data_6401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6401 _Entry.Title ; NMR assignment of R55F mutant of Mason-Pfizer monkey virus matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-24 _Entry.Accession_date 2004-11-24 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Vaclav Veverka . . . 6401 2 Jiri Vlach . . . 6401 3 Jan Lipov . . . 6401 4 Michaela Rumlova . . . 6401 5 Tomas Ruml . . . 6401 6 Richard Hrabal . . . 6401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 6401 '1H chemical shifts' 552 6401 '15N chemical shifts' 90 6401 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 . . 2005-07-26 2004-10-25 original author . 6401 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6400 'wt ma' 6401 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C, and 15N resonances of WT matrix protein and its R55F mutant from Mason-Pfizer monkey virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 381 _Citation.Page_last 382 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 Jiri Vlach . . . 6401 1 2 Jan Lipov . . . 6401 1 3 V. Veverka . . . 6401 1 4 M. Rumlova . . . 6401 1 5 Tomas Ruml . . . 6401 1 6 Richard Hrabal . . . 6401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6401 _Assembly.ID 1 _Assembly.Name R55F _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6401 1 stop_ 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 R55F 1 $R55F_mutant_of_M-PMV_matrix_protein . . . native . . . . . 6401 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID R55F system 6401 1 R55F abbreviation 6401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R55F_mutant_of_M-PMV_matrix_protein _Entity.Sf_category entity _Entity.Sf_framecode R55F_mutant_of_M-PMV_matrix_protein _Entity.Entry_ID 6401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R55F _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 ; MGQELSQHERYVEQLKQALK TRGVKVKYADLLKFFDFVKD TCPWFPQEGTIDIKFWRRVG DCFQDYYNTFGPEKVPVTAF SYWNLIKELIDKKEVNPQVM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 no BMRB 18282 . M-PMV_MATRIX_PROTEIN . . . . . 99.00 124 98.99 98.99 3.31e-66 . . . . 6401 1 2 no BMRB 25087 . MPMV_MA_Y28F_Y67F . . . . . 99.00 125 96.97 98.99 5.09e-65 . . . . 6401 1 3 no BMRB 6400 . wild-type_matrix_protein_of_M-PMV . . . . . 100.00 100 99.00 99.00 3.67e-66 . . . . 6401 1 4 no PDB 1BAX . "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure" . . . . . 94.00 94 98.94 98.94 3.35e-61 . . . . 6401 1 5 no PDB 2F76 . "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)" . . . . . 100.00 100 99.00 99.00 3.67e-66 . . . . 6401 1 6 no PDB 2F77 . "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)" . . . . . 100.00 100 100.00 100.00 2.96e-67 . . . . 6401 1 7 no PDB 2LPY . "Solution Structure Of The M-Pmv Myristoylated Matrix Protein" . . . . . 99.00 124 98.99 98.99 3.31e-66 . . . . 6401 1 8 no GB AAA47710 . "gag polyprotein [Mason-Pfizer monkey virus]" . . . . . 100.00 657 99.00 99.00 5.49e-62 . . . . 6401 1 9 no GB AAA47730 . "gag polyprotein [Simian retrovirus 1]" . . . . . 100.00 658 99.00 99.00 4.67e-62 . . . . 6401 1 10 no GB AAC82573 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 99.00 99.00 5.49e-62 . . . . 6401 1 11 no GB AAC82574 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 99.00 99.00 2.27e-61 . . . . 6401 1 12 no GB AAC82576 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 99.00 99.00 4.12e-62 . . . . 6401 1 13 no PIR FOLJSA . "gag polyprotein - simian AIDS retrovirus SRV-1" . . . . . 100.00 658 99.00 99.00 4.67e-62 . . . . 6401 1 14 no REF NP_056891 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 99.00 99.00 4.12e-62 . . . . 6401 1 15 no REF NP_056892 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 99.00 99.00 2.27e-61 . . . . 6401 1 16 no REF NP_056893 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 99.00 99.00 5.49e-62 . . . . 6401 1 17 no REF NP_954557 . "p10 MA [Mason-Pfizer monkey virus]" . . . . . 99.00 99 98.99 98.99 4.01e-65 . . . . 6401 1 18 no REF NP_954565 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 99.00 99.00 4.12e-62 . . . . 6401 1 19 no SP P04022 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 658 99.00 99.00 4.67e-62 . . . . 6401 1 20 no SP P07567 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 657 99.00 99.00 5.49e-62 . . . . 6401 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID R55F common 6401 1 R55F abbreviation 6401 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 . MET . 6401 1 2 . GLY . 6401 1 3 . GLN . 6401 1 4 . GLU . 6401 1 5 . LEU . 6401 1 6 . SER . 6401 1 7 . GLN . 6401 1 8 . HIS . 6401 1 9 . GLU . 6401 1 10 . ARG . 6401 1 11 . TYR . 6401 1 12 . VAL . 6401 1 13 . GLU . 6401 1 14 . GLN . 6401 1 15 . LEU . 6401 1 16 . LYS . 6401 1 17 . GLN . 6401 1 18 . ALA . 6401 1 19 . LEU . 6401 1 20 . LYS . 6401 1 21 . THR . 6401 1 22 . ARG . 6401 1 23 . GLY . 6401 1 24 . VAL . 6401 1 25 . LYS . 6401 1 26 . VAL . 6401 1 27 . LYS . 6401 1 28 . TYR . 6401 1 29 . ALA . 6401 1 30 . ASP . 6401 1 31 . LEU . 6401 1 32 . LEU . 6401 1 33 . LYS . 6401 1 34 . PHE . 6401 1 35 . PHE . 6401 1 36 . ASP . 6401 1 37 . PHE . 6401 1 38 . VAL . 6401 1 39 . LYS . 6401 1 40 . ASP . 6401 1 41 . THR . 6401 1 42 . CYS . 6401 1 43 . PRO . 6401 1 44 . TRP . 6401 1 45 . PHE . 6401 1 46 . PRO . 6401 1 47 . GLN . 6401 1 48 . GLU . 6401 1 49 . GLY . 6401 1 50 . THR . 6401 1 51 . ILE . 6401 1 52 . ASP . 6401 1 53 . ILE . 6401 1 54 . LYS . 6401 1 55 . PHE . 6401 1 56 . TRP . 6401 1 57 . ARG . 6401 1 58 . ARG . 6401 1 59 . VAL . 6401 1 60 . GLY . 6401 1 61 . ASP . 6401 1 62 . CYS . 6401 1 63 . PHE . 6401 1 64 . GLN . 6401 1 65 . ASP . 6401 1 66 . TYR . 6401 1 67 . TYR . 6401 1 68 . ASN . 6401 1 69 . THR . 6401 1 70 . PHE . 6401 1 71 . GLY . 6401 1 72 . PRO . 6401 1 73 . GLU . 6401 1 74 . LYS . 6401 1 75 . VAL . 6401 1 76 . PRO . 6401 1 77 . VAL . 6401 1 78 . THR . 6401 1 79 . ALA . 6401 1 80 . PHE . 6401 1 81 . SER . 6401 1 82 . TYR . 6401 1 83 . TRP . 6401 1 84 . ASN . 6401 1 85 . LEU . 6401 1 86 . ILE . 6401 1 87 . LYS . 6401 1 88 . GLU . 6401 1 89 . LEU . 6401 1 90 . ILE . 6401 1 91 . ASP . 6401 1 92 . LYS . 6401 1 93 . LYS . 6401 1 94 . GLU . 6401 1 95 . VAL . 6401 1 96 . ASN . 6401 1 97 . PRO . 6401 1 98 . GLN . 6401 1 99 . VAL . 6401 1 100 . MET . 6401 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6401 1 . GLY 2 2 6401 1 . GLN 3 3 6401 1 . GLU 4 4 6401 1 . LEU 5 5 6401 1 . SER 6 6 6401 1 . GLN 7 7 6401 1 . HIS 8 8 6401 1 . GLU 9 9 6401 1 . ARG 10 10 6401 1 . TYR 11 11 6401 1 . VAL 12 12 6401 1 . GLU 13 13 6401 1 . GLN 14 14 6401 1 . LEU 15 15 6401 1 . LYS 16 16 6401 1 . GLN 17 17 6401 1 . ALA 18 18 6401 1 . LEU 19 19 6401 1 . LYS 20 20 6401 1 . THR 21 21 6401 1 . ARG 22 22 6401 1 . GLY 23 23 6401 1 . VAL 24 24 6401 1 . LYS 25 25 6401 1 . VAL 26 26 6401 1 . LYS 27 27 6401 1 . TYR 28 28 6401 1 . ALA 29 29 6401 1 . ASP 30 30 6401 1 . LEU 31 31 6401 1 . LEU 32 32 6401 1 . LYS 33 33 6401 1 . PHE 34 34 6401 1 . PHE 35 35 6401 1 . ASP 36 36 6401 1 . PHE 37 37 6401 1 . VAL 38 38 6401 1 . LYS 39 39 6401 1 . ASP 40 40 6401 1 . THR 41 41 6401 1 . CYS 42 42 6401 1 . PRO 43 43 6401 1 . TRP 44 44 6401 1 . PHE 45 45 6401 1 . PRO 46 46 6401 1 . GLN 47 47 6401 1 . GLU 48 48 6401 1 . GLY 49 49 6401 1 . THR 50 50 6401 1 . ILE 51 51 6401 1 . ASP 52 52 6401 1 . ILE 53 53 6401 1 . LYS 54 54 6401 1 . PHE 55 55 6401 1 . TRP 56 56 6401 1 . ARG 57 57 6401 1 . ARG 58 58 6401 1 . VAL 59 59 6401 1 . GLY 60 60 6401 1 . ASP 61 61 6401 1 . CYS 62 62 6401 1 . PHE 63 63 6401 1 . GLN 64 64 6401 1 . ASP 65 65 6401 1 . TYR 66 66 6401 1 . TYR 67 67 6401 1 . ASN 68 68 6401 1 . THR 69 69 6401 1 . PHE 70 70 6401 1 . GLY 71 71 6401 1 . PRO 72 72 6401 1 . GLU 73 73 6401 1 . LYS 74 74 6401 1 . VAL 75 75 6401 1 . PRO 76 76 6401 1 . VAL 77 77 6401 1 . THR 78 78 6401 1 . ALA 79 79 6401 1 . PHE 80 80 6401 1 . SER 81 81 6401 1 . TYR 82 82 6401 1 . TRP 83 83 6401 1 . ASN 84 84 6401 1 . LEU 85 85 6401 1 . ILE 86 86 6401 1 . LYS 87 87 6401 1 . GLU 88 88 6401 1 . LEU 89 89 6401 1 . ILE 90 90 6401 1 . ASP 91 91 6401 1 . LYS 92 92 6401 1 . LYS 93 93 6401 1 . GLU 94 94 6401 1 . VAL 95 95 6401 1 . ASN 96 96 6401 1 . PRO 97 97 6401 1 . GLN 98 98 6401 1 . VAL 99 99 6401 1 . MET 100 100 6401 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 6401 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $R55F_mutant_of_M-PMV_matrix_protein . 11855 virus . 'Betaretrovirus Mason-Pfizer monkey virus' 'Mason-Pfizer monkey virus' . . Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' . . . . . . . . . . . . . . . . . . . . . 6401 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 6401 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $R55F_mutant_of_M-PMV_matrix_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6401 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 R55F '[U-13C; U-15N]' . . 1 $R55F_mutant_of_M-PMV_matrix_protein . . 1 . . mM . . . . 6401 1 2 NaH2PO4/Na2HPO4 . . . . . . . 100 . . mM . . . . 6401 1 3 NaCl . . . . . . . 200 . . mM . . . . 6401 1 4 D2O . . . . . . . 10 . . % . . . . 6401 1 5 DTT . . . . . . . 5 . . % . . . . 6401 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6401 _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 6.0 0.1 pH 6401 1 temperature 298 0.1 K 6401 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6401 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6401 _Software.ID 2 _Software.Name Sparky _Software.Version 3.110 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz_Bruker_Avance _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz_Bruker_Avance _NMR_spectrometer.Entry_ID 6401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6401 _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 1 500_MHz_Bruker_Avance Bruker Avance . 500 . . . 6401 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 6401 _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 '1H15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 2 '1H13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 5 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 6 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 7 CC-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 8 HcCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 9 '3D 15N-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 10 '3D 13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 11 '4D 13C,15N-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz_Bruker_Avance . . . . . . . . . . . . . . . . 6401 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HcCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6401 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '4D 13C,15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Bruker_Avance _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6401 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6401 1 C 13 DSS 'methyl carbons' . . . . ppm 0 internal indirect 0.25145 . . . 1 $entry_citation . . 1 $entry_citation 6401 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6401 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 . 6401 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 1 1 MET CA C 13 55.453 0.098 . 1 . . . . . . . . 6401 1 2 . 1 1 1 1 MET CB C 13 31.555 0.055 . 1 . . . . . . . . 6401 1 3 . 1 1 1 1 MET CG C 13 35.359 0.052 . 1 . . . . . . . . 6401 1 4 . 1 1 1 1 MET HA H 1 3.964 0.007 . 1 . . . . . . . . 6401 1 5 . 1 1 1 1 MET HB2 H 1 1.817 0.021 . 2 . . . . . . . . 6401 1 6 . 1 1 1 1 MET HB3 H 1 1.684 0.010 . 2 . . . . . . . . 6401 1 7 . 1 1 1 1 MET HG2 H 1 1.881 0.004 . 2 . . . . . . . . 6401 1 8 . 1 1 2 2 GLY CA C 13 45.215 0.014 . 1 . . . . . . . . 6401 1 9 . 1 1 2 2 GLY H H 1 8.448 0.010 . 1 . . . . . . . . 6401 1 10 . 1 1 2 2 GLY N N 15 109.920 0.042 . 1 . . . . . . . . 6401 1 11 . 1 1 2 2 GLY HA2 H 1 3.955 0.014 . 2 . . . . . . . . 6401 1 12 . 1 1 3 3 GLN CA C 13 56.111 0.044 . 1 . . . . . . . . 6401 1 13 . 1 1 3 3 GLN CB C 13 29.671 0.089 . 1 . . . . . . . . 6401 1 14 . 1 1 3 3 GLN CG C 13 33.962 0.011 . 1 . . . . . . . . 6401 1 15 . 1 1 3 3 GLN HA H 1 4.289 0.011 . 1 . . . . . . . . 6401 1 16 . 1 1 3 3 GLN HB2 H 1 2.014 0.015 . 2 . . . . . . . . 6401 1 17 . 1 1 3 3 GLN HB3 H 1 1.917 0.004 . 2 . . . . . . . . 6401 1 18 . 1 1 3 3 GLN H H 1 8.270 0.020 . 1 . . . . . . . . 6401 1 19 . 1 1 3 3 GLN N N 15 119.673 0.201 . 1 . . . . . . . . 6401 1 20 . 1 1 3 3 GLN HG2 H 1 2.292 0.010 . 2 . . . . . . . . 6401 1 21 . 1 1 4 4 GLU CA C 13 56.641 0.149 . 1 . . . . . . . . 6401 1 22 . 1 1 4 4 GLU CB C 13 30.264 0.074 . 1 . . . . . . . . 6401 1 23 . 1 1 4 4 GLU CG C 13 36.139 0.011 . 1 . . . . . . . . 6401 1 24 . 1 1 4 4 GLU HA H 1 4.252 0.009 . 1 . . . . . . . . 6401 1 25 . 1 1 4 4 GLU H H 1 8.599 0.005 . 1 . . . . . . . . 6401 1 26 . 1 1 4 4 GLU N N 15 122.630 0.049 . 1 . . . . . . . . 6401 1 27 . 1 1 4 4 GLU HB2 H 1 1.923 0.027 . 2 . . . . . . . . 6401 1 28 . 1 1 4 4 GLU HG2 H 1 2.216 0.012 . 2 . . . . . . . . 6401 1 29 . 1 1 5 5 LEU CA C 13 55.296 0.052 . 1 . . . . . . . . 6401 1 30 . 1 1 5 5 LEU CB C 13 43.073 0.050 . 1 . . . . . . . . 6401 1 31 . 1 1 5 5 LEU CD1 C 13 25.215 0.120 . 2 . . . . . . . . 6401 1 32 . 1 1 5 5 LEU CD2 C 13 23.190 0.030 . 2 . . . . . . . . 6401 1 33 . 1 1 5 5 LEU CG C 13 27.248 0.041 . 1 . . . . . . . . 6401 1 34 . 1 1 5 5 LEU HA H 1 4.393 0.006 . 1 . . . . . . . . 6401 1 35 . 1 1 5 5 LEU HG H 1 1.617 0.021 . 1 . . . . . . . . 6401 1 36 . 1 1 5 5 LEU H H 1 8.283 0.009 . 1 . . . . . . . . 6401 1 37 . 1 1 5 5 LEU N N 15 123.661 0.057 . 1 . . . . . . . . 6401 1 38 . 1 1 5 5 LEU HB2 H 1 1.544 0.012 . 2 . . . . . . . . 6401 1 39 . 1 1 5 5 LEU HD11 H 1 0.753 0.011 . 2 . . . . . . . . 6401 1 40 . 1 1 5 5 LEU HD12 H 1 0.753 0.011 . 2 . . . . . . . . 6401 1 41 . 1 1 5 5 LEU HD13 H 1 0.753 0.011 . 2 . . . . . . . . 6401 1 42 . 1 1 5 5 LEU HD21 H 1 0.716 0.002 . 2 . . . . . . . . 6401 1 43 . 1 1 5 5 LEU HD22 H 1 0.716 0.002 . 2 . . . . . . . . 6401 1 44 . 1 1 5 5 LEU HD23 H 1 0.716 0.002 . 2 . . . . . . . . 6401 1 45 . 1 1 6 6 SER CA C 13 58.056 0.080 . 1 . . . . . . . . 6401 1 46 . 1 1 6 6 SER CB C 13 65.019 0.063 . 1 . . . . . . . . 6401 1 47 . 1 1 6 6 SER HA H 1 4.446 0.010 . 1 . . . . . . . . 6401 1 48 . 1 1 6 6 SER HB2 H 1 4.266 0.011 . 2 . . . . . . . . 6401 1 49 . 1 1 6 6 SER HB3 H 1 4.025 0.010 . 2 . . . . . . . . 6401 1 50 . 1 1 6 6 SER H H 1 8.933 0.007 . 1 . . . . . . . . 6401 1 51 . 1 1 6 6 SER N N 15 118.588 0.058 . 1 . . . . . . . . 6401 1 52 . 1 1 7 7 GLN CA C 13 59.618 0.023 . 1 . . . . . . . . 6401 1 53 . 1 1 7 7 GLN CB C 13 27.988 0.088 . 1 . . . . . . . . 6401 1 54 . 1 1 7 7 GLN CG C 13 33.441 0.072 . 1 . . . . . . . . 6401 1 55 . 1 1 7 7 GLN HA H 1 3.963 0.007 . 1 . . . . . . . . 6401 1 56 . 1 1 7 7 GLN H H 1 8.866 0.010 . 1 . . . . . . . . 6401 1 57 . 1 1 7 7 GLN N N 15 121.054 0.083 . 1 . . . . . . . . 6401 1 58 . 1 1 7 7 GLN HB2 H 1 2.097 0.009 . 2 . . . . . . . . 6401 1 59 . 1 1 7 7 GLN HG2 H 1 2.469 0.009 . 2 . . . . . . . . 6401 1 60 . 1 1 8 8 HIS CA C 13 59.329 0.104 . 1 . . . . . . . . 6401 1 61 . 1 1 8 8 HIS CB C 13 29.159 0.111 . 1 . . . . . . . . 6401 1 62 . 1 1 8 8 HIS HA H 1 4.413 0.014 . 1 . . . . . . . . 6401 1 63 . 1 1 8 8 HIS HB2 H 1 3.226 0.009 . 2 . . . . . . . . 6401 1 64 . 1 1 8 8 HIS HB3 H 1 3.036 0.016 . 2 . . . . . . . . 6401 1 65 . 1 1 8 8 HIS HD2 H 1 7.371 0.022 . 2 . . . . . . . . 6401 1 66 . 1 1 8 8 HIS H H 1 8.690 0.012 . 1 . . . . . . . . 6401 1 67 . 1 1 8 8 HIS N N 15 118.408 0.071 . 1 . . . . . . . . 6401 1 68 . 1 1 9 9 GLU CA C 13 59.602 0.061 . 1 . . . . . . . . 6401 1 69 . 1 1 9 9 GLU CB C 13 30.291 0.038 . 1 . . . . . . . . 6401 1 70 . 1 1 9 9 GLU CG C 13 37.457 0.123 . 1 . . . . . . . . 6401 1 71 . 1 1 9 9 GLU HA H 1 3.900 0.010 . 1 . . . . . . . . 6401 1 72 . 1 1 9 9 GLU H H 1 7.860 0.010 . 1 . . . . . . . . 6401 1 73 . 1 1 9 9 GLU N N 15 118.573 0.056 . 1 . . . . . . . . 6401 1 74 . 1 1 9 9 GLU HB2 H 1 2.158 0.009 . 2 . . . . . . . . 6401 1 75 . 1 1 9 9 GLU HG2 H 1 2.346 0.013 . 2 . . . . . . . . 6401 1 76 . 1 1 10 10 ARG CA C 13 59.604 0.015 . 1 . . . . . . . . 6401 1 77 . 1 1 10 10 ARG CB C 13 30.185 0.052 . 1 . . . . . . . . 6401 1 78 . 1 1 10 10 ARG CD C 13 43.505 0.035 . 1 . . . . . . . . 6401 1 79 . 1 1 10 10 ARG CG C 13 28.028 0.160 . 1 . . . . . . . . 6401 1 80 . 1 1 10 10 ARG HA H 1 3.948 0.006 . 1 . . . . . . . . 6401 1 81 . 1 1 10 10 ARG HD2 H 1 3.161 0.005 . 2 . . . . . . . . 6401 1 82 . 1 1 10 10 ARG HD3 H 1 3.100 0.004 . 2 . . . . . . . . 6401 1 83 . 1 1 10 10 ARG H H 1 8.380 0.016 . 1 . . . . . . . . 6401 1 84 . 1 1 10 10 ARG N N 15 119.038 0.069 . 1 . . . . . . . . 6401 1 85 . 1 1 10 10 ARG HB2 H 1 1.829 0.013 . 2 . . . . . . . . 6401 1 86 . 1 1 10 10 ARG HG2 H 1 1.550 0.012 . 2 . . . . . . . . 6401 1 87 . 1 1 11 11 TYR CA C 13 61.045 0.057 . 1 . . . . . . . . 6401 1 88 . 1 1 11 11 TYR CB C 13 38.297 0.016 . 1 . . . . . . . . 6401 1 89 . 1 1 11 11 TYR HA H 1 4.116 0.009 . 1 . . . . . . . . 6401 1 90 . 1 1 11 11 TYR H H 1 8.073 0.034 . 1 . . . . . . . . 6401 1 91 . 1 1 11 11 TYR HB2 H 1 3.052 0.005 . 2 . . . . . . . . 6401 1 92 . 1 1 11 11 TYR HD1 H 1 6.712 0.028 . 3 . . . . . . . . 6401 1 93 . 1 1 12 12 VAL CA C 13 67.208 0.112 . 1 . . . . . . . . 6401 1 94 . 1 1 12 12 VAL CB C 13 31.275 0.103 . 1 . . . . . . . . 6401 1 95 . 1 1 12 12 VAL CG1 C 13 22.756 0.077 . 2 . . . . . . . . 6401 1 96 . 1 1 12 12 VAL HA H 1 3.058 0.009 . 1 . . . . . . . . 6401 1 97 . 1 1 12 12 VAL HB H 1 1.985 0.011 . 1 . . . . . . . . 6401 1 98 . 1 1 12 12 VAL H H 1 7.605 0.012 . 1 . . . . . . . . 6401 1 99 . 1 1 12 12 VAL N N 15 118.345 0.075 . 1 . . . . . . . . 6401 1 100 . 1 1 12 12 VAL HG11 H 1 0.598 0.008 . 2 . . . . . . . . 6401 1 101 . 1 1 12 12 VAL HG12 H 1 0.598 0.008 . 2 . . . . . . . . 6401 1 102 . 1 1 12 12 VAL HG13 H 1 0.598 0.008 . 2 . . . . . . . . 6401 1 103 . 1 1 13 13 GLU CA C 13 59.627 0.106 . 1 . . . . . . . . 6401 1 104 . 1 1 13 13 GLU CB C 13 29.142 0.066 . 1 . . . . . . . . 6401 1 105 . 1 1 13 13 GLU CG C 13 35.457 0.153 . 1 . . . . . . . . 6401 1 106 . 1 1 13 13 GLU HA H 1 4.141 0.010 . 1 . . . . . . . . 6401 1 107 . 1 1 13 13 GLU H H 1 8.531 0.011 . 1 . . . . . . . . 6401 1 108 . 1 1 13 13 GLU N N 15 121.056 0.061 . 1 . . . . . . . . 6401 1 109 . 1 1 13 13 GLU HB2 H 1 2.120 0.007 . 2 . . . . . . . . 6401 1 110 . 1 1 13 13 GLU HG2 H 1 2.098 0.014 . 2 . . . . . . . . 6401 1 111 . 1 1 14 14 GLN CA C 13 59.263 0.053 . 1 . . . . . . . . 6401 1 112 . 1 1 14 14 GLN CB C 13 28.030 0.049 . 1 . . . . . . . . 6401 1 113 . 1 1 14 14 GLN CG C 13 34.414 0.091 . 1 . . . . . . . . 6401 1 114 . 1 1 14 14 GLN HA H 1 3.915 0.005 . 1 . . . . . . . . 6401 1 115 . 1 1 14 14 GLN HB2 H 1 2.135 0.011 . 2 . . . . . . . . 6401 1 116 . 1 1 14 14 GLN HB3 H 1 1.983 0.016 . 2 . . . . . . . . 6401 1 117 . 1 1 14 14 GLN H H 1 8.354 0.008 . 1 . . . . . . . . 6401 1 118 . 1 1 14 14 GLN N N 15 118.201 0.050 . 1 . . . . . . . . 6401 1 119 . 1 1 14 14 GLN HG2 H 1 2.453 0.005 . 2 . . . . . . . . 6401 1 120 . 1 1 15 15 LEU CA C 13 57.821 0.142 . 1 . . . . . . . . 6401 1 121 . 1 1 15 15 LEU CB C 13 42.123 0.064 . 1 . . . . . . . . 6401 1 122 . 1 1 15 15 LEU CD1 C 13 25.842 0.113 . 2 . . . . . . . . 6401 1 123 . 1 1 15 15 LEU CG C 13 26.911 0.086 . 1 . . . . . . . . 6401 1 124 . 1 1 15 15 LEU HA H 1 3.891 0.014 . 1 . . . . . . . . 6401 1 125 . 1 1 15 15 LEU HB2 H 1 1.663 0.010 . 2 . . . . . . . . 6401 1 126 . 1 1 15 15 LEU HB3 H 1 1.032 0.010 . 2 . . . . . . . . 6401 1 127 . 1 1 15 15 LEU HG H 1 1.249 0.010 . 1 . . . . . . . . 6401 1 128 . 1 1 15 15 LEU H H 1 7.402 0.016 . 1 . . . . . . . . 6401 1 129 . 1 1 15 15 LEU N N 15 121.775 0.063 . 1 . . . . . . . . 6401 1 130 . 1 1 15 15 LEU HD11 H 1 0.599 0.020 . 2 . . . . . . . . 6401 1 131 . 1 1 15 15 LEU HD12 H 1 0.599 0.020 . 2 . . . . . . . . 6401 1 132 . 1 1 15 15 LEU HD13 H 1 0.599 0.020 . 2 . . . . . . . . 6401 1 133 . 1 1 16 16 LYS CA C 13 60.596 0.065 . 1 . . . . . . . . 6401 1 134 . 1 1 16 16 LYS CB C 13 32.232 0.057 . 1 . . . . . . . . 6401 1 135 . 1 1 16 16 LYS CD C 13 29.360 0.123 . 1 . . . . . . . . 6401 1 136 . 1 1 16 16 LYS CE C 13 42.242 0.072 . 1 . . . . . . . . 6401 1 137 . 1 1 16 16 LYS CG C 13 24.831 0.071 . 1 . . . . . . . . 6401 1 138 . 1 1 16 16 LYS HA H 1 3.588 0.010 . 1 . . . . . . . . 6401 1 139 . 1 1 16 16 LYS HB2 H 1 2.223 0.012 . 2 . . . . . . . . 6401 1 140 . 1 1 16 16 LYS HB3 H 1 1.698 0.007 . 2 . . . . . . . . 6401 1 141 . 1 1 16 16 LYS H H 1 8.011 1.418 . 1 . . . . . . . . 6401 1 142 . 1 1 16 16 LYS N N 15 120.509 0.077 . 1 . . . . . . . . 6401 1 143 . 1 1 16 16 LYS HD2 H 1 1.631 0.011 . 2 . . . . . . . . 6401 1 144 . 1 1 16 16 LYS HE2 H 1 2.919 0.017 . 2 . . . . . . . . 6401 1 145 . 1 1 16 16 LYS HG2 H 1 1.184 0.011 . 2 . . . . . . . . 6401 1 146 . 1 1 17 17 GLN CA C 13 58.633 0.072 . 1 . . . . . . . . 6401 1 147 . 1 1 17 17 GLN CB C 13 27.993 0.043 . 1 . . . . . . . . 6401 1 148 . 1 1 17 17 GLN CG C 13 33.986 0.013 . 1 . . . . . . . . 6401 1 149 . 1 1 17 17 GLN HA H 1 4.005 0.010 . 1 . . . . . . . . 6401 1 150 . 1 1 17 17 GLN H H 1 8.412 0.005 . 1 . . . . . . . . 6401 1 151 . 1 1 17 17 GLN N N 15 118.558 0.055 . 1 . . . . . . . . 6401 1 152 . 1 1 17 17 GLN HB2 H 1 2.094 0.008 . 2 . . . . . . . . 6401 1 153 . 1 1 17 17 GLN HG2 H 1 2.494 0.011 . 2 . . . . . . . . 6401 1 154 . 1 1 18 18 ALA CA C 13 55.236 0.073 . 1 . . . . . . . . 6401 1 155 . 1 1 18 18 ALA CB C 13 18.662 0.048 . 1 . . . . . . . . 6401 1 156 . 1 1 18 18 ALA HA H 1 4.099 0.009 . 1 . . . . . . . . 6401 1 157 . 1 1 18 18 ALA H H 1 8.135 0.009 . 1 . . . . . . . . 6401 1 158 . 1 1 18 18 ALA N N 15 124.033 0.058 . 1 . . . . . . . . 6401 1 159 . 1 1 18 18 ALA HB1 H 1 1.459 0.016 . 1 . . . . . . . . 6401 1 160 . 1 1 18 18 ALA HB2 H 1 1.459 0.016 . 1 . . . . . . . . 6401 1 161 . 1 1 18 18 ALA HB3 H 1 1.459 0.016 . 1 . . . . . . . . 6401 1 162 . 1 1 19 19 LEU CA C 13 58.196 0.096 . 1 . . . . . . . . 6401 1 163 . 1 1 19 19 LEU CB C 13 40.823 0.042 . 1 . . . . . . . . 6401 1 164 . 1 1 19 19 LEU CD1 C 13 24.294 0.147 . 2 . . . . . . . . 6401 1 165 . 1 1 19 19 LEU CG C 13 26.924 0.107 . 1 . . . . . . . . 6401 1 166 . 1 1 19 19 LEU HA H 1 3.832 0.014 . 1 . . . . . . . . 6401 1 167 . 1 1 19 19 LEU HB2 H 1 1.893 0.013 . 2 . . . . . . . . 6401 1 168 . 1 1 19 19 LEU HB3 H 1 1.323 0.012 . 2 . . . . . . . . 6401 1 169 . 1 1 19 19 LEU H H 1 8.353 0.011 . 1 . . . . . . . . 6401 1 170 . 1 1 19 19 LEU N N 15 119.126 0.053 . 1 . . . . . . . . 6401 1 171 . 1 1 19 19 LEU HD11 H 1 0.664 0.010 . 2 . . . . . . . . 6401 1 172 . 1 1 19 19 LEU HD12 H 1 0.664 0.010 . 2 . . . . . . . . 6401 1 173 . 1 1 19 19 LEU HD13 H 1 0.664 0.010 . 2 . . . . . . . . 6401 1 174 . 1 1 20 20 LYS CA C 13 59.950 0.058 . 1 . . . . . . . . 6401 1 175 . 1 1 20 20 LYS CB C 13 32.084 0.044 . 1 . . . . . . . . 6401 1 176 . 1 1 20 20 LYS CD C 13 29.280 0.071 . 1 . . . . . . . . 6401 1 177 . 1 1 20 20 LYS CG C 13 25.419 0.086 . 1 . . . . . . . . 6401 1 178 . 1 1 20 20 LYS HA H 1 4.011 0.007 . 1 . . . . . . . . 6401 1 179 . 1 1 20 20 LYS H H 1 8.075 0.013 . 1 . . . . . . . . 6401 1 180 . 1 1 20 20 LYS HB2 H 1 2.041 0.008 . 2 . . . . . . . . 6401 1 181 . 1 1 20 20 LYS HG2 H 1 1.662 0.012 . 2 . . . . . . . . 6401 1 182 . 1 1 21 21 THR CA C 13 65.839 0.097 . 1 . . . . . . . . 6401 1 183 . 1 1 21 21 THR CB C 13 69.159 0.064 . 1 . . . . . . . . 6401 1 184 . 1 1 21 21 THR CG2 C 13 21.995 0.030 . 1 . . . . . . . . 6401 1 185 . 1 1 21 21 THR HA H 1 4.038 0.012 . 1 . . . . . . . . 6401 1 186 . 1 1 21 21 THR HB H 1 4.277 0.008 . 1 . . . . . . . . 6401 1 187 . 1 1 21 21 THR H H 1 8.114 0.008 . 1 . . . . . . . . 6401 1 188 . 1 1 21 21 THR N N 15 115.235 0.060 . 1 . . . . . . . . 6401 1 189 . 1 1 21 21 THR HG21 H 1 1.287 0.013 . 1 . . . . . . . . 6401 1 190 . 1 1 21 21 THR HG22 H 1 1.287 0.013 . 1 . . . . . . . . 6401 1 191 . 1 1 21 21 THR HG23 H 1 1.287 0.013 . 1 . . . . . . . . 6401 1 192 . 1 1 22 22 ARG CA C 13 55.438 0.087 . 1 . . . . . . . . 6401 1 193 . 1 1 22 22 ARG CB C 13 29.930 0.134 . 1 . . . . . . . . 6401 1 194 . 1 1 22 22 ARG CD C 13 43.048 0.042 . 1 . . . . . . . . 6401 1 195 . 1 1 22 22 ARG CG C 13 27.260 0.105 . 1 . . . . . . . . 6401 1 196 . 1 1 22 22 ARG HA H 1 4.384 0.015 . 1 . . . . . . . . 6401 1 197 . 1 1 22 22 ARG HB2 H 1 2.118 0.006 . 2 . . . . . . . . 6401 1 198 . 1 1 22 22 ARG HB3 H 1 1.827 0.008 . 2 . . . . . . . . 6401 1 199 . 1 1 22 22 ARG HD2 H 1 3.123 0.006 . 2 . . . . . . . . 6401 1 200 . 1 1 22 22 ARG HD3 H 1 3.023 0.004 . 2 . . . . . . . . 6401 1 201 . 1 1 22 22 ARG H H 1 7.283 0.011 . 1 . . . . . . . . 6401 1 202 . 1 1 22 22 ARG N N 15 119.103 0.059 . 1 . . . . . . . . 6401 1 203 . 1 1 22 22 ARG HG2 H 1 1.656 0.007 . 2 . . . . . . . . 6401 1 204 . 1 1 23 23 GLY CA C 13 45.570 0.073 . 1 . . . . . . . . 6401 1 205 . 1 1 23 23 GLY HA2 H 1 3.672 0.011 . 2 . . . . . . . . 6401 1 206 . 1 1 23 23 GLY HA3 H 1 4.154 0.011 . 2 . . . . . . . . 6401 1 207 . 1 1 23 23 GLY H H 1 7.901 0.006 . 1 . . . . . . . . 6401 1 208 . 1 1 23 23 GLY N N 15 107.001 0.031 . 1 . . . . . . . . 6401 1 209 . 1 1 24 24 VAL CA C 13 61.919 0.100 . 1 . . . . . . . . 6401 1 210 . 1 1 24 24 VAL CB C 13 32.830 0.049 . 1 . . . . . . . . 6401 1 211 . 1 1 24 24 VAL CG1 C 13 20.773 0.164 . 2 . . . . . . . . 6401 1 212 . 1 1 24 24 VAL CG2 C 13 21.870 0.143 . 2 . . . . . . . . 6401 1 213 . 1 1 24 24 VAL HA H 1 3.979 0.020 . 1 . . . . . . . . 6401 1 214 . 1 1 24 24 VAL HB H 1 1.751 0.010 . 1 . . . . . . . . 6401 1 215 . 1 1 24 24 VAL H H 1 7.802 0.009 . 1 . . . . . . . . 6401 1 216 . 1 1 24 24 VAL N N 15 121.980 0.033 . 1 . . . . . . . . 6401 1 217 . 1 1 24 24 VAL HG11 H 1 0.793 0.031 . 2 . . . . . . . . 6401 1 218 . 1 1 24 24 VAL HG12 H 1 0.793 0.031 . 2 . . . . . . . . 6401 1 219 . 1 1 24 24 VAL HG13 H 1 0.793 0.031 . 2 . . . . . . . . 6401 1 220 . 1 1 24 24 VAL HG21 H 1 0.742 0.005 . 2 . . . . . . . . 6401 1 221 . 1 1 24 24 VAL HG22 H 1 0.742 0.005 . 2 . . . . . . . . 6401 1 222 . 1 1 24 24 VAL HG23 H 1 0.742 0.005 . 2 . . . . . . . . 6401 1 223 . 1 1 25 25 LYS CA C 13 56.192 0.142 . 1 . . . . . . . . 6401 1 224 . 1 1 25 25 LYS CB C 13 32.452 0.083 . 1 . . . . . . . . 6401 1 225 . 1 1 25 25 LYS CD C 13 29.267 0.006 . 1 . . . . . . . . 6401 1 226 . 1 1 25 25 LYS CG C 13 24.905 0.038 . 1 . . . . . . . . 6401 1 227 . 1 1 25 25 LYS HA H 1 4.220 0.007 . 1 . . . . . . . . 6401 1 228 . 1 1 25 25 LYS HG2 H 1 1.380 0.011 . 2 . . . . . . . . 6401 1 229 . 1 1 25 25 LYS HG3 H 1 1.619 0.002 . 2 . . . . . . . . 6401 1 230 . 1 1 25 25 LYS H H 1 8.613 0.008 . 1 . . . . . . . . 6401 1 231 . 1 1 25 25 LYS N N 15 128.546 0.052 . 1 . . . . . . . . 6401 1 232 . 1 1 25 25 LYS HB2 H 1 1.675 0.014 . 2 . . . . . . . . 6401 1 233 . 1 1 26 26 VAL CA C 13 59.593 0.027 . 1 . . . . . . . . 6401 1 234 . 1 1 26 26 VAL CB C 13 34.700 0.082 . 1 . . . . . . . . 6401 1 235 . 1 1 26 26 VAL CG1 C 13 21.340 0.123 . 2 . . . . . . . . 6401 1 236 . 1 1 26 26 VAL HA H 1 4.422 0.015 . 1 . . . . . . . . 6401 1 237 . 1 1 26 26 VAL HB H 1 1.921 0.007 . 1 . . . . . . . . 6401 1 238 . 1 1 26 26 VAL H H 1 7.743 0.008 . 1 . . . . . . . . 6401 1 239 . 1 1 26 26 VAL N N 15 121.427 0.036 . 1 . . . . . . . . 6401 1 240 . 1 1 26 26 VAL HG11 H 1 0.753 0.008 . 2 . . . . . . . . 6401 1 241 . 1 1 26 26 VAL HG12 H 1 0.753 0.008 . 2 . . . . . . . . 6401 1 242 . 1 1 26 26 VAL HG13 H 1 0.753 0.008 . 2 . . . . . . . . 6401 1 243 . 1 1 27 27 LYS CA C 13 55.867 0.079 . 1 . . . . . . . . 6401 1 244 . 1 1 27 27 LYS CB C 13 32.876 0.006 . 1 . . . . . . . . 6401 1 245 . 1 1 27 27 LYS CG C 13 25.422 0.035 . 1 . . . . . . . . 6401 1 246 . 1 1 27 27 LYS HA H 1 4.436 0.009 . 1 . . . . . . . . 6401 1 247 . 1 1 27 27 LYS H H 1 8.828 0.016 . 1 . . . . . . . . 6401 1 248 . 1 1 27 27 LYS N N 15 124.126 0.055 . 1 . . . . . . . . 6401 1 249 . 1 1 27 27 LYS HB2 H 1 1.901 0.012 . 2 . . . . . . . . 6401 1 250 . 1 1 27 27 LYS HE2 H 1 2.988 0.022 . 2 . . . . . . . . 6401 1 251 . 1 1 27 27 LYS HG2 H 1 1.498 0.015 . 2 . . . . . . . . 6401 1 252 . 1 1 28 28 TYR CA C 13 62.898 0.092 . 1 . . . . . . . . 6401 1 253 . 1 1 28 28 TYR CB C 13 38.796 0.114 . 1 . . . . . . . . 6401 1 254 . 1 1 28 28 TYR HA H 1 3.753 0.007 . 1 . . . . . . . . 6401 1 255 . 1 1 28 28 TYR H H 1 7.997 0.010 . 1 . . . . . . . . 6401 1 256 . 1 1 28 28 TYR HB2 H 1 3.082 0.015 . 2 . . . . . . . . 6401 1 257 . 1 1 28 28 TYR HD1 H 1 6.826 0.009 . 3 . . . . . . . . 6401 1 258 . 1 1 29 29 ALA CA C 13 55.339 0.079 . 1 . . . . . . . . 6401 1 259 . 1 1 29 29 ALA CB C 13 18.893 0.036 . 1 . . . . . . . . 6401 1 260 . 1 1 29 29 ALA HA H 1 3.807 0.006 . 1 . . . . . . . . 6401 1 261 . 1 1 29 29 ALA H H 1 9.074 0.010 . 1 . . . . . . . . 6401 1 262 . 1 1 29 29 ALA N N 15 117.487 0.038 . 1 . . . . . . . . 6401 1 263 . 1 1 29 29 ALA HB1 H 1 1.423 0.010 . 1 . . . . . . . . 6401 1 264 . 1 1 29 29 ALA HB2 H 1 1.423 0.010 . 1 . . . . . . . . 6401 1 265 . 1 1 29 29 ALA HB3 H 1 1.423 0.010 . 1 . . . . . . . . 6401 1 266 . 1 1 30 30 ASP CA C 13 56.946 0.082 . 1 . . . . . . . . 6401 1 267 . 1 1 30 30 ASP CB C 13 40.775 0.043 . 1 . . . . . . . . 6401 1 268 . 1 1 30 30 ASP HA H 1 4.454 0.009 . 1 . . . . . . . . 6401 1 269 . 1 1 30 30 ASP H H 1 6.757 0.009 . 1 . . . . . . . . 6401 1 270 . 1 1 30 30 ASP N N 15 115.852 0.057 . 1 . . . . . . . . 6401 1 271 . 1 1 30 30 ASP HB2 H 1 2.824 0.015 . 2 . . . . . . . . 6401 1 272 . 1 1 31 31 LEU CA C 13 57.355 0.131 . 1 . . . . . . . . 6401 1 273 . 1 1 31 31 LEU CB C 13 42.202 0.091 . 1 . . . . . . . . 6401 1 274 . 1 1 31 31 LEU CD1 C 13 23.951 0.092 . 2 . . . . . . . . 6401 1 275 . 1 1 31 31 LEU CD2 C 13 24.837 0.087 . 2 . . . . . . . . 6401 1 276 . 1 1 31 31 LEU CG C 13 26.534 0.088 . 1 . . . . . . . . 6401 1 277 . 1 1 31 31 LEU HA H 1 3.981 0.015 . 1 . . . . . . . . 6401 1 278 . 1 1 31 31 LEU HB2 H 1 1.612 0.008 . 2 . . . . . . . . 6401 1 279 . 1 1 31 31 LEU HB3 H 1 1.345 0.015 . 2 . . . . . . . . 6401 1 280 . 1 1 31 31 LEU HG H 1 0.304 0.010 . 1 . . . . . . . . 6401 1 281 . 1 1 31 31 LEU H H 1 7.777 0.011 . 1 . . . . . . . . 6401 1 282 . 1 1 31 31 LEU N N 15 123.068 0.094 . 1 . . . . . . . . 6401 1 283 . 1 1 31 31 LEU HD11 H 1 0.725 0.009 . 2 . . . . . . . . 6401 1 284 . 1 1 31 31 LEU HD12 H 1 0.725 0.009 . 2 . . . . . . . . 6401 1 285 . 1 1 31 31 LEU HD13 H 1 0.725 0.009 . 2 . . . . . . . . 6401 1 286 . 1 1 31 31 LEU HD21 H 1 0.887 0.013 . 2 . . . . . . . . 6401 1 287 . 1 1 31 31 LEU HD22 H 1 0.887 0.013 . 2 . . . . . . . . 6401 1 288 . 1 1 31 31 LEU HD23 H 1 0.887 0.013 . 2 . . . . . . . . 6401 1 289 . 1 1 32 32 LEU CA C 13 58.826 0.115 . 1 . . . . . . . . 6401 1 290 . 1 1 32 32 LEU CB C 13 41.987 0.085 . 1 . . . . . . . . 6401 1 291 . 1 1 32 32 LEU CD1 C 13 25.095 0.072 . 2 . . . . . . . . 6401 1 292 . 1 1 32 32 LEU CD2 C 13 24.604 0.065 . 2 . . . . . . . . 6401 1 293 . 1 1 32 32 LEU CG C 13 26.472 0.141 . 1 . . . . . . . . 6401 1 294 . 1 1 32 32 LEU HA H 1 3.954 0.006 . 1 . . . . . . . . 6401 1 295 . 1 1 32 32 LEU HB2 H 1 1.632 0.008 . 2 . . . . . . . . 6401 1 296 . 1 1 32 32 LEU HB3 H 1 1.136 0.015 . 2 . . . . . . . . 6401 1 297 . 1 1 32 32 LEU HG H 1 1.419 0.020 . 1 . . . . . . . . 6401 1 298 . 1 1 32 32 LEU H H 1 8.619 0.011 . 1 . . . . . . . . 6401 1 299 . 1 1 32 32 LEU N N 15 120.334 0.040 . 1 . . . . . . . . 6401 1 300 . 1 1 32 32 LEU HD11 H 1 0.630 0.017 . 2 . . . . . . . . 6401 1 301 . 1 1 32 32 LEU HD12 H 1 0.630 0.017 . 2 . . . . . . . . 6401 1 302 . 1 1 32 32 LEU HD13 H 1 0.630 0.017 . 2 . . . . . . . . 6401 1 303 . 1 1 32 32 LEU HD21 H 1 0.820 0.016 . 2 . . . . . . . . 6401 1 304 . 1 1 32 32 LEU HD22 H 1 0.820 0.016 . 2 . . . . . . . . 6401 1 305 . 1 1 32 32 LEU HD23 H 1 0.820 0.016 . 2 . . . . . . . . 6401 1 306 . 1 1 33 33 LYS CA C 13 59.465 0.072 . 1 . . . . . . . . 6401 1 307 . 1 1 33 33 LYS CB C 13 32.220 0.046 . 1 . . . . . . . . 6401 1 308 . 1 1 33 33 LYS CD C 13 29.283 0.071 . 1 . . . . . . . . 6401 1 309 . 1 1 33 33 LYS CE C 13 42.183 0.000 . 1 . . . . . . . . 6401 1 310 . 1 1 33 33 LYS CG C 13 25.298 0.108 . 1 . . . . . . . . 6401 1 311 . 1 1 33 33 LYS HA H 1 4.138 0.011 . 1 . . . . . . . . 6401 1 312 . 1 1 33 33 LYS H H 1 7.565 0.012 . 1 . . . . . . . . 6401 1 313 . 1 1 33 33 LYS N N 15 118.447 0.061 . 1 . . . . . . . . 6401 1 314 . 1 1 33 33 LYS HB2 H 1 1.951 0.009 . 2 . . . . . . . . 6401 1 315 . 1 1 33 33 LYS HD2 H 1 1.703 0.006 . 2 . . . . . . . . 6401 1 316 . 1 1 33 33 LYS HE2 H 1 2.978 0.010 . 2 . . . . . . . . 6401 1 317 . 1 1 33 33 LYS HG2 H 1 1.507 0.010 . 2 . . . . . . . . 6401 1 318 . 1 1 34 34 PHE CA C 13 61.230 0.068 . 1 . . . . . . . . 6401 1 319 . 1 1 34 34 PHE CB C 13 38.411 0.083 . 1 . . . . . . . . 6401 1 320 . 1 1 34 34 PHE HA H 1 4.375 0.010 . 1 . . . . . . . . 6401 1 321 . 1 1 34 34 PHE H H 1 7.923 0.018 . 1 . . . . . . . . 6401 1 322 . 1 1 34 34 PHE N N 15 121.343 0.016 . 1 . . . . . . . . 6401 1 323 . 1 1 34 34 PHE HB2 H 1 3.054 0.011 . 2 . . . . . . . . 6401 1 324 . 1 1 34 34 PHE HD1 H 1 6.821 0.013 . 3 . . . . . . . . 6401 1 325 . 1 1 35 35 PHE CA C 13 64.548 0.158 . 1 . . . . . . . . 6401 1 326 . 1 1 35 35 PHE CB C 13 37.898 0.111 . 1 . . . . . . . . 6401 1 327 . 1 1 35 35 PHE HA H 1 3.872 0.008 . 1 . . . . . . . . 6401 1 328 . 1 1 35 35 PHE HB2 H 1 3.696 0.013 . 2 . . . . . . . . 6401 1 329 . 1 1 35 35 PHE HB3 H 1 2.907 0.010 . 2 . . . . . . . . 6401 1 330 . 1 1 35 35 PHE H H 1 8.424 0.006 . 1 . . . . . . . . 6401 1 331 . 1 1 35 35 PHE N N 15 117.514 0.068 . 1 . . . . . . . . 6401 1 332 . 1 1 35 35 PHE HD1 H 1 6.889 0.014 . 3 . . . . . . . . 6401 1 333 . 1 1 35 35 PHE HE1 H 1 7.007 0.013 . 3 . . . . . . . . 6401 1 334 . 1 1 36 36 ASP CA C 13 57.720 0.126 . 1 . . . . . . . . 6401 1 335 . 1 1 36 36 ASP CB C 13 39.880 0.097 . 1 . . . . . . . . 6401 1 336 . 1 1 36 36 ASP HA H 1 4.571 0.018 . 1 . . . . . . . . 6401 1 337 . 1 1 36 36 ASP HB2 H 1 2.933 0.008 . 2 . . . . . . . . 6401 1 338 . 1 1 36 36 ASP HB3 H 1 2.726 0.014 . 2 . . . . . . . . 6401 1 339 . 1 1 36 36 ASP H H 1 8.374 0.015 . 1 . . . . . . . . 6401 1 340 . 1 1 36 36 ASP N N 15 125.072 0.067 . 1 . . . . . . . . 6401 1 341 . 1 1 37 37 PHE CA C 13 61.483 0.114 . 1 . . . . . . . . 6401 1 342 . 1 1 37 37 PHE CB C 13 38.529 0.045 . 1 . . . . . . . . 6401 1 343 . 1 1 37 37 PHE HA H 1 4.333 0.008 . 1 . . . . . . . . 6401 1 344 . 1 1 37 37 PHE H H 1 7.633 0.017 . 1 . . . . . . . . 6401 1 345 . 1 1 37 37 PHE N N 15 123.318 0.074 . 1 . . . . . . . . 6401 1 346 . 1 1 37 37 PHE HB2 H 1 3.207 0.011 . 2 . . . . . . . . 6401 1 347 . 1 1 37 37 PHE HD1 H 1 6.865 0.021 . 3 . . . . . . . . 6401 1 348 . 1 1 37 37 PHE HE1 H 1 7.031 0.022 . 3 . . . . . . . . 6401 1 349 . 1 1 38 38 VAL CA C 13 67.319 0.079 . 1 . . . . . . . . 6401 1 350 . 1 1 38 38 VAL CB C 13 31.228 0.067 . 1 . . . . . . . . 6401 1 351 . 1 1 38 38 VAL CG1 C 13 23.464 0.062 . 2 . . . . . . . . 6401 1 352 . 1 1 38 38 VAL CG2 C 13 21.820 0.088 . 2 . . . . . . . . 6401 1 353 . 1 1 38 38 VAL HA H 1 2.934 0.012 . 1 . . . . . . . . 6401 1 354 . 1 1 38 38 VAL HB H 1 1.999 0.011 . 1 . . . . . . . . 6401 1 355 . 1 1 38 38 VAL H H 1 8.166 0.021 . 1 . . . . . . . . 6401 1 356 . 1 1 38 38 VAL N N 15 121.484 0.108 . 1 . . . . . . . . 6401 1 357 . 1 1 38 38 VAL HG11 H 1 0.192 0.008 . 2 . . . . . . . . 6401 1 358 . 1 1 38 38 VAL HG12 H 1 0.192 0.008 . 2 . . . . . . . . 6401 1 359 . 1 1 38 38 VAL HG13 H 1 0.192 0.008 . 2 . . . . . . . . 6401 1 360 . 1 1 38 38 VAL HG21 H 1 0.523 0.015 . 2 . . . . . . . . 6401 1 361 . 1 1 38 38 VAL HG22 H 1 0.523 0.015 . 2 . . . . . . . . 6401 1 362 . 1 1 38 38 VAL HG23 H 1 0.523 0.015 . 2 . . . . . . . . 6401 1 363 . 1 1 39 39 LYS CA C 13 59.033 0.109 . 1 . . . . . . . . 6401 1 364 . 1 1 39 39 LYS CB C 13 31.603 0.054 . 1 . . . . . . . . 6401 1 365 . 1 1 39 39 LYS CD C 13 29.283 0.000 . 1 . . . . . . . . 6401 1 366 . 1 1 39 39 LYS CG C 13 25.527 0.025 . 1 . . . . . . . . 6401 1 367 . 1 1 39 39 LYS HA H 1 3.738 0.007 . 1 . . . . . . . . 6401 1 368 . 1 1 39 39 LYS H H 1 7.694 0.010 . 1 . . . . . . . . 6401 1 369 . 1 1 39 39 LYS N N 15 119.821 0.059 . 1 . . . . . . . . 6401 1 370 . 1 1 39 39 LYS HB2 H 1 1.774 0.011 . 2 . . . . . . . . 6401 1 371 . 1 1 39 39 LYS HG2 H 1 1.518 0.006 . 2 . . . . . . . . 6401 1 372 . 1 1 40 40 ASP CA C 13 56.986 0.073 . 1 . . . . . . . . 6401 1 373 . 1 1 40 40 ASP CB C 13 41.399 0.055 . 1 . . . . . . . . 6401 1 374 . 1 1 40 40 ASP HA H 1 4.161 0.011 . 1 . . . . . . . . 6401 1 375 . 1 1 40 40 ASP HB2 H 1 2.462 0.011 . 2 . . . . . . . . 6401 1 376 . 1 1 40 40 ASP HB3 H 1 2.401 0.005 . 2 . . . . . . . . 6401 1 377 . 1 1 40 40 ASP H H 1 7.514 0.007 . 1 . . . . . . . . 6401 1 378 . 1 1 40 40 ASP N N 15 116.348 0.063 . 1 . . . . . . . . 6401 1 379 . 1 1 41 41 THR CA C 13 64.096 0.099 . 1 . . . . . . . . 6401 1 380 . 1 1 41 41 THR CB C 13 70.026 0.142 . 1 . . . . . . . . 6401 1 381 . 1 1 41 41 THR CG2 C 13 22.055 0.076 . 1 . . . . . . . . 6401 1 382 . 1 1 41 41 THR HA H 1 3.795 0.014 . 1 . . . . . . . . 6401 1 383 . 1 1 41 41 THR HB H 1 3.584 0.009 . 1 . . . . . . . . 6401 1 384 . 1 1 41 41 THR H H 1 7.477 0.013 . 1 . . . . . . . . 6401 1 385 . 1 1 41 41 THR N N 15 109.470 0.163 . 1 . . . . . . . . 6401 1 386 . 1 1 41 41 THR HG21 H 1 0.430 0.023 . 1 . . . . . . . . 6401 1 387 . 1 1 41 41 THR HG22 H 1 0.430 0.023 . 1 . . . . . . . . 6401 1 388 . 1 1 41 41 THR HG23 H 1 0.430 0.023 . 1 . . . . . . . . 6401 1 389 . 1 1 42 42 CYS CA C 13 55.575 0.150 . 1 . . . . . . . . 6401 1 390 . 1 1 42 42 CYS CB C 13 27.941 0.060 . 1 . . . . . . . . 6401 1 391 . 1 1 42 42 CYS HA H 1 4.301 0.016 . 1 . . . . . . . . 6401 1 392 . 1 1 42 42 CYS HB2 H 1 2.557 0.017 . 2 . . . . . . . . 6401 1 393 . 1 1 42 42 CYS HB3 H 1 1.017 0.009 . 2 . . . . . . . . 6401 1 394 . 1 1 42 42 CYS H H 1 8.247 0.017 . 1 . . . . . . . . 6401 1 395 . 1 1 42 42 CYS N N 15 118.173 0.078 . 1 . . . . . . . . 6401 1 396 . 1 1 43 43 PRO CA C 13 65.328 0.067 . 1 . . . . . . . . 6401 1 397 . 1 1 43 43 PRO CB C 13 31.243 0.023 . 1 . . . . . . . . 6401 1 398 . 1 1 43 43 PRO CD C 13 50.359 0.062 . 1 . . . . . . . . 6401 1 399 . 1 1 43 43 PRO CG C 13 27.466 0.105 . 1 . . . . . . . . 6401 1 400 . 1 1 43 43 PRO HA H 1 4.311 0.005 . 1 . . . . . . . . 6401 1 401 . 1 1 43 43 PRO HB2 H 1 2.382 0.013 . 2 . . . . . . . . 6401 1 402 . 1 1 43 43 PRO HB3 H 1 1.967 0.015 . 2 . . . . . . . . 6401 1 403 . 1 1 43 43 PRO HD2 H 1 3.525 0.009 . 2 . . . . . . . . 6401 1 404 . 1 1 43 43 PRO HG2 H 1 2.031 0.007 . 2 . . . . . . . . 6401 1 405 . 1 1 44 44 TRP CA C 13 53.682 0.089 . 1 . . . . . . . . 6401 1 406 . 1 1 44 44 TRP CB C 13 29.271 0.038 . 1 . . . . . . . . 6401 1 407 . 1 1 44 44 TRP HA H 1 4.313 0.007 . 1 . . . . . . . . 6401 1 408 . 1 1 44 44 TRP HB2 H 1 3.544 0.019 . 2 . . . . . . . . 6401 1 409 . 1 1 44 44 TRP HB3 H 1 3.125 0.017 . 2 . . . . . . . . 6401 1 410 . 1 1 44 44 TRP HD1 H 1 6.965 0.015 . 1 . . . . . . . . 6401 1 411 . 1 1 44 44 TRP HH2 H 1 6.523 0.000 . 1 . . . . . . . . 6401 1 412 . 1 1 44 44 TRP H H 1 6.294 0.016 . 1 . . . . . . . . 6401 1 413 . 1 1 44 44 TRP HZ3 H 1 6.779 0.010 . 1 . . . . . . . . 6401 1 414 . 1 1 44 44 TRP N N 15 112.956 0.058 . 1 . . . . . . . . 6401 1 415 . 1 1 44 44 TRP HE1 H 1 9.972 0.000 . 1 . . . . . . . . 6401 1 416 . 1 1 45 45 PHE CA C 13 56.400 0.028 . 1 . . . . . . . . 6401 1 417 . 1 1 45 45 PHE CB C 13 37.811 0.080 . 1 . . . . . . . . 6401 1 418 . 1 1 45 45 PHE HA H 1 4.253 0.010 . 1 . . . . . . . . 6401 1 419 . 1 1 45 45 PHE HB2 H 1 2.613 0.026 . 2 . . . . . . . . 6401 1 420 . 1 1 45 45 PHE HB3 H 1 1.688 0.014 . 2 . . . . . . . . 6401 1 421 . 1 1 45 45 PHE H H 1 7.206 0.015 . 1 . . . . . . . . 6401 1 422 . 1 1 45 45 PHE N N 15 126.081 0.054 . 1 . . . . . . . . 6401 1 423 . 1 1 45 45 PHE HD1 H 1 6.588 0.011 . 3 . . . . . . . . 6401 1 424 . 1 1 46 46 PRO CA C 13 62.937 0.124 . 1 . . . . . . . . 6401 1 425 . 1 1 46 46 PRO CB C 13 34.668 0.187 . 1 . . . . . . . . 6401 1 426 . 1 1 46 46 PRO CD C 13 50.550 0.083 . 1 . . . . . . . . 6401 1 427 . 1 1 46 46 PRO CG C 13 27.190 0.000 . 1 . . . . . . . . 6401 1 428 . 1 1 46 46 PRO HA H 1 4.739 0.015 . 1 . . . . . . . . 6401 1 429 . 1 1 46 46 PRO HB2 H 1 2.299 0.017 . 2 . . . . . . . . 6401 1 430 . 1 1 46 46 PRO HB3 H 1 2.030 0.012 . 2 . . . . . . . . 6401 1 431 . 1 1 46 46 PRO HD2 H 1 3.824 0.009 . 2 . . . . . . . . 6401 1 432 . 1 1 46 46 PRO HD3 H 1 2.634 0.014 . 2 . . . . . . . . 6401 1 433 . 1 1 46 46 PRO HG2 H 1 1.944 0.005 . 2 . . . . . . . . 6401 1 434 . 1 1 47 47 GLN CA C 13 56.575 0.068 . 1 . . . . . . . . 6401 1 435 . 1 1 47 47 GLN CB C 13 29.997 0.082 . 1 . . . . . . . . 6401 1 436 . 1 1 47 47 GLN CG C 13 36.171 0.053 . 1 . . . . . . . . 6401 1 437 . 1 1 47 47 GLN HA H 1 4.222 0.012 . 1 . . . . . . . . 6401 1 438 . 1 1 47 47 GLN H H 1 8.537 0.010 . 1 . . . . . . . . 6401 1 439 . 1 1 47 47 GLN N N 15 119.961 0.058 . 1 . . . . . . . . 6401 1 440 . 1 1 47 47 GLN HB2 H 1 1.983 0.008 . 2 . . . . . . . . 6401 1 441 . 1 1 47 47 GLN HG2 H 1 2.255 0.018 . 2 . . . . . . . . 6401 1 442 . 1 1 48 48 GLU CA C 13 56.212 0.162 . 1 . . . . . . . . 6401 1 443 . 1 1 48 48 GLU CB C 13 32.917 0.060 . 1 . . . . . . . . 6401 1 444 . 1 1 48 48 GLU HA H 1 4.277 0.009 . 1 . . . . . . . . 6401 1 445 . 1 1 48 48 GLU H H 1 8.204 0.012 . 1 . . . . . . . . 6401 1 446 . 1 1 48 48 GLU N N 15 122.037 0.127 . 1 . . . . . . . . 6401 1 447 . 1 1 49 49 GLY CA C 13 43.567 0.075 . 1 . . . . . . . . 6401 1 448 . 1 1 49 49 GLY H H 1 7.918 0.020 . 1 . . . . . . . . 6401 1 449 . 1 1 49 49 GLY HA2 H 1 3.848 0.015 . 2 . . . . . . . . 6401 1 450 . 1 1 50 50 THR CA C 13 61.718 0.060 . 1 . . . . . . . . 6401 1 451 . 1 1 50 50 THR CB C 13 69.943 0.206 . 1 . . . . . . . . 6401 1 452 . 1 1 50 50 THR CG2 C 13 21.686 0.015 . 1 . . . . . . . . 6401 1 453 . 1 1 50 50 THR HA H 1 4.168 0.008 . 1 . . . . . . . . 6401 1 454 . 1 1 50 50 THR HB H 1 3.947 0.013 . 1 . . . . . . . . 6401 1 455 . 1 1 50 50 THR H H 1 8.612 0.004 . 1 . . . . . . . . 6401 1 456 . 1 1 50 50 THR N N 15 119.691 0.056 . 1 . . . . . . . . 6401 1 457 . 1 1 50 50 THR HG21 H 1 1.104 0.005 . 1 . . . . . . . . 6401 1 458 . 1 1 50 50 THR HG22 H 1 1.104 0.005 . 1 . . . . . . . . 6401 1 459 . 1 1 50 50 THR HG23 H 1 1.104 0.005 . 1 . . . . . . . . 6401 1 460 . 1 1 51 51 ILE CA C 13 62.618 0.212 . 1 . . . . . . . . 6401 1 461 . 1 1 51 51 ILE CB C 13 38.688 0.124 . 1 . . . . . . . . 6401 1 462 . 1 1 51 51 ILE CD1 C 13 13.872 0.124 . 1 . . . . . . . . 6401 1 463 . 1 1 51 51 ILE CG1 C 13 28.045 0.147 . 1 . . . . . . . . 6401 1 464 . 1 1 51 51 ILE CG2 C 13 18.564 0.188 . 1 . . . . . . . . 6401 1 465 . 1 1 51 51 ILE HA H 1 4.142 0.009 . 1 . . . . . . . . 6401 1 466 . 1 1 51 51 ILE HB H 1 1.573 0.020 . 1 . . . . . . . . 6401 1 467 . 1 1 51 51 ILE H H 1 8.460 0.014 . 1 . . . . . . . . 6401 1 468 . 1 1 51 51 ILE N N 15 125.372 0.039 . 1 . . . . . . . . 6401 1 469 . 1 1 51 51 ILE HD11 H 1 0.461 0.013 . 1 . . . . . . . . 6401 1 470 . 1 1 51 51 ILE HD12 H 1 0.461 0.013 . 1 . . . . . . . . 6401 1 471 . 1 1 51 51 ILE HD13 H 1 0.461 0.013 . 1 . . . . . . . . 6401 1 472 . 1 1 51 51 ILE HG12 H 1 1.225 0.009 . 2 . . . . . . . . 6401 1 473 . 1 1 51 51 ILE HG13 H 1 0.732 0.007 . 2 . . . . . . . . 6401 1 474 . 1 1 52 52 ASP CA C 13 53.164 0.041 . 1 . . . . . . . . 6401 1 475 . 1 1 52 52 ASP CB C 13 43.830 0.046 . 1 . . . . . . . . 6401 1 476 . 1 1 52 52 ASP HA H 1 4.775 0.010 . 1 . . . . . . . . 6401 1 477 . 1 1 52 52 ASP HB2 H 1 2.814 0.006 . 2 . . . . . . . . 6401 1 478 . 1 1 52 52 ASP HB3 H 1 2.692 0.009 . 2 . . . . . . . . 6401 1 479 . 1 1 52 52 ASP H H 1 8.748 0.014 . 1 . . . . . . . . 6401 1 480 . 1 1 52 52 ASP N N 15 128.017 0.075 . 1 . . . . . . . . 6401 1 481 . 1 1 53 53 ILE CA C 13 62.919 0.026 . 1 . . . . . . . . 6401 1 482 . 1 1 53 53 ILE CB C 13 38.437 0.126 . 1 . . . . . . . . 6401 1 483 . 1 1 53 53 ILE CD1 C 13 14.483 0.064 . 1 . . . . . . . . 6401 1 484 . 1 1 53 53 ILE CG1 C 13 29.429 0.089 . 1 . . . . . . . . 6401 1 485 . 1 1 53 53 ILE CG2 C 13 18.510 0.137 . 1 . . . . . . . . 6401 1 486 . 1 1 53 53 ILE HA H 1 4.167 0.006 . 1 . . . . . . . . 6401 1 487 . 1 1 53 53 ILE HB H 1 1.934 0.007 . 1 . . . . . . . . 6401 1 488 . 1 1 53 53 ILE H H 1 9.030 0.012 . 1 . . . . . . . . 6401 1 489 . 1 1 53 53 ILE N N 15 127.863 0.059 . 1 . . . . . . . . 6401 1 490 . 1 1 53 53 ILE HD11 H 1 1.005 0.007 . 1 . . . . . . . . 6401 1 491 . 1 1 53 53 ILE HD12 H 1 1.005 0.007 . 1 . . . . . . . . 6401 1 492 . 1 1 53 53 ILE HD13 H 1 1.005 0.007 . 1 . . . . . . . . 6401 1 493 . 1 1 53 53 ILE HG12 H 1 1.492 0.008 . 2 . . . . . . . . 6401 1 494 . 1 1 53 53 ILE HG13 H 1 1.045 0.007 . 2 . . . . . . . . 6401 1 495 . 1 1 54 54 LYS CA C 13 60.181 0.071 . 1 . . . . . . . . 6401 1 496 . 1 1 54 54 LYS CB C 13 31.660 0.083 . 1 . . . . . . . . 6401 1 497 . 1 1 54 54 LYS HA H 1 4.123 0.006 . 1 . . . . . . . . 6401 1 498 . 1 1 54 54 LYS HB2 H 1 1.961 0.012 . 2 . . . . . . . . 6401 1 499 . 1 1 54 54 LYS HB3 H 1 1.752 0.015 . 2 . . . . . . . . 6401 1 500 . 1 1 54 54 LYS HG2 H 1 1.507 0.007 . 2 . . . . . . . . 6401 1 501 . 1 1 54 54 LYS HG3 H 1 1.307 0.017 . 2 . . . . . . . . 6401 1 502 . 1 1 54 54 LYS H H 1 8.553 0.015 . 1 . . . . . . . . 6401 1 503 . 1 1 54 54 LYS N N 15 122.663 0.041 . 1 . . . . . . . . 6401 1 504 . 1 1 55 55 PHE CA C 13 60.089 0.056 . 1 . . . . . . . . 6401 1 505 . 1 1 55 55 PHE CB C 13 39.149 0.076 . 1 . . . . . . . . 6401 1 506 . 1 1 55 55 PHE HA H 1 4.769 0.012 . 1 . . . . . . . . 6401 1 507 . 1 1 55 55 PHE HB2 H 1 3.721 0.012 . 2 . . . . . . . . 6401 1 508 . 1 1 55 55 PHE HB3 H 1 3.945 0.011 . 2 . . . . . . . . 6401 1 509 . 1 1 55 55 PHE H H 1 8.108 0.008 . 1 . . . . . . . . 6401 1 510 . 1 1 55 55 PHE N N 15 119.260 0.071 . 1 . . . . . . . . 6401 1 511 . 1 1 55 55 PHE HD1 H 1 7.535 0.034 . 3 . . . . . . . . 6401 1 512 . 1 1 55 55 PHE HE1 H 1 7.467 0.010 . 3 . . . . . . . . 6401 1 513 . 1 1 56 56 TRP CA C 13 60.004 0.090 . 1 . . . . . . . . 6401 1 514 . 1 1 56 56 TRP CB C 13 30.757 0.095 . 1 . . . . . . . . 6401 1 515 . 1 1 56 56 TRP HA H 1 4.748 0.015 . 1 . . . . . . . . 6401 1 516 . 1 1 56 56 TRP HB2 H 1 3.275 0.013 . 2 . . . . . . . . 6401 1 517 . 1 1 56 56 TRP HB3 H 1 3.321 0.007 . 2 . . . . . . . . 6401 1 518 . 1 1 56 56 TRP HD1 H 1 7.132 0.020 . 1 . . . . . . . . 6401 1 519 . 1 1 56 56 TRP H H 1 9.233 0.017 . 1 . . . . . . . . 6401 1 520 . 1 1 56 56 TRP N N 15 121.526 0.063 . 1 . . . . . . . . 6401 1 521 . 1 1 56 56 TRP HZ2 H 1 6.676 0.009 . 1 . . . . . . . . 6401 1 522 . 1 1 57 57 ARG CA C 13 60.744 0.047 . 1 . . . . . . . . 6401 1 523 . 1 1 57 57 ARG CB C 13 30.219 0.056 . 1 . . . . . . . . 6401 1 524 . 1 1 57 57 ARG CD C 13 43.720 0.037 . 1 . . . . . . . . 6401 1 525 . 1 1 57 57 ARG CG C 13 28.348 0.047 . 1 . . . . . . . . 6401 1 526 . 1 1 57 57 ARG HA H 1 4.360 0.007 . 1 . . . . . . . . 6401 1 527 . 1 1 57 57 ARG HD2 H 1 3.304 0.011 . 2 . . . . . . . . 6401 1 528 . 1 1 57 57 ARG HD3 H 1 3.221 0.010 . 2 . . . . . . . . 6401 1 529 . 1 1 57 57 ARG HG2 H 1 2.016 0.009 . 2 . . . . . . . . 6401 1 530 . 1 1 57 57 ARG HG3 H 1 1.840 0.007 . 2 . . . . . . . . 6401 1 531 . 1 1 57 57 ARG H H 1 9.063 0.013 . 1 . . . . . . . . 6401 1 532 . 1 1 57 57 ARG N N 15 120.128 0.063 . 1 . . . . . . . . 6401 1 533 . 1 1 57 57 ARG HB2 H 1 2.129 0.005 . 2 . . . . . . . . 6401 1 534 . 1 1 58 58 ARG CA C 13 59.780 0.037 . 1 . . . . . . . . 6401 1 535 . 1 1 58 58 ARG CB C 13 30.255 0.128 . 1 . . . . . . . . 6401 1 536 . 1 1 58 58 ARG CD C 13 43.665 0.103 . 1 . . . . . . . . 6401 1 537 . 1 1 58 58 ARG CG C 13 27.458 0.084 . 1 . . . . . . . . 6401 1 538 . 1 1 58 58 ARG HA H 1 4.181 0.011 . 1 . . . . . . . . 6401 1 539 . 1 1 58 58 ARG HD2 H 1 2.804 0.010 . 2 . . . . . . . . 6401 1 540 . 1 1 58 58 ARG HD3 H 1 2.442 0.016 . 2 . . . . . . . . 6401 1 541 . 1 1 58 58 ARG HG2 H 1 1.778 0.007 . 2 . . . . . . . . 6401 1 542 . 1 1 58 58 ARG HG3 H 1 1.522 0.012 . 2 . . . . . . . . 6401 1 543 . 1 1 58 58 ARG H H 1 7.381 0.008 . 1 . . . . . . . . 6401 1 544 . 1 1 58 58 ARG N N 15 119.909 0.050 . 1 . . . . . . . . 6401 1 545 . 1 1 58 58 ARG HB2 H 1 2.090 0.010 . 2 . . . . . . . . 6401 1 546 . 1 1 59 59 VAL CA C 13 66.260 0.106 . 1 . . . . . . . . 6401 1 547 . 1 1 59 59 VAL CB C 13 31.553 0.083 . 1 . . . . . . . . 6401 1 548 . 1 1 59 59 VAL CG1 C 13 22.851 0.135 . 2 . . . . . . . . 6401 1 549 . 1 1 59 59 VAL CG2 C 13 20.858 0.087 . 2 . . . . . . . . 6401 1 550 . 1 1 59 59 VAL HA H 1 3.637 0.013 . 1 . . . . . . . . 6401 1 551 . 1 1 59 59 VAL HB H 1 1.454 0.010 . 1 . . . . . . . . 6401 1 552 . 1 1 59 59 VAL H H 1 8.211 0.011 . 1 . . . . . . . . 6401 1 553 . 1 1 59 59 VAL N N 15 122.122 0.099 . 1 . . . . . . . . 6401 1 554 . 1 1 59 59 VAL HG11 H 1 0.566 0.011 . 2 . . . . . . . . 6401 1 555 . 1 1 59 59 VAL HG12 H 1 0.566 0.011 . 2 . . . . . . . . 6401 1 556 . 1 1 59 59 VAL HG13 H 1 0.566 0.011 . 2 . . . . . . . . 6401 1 557 . 1 1 59 59 VAL HG21 H 1 -0.511 0.009 . 2 . . . . . . . . 6401 1 558 . 1 1 59 59 VAL HG22 H 1 -0.511 0.009 . 2 . . . . . . . . 6401 1 559 . 1 1 59 59 VAL HG23 H 1 -0.511 0.009 . 2 . . . . . . . . 6401 1 560 . 1 1 60 60 GLY CA C 13 46.376 0.051 . 1 . . . . . . . . 6401 1 561 . 1 1 60 60 GLY HA2 H 1 1.988 0.014 . 2 . . . . . . . . 6401 1 562 . 1 1 60 60 GLY HA3 H 1 2.503 0.012 . 2 . . . . . . . . 6401 1 563 . 1 1 60 60 GLY H H 1 7.426 0.011 . 1 . . . . . . . . 6401 1 564 . 1 1 60 60 GLY N N 15 106.016 0.074 . 1 . . . . . . . . 6401 1 565 . 1 1 61 61 ASP CA C 13 57.220 0.059 . 1 . . . . . . . . 6401 1 566 . 1 1 61 61 ASP CB C 13 40.171 0.050 . 1 . . . . . . . . 6401 1 567 . 1 1 61 61 ASP HA H 1 4.242 0.006 . 1 . . . . . . . . 6401 1 568 . 1 1 61 61 ASP H H 1 7.852 0.022 . 1 . . . . . . . . 6401 1 569 . 1 1 61 61 ASP N N 15 122.332 0.037 . 1 . . . . . . . . 6401 1 570 . 1 1 61 61 ASP HB2 H 1 2.697 0.007 . 2 . . . . . . . . 6401 1 571 . 1 1 62 62 CYS CA C 13 62.492 0.079 . 1 . . . . . . . . 6401 1 572 . 1 1 62 62 CYS CB C 13 26.808 0.059 . 1 . . . . . . . . 6401 1 573 . 1 1 62 62 CYS HA H 1 4.222 0.008 . 1 . . . . . . . . 6401 1 574 . 1 1 62 62 CYS HB2 H 1 3.164 0.011 . 2 . . . . . . . . 6401 1 575 . 1 1 62 62 CYS HB3 H 1 2.904 0.011 . 2 . . . . . . . . 6401 1 576 . 1 1 62 62 CYS H H 1 7.960 0.008 . 1 . . . . . . . . 6401 1 577 . 1 1 62 62 CYS N N 15 120.653 0.062 . 1 . . . . . . . . 6401 1 578 . 1 1 63 63 PHE CA C 13 58.238 0.091 . 1 . . . . . . . . 6401 1 579 . 1 1 63 63 PHE CB C 13 37.181 0.081 . 1 . . . . . . . . 6401 1 580 . 1 1 63 63 PHE HA H 1 4.283 0.007 . 1 . . . . . . . . 6401 1 581 . 1 1 63 63 PHE HB2 H 1 3.230 0.011 . 2 . . . . . . . . 6401 1 582 . 1 1 63 63 PHE HB3 H 1 2.689 0.011 . 2 . . . . . . . . 6401 1 583 . 1 1 63 63 PHE H H 1 8.619 0.013 . 1 . . . . . . . . 6401 1 584 . 1 1 63 63 PHE N N 15 119.732 0.073 . 1 . . . . . . . . 6401 1 585 . 1 1 63 63 PHE HD1 H 1 6.440 0.063 . 3 . . . . . . . . 6401 1 586 . 1 1 63 63 PHE HE1 H 1 7.033 0.011 . 3 . . . . . . . . 6401 1 587 . 1 1 64 64 GLN CA C 13 59.516 0.051 . 1 . . . . . . . . 6401 1 588 . 1 1 64 64 GLN CB C 13 28.778 0.065 . 1 . . . . . . . . 6401 1 589 . 1 1 64 64 GLN CG C 13 34.024 0.056 . 1 . . . . . . . . 6401 1 590 . 1 1 64 64 GLN HA H 1 4.122 0.009 . 1 . . . . . . . . 6401 1 591 . 1 1 64 64 GLN H H 1 8.085 0.019 . 1 . . . . . . . . 6401 1 592 . 1 1 64 64 GLN N N 15 118.425 0.053 . 1 . . . . . . . . 6401 1 593 . 1 1 64 64 GLN HB2 H 1 2.184 0.012 . 2 . . . . . . . . 6401 1 594 . 1 1 64 64 GLN HG2 H 1 2.367 0.017 . 2 . . . . . . . . 6401 1 595 . 1 1 65 65 ASP CA C 13 57.765 0.126 . 1 . . . . . . . . 6401 1 596 . 1 1 65 65 ASP CB C 13 41.257 0.064 . 1 . . . . . . . . 6401 1 597 . 1 1 65 65 ASP HA H 1 4.480 0.007 . 1 . . . . . . . . 6401 1 598 . 1 1 65 65 ASP HB2 H 1 2.814 0.008 . 2 . . . . . . . . 6401 1 599 . 1 1 65 65 ASP HB3 H 1 2.752 0.004 . 2 . . . . . . . . 6401 1 600 . 1 1 65 65 ASP H H 1 8.221 0.013 . 1 . . . . . . . . 6401 1 601 . 1 1 65 65 ASP N N 15 119.943 0.068 . 1 . . . . . . . . 6401 1 602 . 1 1 66 66 TYR CA C 13 61.543 0.105 . 1 . . . . . . . . 6401 1 603 . 1 1 66 66 TYR CB C 13 38.629 0.082 . 1 . . . . . . . . 6401 1 604 . 1 1 66 66 TYR HA H 1 4.447 0.011 . 1 . . . . . . . . 6401 1 605 . 1 1 66 66 TYR HB2 H 1 3.322 0.011 . 2 . . . . . . . . 6401 1 606 . 1 1 66 66 TYR HB3 H 1 3.096 0.007 . 2 . . . . . . . . 6401 1 607 . 1 1 66 66 TYR H H 1 8.886 0.016 . 1 . . . . . . . . 6401 1 608 . 1 1 66 66 TYR N N 15 121.495 0.127 . 1 . . . . . . . . 6401 1 609 . 1 1 66 66 TYR HD1 H 1 7.183 0.013 . 3 . . . . . . . . 6401 1 610 . 1 1 67 67 TYR CA C 13 61.818 0.058 . 1 . . . . . . . . 6401 1 611 . 1 1 67 67 TYR CB C 13 39.246 0.095 . 1 . . . . . . . . 6401 1 612 . 1 1 67 67 TYR HA H 1 3.990 0.020 . 1 . . . . . . . . 6401 1 613 . 1 1 67 67 TYR HB2 H 1 3.417 0.015 . 2 . . . . . . . . 6401 1 614 . 1 1 67 67 TYR HB3 H 1 3.198 0.008 . 2 . . . . . . . . 6401 1 615 . 1 1 67 67 TYR H H 1 8.970 0.015 . 1 . . . . . . . . 6401 1 616 . 1 1 67 67 TYR N N 15 121.971 0.125 . 1 . . . . . . . . 6401 1 617 . 1 1 67 67 TYR HD1 H 1 6.969 0.021 . 3 . . . . . . . . 6401 1 618 . 1 1 68 68 ASN CA C 13 55.589 0.100 . 1 . . . . . . . . 6401 1 619 . 1 1 68 68 ASN CB C 13 38.352 0.090 . 1 . . . . . . . . 6401 1 620 . 1 1 68 68 ASN HA H 1 4.360 0.013 . 1 . . . . . . . . 6401 1 621 . 1 1 68 68 ASN HB2 H 1 3.075 0.015 . 2 . . . . . . . . 6401 1 622 . 1 1 68 68 ASN HB3 H 1 2.852 0.006 . 2 . . . . . . . . 6401 1 623 . 1 1 68 68 ASN H H 1 8.774 0.017 . 1 . . . . . . . . 6401 1 624 . 1 1 68 68 ASN N N 15 118.067 0.087 . 1 . . . . . . . . 6401 1 625 . 1 1 69 69 THR CA C 13 65.774 0.118 . 1 . . . . . . . . 6401 1 626 . 1 1 69 69 THR CB C 13 69.745 0.133 . 1 . . . . . . . . 6401 1 627 . 1 1 69 69 THR CG2 C 13 20.782 0.069 . 1 . . . . . . . . 6401 1 628 . 1 1 69 69 THR HA H 1 3.812 0.005 . 1 . . . . . . . . 6401 1 629 . 1 1 69 69 THR HB H 1 3.564 0.018 . 1 . . . . . . . . 6401 1 630 . 1 1 69 69 THR H H 1 7.947 0.012 . 1 . . . . . . . . 6401 1 631 . 1 1 69 69 THR N N 15 114.475 0.031 . 1 . . . . . . . . 6401 1 632 . 1 1 69 69 THR HG21 H 1 0.246 0.011 . 1 . . . . . . . . 6401 1 633 . 1 1 69 69 THR HG22 H 1 0.246 0.011 . 1 . . . . . . . . 6401 1 634 . 1 1 69 69 THR HG23 H 1 0.246 0.011 . 1 . . . . . . . . 6401 1 635 . 1 1 70 70 PHE CA C 13 59.011 0.109 . 1 . . . . . . . . 6401 1 636 . 1 1 70 70 PHE CB C 13 40.934 0.110 . 1 . . . . . . . . 6401 1 637 . 1 1 70 70 PHE HA H 1 4.537 0.013 . 1 . . . . . . . . 6401 1 638 . 1 1 70 70 PHE HB2 H 1 3.084 0.007 . 2 . . . . . . . . 6401 1 639 . 1 1 70 70 PHE HB3 H 1 2.540 0.014 . 2 . . . . . . . . 6401 1 640 . 1 1 70 70 PHE H H 1 8.519 0.012 . 1 . . . . . . . . 6401 1 641 . 1 1 70 70 PHE N N 15 117.814 0.052 . 1 . . . . . . . . 6401 1 642 . 1 1 70 70 PHE HD1 H 1 7.019 0.024 . 3 . . . . . . . . 6401 1 643 . 1 1 71 71 GLY CA C 13 45.086 0.082 . 1 . . . . . . . . 6401 1 644 . 1 1 71 71 GLY HA2 H 1 3.502 0.010 . 2 . . . . . . . . 6401 1 645 . 1 1 71 71 GLY HA3 H 1 4.270 0.006 . 2 . . . . . . . . 6401 1 646 . 1 1 71 71 GLY H H 1 7.786 0.016 . 1 . . . . . . . . 6401 1 647 . 1 1 71 71 GLY N N 15 108.952 0.063 . 1 . . . . . . . . 6401 1 648 . 1 1 72 72 PRO CA C 13 64.034 0.068 . 1 . . . . . . . . 6401 1 649 . 1 1 72 72 PRO CB C 13 32.173 0.087 . 1 . . . . . . . . 6401 1 650 . 1 1 72 72 PRO CD C 13 50.313 0.053 . 1 . . . . . . . . 6401 1 651 . 1 1 72 72 PRO CG C 13 27.335 0.106 . 1 . . . . . . . . 6401 1 652 . 1 1 72 72 PRO HA H 1 4.371 0.009 . 1 . . . . . . . . 6401 1 653 . 1 1 72 72 PRO HB2 H 1 2.373 0.008 . 2 . . . . . . . . 6401 1 654 . 1 1 72 72 PRO HB3 H 1 1.995 0.010 . 2 . . . . . . . . 6401 1 655 . 1 1 72 72 PRO HG2 H 1 1.930 0.000 . 2 . . . . . . . . 6401 1 656 . 1 1 72 72 PRO HD2 H 1 3.218 0.011 . 2 . . . . . . . . 6401 1 657 . 1 1 72 72 PRO HG3 H 1 1.984 0.004 . 2 . . . . . . . . 6401 1 658 . 1 1 73 73 GLU CA C 13 58.797 0.059 . 1 . . . . . . . . 6401 1 659 . 1 1 73 73 GLU CB C 13 29.280 0.041 . 1 . . . . . . . . 6401 1 660 . 1 1 73 73 GLU CG C 13 36.812 0.111 . 1 . . . . . . . . 6401 1 661 . 1 1 73 73 GLU HA H 1 4.026 0.012 . 1 . . . . . . . . 6401 1 662 . 1 1 73 73 GLU H H 1 8.642 0.008 . 1 . . . . . . . . 6401 1 663 . 1 1 73 73 GLU N N 15 116.822 0.084 . 1 . . . . . . . . 6401 1 664 . 1 1 73 73 GLU HB2 H 1 1.975 0.011 . 2 . . . . . . . . 6401 1 665 . 1 1 73 73 GLU HG2 H 1 2.234 0.011 . 2 . . . . . . . . 6401 1 666 . 1 1 74 74 LYS CA C 13 55.435 0.102 . 1 . . . . . . . . 6401 1 667 . 1 1 74 74 LYS CB C 13 33.819 0.058 . 1 . . . . . . . . 6401 1 668 . 1 1 74 74 LYS CD C 13 28.302 0.122 . 1 . . . . . . . . 6401 1 669 . 1 1 74 74 LYS CE C 13 42.057 0.048 . 1 . . . . . . . . 6401 1 670 . 1 1 74 74 LYS CG C 13 25.364 0.065 . 1 . . . . . . . . 6401 1 671 . 1 1 74 74 LYS HA H 1 4.323 0.011 . 1 . . . . . . . . 6401 1 672 . 1 1 74 74 LYS HB2 H 1 2.003 0.010 . 2 . . . . . . . . 6401 1 673 . 1 1 74 74 LYS HB3 H 1 1.585 0.013 . 2 . . . . . . . . 6401 1 674 . 1 1 74 74 LYS HD2 H 1 1.510 0.008 . 2 . . . . . . . . 6401 1 675 . 1 1 74 74 LYS HD3 H 1 1.338 0.007 . 2 . . . . . . . . 6401 1 676 . 1 1 74 74 LYS HG2 H 1 1.307 0.009 . 2 . . . . . . . . 6401 1 677 . 1 1 74 74 LYS HG3 H 1 1.230 0.006 . 2 . . . . . . . . 6401 1 678 . 1 1 74 74 LYS H H 1 7.468 0.013 . 1 . . . . . . . . 6401 1 679 . 1 1 74 74 LYS N N 15 116.330 0.095 . 1 . . . . . . . . 6401 1 680 . 1 1 74 74 LYS HE2 H 1 2.505 0.013 . 2 . . . . . . . . 6401 1 681 . 1 1 75 75 VAL CA C 13 58.928 0.075 . 1 . . . . . . . . 6401 1 682 . 1 1 75 75 VAL CB C 13 33.782 0.071 . 1 . . . . . . . . 6401 1 683 . 1 1 75 75 VAL CG1 C 13 21.734 0.053 . 2 . . . . . . . . 6401 1 684 . 1 1 75 75 VAL CG2 C 13 21.307 0.115 . 2 . . . . . . . . 6401 1 685 . 1 1 75 75 VAL HA H 1 4.248 0.008 . 1 . . . . . . . . 6401 1 686 . 1 1 75 75 VAL HB H 1 2.101 0.010 . 1 . . . . . . . . 6401 1 687 . 1 1 75 75 VAL H H 1 7.227 0.011 . 1 . . . . . . . . 6401 1 688 . 1 1 75 75 VAL N N 15 118.197 0.092 . 1 . . . . . . . . 6401 1 689 . 1 1 75 75 VAL HG11 H 1 1.069 0.015 . 2 . . . . . . . . 6401 1 690 . 1 1 75 75 VAL HG12 H 1 1.069 0.015 . 2 . . . . . . . . 6401 1 691 . 1 1 75 75 VAL HG13 H 1 1.069 0.015 . 2 . . . . . . . . 6401 1 692 . 1 1 75 75 VAL HG21 H 1 0.410 0.013 . 2 . . . . . . . . 6401 1 693 . 1 1 75 75 VAL HG22 H 1 0.410 0.013 . 2 . . . . . . . . 6401 1 694 . 1 1 75 75 VAL HG23 H 1 0.410 0.013 . 2 . . . . . . . . 6401 1 695 . 1 1 76 76 PRO CA C 13 62.361 0.119 . 1 . . . . . . . . 6401 1 696 . 1 1 76 76 PRO CB C 13 32.336 0.077 . 1 . . . . . . . . 6401 1 697 . 1 1 76 76 PRO CD C 13 50.417 0.087 . 1 . . . . . . . . 6401 1 698 . 1 1 76 76 PRO CG C 13 27.182 0.064 . 1 . . . . . . . . 6401 1 699 . 1 1 76 76 PRO HA H 1 4.439 0.012 . 1 . . . . . . . . 6401 1 700 . 1 1 76 76 PRO HB2 H 1 2.222 0.007 . 2 . . . . . . . . 6401 1 701 . 1 1 76 76 PRO HB3 H 1 1.659 0.007 . 2 . . . . . . . . 6401 1 702 . 1 1 76 76 PRO HD2 H 1 3.146 0.013 . 2 . . . . . . . . 6401 1 703 . 1 1 76 76 PRO HD3 H 1 2.344 0.026 . 2 . . . . . . . . 6401 1 704 . 1 1 76 76 PRO HG2 H 1 1.634 0.008 . 2 . . . . . . . . 6401 1 705 . 1 1 76 76 PRO HG3 H 1 1.382 0.019 . 2 . . . . . . . . 6401 1 706 . 1 1 77 77 VAL CA C 13 65.711 0.086 . 1 . . . . . . . . 6401 1 707 . 1 1 77 77 VAL CB C 13 31.871 0.071 . 1 . . . . . . . . 6401 1 708 . 1 1 77 77 VAL CG1 C 13 21.147 0.047 . 2 . . . . . . . . 6401 1 709 . 1 1 77 77 VAL HA H 1 3.888 0.009 . 1 . . . . . . . . 6401 1 710 . 1 1 77 77 VAL HB H 1 2.170 0.008 . 1 . . . . . . . . 6401 1 711 . 1 1 77 77 VAL H H 1 8.562 0.010 . 1 . . . . . . . . 6401 1 712 . 1 1 77 77 VAL N N 15 120.430 0.042 . 1 . . . . . . . . 6401 1 713 . 1 1 77 77 VAL HG11 H 1 1.011 0.010 . 2 . . . . . . . . 6401 1 714 . 1 1 77 77 VAL HG12 H 1 1.011 0.010 . 2 . . . . . . . . 6401 1 715 . 1 1 77 77 VAL HG13 H 1 1.011 0.010 . 2 . . . . . . . . 6401 1 716 . 1 1 78 78 THR CA C 13 62.596 0.089 . 1 . . . . . . . . 6401 1 717 . 1 1 78 78 THR CB C 13 68.865 0.061 . 1 . . . . . . . . 6401 1 718 . 1 1 78 78 THR CG2 C 13 22.560 0.076 . 1 . . . . . . . . 6401 1 719 . 1 1 78 78 THR HA H 1 3.965 0.010 . 1 . . . . . . . . 6401 1 720 . 1 1 78 78 THR HB H 1 3.783 0.015 . 1 . . . . . . . . 6401 1 721 . 1 1 78 78 THR H H 1 7.380 0.032 . 1 . . . . . . . . 6401 1 722 . 1 1 78 78 THR N N 15 108.947 0.324 . 1 . . . . . . . . 6401 1 723 . 1 1 78 78 THR HG21 H 1 1.083 0.015 . 1 . . . . . . . . 6401 1 724 . 1 1 78 78 THR HG22 H 1 1.083 0.015 . 1 . . . . . . . . 6401 1 725 . 1 1 78 78 THR HG23 H 1 1.083 0.015 . 1 . . . . . . . . 6401 1 726 . 1 1 79 79 ALA CA C 13 55.758 0.113 . 1 . . . . . . . . 6401 1 727 . 1 1 79 79 ALA CB C 13 17.862 0.126 . 1 . . . . . . . . 6401 1 728 . 1 1 79 79 ALA HA H 1 4.050 0.014 . 1 . . . . . . . . 6401 1 729 . 1 1 79 79 ALA H H 1 7.585 0.017 . 1 . . . . . . . . 6401 1 730 . 1 1 79 79 ALA N N 15 123.224 0.057 . 1 . . . . . . . . 6401 1 731 . 1 1 79 79 ALA HB1 H 1 0.748 0.011 . 1 . . . . . . . . 6401 1 732 . 1 1 79 79 ALA HB2 H 1 0.748 0.011 . 1 . . . . . . . . 6401 1 733 . 1 1 79 79 ALA HB3 H 1 0.748 0.011 . 1 . . . . . . . . 6401 1 734 . 1 1 80 80 PHE CA C 13 61.921 0.036 . 1 . . . . . . . . 6401 1 735 . 1 1 80 80 PHE CB C 13 38.420 0.045 . 1 . . . . . . . . 6401 1 736 . 1 1 80 80 PHE HA H 1 4.416 0.013 . 1 . . . . . . . . 6401 1 737 . 1 1 80 80 PHE HB2 H 1 3.238 0.008 . 2 . . . . . . . . 6401 1 738 . 1 1 80 80 PHE HB3 H 1 2.992 0.007 . 2 . . . . . . . . 6401 1 739 . 1 1 80 80 PHE H H 1 7.530 0.029 . 1 . . . . . . . . 6401 1 740 . 1 1 80 80 PHE N N 15 114.481 0.046 . 1 . . . . . . . . 6401 1 741 . 1 1 80 80 PHE HD1 H 1 7.206 0.019 . 3 . . . . . . . . 6401 1 742 . 1 1 80 80 PHE HE1 H 1 6.971 0.004 . 3 . . . . . . . . 6401 1 743 . 1 1 81 81 SER CA C 13 61.920 0.110 . 1 . . . . . . . . 6401 1 744 . 1 1 81 81 SER CB C 13 62.880 0.224 . 1 . . . . . . . . 6401 1 745 . 1 1 81 81 SER HA H 1 4.327 0.010 . 1 . . . . . . . . 6401 1 746 . 1 1 81 81 SER H H 1 8.017 0.017 . 1 . . . . . . . . 6401 1 747 . 1 1 81 81 SER N N 15 116.312 0.034 . 1 . . . . . . . . 6401 1 748 . 1 1 81 81 SER HB2 H 1 3.791 0.008 . 2 . . . . . . . . 6401 1 749 . 1 1 82 82 TYR CA C 13 60.961 0.099 . 1 . . . . . . . . 6401 1 750 . 1 1 82 82 TYR CB C 13 34.882 0.144 . 1 . . . . . . . . 6401 1 751 . 1 1 82 82 TYR HA H 1 4.026 0.007 . 1 . . . . . . . . 6401 1 752 . 1 1 82 82 TYR HB2 H 1 1.883 0.014 . 2 . . . . . . . . 6401 1 753 . 1 1 82 82 TYR HB3 H 1 1.424 0.013 . 2 . . . . . . . . 6401 1 754 . 1 1 82 82 TYR H H 1 8.221 0.032 . 1 . . . . . . . . 6401 1 755 . 1 1 82 82 TYR N N 15 120.609 0.063 . 1 . . . . . . . . 6401 1 756 . 1 1 82 82 TYR HD1 H 1 6.517 0.011 . 3 . . . . . . . . 6401 1 757 . 1 1 83 83 TRP CA C 13 64.074 0.168 . 1 . . . . . . . . 6401 1 758 . 1 1 83 83 TRP CB C 13 28.901 0.084 . 1 . . . . . . . . 6401 1 759 . 1 1 83 83 TRP HA H 1 4.325 0.012 . 1 . . . . . . . . 6401 1 760 . 1 1 83 83 TRP HB2 H 1 3.779 0.006 . 2 . . . . . . . . 6401 1 761 . 1 1 83 83 TRP HB3 H 1 3.489 0.010 . 2 . . . . . . . . 6401 1 762 . 1 1 83 83 TRP HD1 H 1 7.179 0.009 . 1 . . . . . . . . 6401 1 763 . 1 1 83 83 TRP H H 1 8.463 0.012 . 1 . . . . . . . . 6401 1 764 . 1 1 83 83 TRP N N 15 119.433 0.039 . 1 . . . . . . . . 6401 1 765 . 1 1 84 84 ASN CA C 13 57.259 0.063 . 1 . . . . . . . . 6401 1 766 . 1 1 84 84 ASN CB C 13 39.829 0.041 . 1 . . . . . . . . 6401 1 767 . 1 1 84 84 ASN HA H 1 4.203 0.014 . 1 . . . . . . . . 6401 1 768 . 1 1 84 84 ASN HB2 H 1 3.054 0.018 . 2 . . . . . . . . 6401 1 769 . 1 1 84 84 ASN HB3 H 1 2.827 0.010 . 2 . . . . . . . . 6401 1 770 . 1 1 84 84 ASN H H 1 8.445 0.011 . 1 . . . . . . . . 6401 1 771 . 1 1 84 84 ASN N N 15 118.304 0.071 . 1 . . . . . . . . 6401 1 772 . 1 1 85 85 LEU CA C 13 58.104 0.101 . 1 . . . . . . . . 6401 1 773 . 1 1 85 85 LEU CB C 13 42.574 0.061 . 1 . . . . . . . . 6401 1 774 . 1 1 85 85 LEU CD1 C 13 24.643 0.160 . 2 . . . . . . . . 6401 1 775 . 1 1 85 85 LEU CG C 13 26.571 0.140 . 1 . . . . . . . . 6401 1 776 . 1 1 85 85 LEU HA H 1 3.959 0.008 . 1 . . . . . . . . 6401 1 777 . 1 1 85 85 LEU HB2 H 1 1.794 0.006 . 2 . . . . . . . . 6401 1 778 . 1 1 85 85 LEU HB3 H 1 1.348 0.011 . 2 . . . . . . . . 6401 1 779 . 1 1 85 85 LEU HG H 1 1.735 0.009 . 1 . . . . . . . . 6401 1 780 . 1 1 85 85 LEU H H 1 8.033 0.016 . 1 . . . . . . . . 6401 1 781 . 1 1 85 85 LEU N N 15 120.360 0.129 . 1 . . . . . . . . 6401 1 782 . 1 1 85 85 LEU HD11 H 1 0.693 0.012 . 2 . . . . . . . . 6401 1 783 . 1 1 85 85 LEU HD12 H 1 0.693 0.012 . 2 . . . . . . . . 6401 1 784 . 1 1 85 85 LEU HD13 H 1 0.693 0.012 . 2 . . . . . . . . 6401 1 785 . 1 1 86 86 ILE CA C 13 63.380 0.137 . 1 . . . . . . . . 6401 1 786 . 1 1 86 86 ILE CB C 13 36.505 0.110 . 1 . . . . . . . . 6401 1 787 . 1 1 86 86 ILE CD1 C 13 12.534 0.184 . 1 . . . . . . . . 6401 1 788 . 1 1 86 86 ILE CG1 C 13 29.484 0.126 . 1 . . . . . . . . 6401 1 789 . 1 1 86 86 ILE CG2 C 13 16.522 0.071 . 1 . . . . . . . . 6401 1 790 . 1 1 86 86 ILE HA H 1 3.420 0.007 . 1 . . . . . . . . 6401 1 791 . 1 1 86 86 ILE HB H 1 1.734 0.010 . 1 . . . . . . . . 6401 1 792 . 1 1 86 86 ILE HG12 H 1 1.490 0.006 . 2 . . . . . . . . 6401 1 793 . 1 1 86 86 ILE HG13 H 1 1.212 0.009 . 2 . . . . . . . . 6401 1 794 . 1 1 86 86 ILE H H 1 7.824 0.018 . 1 . . . . . . . . 6401 1 795 . 1 1 86 86 ILE N N 15 117.689 0.023 . 1 . . . . . . . . 6401 1 796 . 1 1 86 86 ILE HD11 H 1 0.744 0.009 . 1 . . . . . . . . 6401 1 797 . 1 1 86 86 ILE HD12 H 1 0.744 0.009 . 1 . . . . . . . . 6401 1 798 . 1 1 86 86 ILE HD13 H 1 0.744 0.009 . 1 . . . . . . . . 6401 1 799 . 1 1 86 86 ILE HG21 H 1 -0.287 0.008 . 1 . . . . . . . . 6401 1 800 . 1 1 86 86 ILE HG22 H 1 -0.287 0.008 . 1 . . . . . . . . 6401 1 801 . 1 1 86 86 ILE HG23 H 1 -0.287 0.008 . 1 . . . . . . . . 6401 1 802 . 1 1 87 87 LYS CA C 13 60.159 0.093 . 1 . . . . . . . . 6401 1 803 . 1 1 87 87 LYS CB C 13 31.543 0.147 . 1 . . . . . . . . 6401 1 804 . 1 1 87 87 LYS CD C 13 29.481 0.048 . 1 . . . . . . . . 6401 1 805 . 1 1 87 87 LYS CE C 13 42.176 0.000 . 1 . . . . . . . . 6401 1 806 . 1 1 87 87 LYS CG C 13 24.389 0.090 . 1 . . . . . . . . 6401 1 807 . 1 1 87 87 LYS HA H 1 3.351 0.007 . 1 . . . . . . . . 6401 1 808 . 1 1 87 87 LYS HB2 H 1 1.723 0.016 . 2 . . . . . . . . 6401 1 809 . 1 1 87 87 LYS HB3 H 1 0.721 0.011 . 2 . . . . . . . . 6401 1 810 . 1 1 87 87 LYS H H 1 7.837 0.007 . 1 . . . . . . . . 6401 1 811 . 1 1 87 87 LYS N N 15 120.849 0.050 . 1 . . . . . . . . 6401 1 812 . 1 1 87 87 LYS HD2 H 1 1.460 0.007 . 2 . . . . . . . . 6401 1 813 . 1 1 87 87 LYS HG2 H 1 1.283 0.009 . 2 . . . . . . . . 6401 1 814 . 1 1 88 88 GLU CA C 13 59.137 0.114 . 1 . . . . . . . . 6401 1 815 . 1 1 88 88 GLU CB C 13 29.444 0.037 . 1 . . . . . . . . 6401 1 816 . 1 1 88 88 GLU CG C 13 36.756 0.042 . 1 . . . . . . . . 6401 1 817 . 1 1 88 88 GLU HA H 1 3.905 0.011 . 1 . . . . . . . . 6401 1 818 . 1 1 88 88 GLU HG2 H 1 2.421 0.011 . 2 . . . . . . . . 6401 1 819 . 1 1 88 88 GLU H H 1 7.742 0.007 . 1 . . . . . . . . 6401 1 820 . 1 1 88 88 GLU N N 15 115.510 0.042 . 1 . . . . . . . . 6401 1 821 . 1 1 88 88 GLU HB2 H 1 1.975 0.005 . 2 . . . . . . . . 6401 1 822 . 1 1 89 89 LEU CA C 13 57.550 0.094 . 1 . . . . . . . . 6401 1 823 . 1 1 89 89 LEU CB C 13 42.452 0.073 . 1 . . . . . . . . 6401 1 824 . 1 1 89 89 LEU CD1 C 13 25.069 0.144 . 2 . . . . . . . . 6401 1 825 . 1 1 89 89 LEU CD2 C 13 23.522 0.035 . 2 . . . . . . . . 6401 1 826 . 1 1 89 89 LEU CG C 13 26.771 0.022 . 1 . . . . . . . . 6401 1 827 . 1 1 89 89 LEU HA H 1 3.929 0.007 . 1 . . . . . . . . 6401 1 828 . 1 1 89 89 LEU HB2 H 1 1.846 0.013 . 2 . . . . . . . . 6401 1 829 . 1 1 89 89 LEU HB3 H 1 1.531 0.006 . 2 . . . . . . . . 6401 1 830 . 1 1 89 89 LEU HG H 1 1.497 0.005 . 1 . . . . . . . . 6401 1 831 . 1 1 89 89 LEU H H 1 7.283 0.021 . 1 . . . . . . . . 6401 1 832 . 1 1 89 89 LEU N N 15 118.135 0.029 . 1 . . . . . . . . 6401 1 833 . 1 1 89 89 LEU HD11 H 1 0.696 0.012 . 2 . . . . . . . . 6401 1 834 . 1 1 89 89 LEU HD12 H 1 0.696 0.012 . 2 . . . . . . . . 6401 1 835 . 1 1 89 89 LEU HD13 H 1 0.696 0.012 . 2 . . . . . . . . 6401 1 836 . 1 1 89 89 LEU HD21 H 1 0.525 0.008 . 2 . . . . . . . . 6401 1 837 . 1 1 89 89 LEU HD22 H 1 0.525 0.008 . 2 . . . . . . . . 6401 1 838 . 1 1 89 89 LEU HD23 H 1 0.525 0.008 . 2 . . . . . . . . 6401 1 839 . 1 1 90 90 ILE CA C 13 62.820 0.026 . 1 . . . . . . . . 6401 1 840 . 1 1 90 90 ILE CB C 13 38.332 0.073 . 1 . . . . . . . . 6401 1 841 . 1 1 90 90 ILE CD1 C 13 14.139 0.069 . 1 . . . . . . . . 6401 1 842 . 1 1 90 90 ILE CG1 C 13 25.974 0.070 . 1 . . . . . . . . 6401 1 843 . 1 1 90 90 ILE CG2 C 13 17.783 0.100 . 1 . . . . . . . . 6401 1 844 . 1 1 90 90 ILE HA H 1 4.011 0.008 . 1 . . . . . . . . 6401 1 845 . 1 1 90 90 ILE HB H 1 1.931 0.007 . 1 . . . . . . . . 6401 1 846 . 1 1 90 90 ILE HG12 H 1 1.481 0.006 . 2 . . . . . . . . 6401 1 847 . 1 1 90 90 ILE HG13 H 1 1.191 0.007 . 2 . . . . . . . . 6401 1 848 . 1 1 90 90 ILE H H 1 7.578 0.010 . 1 . . . . . . . . 6401 1 849 . 1 1 90 90 ILE N N 15 112.746 0.028 . 1 . . . . . . . . 6401 1 850 . 1 1 90 90 ILE HD11 H 1 0.375 0.013 . 1 . . . . . . . . 6401 1 851 . 1 1 90 90 ILE HD12 H 1 0.375 0.013 . 1 . . . . . . . . 6401 1 852 . 1 1 90 90 ILE HD13 H 1 0.375 0.013 . 1 . . . . . . . . 6401 1 853 . 1 1 90 90 ILE HG21 H 1 1.020 0.060 . 1 . . . . . . . . 6401 1 854 . 1 1 90 90 ILE HG22 H 1 1.020 0.060 . 1 . . . . . . . . 6401 1 855 . 1 1 90 90 ILE HG23 H 1 1.020 0.060 . 1 . . . . . . . . 6401 1 856 . 1 1 91 91 ASP CA C 13 55.169 0.082 . 1 . . . . . . . . 6401 1 857 . 1 1 91 91 ASP CB C 13 41.234 0.078 . 1 . . . . . . . . 6401 1 858 . 1 1 91 91 ASP HA H 1 4.493 0.017 . 1 . . . . . . . . 6401 1 859 . 1 1 91 91 ASP H H 1 8.090 0.009 . 1 . . . . . . . . 6401 1 860 . 1 1 91 91 ASP N N 15 122.215 0.047 . 1 . . . . . . . . 6401 1 861 . 1 1 91 91 ASP HB2 H 1 2.623 0.012 . 2 . . . . . . . . 6401 1 862 . 1 1 92 92 LYS CA C 13 56.137 0.076 . 1 . . . . . . . . 6401 1 863 . 1 1 92 92 LYS CB C 13 32.744 0.103 . 1 . . . . . . . . 6401 1 864 . 1 1 92 92 LYS CD C 13 29.314 0.053 . 1 . . . . . . . . 6401 1 865 . 1 1 92 92 LYS CG C 13 24.696 0.148 . 1 . . . . . . . . 6401 1 866 . 1 1 92 92 LYS HA H 1 4.251 0.005 . 1 . . . . . . . . 6401 1 867 . 1 1 92 92 LYS H H 1 7.822 0.010 . 1 . . . . . . . . 6401 1 868 . 1 1 92 92 LYS N N 15 120.091 0.079 . 1 . . . . . . . . 6401 1 869 . 1 1 92 92 LYS HB2 H 1 1.820 0.008 . 2 . . . . . . . . 6401 1 870 . 1 1 92 92 LYS HD2 H 1 1.509 0.002 . 2 . . . . . . . . 6401 1 871 . 1 1 92 92 LYS HG2 H 1 1.400 0.010 . 2 . . . . . . . . 6401 1 872 . 1 1 93 93 LYS CA C 13 56.608 0.163 . 1 . . . . . . . . 6401 1 873 . 1 1 93 93 LYS CB C 13 32.639 0.056 . 1 . . . . . . . . 6401 1 874 . 1 1 93 93 LYS CG C 13 24.900 0.014 . 1 . . . . . . . . 6401 1 875 . 1 1 93 93 LYS HA H 1 4.196 0.010 . 1 . . . . . . . . 6401 1 876 . 1 1 93 93 LYS H H 1 8.186 0.015 . 1 . . . . . . . . 6401 1 877 . 1 1 93 93 LYS N N 15 121.670 0.093 . 1 . . . . . . . . 6401 1 878 . 1 1 93 93 LYS HB2 H 1 1.764 0.008 . 2 . . . . . . . . 6401 1 879 . 1 1 93 93 LYS HG2 H 1 1.368 0.012 . 2 . . . . . . . . 6401 1 880 . 1 1 94 94 GLU CA C 13 56.605 0.055 . 1 . . . . . . . . 6401 1 881 . 1 1 94 94 GLU CB C 13 30.339 0.077 . 1 . . . . . . . . 6401 1 882 . 1 1 94 94 GLU CG C 13 36.295 0.117 . 1 . . . . . . . . 6401 1 883 . 1 1 94 94 GLU HA H 1 4.251 0.008 . 1 . . . . . . . . 6401 1 884 . 1 1 94 94 GLU HB2 H 1 1.968 0.008 . 2 . . . . . . . . 6401 1 885 . 1 1 94 94 GLU HB3 H 1 1.849 0.007 . 2 . . . . . . . . 6401 1 886 . 1 1 94 94 GLU H H 1 8.404 0.008 . 1 . . . . . . . . 6401 1 887 . 1 1 94 94 GLU N N 15 121.664 0.060 . 1 . . . . . . . . 6401 1 888 . 1 1 94 94 GLU HG2 H 1 2.197 0.012 . 2 . . . . . . . . 6401 1 889 . 1 1 95 95 VAL CA C 13 62.171 0.075 . 1 . . . . . . . . 6401 1 890 . 1 1 95 95 VAL CB C 13 32.868 0.057 . 1 . . . . . . . . 6401 1 891 . 1 1 95 95 VAL CG1 C 13 20.876 0.085 . 2 . . . . . . . . 6401 1 892 . 1 1 95 95 VAL HA H 1 4.028 0.011 . 1 . . . . . . . . 6401 1 893 . 1 1 95 95 VAL HB H 1 1.976 0.013 . 1 . . . . . . . . 6401 1 894 . 1 1 95 95 VAL H H 1 8.092 0.006 . 1 . . . . . . . . 6401 1 895 . 1 1 95 95 VAL N N 15 120.627 0.065 . 1 . . . . . . . . 6401 1 896 . 1 1 95 95 VAL HG11 H 1 0.841 0.016 . 2 . . . . . . . . 6401 1 897 . 1 1 95 95 VAL HG12 H 1 0.841 0.016 . 2 . . . . . . . . 6401 1 898 . 1 1 95 95 VAL HG13 H 1 0.841 0.016 . 2 . . . . . . . . 6401 1 899 . 1 1 96 96 ASN CA C 13 51.238 0.019 . 1 . . . . . . . . 6401 1 900 . 1 1 96 96 ASN CB C 13 39.153 0.092 . 1 . . . . . . . . 6401 1 901 . 1 1 96 96 ASN HA H 1 4.986 0.113 . 1 . . . . . . . . 6401 1 902 . 1 1 96 96 ASN HB2 H 1 2.793 0.005 . 2 . . . . . . . . 6401 1 903 . 1 1 96 96 ASN HB3 H 1 2.619 0.012 . 2 . . . . . . . . 6401 1 904 . 1 1 96 96 ASN H H 1 8.486 0.012 . 1 . . . . . . . . 6401 1 905 . 1 1 96 96 ASN N N 15 122.971 0.064 . 1 . . . . . . . . 6401 1 906 . 1 1 97 97 PRO CA C 13 63.496 0.071 . 1 . . . . . . . . 6401 1 907 . 1 1 97 97 PRO CB C 13 32.244 0.071 . 1 . . . . . . . . 6401 1 908 . 1 1 97 97 PRO CD C 13 50.673 0.200 . 1 . . . . . . . . 6401 1 909 . 1 1 97 97 PRO CG C 13 27.352 0.024 . 1 . . . . . . . . 6401 1 910 . 1 1 97 97 PRO HA H 1 4.340 0.013 . 1 . . . . . . . . 6401 1 911 . 1 1 97 97 PRO HB2 H 1 2.209 0.003 . 2 . . . . . . . . 6401 1 912 . 1 1 97 97 PRO HB3 H 1 1.874 0.009 . 2 . . . . . . . . 6401 1 913 . 1 1 97 97 PRO HD2 H 1 3.702 0.019 . 2 . . . . . . . . 6401 1 914 . 1 1 97 97 PRO HG2 H 1 1.945 0.007 . 2 . . . . . . . . 6401 1 915 . 1 1 98 98 GLN CA C 13 55.972 0.064 . 1 . . . . . . . . 6401 1 916 . 1 1 98 98 GLN CB C 13 29.667 0.057 . 1 . . . . . . . . 6401 1 917 . 1 1 98 98 GLN CG C 13 34.165 0.000 . 1 . . . . . . . . 6401 1 918 . 1 1 98 98 GLN HA H 1 4.266 0.002 . 1 . . . . . . . . 6401 1 919 . 1 1 98 98 GLN H H 1 8.309 0.004 . 1 . . . . . . . . 6401 1 920 . 1 1 98 98 GLN N N 15 119.657 0.071 . 1 . . . . . . . . 6401 1 921 . 1 1 98 98 GLN HB2 H 1 2.008 0.011 . 2 . . . . . . . . 6401 1 922 . 1 1 98 98 GLN HG2 H 1 2.297 0.019 . 2 . . . . . . . . 6401 1 923 . 1 1 99 99 VAL CA C 13 62.445 0.075 . 1 . . . . . . . . 6401 1 924 . 1 1 99 99 VAL CB C 13 32.831 0.031 . 1 . . . . . . . . 6401 1 925 . 1 1 99 99 VAL CG1 C 13 21.282 0.025 . 2 . . . . . . . . 6401 1 926 . 1 1 99 99 VAL HA H 1 4.066 0.007 . 1 . . . . . . . . 6401 1 927 . 1 1 99 99 VAL HB H 1 2.020 0.009 . 1 . . . . . . . . 6401 1 928 . 1 1 99 99 VAL H H 1 8.025 0.008 . 1 . . . . . . . . 6401 1 929 . 1 1 99 99 VAL N N 15 121.266 0.099 . 1 . . . . . . . . 6401 1 930 . 1 1 99 99 VAL HG11 H 1 0.861 0.015 . 2 . . . . . . . . 6401 1 931 . 1 1 99 99 VAL HG12 H 1 0.861 0.015 . 2 . . . . . . . . 6401 1 932 . 1 1 99 99 VAL HG13 H 1 0.861 0.015 . 2 . . . . . . . . 6401 1 933 . 1 1 100 100 MET CA C 13 57.112 0.068 . 1 . . . . . . . . 6401 1 934 . 1 1 100 100 MET CB C 13 33.968 0.052 . 1 . . . . . . . . 6401 1 935 . 1 1 100 100 MET HA H 1 4.244 0.020 . 1 . . . . . . . . 6401 1 936 . 1 1 100 100 MET HB2 H 1 2.033 0.000 . 2 . . . . . . . . 6401 1 937 . 1 1 100 100 MET HB3 H 1 1.869 0.004 . 2 . . . . . . . . 6401 1 938 . 1 1 100 100 MET H H 1 7.899 0.006 . 1 . . . . . . . . 6401 1 939 . 1 1 100 100 MET N N 15 128.958 0.057 . 1 . . . . . . . . 6401 1 stop_ save_