H 1 8.664 0.020 . . . . . A 613 ARG H . 25750 1 171 . 1 1 23 23 ARG HG2 H 1 1.867 0.020 . . . . . A 613 ARG HG2 . 25750 1 172 . 1 1 23 23 ARG HG3 H 1 1.591 0.020 . . . . . A 613 ARG HG3 . 25750 1 173 . 1 1 23 23 ARG HE H 1 7.416 0.020 . . . . . A 613 ARG HE . 25750 1 174 . 1 1 23 23 ARG C C 13 176.375 0.300 . . . . . A 613 ARG C . 25750 1 175 . 1 1 23 23 ARG CA C 13 60.238 0.300 . . . . . A 613 ARG CA . 25750 1 176 . 1 1 23 23 ARG CB C 13 29.383 0.300 . . . . . A 613 ARG CB . 25750 1 177 . 1 1 23 23 ARG CG C 13 27.430 0.300 . . . . . A 613 ARG CG . 25750 1 178 . 1 1 23 23 ARG N N 15 119.566 0.300 . . . . . A 613 ARG N . 25750 1 179 . 1 1 24 24 THR H H 1 8.094 0.020 . . . . . A 614 THR H . 25750 1 180 . 1 1 24 24 THR HG21 H 1 1.243 0.020 . . . . . A 614 THR HG21 . 25750 1 181 . 1 1 24 24 THR HG22 H 1 1.243 0.020 . . . . . A 614 THR HG22 . 25750 1 182 . 1 1 24 24 THR HG23 H 1 1.243 0.020 . . . . . A 614 THR HG23 . 25750 1 183 . 1 1 24 24 THR C C 13 173.276 0.300 . . . . . A 614 THR C . 25750 1 184 . 1 1 24 24 THR CA C 13 66.523 0.300 . . . . . A 614 THR CA . 25750 1 185 . 1 1 24 24 THR CB C 13 68.157 0.300 . . . . . A 614 THR CB . 25750 1 186 . 1 1 24 24 THR CG2 C 13 21.221 0.300 . . . . . A 614 THR CG2 . 25750 1 187 . 1 1 24 24 THR N N 15 116.563 0.300 . . . . . A 614 THR N . 25750 1 188 . 1 1 25 25 GLN H H 1 8.130 0.020 . . . . . A 615 GLN H . 25750 1 189 . 1 1 25 25 GLN HE21 H 1 7.461 0.020 . . . . . A 615 GLN HE21 . 25750 1 190 . 1 1 25 25 GLN HE22 H 1 6.603 0.020 . . . . . A 615 GLN HE22 . 25750 1 191 . 1 1 25 25 GLN C C 13 176.025 0.300 . . . . . A 615 GLN C . 25750 1 192 . 1 1 25 25 GLN CA C 13 59.149 0.300 . . . . . A 615 GLN CA . 25750 1 193 . 1 1 25 25 GLN CB C 13 28.249 0.300 . . . . . A 615 GLN CB . 25750 1 194 . 1 1 25 25 GLN N N 15 121.133 0.300 . . . . . A 615 GLN N . 25750 1 195 . 1 1 25 25 GLN NE2 N 15 110.456 0.300 . . . . . A 615 GLN NE2 . 25750 1 196 . 1 1 26 26 VAL H H 1 8.663 0.020 . . . . . A 616 VAL H . 25750 1 197 . 1 1 26 26 VAL HG11 H 1 0.938 0.020 . . . . . A 616 VAL HG11 . 25750 1 198 . 1 1 26 26 VAL HG12 H 1 0.938 0.020 . . . . . A 616 VAL HG12 . 25750 1 199 . 1 1 26 26 VAL HG13 H 1 0.938 0.020 . . . . . A 616 VAL HG13 . 25750 1 200 . 1 1 26 26 VAL HG21 H 1 0.894 0.020 . . . . . A 616 VAL HG21 . 25750 1 201 . 1 1 26 26 VAL HG22 H 1 0.894 0.020 . . . . . A 616 VAL HG22 . 25750 1 202 . 1 1 26 26 VAL HG23 H 1 0.894 0.020 . . . . . A 616 VAL HG23 . 25750 1 203 . 1 1 26 26 VAL C C 13 174.130 0.300 . . . . . A 616 VAL C . 25750 1 204 . 1 1 26 26 VAL CA C 13 67.172 0.300 . . . . . A 616 VAL CA . 25750 1 205 . 1 1 26 26 VAL CB C 13 30.864 0.300 . . . . . A 616 VAL CB . 25750 1 206 . 1 1 26 26 VAL CG1 C 13 23.293 0.300 . . . . . A 616 VAL CG1 . 25750 1 207 . 1 1 26 26 VAL CG2 C 13 20.823 0.300 . . . . . A 616 VAL CG2 . 25750 1 208 . 1 1 26 26 VAL N N 15 119.974 0.300 . . . . . A 616 VAL N . 25750 1 209 . 1 1 27 27 ARG H H 1 7.942 0.020 . . . . . A 617 ARG H . 25750 1 210 . 1 1 27 27 ARG HG2 H 1 1.805 0.020 . . . . . A 617 ARG HG2 . 25750 1 211 . 1 1 27 27 ARG HG3 H 1 1.627 0.020 . . . . . A 617 ARG HG3 . 25750 1 212 . 1 1 27 27 ARG HE H 1 7.254 0.020 . . . . . A 617 ARG HE . 25750 1 213 . 1 1 27 27 ARG C C 13 176.463 0.300 . . . . . A 617 ARG C . 25750 1 214 . 1 1 27 27 ARG CA C 13 59.903 0.300 . . . . . A 617 ARG CA . 25750 1 215 . 1 1 27 27 ARG CB C 13 29.226 0.300 . . . . . A 617 ARG CB . 25750 1 216 . 1 1 27 27 ARG CG C 13 26.989 0.300 . . . . . A 617 ARG CG . 25750 1 217 . 1 1 27 27 ARG N N 15 120.178 0.300 . . . . . A 617 ARG N . 25750 1 218 . 1 1 28 28 GLU H H 1 8.206 0.020 . . . . . A 618 GLU H . 25750 1 219 . 1 1 28 28 GLU HG2 H 1 2.494 0.020 . . . . . A 618 GLU HG2 . 25750 1 220 . 1 1 28 28 GLU HG3 H 1 2.277 0.020 . . . . . A 618 GLU HG3 . 25750 1 221 . 1 1 28 28 GLU C C 13 176.091 0.300 . . . . . A 618 GLU C . 25750 1 222 . 1 1 28 28 GLU CA C 13 59.107 0.300 . . . . . A 618 GLU CA . 25750 1 223 . 1 1 28 28 GLU CB C 13 28.470 0.300 . . . . . A 618 GLU CB . 25750 1 224 . 1 1 28 28 GLU CG C 13 34.848 0.300 . . . . . A 618 GLU CG . 25750 1 225 . 1 1 28 28 GLU N N 15 120.055 0.300 . . . . . A 618 GLU N . 25750 1 226 . 1 1 29 29 LEU H H 1 8.339 0.020 . . . . . A 619 LEU H . 25750 1 227 . 1 1 29 29 LEU HD21 H 1 0.840 0.020 . . . . . A 619 LEU HD21 . 25750 1 228 . 1 1 29 29 LEU HD22 H 1 0.840 0.020 . . . . . A 619 LEU HD22 . 25750 1 229 . 1 1 29 29 LEU HD23 H 1 0.840 0.020 . . . . . A 619 LEU HD23 . 25750 1 230 . 1 1 29 29 LEU C C 13 175.412 0.300 . . . . . A 619 LEU C . 25750 1 231 . 1 1 29 29 LEU CA C 13 57.792 0.300 . . . . . A 619 LEU CA . 25750 1 232 . 1 1 29 29 LEU CB C 13 41.028 0.300 . . . . . A 619 LEU CB . 25750 1 233 . 1 1 29 29 LEU CD2 C 13 22.881 0.300 . . . . . A 619 LEU CD2 . 25750 1 234 . 1 1 29 29 LEU N N 15 119.596 0.300 . . . . . A 619 LEU N . 25750 1 235 . 1 1 30 30 ARG H H 1 8.405 0.020 . . . . . A 620 ARG H . 25750 1 236 . 1 1 30 30 ARG HG2 H 1 1.665 0.020 . . . . . A 620 ARG HG2 . 25750 1 237 . 1 1 30 30 ARG HG3 H 1 1.646 0.020 . . . . . A 620 ARG HG3 . 25750 1 238 . 1 1 30 30 ARG HE H 1 7.497 0.020 . . . . . A 620 ARG HE . 25750 1 239 . 1 1 30 30 ARG C C 13 175.160 0.300 . . . . . A 620 ARG C . 25750 1 240 . 1 1 30 30 ARG CA C 13 59.949 0.300 . . . . . A 620 ARG CA . 25750 1 241 . 1 1 30 30 ARG CB C 13 29.042 0.300 . . . . . A 620 ARG CB . 25750 1 242 . 1 1 30 30 ARG CG C 13 27.220 0.300 . . . . . A 620 ARG CG . 25750 1 243 . 1 1 30 30 ARG N N 15 118.253 0.300 . . . . . A 620 ARG N . 25750 1 244 . 1 1 31 31 SER H H 1 7.862 0.020 . . . . . A 621 SER H . 25750 1 245 . 1 1 31 31 SER HB2 H 1 4.089 0.020 . . . . . A 621 SER HB2 . 25750 1 246 . 1 1 31 31 SER HB3 H 1 4.089 0.020 . . . . . A 621 SER HB3 . 25750 1 247 . 1 1 31 31 SER C C 13 174.152 0.300 . . . . . A 621 SER C . 25750 1 248 . 1 1 31 31 SER CA C 13 61.594 0.300 . . . . . A 621 SER CA . 25750 1 249 . 1 1 31 31 SER CB C 13 62.577 0.300 . . . . . A 621 SER CB . 25750 1 250 . 1 1 31 31 SER N N 15 114.318 0.300 . . . . . A 621 SER N . 25750 1 251 . 1 1 32 32 ILE H H 1 8.331 0.020 . . . . . A 622 ILE H . 25750 1 252 . 1 1 32 32 ILE HG21 H 1 0.924 0.020 . . . . . A 622 ILE HG21 . 25750 1 253 . 1 1 32 32 ILE HG22 H 1 0.924 0.020 . . . . . A 622 ILE HG22 . 25750 1 254 . 1 1 32 32 ILE HG23 H 1 0.924 0.020 . . . . . A 622 ILE HG23 . 25750 1 255 . 1 1 32 32 ILE HD11 H 1 0.831 0.020 . . . . . A 622 ILE HD11 . 25750 1 256 . 1 1 32 32 ILE HD12 H 1 0.831 0.020 . . . . . A 622 ILE HD12 . 25750 1 257 . 1 1 32 32 ILE HD13 H 1 0.831 0.020 . . . . . A 622 ILE HD13 . 25750 1 258 . 1 1 32 32 ILE C C 13 175.893 0.300 . . . . . A 622 ILE C . 25750 1 259 . 1 1 32 32 ILE CA C 13 65.332 0.300 . . . . . A 622 ILE CA . 25750 1 260 . 1 1 32 32 ILE CB C 13 37.774 0.300 . . . . . A 622 ILE CB . 25750 1 261 . 1 1 32 32 ILE CG2 C 13 16.972 0.300 . . . . . A 622 ILE CG2 . 25750 1 262 . 1 1 32 32 ILE CD1 C 13 12.729 0.300 . . . . . A 622 ILE CD1 . 25750 1 263 . 1 1 32 32 ILE N N 15 123.691 0.300 . . . . . A 622 ILE N . 25750 1 264 . 1 1 33 33 ILE H H 1 8.351 0.020 . . . . . A 623 ILE H . 25750 1 265 . 1 1 33 33 ILE HG21 H 1 0.915 0.020 . . . . . A 623 ILE HG21 . 25750 1 266 . 1 1 33 33 ILE HG22 H 1 0.915 0.020 . . . . . A 623 ILE HG22 . 25750 1 267 . 1 1 33 33 ILE HG23 H 1 0.915 0.020 . . . . . A 623 ILE HG23 . 25750 1 268 . 1 1 33 33 ILE HD11 H 1 0.849 0.020 . . . . . A 623 ILE HD11 . 25750 1 269 . 1 1 33 33 ILE HD12 H 1 0.849 0.020 . . . . . A 623 ILE HD12 . 25750 1 270 . 1 1 33 33 ILE HD13 H 1 0.849 0.020 . . . . . A 623 ILE HD13 . 25750 1 271 . 1 1 33 33 ILE C C 13 174.404 0.300 . . . . . A 623 ILE C . 25750 1 272 . 1 1 33 33 ILE CA C 13 65.140 0.300 . . . . . A 623 ILE CA . 25750 1 273 . 1 1 33 33 ILE CB C 13 37.267 0.300 . . . . . A 623 ILE CB . 25750 1 274 . 1 1 33 33 ILE CG2 C 13 17.042 0.300 . . . . . A 623 ILE CG2 . 25750 1 275 . 1 1 33 33 ILE CD1 C 13 13.940 0.300 . . . . . A 623 ILE CD1 . 25750 1 276 . 1 1 33 33 ILE N N 15 121.094 0.300 . . . . . A 623 ILE N . 25750 1 277 . 1 1 34 34 GLU H H 1 8.251 0.020 . . . . . A 624 GLU H . 25750 1 278 . 1 1 34 34 GLU HG2 H 1 2.490 0.020 . . . . . A 624 GLU HG2 . 25750 1 279 . 1 1 34 34 GLU HG3 H 1 2.274 0.020 . . . . . A 624 GLU HG3 . 25750 1 280 . 1 1 34 34 GLU C C 13 176.485 0.300 . . . . . A 624 GLU C . 25750 1 281 . 1 1 34 34 GLU CA C 13 59.415 0.300 . . . . . A 624 GLU CA . 25750 1 282 . 1 1 34 34 GLU CB C 13 28.203 0.300 . . . . . A 624 GLU CB . 25750 1 283 . 1 1 34 34 GLU CG C 13 35.122 0.300 . . . . . A 624 GLU CG . 25750 1 284 . 1 1 34 34 GLU N N 15 119.352 0.300 . . . . . A 624 GLU N . 25750 1 285 . 1 1 35 35 THR H H 1 8.202 0.020 . . . . . A 625 THR H . 25750 1 286 . 1 1 35 35 THR HG21 H 1 1.281 0.020 . . . . . A 625 THR HG21 . 25750 1 287 . 1 1 35 35 THR HG22 H 1 1.281 0.020 . . . . . A 625 THR HG22 . 25750 1 288 . 1 1 35 35 THR HG23 H 1 1.281 0.020 . . . . . A 625 THR HG23 . 25750 1 289 . 1 1 35 35 THR C C 13 173.560 0.300 . . . . . A 625 THR C . 25750 1 290 . 1 1 35 35 THR CA C 13 66.507 0.300 . . . . . A 625 THR CA . 25750 1 291 . 1 1 35 35 THR CB C 13 68.259 0.300 . . . . . A 625 THR CB . 25750 1 292 . 1 1 35 35 THR CG2 C 13 21.046 0.300 . . . . . A 625 THR CG2 . 25750 1 293 . 1 1 35 35 THR N N 15 116.447 0.300 . . . . . A 625 THR N . 25750 1 294 . 1 1 36 36 MET H H 1 8.495 0.020 . . . . . A 626 MET H . 25750 1 295 . 1 1 36 36 MET HG2 H 1 2.642 0.020 . . . . . A 626 MET HG2 . 25750 1 296 . 1 1 36 36 MET HG3 H 1 2.642 0.020 . . . . . A 626 MET HG3 . 25750 1 297 . 1 1 36 36 MET HE1 H 1 2.035 0.020 . . . . . A 626 MET HE1 . 25750 1 298 . 1 1 36 36 MET HE2 H 1 2.035 0.020 . . . . . A 626 MET HE2 . 25750 1 299 . 1 1 36 36 MET HE3 H 1 2.035 0.020 . . . . . A 626 MET HE3 . 25750 1 300 . 1 1 36 36 MET C C 13 175.444 0.300 . . . . . A 626 MET C . 25750 1 301 . 1 1 36 36 MET CA C 13 59.415 0.300 . . . . . A 626 MET CA . 25750 1 302 . 1 1 36 36 MET CB C 13 32.915 0.300 . . . . . A 626 MET CB . 25750 1 303 . 1 1 36 36 MET CG C 13 31.003 0.300 . . . . . A 626 MET CG . 25750 1 304 . 1 1 36 36 MET CE C 13 15.976 0.300 . . . . . A 626 MET CE . 25750 1 305 . 1 1 36 36 MET N N 15 122.740 0.300 . . . . . A 626 MET N . 25750 1 306 . 1 1 37 37 LYS H H 1 8.580 0.020 . . . . . A 627 LYS H . 25750 1 307 . 1 1 37 37 LYS HB3 H 1 1.983 0.020 . . . . . A 627 LYS HB3 . 25750 1 308 . 1 1 37 37 LYS HG2 H 1 1.680 0.020 . . . . . A 627 LYS HG2 . 25750 1 309 . 1 1 37 37 LYS HG3 H 1 1.400 0.020 . . . . . A 627 LYS HG3 . 25750 1 310 . 1 1 37 37 LYS C C 13 176.080 0.300 . . . . . A 627 LYS C . 25750 1 311 . 1 1 37 37 LYS CA C 13 59.971 0.300 . . . . . A 627 LYS CA . 25750 1 312 . 1 1 37 37 LYS CB C 13 31.955 0.300 . . . . . A 627 LYS CB . 25750 1 313 . 1 1 37 37 LYS CG C 13 24.741 0.300 . . . . . A 627 LYS CG . 25750 1 314 . 1 1 37 37 LYS N N 15 120.543 0.300 . . . . . A 627 LYS N . 25750 1 315 . 1 1 38 38 ASP H H 1 7.762 0.020 . . . . . A 628 ASP H . 25750 1 316 . 1 1 38 38 ASP C C 13 175.236 0.300 . . . . . A 628 ASP C . 25750 1 317 . 1 1 38 38 ASP CA C 13 57.490 0.300 . . . . . A 628 ASP CA . 25750 1 318 . 1 1 38 38 ASP CB C 13 40.839 0.300 . . . . . A 628 ASP CB . 25750 1 319 . 1 1 38 38 ASP N N 15 119.427 0.300 . . . . . A 628 ASP N . 25750 1 320 . 1 1 39 39 GLN H H 1 8.456 0.020 . . . . . A 629 GLN H . 25750 1 321 . 1 1 39 39 GLN HG2 H 1 2.508 0.020 . . . . . A 629 GLN HG2 . 25750 1 322 . 1 1 39 39 GLN HG3 H 1 2.396 0.020 . . . . . A 629 GLN HG3 . 25750 1 323 . 1 1 39 39 GLN HE21 H 1 7.563 0.020 . . . . . A 629 GLN HE21 . 25750 1 324 . 1 1 39 39 GLN HE22 H 1 6.746 0.020 . . . . . A 629 GLN HE22 . 25750 1 325 . 1 1 39 39 GLN CA C 13 58.891 0.300 . . . . . A 629 GLN CA . 25750 1 326 . 1 1 39 39 GLN CB C 13 27.688 0.300 . . . . . A 629 GLN CB . 25750 1 327 . 1 1 39 39 GLN CG C 13 33.041 0.300 . . . . . A 629 GLN CG . 25750 1 328 . 1 1 39 39 GLN N N 15 119.617 0.300 . . . . . A 629 GLN N . 25750 1 329 . 1 1 39 39 GLN NE2 N 15 111.508 0.300 . . . . . A 629 GLN NE2 . 25750 1 330 . 1 1 40 40 GLN H H 1 8.548 0.020 . . . . . A 630 GLN H . 25750 1 331 . 1 1 40 40 GLN HE21 H 1 7.671 0.020 . . . . . A 630 GLN HE21 . 25750 1 332 . 1 1 40 40 GLN HE22 H 1 6.274 0.020 . . . . . A 630 GLN HE22 . 25750 1 333 . 1 1 40 40 GLN C C 13 174.973 0.300 . . . . . A 630 GLN C . 25750 1 334 . 1 1 40 40 GLN CA C 13 59.140 0.300 . . . . . A 630 GLN CA . 25750 1 335 . 1 1 40 40 GLN CB C 13 27.563 0.300 . . . . . A 630 GLN CB . 25750 1 336 . 1 1 40 40 GLN N N 15 119.192 0.300 . . . . . A 630 GLN N . 25750 1 337 . 1 1 40 40 GLN NE2 N 15 107.448 0.300 . . . . . A 630 GLN NE2 . 25750 1 338 . 1 1 41 41 LYS H H 1 7.722 0.020 . . . . . A 631 LYS H . 25750 1 339 . 1 1 41 41 LYS HB3 H 1 1.987 0.020 . . . . . A 631 LYS HB3 . 25750 1 340 . 1 1 41 41 LYS HG2 H 1 1.609 0.020 . . . . . A 631 LYS HG2 . 25750 1 341 . 1 1 41 41 LYS HG3 H 1 1.440 0.020 . . . . . A 631 LYS HG3 . 25750 1 342 . 1 1 41 41 LYS C C 13 176.222 0.300 . . . . . A 631 LYS C . 25750 1 343 . 1 1 41 41 LYS CA C 13 59.409 0.300 . . . . . A 631 LYS CA . 25750 1 344 . 1 1 41 41 LYS CB C 13 31.684 0.300 . . . . . A 631 LYS CB . 25750 1 345 . 1 1 41 41 LYS CG C 13 24.191 0.300 . . . . . A 631 LYS CG . 25750 1 346 . 1 1 41 41 LYS N N 15 118.024 0.300 . . . . . A 631 LYS N . 25750 1 347 . 1 1 42 42 ARG H H 1 7.773 0.020 . . . . . A 632 ARG H . 25750 1 348 . 1 1 42 42 ARG HG2 H 1 1.796 0.020 . . . . . A 632 ARG HG2 . 25750 1 349 . 1 1 42 42 ARG HG3 H 1 1.608 0.020 . . . . . A 632 ARG HG3 . 25750 1 350 . 1 1 42 42 ARG HE H 1 7.381 0.020 . . . . . A 632 ARG HE . 25750 1 351 . 1 1 42 42 ARG C C 13 176.156 0.300 . . . . . A 632 ARG C . 25750 1 352 . 1 1 42 42 ARG CA C 13 59.409 0.300 . . . . . A 632 ARG CA . 25750 1 353 . 1 1 42 42 ARG CB C 13 29.624 0.300 . . . . . A 632 ARG CB . 25750 1 354 . 1 1 42 42 ARG CG C 13 27.353 0.300 . . . . . A 632 ARG CG . 25750 1 355 . 1 1 42 42 ARG N N 15 118.369 0.300 . . . . . A 632 ARG N . 25750 1 356 . 1 1 43 43 GLU H H 1 8.391 0.020 . . . . . A 633 GLU H . 25750 1 357 . 1 1 43 43 GLU C C 13 175.883 0.300 . . . . . A 633 GLU C . 25750 1 358 . 1 1 43 43 GLU CA C 13 59.014 0.300 . . . . . A 633 GLU CA . 25750 1 359 . 1 1 43 43 GLU CB C 13 28.284 0.300 . . . . . A 633 GLU CB . 25750 1 360 . 1 1 43 43 GLU N N 15 119.542 0.300 . . . . . A 633 GLU N . 25750 1 361 . 1 1 44 44 ILE H H 1 8.363 0.020 . . . . . A 634 ILE H . 25750 1 362 . 1 1 44 44 ILE HG21 H 1 0.904 0.020 . . . . . A 634 ILE HG21 . 25750 1 363 . 1 1 44 44 ILE HG22 H 1 0.904 0.020 . . . . . A 634 ILE HG22 . 25750 1 364 . 1 1 44 44 ILE HG23 H 1 0.904 0.020 . . . . . A 634 ILE HG23 . 25750 1 365 . 1 1 44 44 ILE HD11 H 1 0.703 0.020 . . . . . A 634 ILE HD11 . 25750 1 366 . 1 1 44 44 ILE HD12 H 1 0.703 0.020 . . . . . A 634 ILE HD12 . 25750 1 367 . 1 1 44 44 ILE HD13 H 1 0.703 0.020 . . . . . A 634 ILE HD13 . 25750 1 368 . 1 1 44 44 ILE C C 13 174.437 0.300 . . . . . A 634 ILE C . 25750 1 369 . 1 1 44 44 ILE CA C 13 63.516 0.300 . . . . . A 634 ILE CA . 25750 1 370 . 1 1 44 44 ILE CB C 13 35.626 0.300 . . . . . A 634 ILE CB . 25750 1 371 . 1 1 44 44 ILE CG2 C 13 16.703 0.300 . . . . . A 634 ILE CG2 . 25750 1 372 . 1 1 44 44 ILE CD1 C 13 10.142 0.300 . . . . . A 634 ILE CD1 . 25750 1 373 . 1 1 44 44 ILE N N 15 119.324 0.300 . . . . . A 634 ILE N . 25750 1 374 . 1 1 45 45 LYS H H 1 7.844 0.020 . . . . . A 635 LYS H . 25750 1 375 . 1 1 45 45 LYS HB3 H 1 1.955 0.020 . . . . . A 635 LYS HB3 . 25750 1 376 . 1 1 45 45 LYS HG2 H 1 1.543 0.020 . . . . . A 635 LYS HG2 . 25750 1 377 . 1 1 45 45 LYS HG3 H 1 1.433 0.020 . . . . . A 635 LYS HG3 . 25750 1 378 . 1 1 45 45 LYS C C 13 176.397 0.300 . . . . . A 635 LYS C . 25750 1 379 . 1 1 45 45 LYS CA C 13 59.858 0.300 . . . . . A 635 LYS CA . 25750 1 380 . 1 1 45 45 LYS CB C 13 31.484 0.300 . . . . . A 635 LYS CB . 25750 1 381 . 1 1 45 45 LYS CG C 13 24.326 0.300 . . . . . A 635 LYS CG . 25750 1 382 . 1 1 45 45 LYS N N 15 119.273 0.300 . . . . . A 635 LYS N . 25750 1 383 . 1 1 46 46 GLN H H 1 7.894 0.020 . . . . . A 636 GLN H . 25750 1 384 . 1 1 46 46 GLN HE21 H 1 7.435 0.020 . . . . . A 636 GLN HE21 . 25750 1 385 . 1 1 46 46 GLN HE22 H 1 6.816 0.020 . . . . . A 636 GLN HE22 . 25750 1 386 . 1 1 46 46 GLN C C 13 175.532 0.300 . . . . . A 636 GLN C . 25750 1 387 . 1 1 46 46 GLN CA C 13 58.878 0.300 . . . . . A 636 GLN CA . 25750 1 388 . 1 1 46 46 GLN CB C 13 27.688 0.300 . . . . . A 636 GLN CB . 25750 1 389 . 1 1 46 46 GLN N N 15 119.213 0.300 . . . . . A 636 GLN N . 25750 1 390 . 1 1 46 46 GLN NE2 N 15 111.160 0.300 . . . . . A 636 GLN NE2 . 25750 1 391 . 1 1 47 47 LEU H H 1 8.093 0.020 . . . . . A 637 LEU H . 25750 1 392 . 1 1 47 47 LEU HD11 H 1 0.886 0.020 . . . . . A 637 LEU HD11 . 25750 1 393 . 1 1 47 47 LEU HD12 H 1 0.886 0.020 . . . . . A 637 LEU HD12 . 25750 1 394 . 1 1 47 47 LEU HD13 H 1 0.886 0.020 . . . . . A 637 LEU HD13 . 25750 1 395 . 1 1 47 47 LEU HD21 H 1 0.840 0.020 . . . . . A 637 LEU HD21 . 25750 1 396 . 1 1 47 47 LEU HD22 H 1 0.840 0.020 . . . . . A 637 LEU HD22 . 25750 1 397 . 1 1 47 47 LEU HD23 H 1 0.840 0.020 . . . . . A 637 LEU HD23 . 25750 1 398 . 1 1 47 47 LEU C C 13 175.937 0.300 . . . . . A 637 LEU C . 25750 1 399 . 1 1 47 47 LEU CA C 13 58.486 0.300 . . . . . A 637 LEU CA . 25750 1 400 . 1 1 47 47 LEU CB C 13 41.412 0.300 . . . . . A 637 LEU CB . 25750 1 401 . 1 1 47 47 LEU CD1 C 13 25.293 0.300 . . . . . A 637 LEU CD1 . 25750 1 402 . 1 1 47 47 LEU CD2 C 13 23.501 0.300 . . . . . A 637 LEU CD2 . 25750 1 403 . 1 1 47 47 LEU N N 15 121.234 0.300 . . . . . A 637 LEU N . 25750 1 404 . 1 1 48 48 LEU H H 1 8.795 0.020 . . . . . A 638 LEU H . 25750 1 405 . 1 1 48 48 LEU HD11 H 1 0.859 0.020 . . . . . A 638 LEU HD11 . 25750 1 406 . 1 1 48 48 LEU HD12 H 1 0.859 0.020 . . . . . A 638 LEU HD12 . 25750 1 407 . 1 1 48 48 LEU HD13 H 1 0.859 0.020 . . . . . A 638 LEU HD13 . 25750 1 408 . 1 1 48 48 LEU HD21 H 1 0.853 0.020 . . . . . A 638 LEU HD21 . 25750 1 409 . 1 1 48 48 LEU HD22 H 1 0.853 0.020 . . . . . A 638 LEU HD22 . 25750 1 410 . 1 1 48 48 LEU HD23 H 1 0.853 0.020 . . . . . A 638 LEU HD23 . 25750 1 411 . 1 1 48 48 LEU C C 13 176.912 0.300 . . . . . A 638 LEU C . 25750 1 412 . 1 1 48 48 LEU CA C 13 58.051 0.300 . . . . . A 638 LEU CA . 25750 1 413 . 1 1 48 48 LEU CB C 13 40.846 0.300 . . . . . A 638 LEU CB . 25750 1 414 . 1 1 48 48 LEU CD1 C 13 24.677 0.300 . . . . . A 638 LEU CD1 . 25750 1 415 . 1 1 48 48 LEU CD2 C 13 22.679 0.300 . . . . . A 638 LEU CD2 . 25750 1 416 . 1 1 48 48 LEU N N 15 118.970 0.300 . . . . . A 638 LEU N . 25750 1 417 . 1 1 49 49 SER H H 1 8.145 0.020 . . . . . A 639 SER H . 25750 1 418 . 1 1 49 49 SER HB2 H 1 4.087 0.020 . . . . . A 639 SER HB2 . 25750 1 419 . 1 1 49 49 SER HB3 H 1 4.087 0.020 . . . . . A 639 SER HB3 . 25750 1 420 . 1 1 49 49 SER C C 13 174.130 0.300 . . . . . A 639 SER C . 25750 1 421 . 1 1 49 49 SER CA C 13 61.609 0.300 . . . . . A 639 SER CA . 25750 1 422 . 1 1 49 49 SER CB C 13 62.457 0.300 . . . . . A 639 SER CB . 25750 1 423 . 1 1 49 49 SER N N 15 115.296 0.300 . . . . . A 639 SER N . 25750 1 424 . 1 1 50 50 GLU H H 1 8.123 0.020 . . . . . A 640 GLU H . 25750 1 425 . 1 1 50 50 GLU C C 13 176.529 0.300 . . . . . A 640 GLU C . 25750 1 426 . 1 1 50 50 GLU CA C 13 59.157 0.300 . . . . . A 640 GLU CA . 25750 1 427 . 1 1 50 50 GLU CB C 13 28.003 0.300 . . . . . A 640 GLU CB . 25750 1 428 . 1 1 50 50 GLU N N 15 122.437 0.300 . . . . . A 640 GLU N . 25750 1 429 . 1 1 51 51 LEU H H 1 8.663 0.020 . . . . . A 641 LEU H . 25750 1 430 . 1 1 51 51 LEU HD11 H 1 0.858 0.020 . . . . . A 641 LEU HD11 . 25750 1 431 . 1 1 51 51 LEU HD12 H 1 0.858 0.020 . . . . . A 641 LEU HD12 . 25750 1 432 . 1 1 51 51 LEU HD13 H 1 0.858 0.020 . . . . . A 641 LEU HD13 . 25750 1 433 . 1 1 51 51 LEU C C 13 175.718 0.300 . . . . . A 641 LEU C . 25750 1 434 . 1 1 51 51 LEU CA C 13 58.037 0.300 . . . . . A 641 LEU CA . 25750 1 435 . 1 1 51 51 LEU CB C 13 40.591 0.300 . . . . . A 641 LEU CB . 25750 1 436 . 1 1 51 51 LEU CD1 C 13 24.534 0.300 . . . . . A 641 LEU CD1 . 25750 1 437 . 1 1 51 51 LEU N N 15 121.845 0.300 . . . . . A 641 LEU N . 25750 1 438 . 1 1 52 52 ASP H H 1 8.527 0.020 . . . . . A 642 ASP H . 25750 1 439 . 1 1 52 52 ASP C C 13 175.587 0.300 . . . . . A 642 ASP C . 25750 1 440 . 1 1 52 52 ASP CA C 13 57.772 0.300 . . . . . A 642 ASP CA . 25750 1 441 . 1 1 52 52 ASP CB C 13 40.312 0.300 . . . . . A 642 ASP CB . 25750 1 442 . 1 1 52 52 ASP N N 15 120.749 0.300 . . . . . A 642 ASP N . 25750 1 443 . 1 1 53 53 GLU H H 1 8.035 0.020 . . . . . A 643 GLU H . 25750 1 444 . 1 1 53 53 GLU HG3 H 1 2.405 0.020 . . . . . A 643 GLU HG3 . 25750 1 445 . 1 1 53 53 GLU C C 13 175.619 0.300 . . . . . A 643 GLU C . 25750 1 446 . 1 1 53 53 GLU CA C 13 58.956 0.300 . . . . . A 643 GLU CA . 25750 1 447 . 1 1 53 53 GLU CB C 13 28.236 0.300 . . . . . A 643 GLU CB . 25750 1 448 . 1 1 53 53 GLU CG C 13 34.506 0.300 . . . . . A 643 GLU CG . 25750 1 449 . 1 1 53 53 GLU N N 15 119.649 0.300 . . . . . A 643 GLU N . 25750 1 450 . 1 1 54 54 GLU H H 1 8.024 0.020 . . . . . A 644 GLU H . 25750 1 451 . 1 1 54 54 GLU C C 13 176.102 0.300 . . . . . A 644 GLU C . 25750 1 452 . 1 1 54 54 GLU CA C 13 58.867 0.300 . . . . . A 644 GLU CA . 25750 1 453 . 1 1 54 54 GLU CB C 13 27.909 0.300 . . . . . A 644 GLU CB . 25750 1 454 . 1 1 54 54 GLU N N 15 118.804 0.300 . . . . . A 644 GLU N . 25750 1 455 . 1 1 55 55 LYS H H 1 7.889 0.020 . . . . . A 645 LYS H . 25750 1 456 . 1 1 55 55 LYS HG2 H 1 1.628 0.020 . . . . . A 645 LYS HG2 . 25750 1 457 . 1 1 55 55 LYS HG3 H 1 1.379 0.020 . . . . . A 645 LYS HG3 . 25750 1 458 . 1 1 55 55 LYS C C 13 176.848 0.300 . . . . . A 645 LYS C . 25750 1 459 . 1 1 55 55 LYS CA C 13 60.234 0.300 . . . . . A 645 LYS CA . 25750 1 460 . 1 1 55 55 LYS CB C 13 31.593 0.300 . . . . . A 645 LYS CB . 25750 1 461 . 1 1 55 55 LYS CG C 13 24.994 0.300 . . . . . A 645 LYS CG . 25750 1 462 . 1 1 55 55 LYS N N 15 118.824 0.300 . . . . . A 645 LYS N . 25750 1 463 . 1 1 56 56 LYS H H 1 8.042 0.020 . . . . . A 646 LYS H . 25750 1 464 . 1 1 56 56 LYS C C 13 176.933 0.300 . . . . . A 646 LYS C . 25750 1 465 . 1 1 56 56 LYS CA C 13 60.264 0.300 . . . . . A 646 LYS CA . 25750 1 466 . 1 1 56 56 LYS CB C 13 31.437 0.300 . . . . . A 646 LYS CB . 25750 1 467 . 1 1 56 56 LYS N N 15 119.745 0.300 . . . . . A 646 LYS N . 25750 1 468 . 1 1 57 57 ILE H H 1 8.038 0.020 . . . . . A 647 ILE H . 25750 1 469 . 1 1 57 57 ILE HG21 H 1 0.849 0.020 . . . . . A 647 ILE HG21 . 25750 1 470 . 1 1 57 57 ILE HG22 H 1 0.849 0.020 . . . . . A 647 ILE HG22 . 25750 1 471 . 1 1 57 57 ILE HG23 H 1 0.849 0.020 . . . . . A 647 ILE HG23 . 25750 1 472 . 1 1 57 57 ILE HD11 H 1 0.814 0.020 . . . . . A 647 ILE HD11 . 25750 1 473 . 1 1 57 57 ILE HD12 H 1 0.814 0.020 . . . . . A 647 ILE HD12 . 25750 1 474 . 1 1 57 57 ILE HD13 H 1 0.814 0.020 . . . . . A 647 ILE HD13 . 25750 1 475 . 1 1 57 57 ILE C C 13 175.433 0.300 . . . . . A 647 ILE C . 25750 1 476 . 1 1 57 57 ILE CA C 13 64.886 0.300 . . . . . A 647 ILE CA . 25750 1 477 . 1 1 57 57 ILE CB C 13 37.714 0.300 . . . . . A 647 ILE CB . 25750 1 478 . 1 1 57 57 ILE CG2 C 13 16.815 0.300 . . . . . A 647 ILE CG2 . 25750 1 479 . 1 1 57 57 ILE CD1 C 13 12.613 0.300 . . . . . A 647 ILE CD1 . 25750 1 480 . 1 1 57 57 ILE N N 15 119.713 0.300 . . . . . A 647 ILE N . 25750 1 481 . 1 1 58 58 ARG H H 1 8.121 0.020 . . . . . A 648 ARG H . 25750 1 482 . 1 1 58 58 ARG HE H 1 7.457 0.020 . . . . . A 648 ARG HE . 25750 1 483 . 1 1 58 58 ARG C C 13 174.721 0.300 . . . . . A 648 ARG C . 25750 1 484 . 1 1 58 58 ARG CA C 13 60.218 0.300 . . . . . A 648 ARG CA . 25750 1 485 . 1 1 58 58 ARG N N 15 120.784 0.300 . . . . . A 648 ARG N . 25750 1 486 . 1 1 59 59 LEU H H 1 8.613 0.020 . . . . . A 649 LEU H . 25750 1 487 . 1 1 59 59 LEU HD11 H 1 0.877 0.020 . . . . . A 649 LEU HD11 . 25750 1 488 . 1 1 59 59 LEU HD12 H 1 0.877 0.020 . . . . . A 649 LEU HD12 . 25750 1 489 . 1 1 59 59 LEU HD13 H 1 0.877 0.020 . . . . . A 649 LEU HD13 . 25750 1 490 . 1 1 59 59 LEU HD21 H 1 0.871 0.020 . . . . . A 649 LEU HD21 . 25750 1 491 . 1 1 59 59 LEU HD22 H 1 0.871 0.020 . . . . . A 649 LEU HD22 . 25750 1 492 . 1 1 59 59 LEU HD23 H 1 0.871 0.020 . . . . . A 649 LEU HD23 . 25750 1 493 . 1 1 59 59 LEU C C 13 176.573 0.300 . . . . . A 649 LEU C . 25750 1 494 . 1 1 59 59 LEU CA C 13 58.047 0.300 . . . . . A 649 LEU CA . 25750 1 495 . 1 1 59 59 LEU CB C 13 40.730 0.300 . . . . . A 649 LEU CB . 25750 1 496 . 1 1 59 59 LEU CD1 C 13 24.120 0.300 . . . . . A 649 LEU CD1 . 25750 1 497 . 1 1 59 59 LEU CD2 C 13 24.054 0.300 . . . . . A 649 LEU CD2 . 25750 1 498 . 1 1 59 59 LEU N N 15 121.582 0.300 . . . . . A 649 LEU N . 25750 1 499 . 1 1 60 60 ARG H H 1 7.644 0.020 . . . . . A 650 ARG H . 25750 1 500 . 1 1 60 60 ARG HG2 H 1 1.786 0.020 . . . . . A 650 ARG HG2 . 25750 1 501 . 1 1 60 60 ARG HG3 H 1 1.659 0.020 . . . . . A 650 ARG HG3 . 25750 1 502 . 1 1 60 60 ARG HE H 1 7.257 0.020 . . . . . A 650 ARG HE . 25750 1 503 . 1 1 60 60 ARG C C 13 175.992 0.300 . . . . . A 650 ARG C . 25750 1 504 . 1 1 60 60 ARG CA C 13 59.145 0.300 . . . . . A 650 ARG CA . 25750 1 505 . 1 1 60 60 ARG CB C 13 28.829 0.300 . . . . . A 650 ARG CB . 25750 1 506 . 1 1 60 60 ARG CG C 13 26.596 0.300 . . . . . A 650 ARG CG . 25750 1 507 . 1 1 60 60 ARG N N 15 119.686 0.300 . . . . . A 650 ARG N . 25750 1 508 . 1 1 61 61 LEU H H 1 8.175 0.020 . . . . . A 651 LEU H . 25750 1 509 . 1 1 61 61 LEU HD11 H 1 0.805 0.020 . . . . . A 651 LEU HD11 . 25750 1 510 . 1 1 61 61 LEU HD12 H 1 0.805 0.020 . . . . . A 651 LEU HD12 . 25750 1 511 . 1 1 61 61 LEU HD13 H 1 0.805 0.020 . . . . . A 651 LEU HD13 . 25750 1 512 . 1 1 61 61 LEU HD21 H 1 0.858 0.020 . . . . . A 651 LEU HD21 . 25750 1 513 . 1 1 61 61 LEU HD22 H 1 0.858 0.020 . . . . . A 651 LEU HD22 . 25750 1 514 . 1 1 61 61 LEU HD23 H 1 0.858 0.020 . . . . . A 651 LEU HD23 . 25750 1 515 . 1 1 61 61 LEU C C 13 175.433 0.300 . . . . . A 651 LEU C . 25750 1 516 . 1 1 61 61 LEU CA C 13 57.772 0.300 . . . . . A 651 LEU CA . 25750 1 517 . 1 1 61 61 LEU CB C 13 41.644 0.300 . . . . . A 651 LEU CB . 25750 1 518 . 1 1 61 61 LEU CD1 C 13 24.120 0.300 . . . . . A 651 LEU CD1 . 25750 1 519 . 1 1 61 61 LEU CD2 C 13 23.985 0.300 . . . . . A 651 LEU CD2 . 25750 1 520 . 1 1 61 61 LEU N N 15 121.140 0.300 . . . . . A 651 LEU N . 25750 1 521 . 1 1 62 62 GLN H H 1 8.686 0.020 . . . . . A 652 GLN H . 25750 1 522 . 1 1 62 62 GLN HG3 H 1 2.377 0.020 . . . . . A 652 GLN HG3 . 25750 1 523 . 1 1 62 62 GLN HE21 H 1 7.467 0.020 . . . . . A 652 GLN HE21 . 25750 1 524 . 1 1 62 62 GLN HE22 H 1 7.056 0.020 . . . . . A 652 GLN HE22 . 25750 1 525 . 1 1 62 62 GLN C C 13 175.160 0.300 . . . . . A 652 GLN C . 25750 1 526 . 1 1 62 62 GLN CA C 13 59.020 0.300 . . . . . A 652 GLN CA . 25750 1 527 . 1 1 62 62 GLN CB C 13 28.517 0.300 . . . . . A 652 GLN CB . 25750 1 528 . 1 1 62 62 GLN CG C 13 33.193 0.300 . . . . . A 652 GLN CG . 25750 1 529 . 1 1 62 62 GLN N N 15 118.409 0.300 . . . . . A 652 GLN N . 25750 1 530 . 1 1 62 62 GLN NE2 N 15 113.333 0.300 . . . . . A 652 GLN NE2 . 25750 1 531 . 1 1 63 63 MET H H 1 7.883 0.020 . . . . . A 653 MET H . 25750 1 532 . 1 1 63 63 MET HG2 H 1 2.626 0.020 . . . . . A 653 MET HG2 . 25750 1 533 . 1 1 63 63 MET HG3 H 1 2.626 0.020 . . . . . A 653 MET HG3 . 25750 1 534 . 1 1 63 63 MET HE1 H 1 2.096 0.020 . . . . . A 653 MET HE1 . 25750 1 535 . 1 1 63 63 MET HE2 H 1 2.096 0.020 . . . . . A 653 MET HE2 . 25750 1 536 . 1 1 63 63 MET HE3 H 1 2.096 0.020 . . . . . A 653 MET HE3 . 25750 1 537 . 1 1 63 63 MET C C 13 175.247 0.300 . . . . . A 653 MET C . 25750 1 538 . 1 1 63 63 MET CA C 13 60.242 0.300 . . . . . A 653 MET CA . 25750 1 539 . 1 1 63 63 MET CB C 13 31.589 0.300 . . . . . A 653 MET CB . 25750 1 540 . 1 1 63 63 MET CG C 13 31.274 0.300 . . . . . A 653 MET CG . 25750 1 541 . 1 1 63 63 MET CE C 13 16.552 0.300 . . . . . A 653 MET CE . 25750 1 542 . 1 1 63 63 MET N N 15 118.707 0.300 . . . . . A 653 MET N . 25750 1 543 . 1 1 64 64 GLU H H 1 8.080 0.020 . . . . . A 654 GLU H . 25750 1 544 . 1 1 64 64 GLU HG3 H 1 2.273 0.020 . . . . . A 654 GLU HG3 . 25750 1 545 . 1 1 64 64 GLU C C 13 176.277 0.300 . . . . . A 654 GLU C . 25750 1 546 . 1 1 64 64 GLU CA C 13 59.145 0.300 . . . . . A 654 GLU CA . 25750 1 547 . 1 1 64 64 GLU CB C 13 28.818 0.300 . . . . . A 654 GLU CB . 25750 1 548 . 1 1 64 64 GLU CG C 13 34.639 0.300 . . . . . A 654 GLU CG . 25750 1 549 . 1 1 64 64 GLU N N 15 119.578 0.300 . . . . . A 654 GLU N . 25750 1 550 . 1 1 65 65 VAL H H 1 8.620 0.020 . . . . . A 655 VAL H . 25750 1 551 . 1 1 65 65 VAL HG11 H 1 0.898 0.020 . . . . . A 655 VAL HG11 . 25750 1 552 . 1 1 65 65 VAL HG12 H 1 0.898 0.020 . . . . . A 655 VAL HG12 . 25750 1 553 . 1 1 65 65 VAL HG13 H 1 0.898 0.020 . . . . . A 655 VAL HG13 . 25750 1 554 . 1 1 65 65 VAL HG21 H 1 0.811 0.020 . . . . . A 655 VAL HG21 . 25750 1 555 . 1 1 65 65 VAL HG22 H 1 0.811 0.020 . . . . . A 655 VAL HG22 . 25750 1 556 . 1 1 65 65 VAL HG23 H 1 0.811 0.020 . . . . . A 655 VAL HG23 . 25750 1 557 . 1 1 65 65 VAL C C 13 174.218 0.300 . . . . . A 655 VAL C . 25750 1 558 . 1 1 65 65 VAL CA C 13 67.083 0.300 . . . . . A 655 VAL CA . 25750 1 559 . 1 1 65 65 VAL CB C 13 30.702 0.300 . . . . . A 655 VAL CB . 25750 1 560 . 1 1 65 65 VAL CG1 C 13 23.779 0.300 . . . . . A 655 VAL CG1 . 25750 1 561 . 1 1 65 65 VAL CG2 C 13 20.550 0.300 . . . . . A 655 VAL CG2 . 25750 1 562 . 1 1 65 65 VAL N N 15 119.714 0.300 . . . . . A 655 VAL N . 25750 1 563 . 1 1 66 66 ASN H H 1 8.353 0.020 . . . . . A 656 ASN H . 25750 1 564 . 1 1 66 66 ASN HD21 H 1 7.682 0.020 . . . . . A 656 ASN HD21 . 25750 1 565 . 1 1 66 66 ASN HD22 H 1 7.007 0.020 . . . . . A 656 ASN HD22 . 25750 1 566 . 1 1 66 66 ASN CA C 13 56.151 0.300 . . . . . A 656 ASN CA . 25750 1 567 . 1 1 66 66 ASN CB C 13 37.274 0.300 . . . . . A 656 ASN CB . 25750 1 568 . 1 1 66 66 ASN N N 15 119.340 0.300 . . . . . A 656 ASN N . 25750 1 569 . 1 1 66 66 ASN ND2 N 15 111.533 0.300 . . . . . A 656 ASN ND2 . 25750 1 570 . 1 1 67 67 ASP H H 1 8.103 0.020 . . . . . A 657 ASP H . 25750 1 571 . 1 1 67 67 ASP C C 13 176.091 0.300 . . . . . A 657 ASP C . 25750 1 572 . 1 1 67 67 ASP CA C 13 57.510 0.300 . . . . . A 657 ASP CA . 25750 1 573 . 1 1 67 67 ASP CB C 13 39.460 0.300 . . . . . A 657 ASP CB . 25750 1 574 . 1 1 67 67 ASP N N 15 121.097 0.300 . . . . . A 657 ASP N . 25750 1 575 . 1 1 68 68 ILE H H 1 8.099 0.020 . . . . . A 658 ILE H . 25750 1 576 . 1 1 68 68 ILE HG21 H 1 0.873 0.020 . . . . . A 658 ILE HG21 . 25750 1 577 . 1 1 68 68 ILE HG22 H 1 0.873 0.020 . . . . . A 658 ILE HG22 . 25750 1 578 . 1 1 68 68 ILE HG23 H 1 0.873 0.020 . . . . . A 658 ILE HG23 . 25750 1 579 . 1 1 68 68 ILE HD11 H 1 0.812 0.020 . . . . . A 658 ILE HD11 . 25750 1 580 . 1 1 68 68 ILE HD12 H 1 0.812 0.020 . . . . . A 658 ILE HD12 . 25750 1 581 . 1 1 68 68 ILE HD13 H 1 0.812 0.020 . . . . . A 658 ILE HD13 . 25750 1 582 . 1 1 68 68 ILE C C 13 174.218 0.300 . . . . . A 658 ILE C . 25750 1 583 . 1 1 68 68 ILE CA C 13 65.171 0.300 . . . . . A 658 ILE CA . 25750 1 584 . 1 1 68 68 ILE CB C 13 37.547 0.300 . . . . . A 658 ILE CB . 25750 1 585 . 1 1 68 68 ILE CG2 C 13 17.659 0.300 . . . . . A 658 ILE CG2 . 25750 1 586 . 1 1 68 68 ILE CD1 C 13 13.738 0.300 . . . . . A 658 ILE CD1 . 25750 1 587 . 1 1 68 68 ILE N N 15 122.946 0.300 . . . . . A 658 ILE N . 25750 1 588 . 1 1 69 69 LYS H H 1 8.428 0.020 . . . . . A 659 LYS H . 25750 1 589 . 1 1 69 69 LYS HB3 H 1 1.886 0.020 . . . . . A 659 LYS HB3 . 25750 1 590 . 1 1 69 69 LYS HG2 H 1 1.624 0.020 . . . . . A 659 LYS HG2 . 25750 1 591 . 1 1 69 69 LYS HG3 H 1 1.356 0.020 . . . . . A 659 LYS HG3 . 25750 1 592 . 1 1 69 69 LYS C C 13 176.255 0.300 . . . . . A 659 LYS C . 25750 1 593 . 1 1 69 69 LYS CA C 13 60.204 0.300 . . . . . A 659 LYS CA . 25750 1 594 . 1 1 69 69 LYS CB C 13 31.486 0.300 . . . . . A 659 LYS CB . 25750 1 595 . 1 1 69 69 LYS CG C 13 24.856 0.300 . . . . . A 659 LYS CG . 25750 1 596 . 1 1 69 69 LYS N N 15 118.621 0.300 . . . . . A 659 LYS N . 25750 1 597 . 1 1 70 70 LYS H H 1 7.809 0.020 . . . . . A 660 LYS H . 25750 1 598 . 1 1 70 70 LYS HB3 H 1 1.918 0.020 . . . . . A 660 LYS HB3 . 25750 1 599 . 1 1 70 70 LYS HG2 H 1 1.543 0.020 . . . . . A 660 LYS HG2 . 25750 1 600 . 1 1 70 70 LYS HG3 H 1 1.543 0.020 . . . . . A 660 LYS HG3 . 25750 1 601 . 1 1 70 70 LYS C C 13 175.806 0.300 . . . . . A 660 LYS C . 25750 1 602 . 1 1 70 70 LYS CA C 13 58.869 0.300 . . . . . A 660 LYS CA . 25750 1 603 . 1 1 70 70 LYS CB C 13 31.618 0.300 . . . . . A 660 LYS CB . 25750 1 604 . 1 1 70 70 LYS CG C 13 24.192 0.300 . . . . . A 660 LYS CG . 25750 1 605 . 1 1 70 70 LYS N N 15 117.734 0.300 . . . . . A 660 LYS N . 25750 1 606 . 1 1 71 71 ALA H H 1 7.758 0.020 . . . . . A 661 ALA H . 25750 1 607 . 1 1 71 71 ALA HB1 H 1 1.533 0.020 . . . . . A 661 ALA HB1 . 25750 1 608 . 1 1 71 71 ALA HB2 H 1 1.533 0.020 . . . . . A 661 ALA HB2 . 25750 1 609 . 1 1 71 71 ALA HB3 H 1 1.533 0.020 . . . . . A 661 ALA HB3 . 25750 1 610 . 1 1 71 71 ALA C C 13 176.744 0.300 . . . . . A 661 ALA C . 25750 1 611 . 1 1 71 71 ALA CA C 13 54.060 0.300 . . . . . A 661 ALA CA . 25750 1 612 . 1 1 71 71 ALA CB C 13 17.727 0.300 . . . . . A 661 ALA CB . 25750 1 613 . 1 1 71 71 ALA N N 15 122.152 0.300 . . . . . A 661 ALA N . 25750 1 614 . 1 1 72 72 LEU H H 1 7.898 0.020 . . . . . A 662 LEU H . 25750 1 615 . 1 1 72 72 LEU HD11 H 1 0.834 0.020 . . . . . A 662 LEU HD11 . 25750 1 616 . 1 1 72 72 LEU HD12 H 1 0.834 0.020 . . . . . A 662 LEU HD12 . 25750 1 617 . 1 1 72 72 LEU HD13 H 1 0.834 0.020 . . . . . A 662 LEU HD13 . 25750 1 618 . 1 1 72 72 LEU HD21 H 1 0.821 0.020 . . . . . A 662 LEU HD21 . 25750 1 619 . 1 1 72 72 LEU HD22 H 1 0.821 0.020 . . . . . A 662 LEU HD22 . 25750 1 620 . 1 1 72 72 LEU HD23 H 1 0.821 0.020 . . . . . A 662 LEU HD23 . 25750 1 621 . 1 1 72 72 LEU C C 13 174.864 0.300 . . . . . A 662 LEU C . 25750 1 622 . 1 1 72 72 LEU CA C 13 56.138 0.300 . . . . . A 662 LEU CA . 25750 1 623 . 1 1 72 72 LEU CB C 13 41.646 0.300 . . . . . A 662 LEU CB . 25750 1 624 . 1 1 72 72 LEU CD1 C 13 25.154 0.300 . . . . . A 662 LEU CD1 . 25750 1 625 . 1 1 72 72 LEU CD2 C 13 22.747 0.300 . . . . . A 662 LEU CD2 . 25750 1 626 . 1 1 72 72 LEU N N 15 117.559 0.300 . . . . . A 662 LEU N . 25750 1 627 . 1 1 73 73 GLN H H 1 7.711 0.020 . . . . . A 663 GLN H . 25750 1 628 . 1 1 73 73 GLN HB3 H 1 2.121 0.020 . . . . . A 663 GLN HB3 . 25750 1 629 . 1 1 73 73 GLN HG2 H 1 2.508 0.020 . . . . . A 663 GLN HG2 . 25750 1 630 . 1 1 73 73 GLN HG3 H 1 2.431 0.020 . . . . . A 663 GLN HG3 . 25750 1 631 . 1 1 73 73 GLN HE21 H 1 7.485 0.020 . . . . . A 663 GLN HE21 . 25750 1 632 . 1 1 73 73 GLN HE22 H 1 6.822 0.020 . . . . . A 663 GLN HE22 . 25750 1 633 . 1 1 73 73 GLN C C 13 173.002 0.300 . . . . . A 663 GLN C . 25750 1 634 . 1 1 73 73 GLN CA C 13 56.399 0.300 . . . . . A 663 GLN CA . 25750 1 635 . 1 1 73 73 GLN CB C 13 28.458 0.300 . . . . . A 663 GLN CB . 25750 1 636 . 1 1 73 73 GLN CG C 13 33.404 0.300 . . . . . A 663 GLN CG . 25750 1 637 . 1 1 73 73 GLN N N 15 117.521 0.300 . . . . . A 663 GLN N . 25750 1 638 . 1 1 73 73 GLN NE2 N 15 111.531 0.300 . . . . . A 663 GLN NE2 . 25750 1 639 . 1 1 74 74 SER H H 1 7.891 0.020 . . . . . A 664 SER H . 25750 1 640 . 1 1 74 74 SER HB2 H 1 3.932 0.020 . . . . . A 664 SER HB2 . 25750 1 641 . 1 1 74 74 SER HB3 H 1 3.932 0.020 . . . . . A 664 SER HB3 . 25750 1 642 . 1 1 74 74 SER C C 13 170.285 0.300 . . . . . A 664 SER C . 25750 1 643 . 1 1 74 74 SER CA C 13 58.598 0.300 . . . . . A 664 SER CA . 25750 1 644 . 1 1 74 74 SER CB C 13 63.777 0.300 . . . . . A 664 SER CB . 25750 1 645 . 1 1 74 74 SER N N 15 115.466 0.300 . . . . . A 664 SER N . 25750 1 646 . 1 1 75 75 LYS H H 1 7.805 0.020 . . . . . A 665 LYS H . 25750 1 647 . 1 1 75 75 LYS HB2 H 1 1.833 0.020 . . . . . A 665 LYS HB2 . 25750 1 648 . 1 1 75 75 LYS HB3 H 1 1.728 0.020 . . . . . A 665 LYS HB3 . 25750 1 649 . 1 1 75 75 LYS HG2 H 1 1.402 0.020 . . . . . A 665 LYS HG2 . 25750 1 650 . 1 1 75 75 LYS HG3 H 1 1.264 0.020 . . . . . A 665 LYS HG3 . 25750 1 651 . 1 1 75 75 LYS HD2 H 1 1.739 0.020 . . . . . A 665 LYS HD2 . 25750 1 652 . 1 1 75 75 LYS HD3 H 1 1.739 0.020 . . . . . A 665 LYS HD3 . 25750 1 653 . 1 1 75 75 LYS C C 13 177.690 0.300 . . . . . A 665 LYS C . 25750 1 654 . 1 1 75 75 LYS CA C 13 57.494 0.300 . . . . . A 665 LYS CA . 25750 1 655 . 1 1 75 75 LYS CB C 13 32.885 0.300 . . . . . A 665 LYS CB . 25750 1 656 . 1 1 75 75 LYS CG C 13 23.848 0.300 . . . . . A 665 LYS CG . 25750 1 657 . 1 1 75 75 LYS N N 15 127.142 0.300 . . . . . A 665 LYS N . 25750 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list _Heteronucl_T2_list.Entry_ID 25750 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800.05 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '2D TRACT' . . . 25750 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 MET N N 15 4.124057763 0.184758027 14.95993905 2.299360309 . . 593 MET N 25750 1 2 . 1 1 4 4 GLU N N 15 2.343645776 0.162311554 6.613447712 0.733209691 . . 594 GLU N 25750 1 3 . 1 1 5 5 GLY N N 15 2.255240378 0.15110155 9.507428557 1.391454476 . . 595 GLY N 25750 1 4 . 1 1 6 6 LYS N N 15 2.090723399 0.117659567 5.003367954 0.619840541 . . 596 LYS N 25750 1 5 . 1 1 8 8 LYS N N 15 2.844685686 0.154080967 11.20582456 1.136502387 . . 598 LYS N 25750 1 6 . 1 1 9 9 MET N N 15 2.316809827 0.241261348 11.44513055 1.176382878 . . 599 MET N 25750 1 7 . 1 1 12 12 ALA N N 15 3.440836825 0.123025119 15.19673198 0.885082232 . . 602 ALA N 25750 1 8 . 1 1 13 13 ALA N N 15 4.152971421 0.134429475 21.78828513 1.626071164 . . 603 ALA N 25750 1 9 . 1 1 14 14 SER N N 15 6.325162189 0.160896224 32.85418221 2.529601093 . . 604 SER N 25750 1 10 . 1 1 15 15 SER N N 15 8.462272853 0.183656509 57.91199766 2.990538944 . . 605 SER N 25750 1 11 . 1 1 16 16 GLN N N 15 7.936329691 0.141981038 66.15702431 2.188900025 . . 606 GLN N 25750 1 12 . 1 1 17 17 ALA N N 15 10.88270426 0.142084388 95.33252314 3.193832632 . . 607 ALA N 25750 1 13 . 1 1 18 18 ALA N N 15 11.57209117 0.243543521 107.8988106 1.116643043 . . 608 ALA N 25750 1 14 . 1 1 19 19 VAL N N 15 13.76576985 0.331672478 153.665535 4.216579087 . . 609 VAL N 25750 1 15 . 1 1 20 20 GLU N N 15 13.3427053 0.20237329 135.696852 3.206946686 . . 610 GLU N 25750 1 16 . 1 1 21 21 GLU N N 15 12.72789239 0.216979544 148.2660225 3.035429273 . . 611 GLU N 25750 1 17 . 1 1 22 22 LEU N N 15 13.31471796 0.094804607 135.5441286 6.461135638 . . 612 LEU N 25750 1 18 . 1 1 23 23 ARG N N 15 15.46302681 0.609516607 144.8569245 3.026093837 . . 613 ARG N 25750 1 19 . 1 1 24 24 THR N N 15 13.97465194 0.277871917 130.22299 4.01011298 . . 614 THR N 25750 1 20 . 1 1 25 25 GLN N N 15 13.07182186 0.240393955 132.2536409 5.038459056 . . 615 GLN N 25750 1 21 . 1 1 26 26 VAL N N 15 13.74731832 0.440128465 158.6516615 3.408061106 . . 616 VAL N 25750 1 22 . 1 1 27 27 ARG N N 15 13.36442411 0.123077323 131.3023165 3.391271643 . . 617 ARG N 25750 1 23 . 1 1 28 28 GLU N N 15 12.56113515 0.115394295 138.5317409 3.5491296 . . 618 GLU N 25750 1 24 . 1 1 29 29 LEU N N 15 13.3687 0.3545 152.0503 4.028 . . 619 LEU N 25750 1 25 . 1 1 31 31 SER N N 15 15.22067015 0.280491541 125.7436754 3.103377694 . . 621 SER N 25750 1 26 . 1 1 32 32 ILE N N 15 13.97488709 0.186129109 141.7147091 1.697022151 . . 622 ILE N 25750 1 27 . 1 1 33 33 ILE N N 15 14.05155723 0.179949145 168.6115512 0.747255751 . . 623 ILE N 25750 1 28 . 1 1 34 34 GLU N N 15 13.77069353 0.147675748 132.4672831 1.604777695 . . 624 GLU N 25750 1 29 . 1 1 35 35 THR N N 15 14.10313419 0.219086531 129.752051 2.494881853 . . 625 THR N 25750 1 30 . 1 1 37 37 LYS N N 15 14.56705252 0.298161419 142.4533389 3.031778928 . . 627 LYS N 25750 1 31 . 1 1 38 38 ASP N N 15 13.33070176 0.190055008 131.749837 2.995520674 . . 628 ASP N 25750 1 32 . 1 1 39 39 GLN N N 15 13.60070206 0.629726201 190.1376298 2.880049538 . . 629 GLN N 25750 1 33 . 1 1 40 40 GLN N N 15 13.99492625 0.258827122 161.7232595 2.205218817 . . 630 GLN N 25750 1 34 . 1 1 41 41 LYS N N 15 13.90984389 0.203907692 142.2020713 1.530220034 . . 631 LYS N 25750 1 35 . 1 1 42 42 ARG N N 15 13.22749311 0.113546915 145.9528415 2.353115927 . . 632 ARG N 25750 1 36 . 1 1 43 43 GLU N N 15 14.68280466 0.494908079 147.6989173 3.790632593 . . 633 GLU N 25750 1 37 . 1 1 45 45 LYS N N 15 13.96212819 0.277016598 141.4329458 3.402870962 . . 635 LYS N 25750 1 38 . 1 1 46 46 GLN N N 15 14.09459325 0.321139105 180.8307912 4.87030266 . . 636 GLN N 25750 1 39 . 1 1 47 47 LEU N N 15 13.35480016 0.325715652 144.2175649 2.129033689 . . 637 LEU N 25750 1 40 . 1 1 48 48 LEU N N 15 14.85286455 0.219923931 134.5398324 1.116153163 . . 638 LEU N 25750 1 41 . 1 1 49 49 SER N N 15 15.91559955 0.40914762 131.2709506 2.100450553 . . 639 SER N 25750 1 42 . 1 1 50 50 GLU N N 15 14.69865733 0.252408952 147.4123687 3.730243413 . . 640 GLU N 25750 1 43 . 1 1 52 52 ASP N N 15 26.31275791 0.876519503 140.62121 3.573276085 . . 642 ASP N 25750 1 44 . 1 1 53 53 GLU N N 15 14.44436495 0.197120208 133.0129621 2.375315736 . . 643 GLU N 25750 1 45 . 1 1 54 54 GLU N N 15 18.67619507 0.212479181 188.980309 3.568748838 . . 644 GLU N 25750 1 46 . 1 1 59 59 LEU N N 15 14.71601932 0.115576454 153.8949617 2.429263535 . . 649 LEU N 25750 1 47 . 1 1 60 60 ARG N N 15 16.7941501 0.204119571 126.1268472 1.455645137 . . 650 ARG N 25750 1 48 . 1 1 61 61 LEU N N 15 17.00502175 0.211333354 193.5627341 6.559426029 . . 651 LEU N 25750 1 49 . 1 1 62 62 GLN N N 15 15.75993651 0.181888448 125.4807211 5.378763812 . . 652 GLN N 25750 1 50 . 1 1 63 63 MET N N 15 14.2065905 0.378653277 124.2701508 2.769050061 . . 653 MET N 25750 1 51 . 1 1 64 64 GLU N N 15 13.22116749 0.133054899 156.7456637 4.328245956 . . 654 GLU N 25750 1 52 . 1 1 65 65 VAL N N 15 14.34079081 0.320970275 130.0170689 4.130305823 . . 655 VAL N 25750 1 53 . 1 1 67 67 ASP N N 15 13.19303233 0.13646329 127.1062812 1.159880327 . . 657 ASP N 25750 1 54 . 1 1 68 68 ILE N N 15 13.08163106 0.10030897 109.6488641 2.38218264 . . 658 ILE N 25750 1 55 . 1 1 70 70 LYS N N 15 12.32647252 0.057753433 104.7068013 1.462403062 . . 660 LYS N 25750 1 56 . 1 1 71 71 ALA N N 15 12.13884574 0.192309099 126.5150117 2.608037902 . . 661 ALA N 25750 1 57 . 1 1 72 72 LEU N N 15 13.18766428 0.153612666 123.5559659 4.010411701 . . 662 LEU N 25750 1 58 . 1 1 73 73 GLN N N 15 8.410117715 0.123544702 55.29185382 1.062181415 . . 663 GLN N 25750 1 59 . 1 1 74 74 SER N N 15 5.738764196 0.179610926 23.97459609 0.927549601 . . 664 SER N 25750 1 60 . 1 1 75 75 LYS N N 15 2.485223751 0.112138773 13.55707059 0.880369413 . . 665 LYS N 25750 1 stop_ save_