data_6400 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6400 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Wild-Type Matrix Protein of Mason-Pfizer Monkey Virus (M-PMV) ; _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 Jiri Vlach . . . 6400 2 Jan Lipov . . . 6400 3 Tomas Ruml . . . 6400 4 Richard Hrabal . . . 6400 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6400 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 6400 '1H chemical shifts' 551 6400 '15N chemical shifts' 96 6400 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 2004-10-19 original author . 6400 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6401 'R55F mutant' 6400 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6400 _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 . . . 6400 1 2 Jan Lipov . . . 6400 1 3 V. Veverka . . . 6400 1 4 M. Rumlova . . . 6400 1 5 Tomas Ruml . . . 6400 1 6 Richard Hrabal . . . 6400 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6400 _Assembly.ID 1 _Assembly.Name 'wt ma' _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 6400 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 'wt ma' 1 $wild-type_matrix_protein_of_M-PMV . . . native . . . . . 6400 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'wt ma' system 6400 1 'wt ma' abbreviation 6400 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_wild-type_matrix_protein_of_M-PMV _Entity.Sf_category entity _Entity.Sf_framecode wild-type_matrix_protein_of_M-PMV _Entity.Entry_ID 6400 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'M-PMV WT MA' _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 TCPWFPQEGTIDIKRWRRVG 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 . . . . . 99.00 124 100.00 100.00 1.58e-67 . . . . 6400 1 2 no BMRB 25087 . MPMV_MA_Y28F_Y67F . . . . . 99.00 125 97.98 100.00 2.36e-66 . . . . 6400 1 3 no BMRB 6401 . R55F_mutant_of_M-PMV_matrix_protein . . . . . 100.00 100 99.00 99.00 3.67e-66 . . . . 6400 1 4 no PDB 1BAX . "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure" . . . . . 94.00 94 100.00 100.00 1.60e-62 . . . . 6400 1 5 no PDB 2F76 . "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)" . . . . . 100.00 100 100.00 100.00 2.11e-67 . . . . 6400 1 6 no PDB 2F77 . "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)" . . . . . 100.00 100 99.00 99.00 3.67e-66 . . . . 6400 1 7 no PDB 2LPY . "Solution Structure Of The M-Pmv Myristoylated Matrix Protein" . . . . . 99.00 124 100.00 100.00 1.58e-67 . . . . 6400 1 8 no GB AAA47710 . "gag polyprotein [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 3.49e-63 . . . . 6400 1 9 no GB AAA47730 . "gag polyprotein [Simian retrovirus 1]" . . . . . 100.00 658 100.00 100.00 2.73e-63 . . . . 6400 1 10 no GB AAC82573 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 3.49e-63 . . . . 6400 1 11 no GB AAC82574 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 100.00 100.00 1.43e-62 . . . . 6400 1 12 no GB AAC82576 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 3.11e-63 . . . . 6400 1 13 no PIR FOLJSA . "gag polyprotein - simian AIDS retrovirus SRV-1" . . . . . 100.00 658 100.00 100.00 2.73e-63 . . . . 6400 1 14 no REF NP_056891 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 3.11e-63 . . . . 6400 1 15 no REF NP_056892 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 100.00 100.00 1.43e-62 . . . . 6400 1 16 no REF NP_056893 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 3.49e-63 . . . . 6400 1 17 no REF NP_954557 . "p10 MA [Mason-Pfizer monkey virus]" . . . . . 99.00 99 100.00 100.00 1.66e-66 . . . . 6400 1 18 no REF NP_954565 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 3.11e-63 . . . . 6400 1 19 no SP P04022 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 658 100.00 100.00 2.73e-63 . . . . 6400 1 20 no SP P07567 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 657 100.00 100.00 3.49e-63 . . . . 6400 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'M-PMV WT MA' common 6400 1 'M-PMV WT MA' abbreviation 6400 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 . 6400 1 2 . GLY . 6400 1 3 . GLN . 6400 1 4 . GLU . 6400 1 5 . LEU . 6400 1 6 . SER . 6400 1 7 . GLN . 6400 1 8 . HIS . 6400 1 9 . GLU . 6400 1 10 . ARG . 6400 1 11 . TYR . 6400 1 12 . VAL . 6400 1 13 . GLU . 6400 1 14 . GLN . 6400 1 15 . LEU . 6400 1 16 . LYS . 6400 1 17 . GLN . 6400 1 18 . ALA . 6400 1 19 . LEU . 6400 1 20 . LYS . 6400 1 21 . THR . 6400 1 22 . ARG . 6400 1 23 . GLY . 6400 1 24 . VAL . 6400 1 25 . LYS . 6400 1 26 . VAL . 6400 1 27 . LYS . 6400 1 28 . TYR . 6400 1 29 . ALA . 6400 1 30 . ASP . 6400 1 31 . LEU . 6400 1 32 . LEU . 6400 1 33 . LYS . 6400 1 34 . PHE . 6400 1 35 . PHE . 6400 1 36 . ASP . 6400 1 37 . PHE . 6400 1 38 . VAL . 6400 1 39 . LYS . 6400 1 40 . ASP . 6400 1 41 . THR . 6400 1 42 . CYS . 6400 1 43 . PRO . 6400 1 44 . TRP . 6400 1 45 . PHE . 6400 1 46 . PRO . 6400 1 47 . GLN . 6400 1 48 . GLU . 6400 1 49 . GLY . 6400 1 50 . THR . 6400 1 51 . ILE . 6400 1 52 . ASP . 6400 1 53 . ILE . 6400 1 54 . LYS . 6400 1 55 . ARG . 6400 1 56 . TRP . 6400 1 57 . ARG . 6400 1 58 . ARG . 6400 1 59 . VAL . 6400 1 60 . GLY . 6400 1 61 . ASP . 6400 1 62 . CYS . 6400 1 63 . PHE . 6400 1 64 . GLN . 6400 1 65 . ASP . 6400 1 66 . TYR . 6400 1 67 . TYR . 6400 1 68 . ASN . 6400 1 69 . THR . 6400 1 70 . PHE . 6400 1 71 . GLY . 6400 1 72 . PRO . 6400 1 73 . GLU . 6400 1 74 . LYS . 6400 1 75 . VAL . 6400 1 76 . PRO . 6400 1 77 . VAL . 6400 1 78 . THR . 6400 1 79 . ALA . 6400 1 80 . PHE . 6400 1 81 . SER . 6400 1 82 . TYR . 6400 1 83 . TRP . 6400 1 84 . ASN . 6400 1 85 . LEU . 6400 1 86 . ILE . 6400 1 87 . LYS . 6400 1 88 . GLU . 6400 1 89 . LEU . 6400 1 90 . ILE . 6400 1 91 . ASP . 6400 1 92 . LYS . 6400 1 93 . LYS . 6400 1 94 . GLU . 6400 1 95 . VAL . 6400 1 96 . ASN . 6400 1 97 . PRO . 6400 1 98 . GLN . 6400 1 99 . VAL . 6400 1 100 . MET . 6400 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 6400 1 . GLY 2 2 6400 1 . GLN 3 3 6400 1 . GLU 4 4 6400 1 . LEU 5 5 6400 1 . SER 6 6 6400 1 . GLN 7 7 6400 1 . HIS 8 8 6400 1 . GLU 9 9 6400 1 . ARG 10 10 6400 1 . TYR 11 11 6400 1 . VAL 12 12 6400 1 . GLU 13 13 6400 1 . GLN 14 14 6400 1 . LEU 15 15 6400 1 . LYS 16 16 6400 1 . GLN 17 17 6400 1 . ALA 18 18 6400 1 . LEU 19 19 6400 1 . LYS 20 20 6400 1 . THR 21 21 6400 1 . ARG 22 22 6400 1 . GLY 23 23 6400 1 . VAL 24 24 6400 1 . LYS 25 25 6400 1 . VAL 26 26 6400 1 . LYS 27 27 6400 1 . TYR 28 28 6400 1 . ALA 29 29 6400 1 . ASP 30 30 6400 1 . LEU 31 31 6400 1 . LEU 32 32 6400 1 . LYS 33 33 6400 1 . PHE 34 34 6400 1 . PHE 35 35 6400 1 . ASP 36 36 6400 1 . PHE 37 37 6400 1 . VAL 38 38 6400 1 . LYS 39 39 6400 1 . ASP 40 40 6400 1 . THR 41 41 6400 1 . CYS 42 42 6400 1 . PRO 43 43 6400 1 . TRP 44 44 6400 1 . PHE 45 45 6400 1 . PRO 46 46 6400 1 . GLN 47 47 6400 1 . GLU 48 48 6400 1 . GLY 49 49 6400 1 . THR 50 50 6400 1 . ILE 51 51 6400 1 . ASP 52 52 6400 1 . ILE 53 53 6400 1 . LYS 54 54 6400 1 . ARG 55 55 6400 1 . TRP 56 56 6400 1 . ARG 57 57 6400 1 . ARG 58 58 6400 1 . VAL 59 59 6400 1 . GLY 60 60 6400 1 . ASP 61 61 6400 1 . CYS 62 62 6400 1 . PHE 63 63 6400 1 . GLN 64 64 6400 1 . ASP 65 65 6400 1 . TYR 66 66 6400 1 . TYR 67 67 6400 1 . ASN 68 68 6400 1 . THR 69 69 6400 1 . PHE 70 70 6400 1 . GLY 71 71 6400 1 . PRO 72 72 6400 1 . GLU 73 73 6400 1 . LYS 74 74 6400 1 . VAL 75 75 6400 1 . PRO 76 76 6400 1 . VAL 77 77 6400 1 . THR 78 78 6400 1 . ALA 79 79 6400 1 . PHE 80 80 6400 1 . SER 81 81 6400 1 . TYR 82 82 6400 1 . TRP 83 83 6400 1 . ASN 84 84 6400 1 . LEU 85 85 6400 1 . ILE 86 86 6400 1 . LYS 87 87 6400 1 . GLU 88 88 6400 1 . LEU 89 89 6400 1 . ILE 90 90 6400 1 . ASP 91 91 6400 1 . LYS 92 92 6400 1 . LYS 93 93 6400 1 . GLU 94 94 6400 1 . VAL 95 95 6400 1 . ASN 96 96 6400 1 . PRO 97 97 6400 1 . GLN 98 98 6400 1 . VAL 99 99 6400 1 . MET 100 100 6400 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 6400 _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 $wild-type_matrix_protein_of_M-PMV . 11855 virus . 'Betaretrovirus Mason-Pfizer monkey virus' 'Mason-Pfizer monkey virus' . . Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' . . . . . . . . . . . . . . . . . . . . . 6400 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 6400 _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 $wild-type_matrix_protein_of_M-PMV . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6400 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6400 _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 'M-PMV WT MA' '[U-13C; U-15N]' . . 1 $wild-type_matrix_protein_of_M-PMV . . 1 . . mM . . . . 6400 1 2 NaH(PO4)2/NaH2PO4 . . . . . . . 100 . . mM . . . . 6400 1 3 NaCl . . . . . . . 200 . . mM . . . . 6400 1 4 DTT . . . . . . . 10 . . mM . . . . 6400 1 5 D2O . . . . . . . 10 . . % . . . . 6400 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 6400 _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 6400 1 temperature 298 0.1 K 6400 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6400 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6400 _Software.ID 2 _Software.Name Sparky _Software.Version 3.110 _Software.Details . save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6400 _Software.ID 3 _Software.Name CSI _Software.Version 2.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6400 _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 6400 _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 500MHz_spectrometer Bruker Avance . 500 . . . 6400 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 6400 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 2 '1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 7 '13C-edited HMQC-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 8 '15N-edited HSQC-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 1 9 HcCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6400 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 6400 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N 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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C 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 $500MHz_spectrometer _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 6400 _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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 4 _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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 5 _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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C-edited HMQC-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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-edited HSQC-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 $500MHz_spectrometer _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 6400 _NMR_spec_expt.ID 9 _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 $500MHz_spectrometer _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 6400 _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 6400 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6400 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6400 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 6400 _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 . 6400 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 54.940 0.047 . 1 . . . . . . . . 6400 1 2 . 1 1 1 1 MET CB C 13 31.552 0.067 . 1 . . . . . . . . 6400 1 3 . 1 1 1 1 MET CG C 13 34.986 0.075 . 1 . . . . . . . . 6400 1 4 . 1 1 1 1 MET HA H 1 3.954 0.000 . 1 . . . . . . . . 6400 1 5 . 1 1 1 1 MET HB2 H 1 1.647 0.000 . 2 . . . . . . . . 6400 1 6 . 1 1 1 1 MET HB3 H 1 1.746 0.000 . 2 . . . . . . . . 6400 1 7 . 1 1 1 1 MET HG2 H 1 1.847 0.000 . 2 . . . . . . . . 6400 1 8 . 1 1 2 2 GLY C C 13 173.566 0.000 . 1 . . . . . . . . 6400 1 9 . 1 1 2 2 GLY CA C 13 45.137 0.068 . 1 . . . . . . . . 6400 1 10 . 1 1 2 2 GLY H H 1 8.595 0.005 . 1 . . . . . . . . 6400 1 11 . 1 1 2 2 GLY HA2 H 1 3.944 0.001 . 2 . . . . . . . . 6400 1 12 . 1 1 2 2 GLY N N 15 110.699 0.029 . 1 . . . . . . . . 6400 1 13 . 1 1 3 3 GLN C C 13 175.575 0.000 . 1 . . . . . . . . 6400 1 14 . 1 1 3 3 GLN CA C 13 55.855 0.052 . 1 . . . . . . . . 6400 1 15 . 1 1 3 3 GLN CB C 13 29.432 0.052 . 1 . . . . . . . . 6400 1 16 . 1 1 3 3 GLN CG C 13 33.779 0.031 . 1 . . . . . . . . 6400 1 17 . 1 1 3 3 GLN H H 1 8.394 0.003 . 1 . . . . . . . . 6400 1 18 . 1 1 3 3 GLN HA H 1 4.287 0.009 . 1 . . . . . . . . 6400 1 19 . 1 1 3 3 GLN HB2 H 1 1.935 0.018 . 2 . . . . . . . . 6400 1 20 . 1 1 3 3 GLN HB3 H 1 2.013 0.001 . 2 . . . . . . . . 6400 1 21 . 1 1 3 3 GLN HG2 H 1 2.014 0.000 . 2 . . . . . . . . 6400 1 22 . 1 1 3 3 GLN N N 15 120.282 0.055 . 1 . . . . . . . . 6400 1 23 . 1 1 4 4 GLU C C 13 176.284 0.000 . 1 . . . . . . . . 6400 1 24 . 1 1 4 4 GLU CA C 13 56.278 0.067 . 1 . . . . . . . . 6400 1 25 . 1 1 4 4 GLU CB C 13 29.948 0.079 . 1 . . . . . . . . 6400 1 26 . 1 1 4 4 GLU CG C 13 35.978 0.027 . 1 . . . . . . . . 6400 1 27 . 1 1 4 4 GLU H H 1 8.598 0.005 . 1 . . . . . . . . 6400 1 28 . 1 1 4 4 GLU HA H 1 4.232 0.000 . 1 . . . . . . . . 6400 1 29 . 1 1 4 4 GLU HB2 H 1 1.896 0.001 . 2 . . . . . . . . 6400 1 30 . 1 1 4 4 GLU HG2 H 1 2.210 0.007 . 2 . . . . . . . . 6400 1 31 . 1 1 4 4 GLU N N 15 122.625 0.023 . 1 . . . . . . . . 6400 1 32 . 1 1 5 5 LEU C C 13 177.659 0.000 . 1 . . . . . . . . 6400 1 33 . 1 1 5 5 LEU CA C 13 55.061 0.106 . 1 . . . . . . . . 6400 1 34 . 1 1 5 5 LEU CB C 13 42.877 0.092 . 1 . . . . . . . . 6400 1 35 . 1 1 5 5 LEU CD1 C 13 24.857 0.068 . 2 . . . . . . . . 6400 1 36 . 1 1 5 5 LEU CD2 C 13 26.900 0.000 . 2 . . . . . . . . 6400 1 37 . 1 1 5 5 LEU CG C 13 27.227 0.168 . 1 . . . . . . . . 6400 1 38 . 1 1 5 5 LEU H H 1 8.273 0.006 . 1 . . . . . . . . 6400 1 39 . 1 1 5 5 LEU HA H 1 4.389 0.008 . 1 . . . . . . . . 6400 1 40 . 1 1 5 5 LEU HB2 H 1 1.530 0.000 . 2 . . . . . . . . 6400 1 41 . 1 1 5 5 LEU HD11 H 1 0.768 0.039 . 2 . . . . . . . . 6400 1 42 . 1 1 5 5 LEU HD12 H 1 0.768 0.039 . 2 . . . . . . . . 6400 1 43 . 1 1 5 5 LEU HD13 H 1 0.768 0.039 . 2 . . . . . . . . 6400 1 44 . 1 1 5 5 LEU HG H 1 1.565 0.003 . 1 . . . . . . . . 6400 1 45 . 1 1 5 5 LEU N N 15 123.615 0.020 . 1 . . . . . . . . 6400 1 46 . 1 1 6 6 SER C C 13 174.741 0.000 . 1 . . . . . . . . 6400 1 47 . 1 1 6 6 SER CA C 13 57.971 0.000 . 1 . . . . . . . . 6400 1 48 . 1 1 6 6 SER CB C 13 64.702 0.077 . 1 . . . . . . . . 6400 1 49 . 1 1 6 6 SER H H 1 8.926 0.006 . 1 . . . . . . . . 6400 1 50 . 1 1 6 6 SER HA H 1 4.431 0.007 . 1 . . . . . . . . 6400 1 51 . 1 1 6 6 SER HB2 H 1 4.012 0.009 . 2 . . . . . . . . 6400 1 52 . 1 1 6 6 SER HB3 H 1 4.254 0.003 . 2 . . . . . . . . 6400 1 53 . 1 1 6 6 SER N N 15 118.581 0.081 . 1 . . . . . . . . 6400 1 54 . 1 1 7 7 GLN C C 13 178.336 0.000 . 1 . . . . . . . . 6400 1 55 . 1 1 7 7 GLN CA C 13 59.494 0.155 . 1 . . . . . . . . 6400 1 56 . 1 1 7 7 GLN CB C 13 27.772 0.135 . 1 . . . . . . . . 6400 1 57 . 1 1 7 7 GLN CG C 13 33.487 0.183 . 1 . . . . . . . . 6400 1 58 . 1 1 7 7 GLN H H 1 8.843 0.010 . 1 . . . . . . . . 6400 1 59 . 1 1 7 7 GLN HA H 1 3.934 0.009 . 1 . . . . . . . . 6400 1 60 . 1 1 7 7 GLN HB2 H 1 2.098 0.018 . 2 . . . . . . . . 6400 1 61 . 1 1 7 7 GLN HE21 H 1 7.338 0.004 . 1 . . . . . . . . 6400 1 62 . 1 1 7 7 GLN HE22 H 1 6.713 0.007 . 1 . . . . . . . . 6400 1 63 . 1 1 7 7 GLN HG2 H 1 2.411 0.016 . 2 . . . . . . . . 6400 1 64 . 1 1 7 7 GLN N N 15 121.092 0.046 . 1 . . . . . . . . 6400 1 65 . 1 1 7 7 GLN NE2 N 15 110.943 0.019 . 1 . . . . . . . . 6400 1 66 . 1 1 8 8 HIS C C 13 176.244 0.000 . 1 . . . . . . . . 6400 1 67 . 1 1 8 8 HIS CA C 13 59.006 0.076 . 1 . . . . . . . . 6400 1 68 . 1 1 8 8 HIS CB C 13 28.812 0.120 . 1 . . . . . . . . 6400 1 69 . 1 1 8 8 HIS H H 1 8.701 0.005 . 1 . . . . . . . . 6400 1 70 . 1 1 8 8 HIS HA H 1 4.405 0.010 . 1 . . . . . . . . 6400 1 71 . 1 1 8 8 HIS HB2 H 1 3.046 0.004 . 2 . . . . . . . . 6400 1 72 . 1 1 8 8 HIS HB3 H 1 3.168 0.000 . 2 . . . . . . . . 6400 1 73 . 1 1 8 8 HIS HD2 H 1 6.981 0.000 . 3 . . . . . . . . 6400 1 74 . 1 1 8 8 HIS N N 15 118.379 0.048 . 1 . . . . . . . . 6400 1 75 . 1 1 9 9 GLU C C 13 179.057 0.000 . 1 . . . . . . . . 6400 1 76 . 1 1 9 9 GLU CA C 13 59.305 0.070 . 1 . . . . . . . . 6400 1 77 . 1 1 9 9 GLU CB C 13 29.921 0.128 . 1 . . . . . . . . 6400 1 78 . 1 1 9 9 GLU CG C 13 37.262 0.041 . 1 . . . . . . . . 6400 1 79 . 1 1 9 9 GLU H H 1 7.859 0.010 . 1 . . . . . . . . 6400 1 80 . 1 1 9 9 GLU HA H 1 3.897 0.007 . 1 . . . . . . . . 6400 1 81 . 1 1 9 9 GLU HB2 H 1 2.128 0.013 . 2 . . . . . . . . 6400 1 82 . 1 1 9 9 GLU HG2 H 1 2.325 0.010 . 2 . . . . . . . . 6400 1 83 . 1 1 9 9 GLU N N 15 118.630 0.048 . 1 . . . . . . . . 6400 1 84 . 1 1 10 10 ARG CA C 13 59.387 0.010 . 1 . . . . . . . . 6400 1 85 . 1 1 10 10 ARG CB C 13 29.896 0.268 . 1 . . . . . . . . 6400 1 86 . 1 1 10 10 ARG CD C 13 43.081 0.000 . 1 . . . . . . . . 6400 1 87 . 1 1 10 10 ARG CG C 13 27.231 0.041 . 1 . . . . . . . . 6400 1 88 . 1 1 10 10 ARG H H 1 8.377 0.003 . 1 . . . . . . . . 6400 1 89 . 1 1 10 10 ARG HA H 1 3.943 0.010 . 1 . . . . . . . . 6400 1 90 . 1 1 10 10 ARG HB2 H 1 1.841 0.016 . 2 . . . . . . . . 6400 1 91 . 1 1 10 10 ARG HD2 H 1 3.128 0.008 . 2 . . . . . . . . 6400 1 92 . 1 1 10 10 ARG HE H 1 7.071 0.022 . 1 . . . . . . . . 6400 1 93 . 1 1 10 10 ARG HG2 H 1 1.643 0.005 . 2 . . . . . . . . 6400 1 94 . 1 1 10 10 ARG N N 15 119.107 0.053 . 1 . . . . . . . . 6400 1 95 . 1 1 10 10 ARG NE N 15 84.155 0.019 . 1 . . . . . . . . 6400 1 96 . 1 1 11 11 TYR C C 13 177.360 0.000 . 1 . . . . . . . . 6400 1 97 . 1 1 11 11 TYR CA C 13 60.779 0.038 . 1 . . . . . . . . 6400 1 98 . 1 1 11 11 TYR CB C 13 38.166 0.249 . 1 . . . . . . . . 6400 1 99 . 1 1 11 11 TYR H H 1 9.031 0.000 . 1 . . . . . . . . 6400 1 100 . 1 1 11 11 TYR HA H 1 4.082 0.003 . 1 . . . . . . . . 6400 1 101 . 1 1 11 11 TYR HB2 H 1 3.020 0.011 . 2 . . . . . . . . 6400 1 102 . 1 1 11 11 TYR HD1 H 1 6.764 0.005 . 3 . . . . . . . . 6400 1 103 . 1 1 11 11 TYR N N 15 120.483 0.000 . 1 . . . . . . . . 6400 1 104 . 1 1 12 12 VAL C C 13 177.562 0.000 . 1 . . . . . . . . 6400 1 105 . 1 1 12 12 VAL CA C 13 66.759 0.123 . 1 . . . . . . . . 6400 1 106 . 1 1 12 12 VAL CB C 13 31.004 0.074 . 1 . . . . . . . . 6400 1 107 . 1 1 12 12 VAL CG1 C 13 21.399 0.000 . 2 . . . . . . . . 6400 1 108 . 1 1 12 12 VAL CG2 C 13 22.693 0.069 . 2 . . . . . . . . 6400 1 109 . 1 1 12 12 VAL H H 1 7.583 0.009 . 1 . . . . . . . . 6400 1 110 . 1 1 12 12 VAL HA H 1 3.072 0.006 . 1 . . . . . . . . 6400 1 111 . 1 1 12 12 VAL HB H 1 1.949 0.000 . 1 . . . . . . . . 6400 1 112 . 1 1 12 12 VAL HG11 H 1 0.562 0.001 . 2 . . . . . . . . 6400 1 113 . 1 1 12 12 VAL HG12 H 1 0.562 0.001 . 2 . . . . . . . . 6400 1 114 . 1 1 12 12 VAL HG13 H 1 0.562 0.001 . 2 . . . . . . . . 6400 1 115 . 1 1 12 12 VAL HG21 H 1 0.594 0.008 . 2 . . . . . . . . 6400 1 116 . 1 1 12 12 VAL HG22 H 1 0.594 0.008 . 2 . . . . . . . . 6400 1 117 . 1 1 12 12 VAL HG23 H 1 0.594 0.008 . 2 . . . . . . . . 6400 1 118 . 1 1 12 12 VAL N N 15 118.295 0.063 . 1 . . . . . . . . 6400 1 119 . 1 1 13 13 GLU C C 13 178.525 0.000 . 1 . . . . . . . . 6400 1 120 . 1 1 13 13 GLU CA C 13 59.503 0.134 . 1 . . . . . . . . 6400 1 121 . 1 1 13 13 GLU CB C 13 29.012 0.109 . 1 . . . . . . . . 6400 1 122 . 1 1 13 13 GLU CG C 13 35.170 0.078 . 1 . . . . . . . . 6400 1 123 . 1 1 13 13 GLU H H 1 8.569 0.005 . 1 . . . . . . . . 6400 1 124 . 1 1 13 13 GLU HA H 1 4.130 0.009 . 1 . . . . . . . . 6400 1 125 . 1 1 13 13 GLU HB2 H 1 2.086 0.024 . 2 . . . . . . . . 6400 1 126 . 1 1 13 13 GLU HG2 H 1 2.093 0.002 . 2 . . . . . . . . 6400 1 127 . 1 1 13 13 GLU N N 15 121.115 0.062 . 1 . . . . . . . . 6400 1 128 . 1 1 14 14 GLN C C 13 179.523 0.000 . 1 . . . . . . . . 6400 1 129 . 1 1 14 14 GLN CA C 13 58.992 0.090 . 1 . . . . . . . . 6400 1 130 . 1 1 14 14 GLN CB C 13 27.708 0.083 . 1 . . . . . . . . 6400 1 131 . 1 1 14 14 GLN CG C 13 34.335 0.090 . 1 . . . . . . . . 6400 1 132 . 1 1 14 14 GLN H H 1 8.398 0.005 . 1 . . . . . . . . 6400 1 133 . 1 1 14 14 GLN HA H 1 3.907 0.007 . 1 . . . . . . . . 6400 1 134 . 1 1 14 14 GLN HB2 H 1 1.950 0.013 . 2 . . . . . . . . 6400 1 135 . 1 1 14 14 GLN HB3 H 1 2.055 0.018 . 2 . . . . . . . . 6400 1 136 . 1 1 14 14 GLN HG2 H 1 2.438 0.011 . 2 . . . . . . . . 6400 1 137 . 1 1 14 14 GLN N N 15 118.086 0.062 . 1 . . . . . . . . 6400 1 138 . 1 1 15 15 LEU C C 13 177.943 0.000 . 1 . . . . . . . . 6400 1 139 . 1 1 15 15 LEU CA C 13 57.571 0.030 . 1 . . . . . . . . 6400 1 140 . 1 1 15 15 LEU CB C 13 41.927 0.099 . 1 . . . . . . . . 6400 1 141 . 1 1 15 15 LEU CD1 C 13 26.102 0.101 . 2 . . . . . . . . 6400 1 142 . 1 1 15 15 LEU CD2 C 13 25.533 0.000 . 2 . . . . . . . . 6400 1 143 . 1 1 15 15 LEU CG C 13 26.760 0.038 . 1 . . . . . . . . 6400 1 144 . 1 1 15 15 LEU H H 1 7.321 0.016 . 1 . . . . . . . . 6400 1 145 . 1 1 15 15 LEU HA H 1 3.883 0.008 . 1 . . . . . . . . 6400 1 146 . 1 1 15 15 LEU HB2 H 1 1.044 0.013 . 2 . . . . . . . . 6400 1 147 . 1 1 15 15 LEU HB3 H 1 1.794 0.000 . 2 . . . . . . . . 6400 1 148 . 1 1 15 15 LEU HD11 H 1 0.296 0.009 . 2 . . . . . . . . 6400 1 149 . 1 1 15 15 LEU HD12 H 1 0.296 0.009 . 2 . . . . . . . . 6400 1 150 . 1 1 15 15 LEU HD13 H 1 0.296 0.009 . 2 . . . . . . . . 6400 1 151 . 1 1 15 15 LEU HD21 H 1 0.579 0.006 . 2 . . . . . . . . 6400 1 152 . 1 1 15 15 LEU HD22 H 1 0.579 0.006 . 2 . . . . . . . . 6400 1 153 . 1 1 15 15 LEU HD23 H 1 0.579 0.006 . 2 . . . . . . . . 6400 1 154 . 1 1 15 15 LEU HG H 1 1.269 0.003 . 1 . . . . . . . . 6400 1 155 . 1 1 15 15 LEU N N 15 121.822 0.038 . 1 . . . . . . . . 6400 1 156 . 1 1 16 16 LYS C C 13 179.331 0.000 . 1 . . . . . . . . 6400 1 157 . 1 1 16 16 LYS CA C 13 60.385 0.141 . 1 . . . . . . . . 6400 1 158 . 1 1 16 16 LYS CB C 13 32.081 0.054 . 1 . . . . . . . . 6400 1 159 . 1 1 16 16 LYS CD C 13 29.166 0.083 . 1 . . . . . . . . 6400 1 160 . 1 1 16 16 LYS CE C 13 41.930 0.000 . 1 . . . . . . . . 6400 1 161 . 1 1 16 16 LYS CG C 13 24.492 0.250 . 1 . . . . . . . . 6400 1 162 . 1 1 16 16 LYS H H 1 8.308 0.011 . 1 . . . . . . . . 6400 1 163 . 1 1 16 16 LYS HA H 1 3.587 0.018 . 1 . . . . . . . . 6400 1 164 . 1 1 16 16 LYS HB2 H 1 1.673 0.017 . 2 . . . . . . . . 6400 1 165 . 1 1 16 16 LYS HB3 H 1 2.237 0.016 . 2 . . . . . . . . 6400 1 166 . 1 1 16 16 LYS HD2 H 1 1.427 0.003 . 2 . . . . . . . . 6400 1 167 . 1 1 16 16 LYS HE2 H 1 2.752 0.000 . 2 . . . . . . . . 6400 1 168 . 1 1 16 16 LYS HG2 H 1 1.191 0.018 . 2 . . . . . . . . 6400 1 169 . 1 1 16 16 LYS N N 15 120.643 0.059 . 1 . . . . . . . . 6400 1 170 . 1 1 17 17 GLN C C 13 178.190 0.000 . 1 . . . . . . . . 6400 1 171 . 1 1 17 17 GLN CA C 13 58.258 0.166 . 1 . . . . . . . . 6400 1 172 . 1 1 17 17 GLN CB C 13 27.661 0.073 . 1 . . . . . . . . 6400 1 173 . 1 1 17 17 GLN CG C 13 33.285 0.094 . 1 . . . . . . . . 6400 1 174 . 1 1 17 17 GLN H H 1 8.412 0.003 . 1 . . . . . . . . 6400 1 175 . 1 1 17 17 GLN HA H 1 3.980 0.009 . 1 . . . . . . . . 6400 1 176 . 1 1 17 17 GLN HB2 H 1 2.074 0.007 . 2 . . . . . . . . 6400 1 177 . 1 1 17 17 GLN HG2 H 1 2.478 0.011 . 2 . . . . . . . . 6400 1 178 . 1 1 17 17 GLN N N 15 118.549 0.062 . 1 . . . . . . . . 6400 1 179 . 1 1 18 18 ALA C C 13 181.045 0.000 . 1 . . . . . . . . 6400 1 180 . 1 1 18 18 ALA CA C 13 54.968 0.032 . 1 . . . . . . . . 6400 1 181 . 1 1 18 18 ALA CB C 13 18.421 0.036 . 1 . . . . . . . . 6400 1 182 . 1 1 18 18 ALA H H 1 8.127 0.006 . 1 . . . . . . . . 6400 1 183 . 1 1 18 18 ALA HA H 1 4.083 0.012 . 1 . . . . . . . . 6400 1 184 . 1 1 18 18 ALA HB1 H 1 1.441 0.006 . 1 . . . . . . . . 6400 1 185 . 1 1 18 18 ALA HB2 H 1 1.441 0.006 . 1 . . . . . . . . 6400 1 186 . 1 1 18 18 ALA HB3 H 1 1.441 0.006 . 1 . . . . . . . . 6400 1 187 . 1 1 18 18 ALA N N 15 124.068 0.035 . 1 . . . . . . . . 6400 1 188 . 1 1 19 19 LEU CA C 13 58.017 0.074 . 1 . . . . . . . . 6400 1 189 . 1 1 19 19 LEU CB C 13 40.463 0.090 . 1 . . . . . . . . 6400 1 190 . 1 1 19 19 LEU CD1 C 13 25.007 0.093 . 2 . . . . . . . . 6400 1 191 . 1 1 19 19 LEU CG C 13 26.407 0.152 . 1 . . . . . . . . 6400 1 192 . 1 1 19 19 LEU H H 1 8.332 0.012 . 1 . . . . . . . . 6400 1 193 . 1 1 19 19 LEU HA H 1 3.824 0.017 . 1 . . . . . . . . 6400 1 194 . 1 1 19 19 LEU HB2 H 1 1.302 0.000 . 2 . . . . . . . . 6400 1 195 . 1 1 19 19 LEU HB3 H 1 1.827 0.000 . 2 . . . . . . . . 6400 1 196 . 1 1 19 19 LEU HD11 H 1 0.619 0.005 . 2 . . . . . . . . 6400 1 197 . 1 1 19 19 LEU HD12 H 1 0.619 0.005 . 2 . . . . . . . . 6400 1 198 . 1 1 19 19 LEU HD13 H 1 0.619 0.005 . 2 . . . . . . . . 6400 1 199 . 1 1 19 19 LEU HG H 1 1.519 0.004 . 1 . . . . . . . . 6400 1 200 . 1 1 19 19 LEU N N 15 119.157 0.049 . 1 . . . . . . . . 6400 1 201 . 1 1 20 20 LYS C C 13 181.211 0.000 . 1 . . . . . . . . 6400 1 202 . 1 1 20 20 LYS CA C 13 59.719 0.186 . 1 . . . . . . . . 6400 1 203 . 1 1 20 20 LYS CB C 13 31.765 0.205 . 1 . . . . . . . . 6400 1 204 . 1 1 20 20 LYS CD C 13 29.224 0.048 . 1 . . . . . . . . 6400 1 205 . 1 1 20 20 LYS CE C 13 41.932 0.000 . 1 . . . . . . . . 6400 1 206 . 1 1 20 20 LYS CG C 13 25.283 0.100 . 1 . . . . . . . . 6400 1 207 . 1 1 20 20 LYS HA H 1 3.996 0.000 . 1 . . . . . . . . 6400 1 208 . 1 1 20 20 LYS HB2 H 1 1.948 0.024 . 2 . . . . . . . . 6400 1 209 . 1 1 20 20 LYS HE2 H 1 3.002 0.000 . 2 . . . . . . . . 6400 1 210 . 1 1 20 20 LYS HG2 H 1 1.408 0.008 . 2 . . . . . . . . 6400 1 211 . 1 1 21 21 THR C C 13 175.284 0.000 . 1 . . . . . . . . 6400 1 212 . 1 1 21 21 THR CA C 13 65.546 0.147 . 1 . . . . . . . . 6400 1 213 . 1 1 21 21 THR CB C 13 68.876 0.092 . 1 . . . . . . . . 6400 1 214 . 1 1 21 21 THR CG2 C 13 21.807 0.038 . 1 . . . . . . . . 6400 1 215 . 1 1 21 21 THR H H 1 8.108 0.007 . 1 . . . . . . . . 6400 1 216 . 1 1 21 21 THR HA H 1 4.033 0.009 . 1 . . . . . . . . 6400 1 217 . 1 1 21 21 THR HB H 1 4.265 0.007 . 1 . . . . . . . . 6400 1 218 . 1 1 21 21 THR HG21 H 1 1.295 0.018 . 1 . . . . . . . . 6400 1 219 . 1 1 21 21 THR HG22 H 1 1.295 0.018 . 1 . . . . . . . . 6400 1 220 . 1 1 21 21 THR HG23 H 1 1.295 0.018 . 1 . . . . . . . . 6400 1 221 . 1 1 21 21 THR N N 15 115.175 0.036 . 1 . . . . . . . . 6400 1 222 . 1 1 22 22 ARG C C 13 175.884 0.000 . 1 . . . . . . . . 6400 1 223 . 1 1 22 22 ARG CA C 13 55.142 0.101 . 1 . . . . . . . . 6400 1 224 . 1 1 22 22 ARG CB C 13 29.721 0.103 . 1 . . . . . . . . 6400 1 225 . 1 1 22 22 ARG CD C 13 43.227 0.071 . 1 . . . . . . . . 6400 1 226 . 1 1 22 22 ARG CG C 13 27.330 0.045 . 1 . . . . . . . . 6400 1 227 . 1 1 22 22 ARG H H 1 7.280 0.008 . 1 . . . . . . . . 6400 1 228 . 1 1 22 22 ARG HA H 1 4.357 0.007 . 1 . . . . . . . . 6400 1 229 . 1 1 22 22 ARG HB2 H 1 1.791 0.003 . 2 . . . . . . . . 6400 1 230 . 1 1 22 22 ARG HB3 H 1 2.116 0.011 . 2 . . . . . . . . 6400 1 231 . 1 1 22 22 ARG HD2 H 1 3.084 0.011 . 2 . . . . . . . . 6400 1 232 . 1 1 22 22 ARG HE H 1 7.474 0.008 . 1 . . . . . . . . 6400 1 233 . 1 1 22 22 ARG HG2 H 1 1.735 0.006 . 2 . . . . . . . . 6400 1 234 . 1 1 22 22 ARG N N 15 119.133 0.046 . 1 . . . . . . . . 6400 1 235 . 1 1 22 22 ARG NE N 15 83.340 0.031 . 1 . . . . . . . . 6400 1 236 . 1 1 23 23 GLY C C 13 173.736 0.000 . 1 . . . . . . . . 6400 1 237 . 1 1 23 23 GLY CA C 13 45.341 0.070 . 1 . . . . . . . . 6400 1 238 . 1 1 23 23 GLY H H 1 7.907 0.006 . 1 . . . . . . . . 6400 1 239 . 1 1 23 23 GLY HA2 H 1 3.668 0.009 . 2 . . . . . . . . 6400 1 240 . 1 1 23 23 GLY HA3 H 1 4.142 0.013 . 2 . . . . . . . . 6400 1 241 . 1 1 23 23 GLY N N 15 107.008 0.033 . 1 . . . . . . . . 6400 1 242 . 1 1 24 24 VAL C C 13 174.569 0.000 . 1 . . . . . . . . 6400 1 243 . 1 1 24 24 VAL CA C 13 61.701 0.083 . 1 . . . . . . . . 6400 1 244 . 1 1 24 24 VAL CB C 13 32.658 0.105 . 1 . . . . . . . . 6400 1 245 . 1 1 24 24 VAL CG1 C 13 20.551 0.012 . 2 . . . . . . . . 6400 1 246 . 1 1 24 24 VAL CG2 C 13 21.648 0.033 . 2 . . . . . . . . 6400 1 247 . 1 1 24 24 VAL H H 1 7.785 0.006 . 1 . . . . . . . . 6400 1 248 . 1 1 24 24 VAL HA H 1 3.983 0.016 . 1 . . . . . . . . 6400 1 249 . 1 1 24 24 VAL HB H 1 1.743 0.008 . 1 . . . . . . . . 6400 1 250 . 1 1 24 24 VAL HG11 H 1 0.734 0.002 . 2 . . . . . . . . 6400 1 251 . 1 1 24 24 VAL HG12 H 1 0.734 0.002 . 2 . . . . . . . . 6400 1 252 . 1 1 24 24 VAL HG13 H 1 0.734 0.002 . 2 . . . . . . . . 6400 1 253 . 1 1 24 24 VAL HG21 H 1 0.741 0.008 . 2 . . . . . . . . 6400 1 254 . 1 1 24 24 VAL HG22 H 1 0.741 0.008 . 2 . . . . . . . . 6400 1 255 . 1 1 24 24 VAL HG23 H 1 0.741 0.008 . 2 . . . . . . . . 6400 1 256 . 1 1 24 24 VAL N N 15 121.961 0.057 . 1 . . . . . . . . 6400 1 257 . 1 1 25 25 LYS C C 13 174.918 0.000 . 1 . . . . . . . . 6400 1 258 . 1 1 25 25 LYS CA C 13 55.776 0.042 . 1 . . . . . . . . 6400 1 259 . 1 1 25 25 LYS CB C 13 32.099 0.097 . 1 . . . . . . . . 6400 1 260 . 1 1 25 25 LYS CG C 13 24.792 0.000 . 1 . . . . . . . . 6400 1 261 . 1 1 25 25 LYS H H 1 8.601 0.003 . 1 . . . . . . . . 6400 1 262 . 1 1 25 25 LYS HA H 1 4.212 0.013 . 1 . . . . . . . . 6400 1 263 . 1 1 25 25 LYS HB2 H 1 1.663 0.003 . 2 . . . . . . . . 6400 1 264 . 1 1 25 25 LYS HG2 H 1 1.404 0.001 . 2 . . . . . . . . 6400 1 265 . 1 1 25 25 LYS N N 15 128.518 0.028 . 1 . . . . . . . . 6400 1 266 . 1 1 26 26 VAL C C 13 174.264 0.000 . 1 . . . . . . . . 6400 1 267 . 1 1 26 26 VAL CA C 13 59.385 0.068 . 1 . . . . . . . . 6400 1 268 . 1 1 26 26 VAL CB C 13 34.448 0.054 . 1 . . . . . . . . 6400 1 269 . 1 1 26 26 VAL CG1 C 13 20.908 0.091 . 2 . . . . . . . . 6400 1 270 . 1 1 26 26 VAL CG2 C 13 21.309 0.016 . 2 . . . . . . . . 6400 1 271 . 1 1 26 26 VAL H H 1 7.754 0.007 . 1 . . . . . . . . 6400 1 272 . 1 1 26 26 VAL HA H 1 4.414 0.013 . 1 . . . . . . . . 6400 1 273 . 1 1 26 26 VAL HB H 1 1.906 0.004 . 1 . . . . . . . . 6400 1 274 . 1 1 26 26 VAL HG11 H 1 0.733 0.007 . 2 . . . . . . . . 6400 1 275 . 1 1 26 26 VAL HG12 H 1 0.733 0.007 . 2 . . . . . . . . 6400 1 276 . 1 1 26 26 VAL HG13 H 1 0.733 0.007 . 2 . . . . . . . . 6400 1 277 . 1 1 26 26 VAL HG21 H 1 0.714 0.002 . 2 . . . . . . . . 6400 1 278 . 1 1 26 26 VAL HG22 H 1 0.714 0.002 . 2 . . . . . . . . 6400 1 279 . 1 1 26 26 VAL HG23 H 1 0.714 0.002 . 2 . . . . . . . . 6400 1 280 . 1 1 26 26 VAL N N 15 121.510 0.053 . 1 . . . . . . . . 6400 1 281 . 1 1 27 27 LYS CA C 13 55.580 0.120 . 1 . . . . . . . . 6400 1 282 . 1 1 27 27 LYS CB C 13 32.605 0.035 . 1 . . . . . . . . 6400 1 283 . 1 1 27 27 LYS CD C 13 28.916 0.023 . 1 . . . . . . . . 6400 1 284 . 1 1 27 27 LYS CE C 13 42.037 0.031 . 1 . . . . . . . . 6400 1 285 . 1 1 27 27 LYS CG C 13 24.718 0.008 . 1 . . . . . . . . 6400 1 286 . 1 1 27 27 LYS H H 1 8.808 0.005 . 1 . . . . . . . . 6400 1 287 . 1 1 27 27 LYS HA H 1 4.421 0.006 . 1 . . . . . . . . 6400 1 288 . 1 1 27 27 LYS HB2 H 1 1.870 0.001 . 2 . . . . . . . . 6400 1 289 . 1 1 27 27 LYS HD2 H 1 1.639 0.002 . 2 . . . . . . . . 6400 1 290 . 1 1 27 27 LYS HE2 H 1 2.809 0.014 . 2 . . . . . . . . 6400 1 291 . 1 1 27 27 LYS HG2 H 1 1.599 0.000 . 2 . . . . . . . . 6400 1 292 . 1 1 27 27 LYS N N 15 124.047 0.032 . 1 . . . . . . . . 6400 1 293 . 1 1 28 28 TYR C C 13 176.586 0.000 . 1 . . . . . . . . 6400 1 294 . 1 1 28 28 TYR CA C 13 62.629 0.040 . 1 . . . . . . . . 6400 1 295 . 1 1 28 28 TYR CB C 13 38.401 0.081 . 1 . . . . . . . . 6400 1 296 . 1 1 28 28 TYR HA H 1 3.749 0.014 . 1 . . . . . . . . 6400 1 297 . 1 1 28 28 TYR HB2 H 1 3.050 0.007 . 2 . . . . . . . . 6400 1 298 . 1 1 28 28 TYR HD1 H 1 6.929 0.000 . 3 . . . . . . . . 6400 1 299 . 1 1 28 28 TYR HD2 H 1 6.820 0.000 . 3 . . . . . . . . 6400 1 300 . 1 1 29 29 ALA C C 13 180.199 0.000 . 1 . . . . . . . . 6400 1 301 . 1 1 29 29 ALA CA C 13 55.047 0.065 . 1 . . . . . . . . 6400 1 302 . 1 1 29 29 ALA CB C 13 18.705 0.120 . 1 . . . . . . . . 6400 1 303 . 1 1 29 29 ALA H H 1 9.092 0.007 . 1 . . . . . . . . 6400 1 304 . 1 1 29 29 ALA HA H 1 3.805 0.005 . 1 . . . . . . . . 6400 1 305 . 1 1 29 29 ALA HB1 H 1 1.422 0.008 . 1 . . . . . . . . 6400 1 306 . 1 1 29 29 ALA HB2 H 1 1.422 0.008 . 1 . . . . . . . . 6400 1 307 . 1 1 29 29 ALA HB3 H 1 1.422 0.008 . 1 . . . . . . . . 6400 1 308 . 1 1 29 29 ALA N N 15 117.605 0.055 . 1 . . . . . . . . 6400 1 309 . 1 1 30 30 ASP C C 13 178.670 0.000 . 1 . . . . . . . . 6400 1 310 . 1 1 30 30 ASP CA C 13 56.708 0.051 . 1 . . . . . . . . 6400 1 311 . 1 1 30 30 ASP CB C 13 40.470 0.059 . 1 . . . . . . . . 6400 1 312 . 1 1 30 30 ASP H H 1 6.755 0.008 . 1 . . . . . . . . 6400 1 313 . 1 1 30 30 ASP HA H 1 4.456 0.006 . 1 . . . . . . . . 6400 1 314 . 1 1 30 30 ASP HB2 H 1 2.755 0.017 . 2 . . . . . . . . 6400 1 315 . 1 1 30 30 ASP HB3 H 1 2.830 0.007 . 2 . . . . . . . . 6400 1 316 . 1 1 30 30 ASP N N 15 115.768 0.041 . 1 . . . . . . . . 6400 1 317 . 1 1 31 31 LEU C C 13 178.562 0.000 . 1 . . . . . . . . 6400 1 318 . 1 1 31 31 LEU CA C 13 57.018 0.090 . 1 . . . . . . . . 6400 1 319 . 1 1 31 31 LEU CB C 13 41.922 0.067 . 1 . . . . . . . . 6400 1 320 . 1 1 31 31 LEU CD1 C 13 23.575 0.039 . 2 . . . . . . . . 6400 1 321 . 1 1 31 31 LEU CG C 13 26.340 0.000 . 1 . . . . . . . . 6400 1 322 . 1 1 31 31 LEU H H 1 7.812 0.005 . 1 . . . . . . . . 6400 1 323 . 1 1 31 31 LEU HA H 1 3.992 0.010 . 1 . . . . . . . . 6400 1 324 . 1 1 31 31 LEU HB2 H 1 1.291 0.007 . 2 . . . . . . . . 6400 1 325 . 1 1 31 31 LEU HB3 H 1 1.607 0.011 . 2 . . . . . . . . 6400 1 326 . 1 1 31 31 LEU HD11 H 1 0.715 0.005 . 2 . . . . . . . . 6400 1 327 . 1 1 31 31 LEU HD12 H 1 0.715 0.005 . 2 . . . . . . . . 6400 1 328 . 1 1 31 31 LEU HD13 H 1 0.715 0.005 . 2 . . . . . . . . 6400 1 329 . 1 1 31 31 LEU N N 15 123.368 0.048 . 1 . . . . . . . . 6400 1 330 . 1 1 32 32 LEU C C 13 179.411 0.000 . 1 . . . . . . . . 6400 1 331 . 1 1 32 32 LEU CA C 13 58.616 0.034 . 1 . . . . . . . . 6400 1 332 . 1 1 32 32 LEU CB C 13 41.706 0.065 . 1 . . . . . . . . 6400 1 333 . 1 1 32 32 LEU CD1 C 13 23.804 0.000 . 2 . . . . . . . . 6400 1 334 . 1 1 32 32 LEU CD2 C 13 24.635 0.000 . 2 . . . . . . . . 6400 1 335 . 1 1 32 32 LEU CG C 13 26.526 0.083 . 1 . . . . . . . . 6400 1 336 . 1 1 32 32 LEU H H 1 8.636 0.006 . 1 . . . . . . . . 6400 1 337 . 1 1 32 32 LEU HA H 1 3.955 0.004 . 1 . . . . . . . . 6400 1 338 . 1 1 32 32 LEU HB2 H 1 1.135 0.010 . 2 . . . . . . . . 6400 1 339 . 1 1 32 32 LEU HB3 H 1 1.623 0.012 . 2 . . . . . . . . 6400 1 340 . 1 1 32 32 LEU HD11 H 1 0.636 0.018 . 2 . . . . . . . . 6400 1 341 . 1 1 32 32 LEU HD12 H 1 0.636 0.018 . 2 . . . . . . . . 6400 1 342 . 1 1 32 32 LEU HD13 H 1 0.636 0.018 . 2 . . . . . . . . 6400 1 343 . 1 1 32 32 LEU HD21 H 1 0.877 0.003 . 2 . . . . . . . . 6400 1 344 . 1 1 32 32 LEU HD22 H 1 0.877 0.003 . 2 . . . . . . . . 6400 1 345 . 1 1 32 32 LEU HD23 H 1 0.877 0.003 . 2 . . . . . . . . 6400 1 346 . 1 1 32 32 LEU N N 15 120.406 0.041 . 1 . . . . . . . . 6400 1 347 . 1 1 33 33 LYS C C 13 179.890 0.000 . 1 . . . . . . . . 6400 1 348 . 1 1 33 33 LYS CA C 13 59.209 0.042 . 1 . . . . . . . . 6400 1 349 . 1 1 33 33 LYS CB C 13 32.019 0.086 . 1 . . . . . . . . 6400 1 350 . 1 1 33 33 LYS CD C 13 29.073 0.000 . 1 . . . . . . . . 6400 1 351 . 1 1 33 33 LYS CG C 13 25.200 0.023 . 1 . . . . . . . . 6400 1 352 . 1 1 33 33 LYS H H 1 7.574 0.010 . 1 . . . . . . . . 6400 1 353 . 1 1 33 33 LYS HA H 1 4.136 0.004 . 1 . . . . . . . . 6400 1 354 . 1 1 33 33 LYS HB2 H 1 1.935 0.006 . 2 . . . . . . . . 6400 1 355 . 1 1 33 33 LYS HD2 H 1 1.658 0.005 . 2 . . . . . . . . 6400 1 356 . 1 1 33 33 LYS HE2 H 1 2.960 0.005 . 2 . . . . . . . . 6400 1 357 . 1 1 33 33 LYS HG2 H 1 1.504 0.004 . 2 . . . . . . . . 6400 1 358 . 1 1 33 33 LYS N N 15 118.487 0.082 . 1 . . . . . . . . 6400 1 359 . 1 1 34 34 PHE C C 13 176.964 0.000 . 1 . . . . . . . . 6400 1 360 . 1 1 34 34 PHE CA C 13 61.023 0.056 . 1 . . . . . . . . 6400 1 361 . 1 1 34 34 PHE CB C 13 38.006 0.111 . 1 . . . . . . . . 6400 1 362 . 1 1 34 34 PHE H H 1 7.910 0.006 . 1 . . . . . . . . 6400 1 363 . 1 1 34 34 PHE HA H 1 4.318 0.006 . 1 . . . . . . . . 6400 1 364 . 1 1 34 34 PHE HB2 H 1 3.097 0.012 . 2 . . . . . . . . 6400 1 365 . 1 1 34 34 PHE HD1 H 1 6.685 0.009 . 3 . . . . . . . . 6400 1 366 . 1 1 34 34 PHE HD2 H 1 6.972 0.000 . 3 . . . . . . . . 6400 1 367 . 1 1 34 34 PHE HE1 H 1 7.002 0.008 . 3 . . . . . . . . 6400 1 368 . 1 1 34 34 PHE N N 15 121.432 0.039 . 1 . . . . . . . . 6400 1 369 . 1 1 35 35 PHE C C 13 178.964 0.000 . 1 . . . . . . . . 6400 1 370 . 1 1 35 35 PHE CA C 13 64.359 0.166 . 1 . . . . . . . . 6400 1 371 . 1 1 35 35 PHE CB C 13 37.297 0.112 . 1 . . . . . . . . 6400 1 372 . 1 1 35 35 PHE H H 1 8.423 0.008 . 1 . . . . . . . . 6400 1 373 . 1 1 35 35 PHE HA H 1 3.875 0.011 . 1 . . . . . . . . 6400 1 374 . 1 1 35 35 PHE HB2 H 1 2.856 0.000 . 2 . . . . . . . . 6400 1 375 . 1 1 35 35 PHE N N 15 117.522 0.040 . 1 . . . . . . . . 6400 1 376 . 1 1 36 36 ASP C C 13 177.613 0.000 . 1 . . . . . . . . 6400 1 377 . 1 1 36 36 ASP CA C 13 57.594 0.091 . 1 . . . . . . . . 6400 1 378 . 1 1 36 36 ASP CB C 13 39.538 0.040 . 1 . . . . . . . . 6400 1 379 . 1 1 36 36 ASP H H 1 8.335 0.008 . 1 . . . . . . . . 6400 1 380 . 1 1 36 36 ASP HA H 1 4.591 0.012 . 1 . . . . . . . . 6400 1 381 . 1 1 36 36 ASP HB2 H 1 2.731 0.012 . 2 . . . . . . . . 6400 1 382 . 1 1 36 36 ASP HB3 H 1 2.935 0.007 . 2 . . . . . . . . 6400 1 383 . 1 1 36 36 ASP N N 15 125.139 0.048 . 1 . . . . . . . . 6400 1 384 . 1 1 37 37 PHE CA C 13 61.320 0.067 . 1 . . . . . . . . 6400 1 385 . 1 1 37 37 PHE CB C 13 38.163 0.012 . 1 . . . . . . . . 6400 1 386 . 1 1 37 37 PHE H H 1 7.588 0.006 . 1 . . . . . . . . 6400 1 387 . 1 1 37 37 PHE HA H 1 4.302 0.000 . 1 . . . . . . . . 6400 1 388 . 1 1 37 37 PHE HB2 H 1 3.154 0.008 . 2 . . . . . . . . 6400 1 389 . 1 1 37 37 PHE HD1 H 1 6.691 0.034 . 3 . . . . . . . . 6400 1 390 . 1 1 37 37 PHE N N 15 123.227 0.033 . 1 . . . . . . . . 6400 1 391 . 1 1 38 38 VAL C C 13 176.386 0.000 . 1 . . . . . . . . 6400 1 392 . 1 1 38 38 VAL CA C 13 67.048 0.047 . 1 . . . . . . . . 6400 1 393 . 1 1 38 38 VAL CB C 13 31.005 0.009 . 1 . . . . . . . . 6400 1 394 . 1 1 38 38 VAL CG1 C 13 23.305 0.038 . 2 . . . . . . . . 6400 1 395 . 1 1 38 38 VAL H H 1 8.224 0.000 . 1 . . . . . . . . 6400 1 396 . 1 1 38 38 VAL HA H 1 4.302 0.016 . 1 . . . . . . . . 6400 1 397 . 1 1 38 38 VAL HB H 1 2.924 0.011 . 1 . . . . . . . . 6400 1 398 . 1 1 38 38 VAL HG11 H 1 0.203 0.005 . 2 . . . . . . . . 6400 1 399 . 1 1 38 38 VAL HG12 H 1 0.203 0.005 . 2 . . . . . . . . 6400 1 400 . 1 1 38 38 VAL HG13 H 1 0.203 0.005 . 2 . . . . . . . . 6400 1 401 . 1 1 38 38 VAL N N 15 125.445 0.000 . 1 . . . . . . . . 6400 1 402 . 1 1 39 39 LYS C C 13 177.220 0.000 . 1 . . . . . . . . 6400 1 403 . 1 1 39 39 LYS CA C 13 58.870 0.063 . 1 . . . . . . . . 6400 1 404 . 1 1 39 39 LYS CB C 13 31.451 0.079 . 1 . . . . . . . . 6400 1 405 . 1 1 39 39 LYS CD C 13 27.739 0.000 . 1 . . . . . . . . 6400 1 406 . 1 1 39 39 LYS CE C 13 43.180 0.000 . 1 . . . . . . . . 6400 1 407 . 1 1 39 39 LYS CG C 13 25.782 0.000 . 1 . . . . . . . . 6400 1 408 . 1 1 39 39 LYS H H 1 7.688 0.006 . 1 . . . . . . . . 6400 1 409 . 1 1 39 39 LYS HA H 1 3.749 0.014 . 1 . . . . . . . . 6400 1 410 . 1 1 39 39 LYS HB2 H 1 1.780 0.014 . 2 . . . . . . . . 6400 1 411 . 1 1 39 39 LYS HB3 H 1 2.004 0.008 . 2 . . . . . . . . 6400 1 412 . 1 1 39 39 LYS HE2 H 1 3.149 0.004 . 2 . . . . . . . . 6400 1 413 . 1 1 39 39 LYS HG2 H 1 1.585 0.005 . 2 . . . . . . . . 6400 1 414 . 1 1 39 39 LYS N N 15 119.944 0.061 . 1 . . . . . . . . 6400 1 415 . 1 1 40 40 ASP C C 13 177.888 0.000 . 1 . . . . . . . . 6400 1 416 . 1 1 40 40 ASP CA C 13 56.703 0.030 . 1 . . . . . . . . 6400 1 417 . 1 1 40 40 ASP CB C 13 41.024 0.050 . 1 . . . . . . . . 6400 1 418 . 1 1 40 40 ASP H H 1 7.563 0.008 . 1 . . . . . . . . 6400 1 419 . 1 1 40 40 ASP HA H 1 4.174 0.021 . 1 . . . . . . . . 6400 1 420 . 1 1 40 40 ASP HB2 H 1 2.435 0.007 . 2 . . . . . . . . 6400 1 421 . 1 1 40 40 ASP N N 15 116.386 0.060 . 1 . . . . . . . . 6400 1 422 . 1 1 41 41 THR C C 13 175.215 0.000 . 1 . . . . . . . . 6400 1 423 . 1 1 41 41 THR CA C 13 63.975 0.090 . 1 . . . . . . . . 6400 1 424 . 1 1 41 41 THR CB C 13 69.827 0.078 . 1 . . . . . . . . 6400 1 425 . 1 1 41 41 THR CG2 C 13 21.846 0.027 . 1 . . . . . . . . 6400 1 426 . 1 1 41 41 THR H H 1 7.496 0.005 . 1 . . . . . . . . 6400 1 427 . 1 1 41 41 THR HA H 1 3.779 0.010 . 1 . . . . . . . . 6400 1 428 . 1 1 41 41 THR HB H 1 3.525 0.004 . 1 . . . . . . . . 6400 1 429 . 1 1 41 41 THR HG21 H 1 0.307 0.014 . 1 . . . . . . . . 6400 1 430 . 1 1 41 41 THR HG22 H 1 0.307 0.014 . 1 . . . . . . . . 6400 1 431 . 1 1 41 41 THR HG23 H 1 0.307 0.014 . 1 . . . . . . . . 6400 1 432 . 1 1 41 41 THR N N 15 109.023 0.036 . 1 . . . . . . . . 6400 1 433 . 1 1 42 42 CYS CA C 13 55.549 0.101 . 1 . . . . . . . . 6400 1 434 . 1 1 42 42 CYS CB C 13 27.917 0.105 . 1 . . . . . . . . 6400 1 435 . 1 1 42 42 CYS H H 1 8.251 0.007 . 1 . . . . . . . . 6400 1 436 . 1 1 42 42 CYS HA H 1 4.534 0.003 . 1 . . . . . . . . 6400 1 437 . 1 1 42 42 CYS HB2 H 1 2.670 0.008 . 2 . . . . . . . . 6400 1 438 . 1 1 42 42 CYS HB3 H 1 2.941 0.019 . 2 . . . . . . . . 6400 1 439 . 1 1 42 42 CYS N N 15 117.985 0.031 . 1 . . . . . . . . 6400 1 440 . 1 1 43 43 PRO CA C 13 65.212 0.086 . 1 . . . . . . . . 6400 1 441 . 1 1 43 43 PRO CB C 13 31.175 0.030 . 1 . . . . . . . . 6400 1 442 . 1 1 43 43 PRO CD C 13 50.812 0.000 . 1 . . . . . . . . 6400 1 443 . 1 1 43 43 PRO CG C 13 27.261 0.003 . 1 . . . . . . . . 6400 1 444 . 1 1 43 43 PRO HA H 1 4.364 0.003 . 1 . . . . . . . . 6400 1 445 . 1 1 43 43 PRO HB2 H 1 1.979 0.008 . 2 . . . . . . . . 6400 1 446 . 1 1 43 43 PRO HB3 H 1 2.439 0.000 . 2 . . . . . . . . 6400 1 447 . 1 1 43 43 PRO HD2 H 1 3.599 0.005 . 2 . . . . . . . . 6400 1 448 . 1 1 43 43 PRO HG2 H 1 2.086 0.000 . 2 . . . . . . . . 6400 1 449 . 1 1 44 44 TRP C C 13 175.490 0.000 . 1 . . . . . . . . 6400 1 450 . 1 1 44 44 TRP CA C 13 53.951 0.061 . 1 . . . . . . . . 6400 1 451 . 1 1 44 44 TRP CB C 13 29.571 0.000 . 1 . . . . . . . . 6400 1 452 . 1 1 44 44 TRP H H 1 6.396 0.012 . 1 . . . . . . . . 6400 1 453 . 1 1 44 44 TRP HA H 1 4.300 0.018 . 1 . . . . . . . . 6400 1 454 . 1 1 44 44 TRP HB2 H 1 3.673 0.001 . 2 . . . . . . . . 6400 1 455 . 1 1 44 44 TRP HD1 H 1 7.351 0.000 . 1 . . . . . . . . 6400 1 456 . 1 1 44 44 TRP HE1 H 1 10.524 0.000 . 1 . . . . . . . . 6400 1 457 . 1 1 44 44 TRP N N 15 112.467 0.033 . 1 . . . . . . . . 6400 1 458 . 1 1 45 45 PHE H H 1 7.135 0.010 . 1 . . . . . . . . 6400 1 459 . 1 1 45 45 PHE HA H 1 4.316 0.000 . 1 . . . . . . . . 6400 1 460 . 1 1 45 45 PHE HB2 H 1 1.381 0.000 . 2 . . . . . . . . 6400 1 461 . 1 1 45 45 PHE HB3 H 1 2.610 0.000 . 2 . . . . . . . . 6400 1 462 . 1 1 45 45 PHE N N 15 126.047 0.053 . 1 . . . . . . . . 6400 1 463 . 1 1 46 46 PRO C C 13 175.788 0.000 . 1 . . . . . . . . 6400 1 464 . 1 1 46 46 PRO CA C 13 62.720 0.065 . 1 . . . . . . . . 6400 1 465 . 1 1 46 46 PRO CB C 13 34.174 0.154 . 1 . . . . . . . . 6400 1 466 . 1 1 46 46 PRO CD C 13 50.223 0.123 . 1 . . . . . . . . 6400 1 467 . 1 1 46 46 PRO CG C 13 26.983 0.049 . 1 . . . . . . . . 6400 1 468 . 1 1 46 46 PRO HA H 1 4.694 0.002 . 1 . . . . . . . . 6400 1 469 . 1 1 46 46 PRO HB2 H 1 2.277 0.000 . 2 . . . . . . . . 6400 1 470 . 1 1 46 46 PRO HB3 H 1 2.013 0.001 . 2 . . . . . . . . 6400 1 471 . 1 1 46 46 PRO HD3 H 1 3.091 0.003 . 2 . . . . . . . . 6400 1 472 . 1 1 46 46 PRO HG2 H 1 1.616 0.000 . 2 . . . . . . . . 6400 1 473 . 1 1 46 46 PRO HG3 H 1 1.817 0.000 . 2 . . . . . . . . 6400 1 474 . 1 1 47 47 GLN C C 13 176.016 0.000 . 1 . . . . . . . . 6400 1 475 . 1 1 47 47 GLN CA C 13 56.258 0.120 . 1 . . . . . . . . 6400 1 476 . 1 1 47 47 GLN CB C 13 29.388 0.075 . 1 . . . . . . . . 6400 1 477 . 1 1 47 47 GLN H H 1 8.534 0.003 . 1 . . . . . . . . 6400 1 478 . 1 1 47 47 GLN HA H 1 4.232 0.001 . 1 . . . . . . . . 6400 1 479 . 1 1 47 47 GLN HB2 H 1 1.789 0.000 . 2 . . . . . . . . 6400 1 480 . 1 1 47 47 GLN N N 15 119.967 0.043 . 1 . . . . . . . . 6400 1 481 . 1 1 48 48 GLU C C 13 175.324 0.000 . 1 . . . . . . . . 6400 1 482 . 1 1 48 48 GLU CA C 13 56.650 0.098 . 1 . . . . . . . . 6400 1 483 . 1 1 48 48 GLU CB C 13 30.057 0.000 . 1 . . . . . . . . 6400 1 484 . 1 1 48 48 GLU H H 1 8.246 0.003 . 1 . . . . . . . . 6400 1 485 . 1 1 48 48 GLU HA H 1 3.964 0.012 . 1 . . . . . . . . 6400 1 486 . 1 1 48 48 GLU HB2 H 1 1.702 0.009 . 2 . . . . . . . . 6400 1 487 . 1 1 48 48 GLU N N 15 125.506 0.127 . 1 . . . . . . . . 6400 1 488 . 1 1 49 49 GLY C C 13 173.354 0.000 . 1 . . . . . . . . 6400 1 489 . 1 1 49 49 GLY CA C 13 45.119 0.085 . 1 . . . . . . . . 6400 1 490 . 1 1 49 49 GLY H H 1 8.511 0.079 . 1 . . . . . . . . 6400 1 491 . 1 1 49 49 GLY HA2 H 1 3.705 0.003 . 2 . . . . . . . . 6400 1 492 . 1 1 49 49 GLY HA3 H 1 3.930 0.006 . 2 . . . . . . . . 6400 1 493 . 1 1 49 49 GLY N N 15 110.247 0.403 . 1 . . . . . . . . 6400 1 494 . 1 1 50 50 THR C C 13 174.396 0.000 . 1 . . . . . . . . 6400 1 495 . 1 1 50 50 THR CA C 13 61.709 0.109 . 1 . . . . . . . . 6400 1 496 . 1 1 50 50 THR CB C 13 69.948 0.078 . 1 . . . . . . . . 6400 1 497 . 1 1 50 50 THR CG2 C 13 21.617 0.014 . 1 . . . . . . . . 6400 1 498 . 1 1 50 50 THR H H 1 8.049 0.007 . 1 . . . . . . . . 6400 1 499 . 1 1 50 50 THR HA H 1 4.171 0.013 . 1 . . . . . . . . 6400 1 500 . 1 1 50 50 THR HB H 1 3.961 0.008 . 1 . . . . . . . . 6400 1 501 . 1 1 50 50 THR HG21 H 1 1.112 0.008 . 1 . . . . . . . . 6400 1 502 . 1 1 50 50 THR HG22 H 1 1.112 0.008 . 1 . . . . . . . . 6400 1 503 . 1 1 50 50 THR HG23 H 1 1.112 0.008 . 1 . . . . . . . . 6400 1 504 . 1 1 50 50 THR N N 15 115.550 0.052 . 1 . . . . . . . . 6400 1 505 . 1 1 51 51 ILE C C 13 174.173 0.000 . 1 . . . . . . . . 6400 1 506 . 1 1 51 51 ILE CA C 13 62.753 0.091 . 1 . . . . . . . . 6400 1 507 . 1 1 51 51 ILE CB C 13 38.408 0.079 . 1 . . . . . . . . 6400 1 508 . 1 1 51 51 ILE CD1 C 13 13.488 0.065 . 1 . . . . . . . . 6400 1 509 . 1 1 51 51 ILE CG1 C 13 28.186 0.033 . 1 . . . . . . . . 6400 1 510 . 1 1 51 51 ILE CG2 C 13 18.620 0.094 . 1 . . . . . . . . 6400 1 511 . 1 1 51 51 ILE H H 1 8.571 0.008 . 1 . . . . . . . . 6400 1 512 . 1 1 51 51 ILE HA H 1 4.059 0.010 . 1 . . . . . . . . 6400 1 513 . 1 1 51 51 ILE HB H 1 1.481 0.022 . 1 . . . . . . . . 6400 1 514 . 1 1 51 51 ILE HD11 H 1 0.444 0.006 . 1 . . . . . . . . 6400 1 515 . 1 1 51 51 ILE HD12 H 1 0.444 0.006 . 1 . . . . . . . . 6400 1 516 . 1 1 51 51 ILE HD13 H 1 0.444 0.006 . 1 . . . . . . . . 6400 1 517 . 1 1 51 51 ILE HG12 H 1 1.170 0.007 . 2 . . . . . . . . 6400 1 518 . 1 1 51 51 ILE HG21 H 1 0.669 0.009 . 1 . . . . . . . . 6400 1 519 . 1 1 51 51 ILE HG22 H 1 0.669 0.009 . 1 . . . . . . . . 6400 1 520 . 1 1 51 51 ILE HG23 H 1 0.669 0.009 . 1 . . . . . . . . 6400 1 521 . 1 1 51 51 ILE N N 15 126.161 0.093 . 1 . . . . . . . . 6400 1 522 . 1 1 52 52 ASP C C 13 176.920 0.000 . 1 . . . . . . . . 6400 1 523 . 1 1 52 52 ASP CA C 13 52.241 0.057 . 1 . . . . . . . . 6400 1 524 . 1 1 52 52 ASP CB C 13 43.943 0.015 . 1 . . . . . . . . 6400 1 525 . 1 1 52 52 ASP H H 1 8.249 0.008 . 1 . . . . . . . . 6400 1 526 . 1 1 52 52 ASP HA H 1 4.878 0.014 . 1 . . . . . . . . 6400 1 527 . 1 1 52 52 ASP HB2 H 1 2.693 0.008 . 2 . . . . . . . . 6400 1 528 . 1 1 52 52 ASP HB3 H 1 2.913 0.010 . 2 . . . . . . . . 6400 1 529 . 1 1 52 52 ASP N N 15 126.318 0.054 . 1 . . . . . . . . 6400 1 530 . 1 1 53 53 ILE C C 13 176.165 0.000 . 1 . . . . . . . . 6400 1 531 . 1 1 53 53 ILE CA C 13 62.531 0.051 . 1 . . . . . . . . 6400 1 532 . 1 1 53 53 ILE CB C 13 38.223 0.069 . 1 . . . . . . . . 6400 1 533 . 1 1 53 53 ILE CD1 C 13 14.268 0.087 . 1 . . . . . . . . 6400 1 534 . 1 1 53 53 ILE CG1 C 13 29.266 0.080 . 1 . . . . . . . . 6400 1 535 . 1 1 53 53 ILE CG2 C 13 18.230 0.100 . 1 . . . . . . . . 6400 1 536 . 1 1 53 53 ILE H H 1 8.957 0.010 . 1 . . . . . . . . 6400 1 537 . 1 1 53 53 ILE HA H 1 4.098 0.006 . 1 . . . . . . . . 6400 1 538 . 1 1 53 53 ILE HB H 1 1.885 0.011 . 1 . . . . . . . . 6400 1 539 . 1 1 53 53 ILE HD11 H 1 0.991 0.009 . 1 . . . . . . . . 6400 1 540 . 1 1 53 53 ILE HD12 H 1 0.991 0.009 . 1 . . . . . . . . 6400 1 541 . 1 1 53 53 ILE HD13 H 1 0.991 0.009 . 1 . . . . . . . . 6400 1 542 . 1 1 53 53 ILE HG12 H 1 1.463 0.006 . 2 . . . . . . . . 6400 1 543 . 1 1 53 53 ILE HG21 H 1 1.040 0.008 . 1 . . . . . . . . 6400 1 544 . 1 1 53 53 ILE HG22 H 1 1.040 0.008 . 1 . . . . . . . . 6400 1 545 . 1 1 53 53 ILE HG23 H 1 1.040 0.008 . 1 . . . . . . . . 6400 1 546 . 1 1 53 53 ILE N N 15 124.780 0.051 . 1 . . . . . . . . 6400 1 547 . 1 1 54 54 LYS C C 13 180.886 0.000 . 1 . . . . . . . . 6400 1 548 . 1 1 54 54 LYS CA C 13 60.308 0.032 . 1 . . . . . . . . 6400 1 549 . 1 1 54 54 LYS CB C 13 31.516 0.054 . 1 . . . . . . . . 6400 1 550 . 1 1 54 54 LYS CD C 13 29.053 0.012 . 1 . . . . . . . . 6400 1 551 . 1 1 54 54 LYS CE C 13 42.146 0.000 . 1 . . . . . . . . 6400 1 552 . 1 1 54 54 LYS CG C 13 25.436 0.068 . 1 . . . . . . . . 6400 1 553 . 1 1 54 54 LYS H H 1 8.199 0.008 . 1 . . . . . . . . 6400 1 554 . 1 1 54 54 LYS HA H 1 4.105 0.007 . 1 . . . . . . . . 6400 1 555 . 1 1 54 54 LYS HB2 H 1 1.879 0.000 . 2 . . . . . . . . 6400 1 556 . 1 1 54 54 LYS HB3 H 1 1.966 0.014 . 2 . . . . . . . . 6400 1 557 . 1 1 54 54 LYS HD2 H 1 1.572 0.002 . 2 . . . . . . . . 6400 1 558 . 1 1 54 54 LYS HE2 H 1 2.758 0.000 . 2 . . . . . . . . 6400 1 559 . 1 1 54 54 LYS HG2 H 1 1.369 0.014 . 2 . . . . . . . . 6400 1 560 . 1 1 54 54 LYS N N 15 122.739 0.059 . 1 . . . . . . . . 6400 1 561 . 1 1 55 55 ARG C C 13 178.879 0.000 . 1 . . . . . . . . 6400 1 562 . 1 1 55 55 ARG CA C 13 60.161 0.072 . 1 . . . . . . . . 6400 1 563 . 1 1 55 55 ARG CB C 13 30.694 0.009 . 1 . . . . . . . . 6400 1 564 . 1 1 55 55 ARG H H 1 8.350 0.007 . 1 . . . . . . . . 6400 1 565 . 1 1 55 55 ARG HA H 1 4.364 0.001 . 1 . . . . . . . . 6400 1 566 . 1 1 55 55 ARG N N 15 119.208 0.061 . 1 . . . . . . . . 6400 1 567 . 1 1 56 56 TRP C C 13 180.192 0.000 . 1 . . . . . . . . 6400 1 568 . 1 1 56 56 TRP CA C 13 59.482 0.111 . 1 . . . . . . . . 6400 1 569 . 1 1 56 56 TRP CB C 13 30.444 0.013 . 1 . . . . . . . . 6400 1 570 . 1 1 56 56 TRP H H 1 9.098 0.006 . 1 . . . . . . . . 6400 1 571 . 1 1 56 56 TRP HA H 1 4.697 0.014 . 1 . . . . . . . . 6400 1 572 . 1 1 56 56 TRP HB2 H 1 3.314 0.018 . 2 . . . . . . . . 6400 1 573 . 1 1 56 56 TRP HE1 H 1 9.805 0.000 . 1 . . . . . . . . 6400 1 574 . 1 1 56 56 TRP HE3 H 1 7.201 0.004 . 2 . . . . . . . . 6400 1 575 . 1 1 56 56 TRP HZ3 H 1 6.272 0.000 . 1 . . . . . . . . 6400 1 576 . 1 1 56 56 TRP N N 15 120.596 0.041 . 1 . . . . . . . . 6400 1 577 . 1 1 57 57 ARG C C 13 178.203 0.000 . 1 . . . . . . . . 6400 1 578 . 1 1 57 57 ARG CA C 13 60.488 0.078 . 1 . . . . . . . . 6400 1 579 . 1 1 57 57 ARG CB C 13 29.808 0.051 . 1 . . . . . . . . 6400 1 580 . 1 1 57 57 ARG CD C 13 43.504 0.024 . 1 . . . . . . . . 6400 1 581 . 1 1 57 57 ARG CG C 13 28.196 0.019 . 1 . . . . . . . . 6400 1 582 . 1 1 57 57 ARG H H 1 9.049 0.009 . 1 . . . . . . . . 6400 1 583 . 1 1 57 57 ARG HA H 1 4.345 0.013 . 1 . . . . . . . . 6400 1 584 . 1 1 57 57 ARG HB2 H 1 2.092 0.002 . 2 . . . . . . . . 6400 1 585 . 1 1 57 57 ARG HD2 H 1 3.224 0.003 . 2 . . . . . . . . 6400 1 586 . 1 1 57 57 ARG HD3 H 1 3.309 0.006 . 2 . . . . . . . . 6400 1 587 . 1 1 57 57 ARG HE H 1 7.452 0.010 . 1 . . . . . . . . 6400 1 588 . 1 1 57 57 ARG HG2 H 1 1.806 0.005 . 2 . . . . . . . . 6400 1 589 . 1 1 57 57 ARG N N 15 120.508 0.030 . 1 . . . . . . . . 6400 1 590 . 1 1 57 57 ARG NE N 15 85.244 0.064 . 1 . . . . . . . . 6400 1 591 . 1 1 58 58 ARG CA C 13 59.688 0.180 . 1 . . . . . . . . 6400 1 592 . 1 1 58 58 ARG CB C 13 29.660 0.040 . 1 . . . . . . . . 6400 1 593 . 1 1 58 58 ARG CD C 13 43.212 0.075 . 1 . . . . . . . . 6400 1 594 . 1 1 58 58 ARG CG C 13 27.192 0.038 . 1 . . . . . . . . 6400 1 595 . 1 1 58 58 ARG H H 1 7.436 0.007 . 1 . . . . . . . . 6400 1 596 . 1 1 58 58 ARG HA H 1 4.170 0.007 . 1 . . . . . . . . 6400 1 597 . 1 1 58 58 ARG HB2 H 1 2.099 0.000 . 1 . . . . . . . . 6400 1 598 . 1 1 58 58 ARG HB3 H 1 2.099 0.000 . 1 . . . . . . . . 6400 1 599 . 1 1 58 58 ARG HD2 H 1 2.595 0.007 . 2 . . . . . . . . 6400 1 600 . 1 1 58 58 ARG HD3 H 1 2.817 0.022 . 2 . . . . . . . . 6400 1 601 . 1 1 58 58 ARG HG2 H 1 1.835 0.000 . 2 . . . . . . . . 6400 1 602 . 1 1 58 58 ARG N N 15 120.325 0.032 . 1 . . . . . . . . 6400 1 603 . 1 1 59 59 VAL C C 13 176.618 0.000 . 1 . . . . . . . . 6400 1 604 . 1 1 59 59 VAL CA C 13 66.174 0.061 . 1 . . . . . . . . 6400 1 605 . 1 1 59 59 VAL CB C 13 31.227 0.034 . 1 . . . . . . . . 6400 1 606 . 1 1 59 59 VAL CG1 C 13 20.543 0.044 . 2 . . . . . . . . 6400 1 607 . 1 1 59 59 VAL CG2 C 13 22.651 0.103 . 2 . . . . . . . . 6400 1 608 . 1 1 59 59 VAL HA H 1 3.610 0.012 . 1 . . . . . . . . 6400 1 609 . 1 1 59 59 VAL HB H 1 1.441 0.001 . 1 . . . . . . . . 6400 1 610 . 1 1 59 59 VAL HG11 H 1 -0.542 0.007 . 2 . . . . . . . . 6400 1 611 . 1 1 59 59 VAL HG12 H 1 -0.542 0.007 . 2 . . . . . . . . 6400 1 612 . 1 1 59 59 VAL HG13 H 1 -0.542 0.007 . 2 . . . . . . . . 6400 1 613 . 1 1 59 59 VAL HG21 H 1 0.507 0.012 . 2 . . . . . . . . 6400 1 614 . 1 1 59 59 VAL HG22 H 1 0.507 0.012 . 2 . . . . . . . . 6400 1 615 . 1 1 59 59 VAL HG23 H 1 0.507 0.012 . 2 . . . . . . . . 6400 1 616 . 1 1 60 60 GLY C C 13 175.844 0.000 . 1 . . . . . . . . 6400 1 617 . 1 1 60 60 GLY CA C 13 45.977 0.035 . 1 . . . . . . . . 6400 1 618 . 1 1 60 60 GLY H H 1 7.414 0.007 . 1 . . . . . . . . 6400 1 619 . 1 1 60 60 GLY HA2 H 1 1.948 0.014 . 2 . . . . . . . . 6400 1 620 . 1 1 60 60 GLY HA3 H 1 2.469 0.026 . 2 . . . . . . . . 6400 1 621 . 1 1 60 60 GLY N N 15 105.817 0.035 . 1 . . . . . . . . 6400 1 622 . 1 1 61 61 ASP C C 13 178.691 0.000 . 1 . . . . . . . . 6400 1 623 . 1 1 61 61 ASP CA C 13 57.117 0.106 . 1 . . . . . . . . 6400 1 624 . 1 1 61 61 ASP CB C 13 39.719 0.092 . 1 . . . . . . . . 6400 1 625 . 1 1 61 61 ASP H H 1 7.825 0.005 . 1 . . . . . . . . 6400 1 626 . 1 1 61 61 ASP HA H 1 4.209 0.008 . 1 . . . . . . . . 6400 1 627 . 1 1 61 61 ASP HB2 H 1 2.570 0.028 . 2 . . . . . . . . 6400 1 628 . 1 1 61 61 ASP HB3 H 1 2.645 0.012 . 2 . . . . . . . . 6400 1 629 . 1 1 61 61 ASP N N 15 122.482 0.032 . 1 . . . . . . . . 6400 1 630 . 1 1 62 62 CYS C C 13 177.435 0.000 . 1 . . . . . . . . 6400 1 631 . 1 1 62 62 CYS CA C 13 62.940 0.050 . 1 . . . . . . . . 6400 1 632 . 1 1 62 62 CYS CB C 13 27.125 0.019 . 1 . . . . . . . . 6400 1 633 . 1 1 62 62 CYS H H 1 7.940 0.007 . 1 . . . . . . . . 6400 1 634 . 1 1 62 62 CYS HA H 1 4.005 0.004 . 1 . . . . . . . . 6400 1 635 . 1 1 62 62 CYS HB2 H 1 2.691 0.018 . 2 . . . . . . . . 6400 1 636 . 1 1 62 62 CYS HB3 H 1 3.191 0.010 . 2 . . . . . . . . 6400 1 637 . 1 1 62 62 CYS N N 15 120.147 0.039 . 1 . . . . . . . . 6400 1 638 . 1 1 63 63 PHE C C 13 178.114 0.000 . 1 . . . . . . . . 6400 1 639 . 1 1 63 63 PHE CA C 13 58.183 0.060 . 1 . . . . . . . . 6400 1 640 . 1 1 63 63 PHE CB C 13 37.001 0.069 . 1 . . . . . . . . 6400 1 641 . 1 1 63 63 PHE H H 1 8.642 0.006 . 1 . . . . . . . . 6400 1 642 . 1 1 63 63 PHE HA H 1 4.242 0.002 . 1 . . . . . . . . 6400 1 643 . 1 1 63 63 PHE HB2 H 1 2.699 0.016 . 2 . . . . . . . . 6400 1 644 . 1 1 63 63 PHE HB3 H 1 3.265 0.025 . 2 . . . . . . . . 6400 1 645 . 1 1 63 63 PHE HD1 H 1 6.595 0.000 . 3 . . . . . . . . 6400 1 646 . 1 1 63 63 PHE N N 15 120.115 0.050 . 1 . . . . . . . . 6400 1 647 . 1 1 64 64 GLN C C 13 177.876 0.000 . 1 . . . . . . . . 6400 1 648 . 1 1 64 64 GLN CA C 13 59.196 0.108 . 1 . . . . . . . . 6400 1 649 . 1 1 64 64 GLN CB C 13 28.481 0.162 . 1 . . . . . . . . 6400 1 650 . 1 1 64 64 GLN CG C 13 33.704 0.007 . 1 . . . . . . . . 6400 1 651 . 1 1 64 64 GLN H H 1 8.033 0.007 . 1 . . . . . . . . 6400 1 652 . 1 1 64 64 GLN HA H 1 4.127 0.025 . 1 . . . . . . . . 6400 1 653 . 1 1 64 64 GLN HB2 H 1 2.183 0.010 . 2 . . . . . . . . 6400 1 654 . 1 1 64 64 GLN HG2 H 1 2.332 0.004 . 2 . . . . . . . . 6400 1 655 . 1 1 64 64 GLN N N 15 118.466 0.052 . 1 . . . . . . . . 6400 1 656 . 1 1 65 65 ASP C C 13 178.905 0.000 . 1 . . . . . . . . 6400 1 657 . 1 1 65 65 ASP CA C 13 57.634 0.085 . 1 . . . . . . . . 6400 1 658 . 1 1 65 65 ASP CB C 13 41.165 0.134 . 1 . . . . . . . . 6400 1 659 . 1 1 65 65 ASP H H 1 8.122 0.005 . 1 . . . . . . . . 6400 1 660 . 1 1 65 65 ASP HA H 1 4.546 0.014 . 1 . . . . . . . . 6400 1 661 . 1 1 65 65 ASP HB2 H 1 2.824 0.007 . 2 . . . . . . . . 6400 1 662 . 1 1 65 65 ASP N N 15 119.610 0.047 . 1 . . . . . . . . 6400 1 663 . 1 1 66 66 TYR C C 13 178.095 0.000 . 1 . . . . . . . . 6400 1 664 . 1 1 66 66 TYR CA C 13 61.668 0.061 . 1 . . . . . . . . 6400 1 665 . 1 1 66 66 TYR CB C 13 38.543 0.105 . 1 . . . . . . . . 6400 1 666 . 1 1 66 66 TYR H H 1 8.829 0.010 . 1 . . . . . . . . 6400 1 667 . 1 1 66 66 TYR HA H 1 4.387 0.011 . 1 . . . . . . . . 6400 1 668 . 1 1 66 66 TYR HB2 H 1 3.220 0.029 . 2 . . . . . . . . 6400 1 669 . 1 1 66 66 TYR HD1 H 1 6.941 0.001 . 3 . . . . . . . . 6400 1 670 . 1 1 66 66 TYR N N 15 121.997 0.075 . 1 . . . . . . . . 6400 1 671 . 1 1 67 67 TYR C C 13 178.271 0.000 . 1 . . . . . . . . 6400 1 672 . 1 1 67 67 TYR CA C 13 61.583 0.041 . 1 . . . . . . . . 6400 1 673 . 1 1 67 67 TYR CB C 13 39.058 0.174 . 1 . . . . . . . . 6400 1 674 . 1 1 67 67 TYR H H 1 8.954 0.009 . 1 . . . . . . . . 6400 1 675 . 1 1 67 67 TYR HA H 1 3.964 0.016 . 1 . . . . . . . . 6400 1 676 . 1 1 67 67 TYR HB2 H 1 3.181 0.015 . 2 . . . . . . . . 6400 1 677 . 1 1 67 67 TYR HB3 H 1 3.442 0.011 . 2 . . . . . . . . 6400 1 678 . 1 1 67 67 TYR HD1 H 1 7.245 0.010 . 3 . . . . . . . . 6400 1 679 . 1 1 67 67 TYR HE1 H 1 6.617 0.000 . 3 . . . . . . . . 6400 1 680 . 1 1 67 67 TYR N N 15 121.251 0.055 . 1 . . . . . . . . 6400 1 681 . 1 1 68 68 ASN C C 13 176.638 0.000 . 1 . . . . . . . . 6400 1 682 . 1 1 68 68 ASN CA C 13 55.561 0.124 . 1 . . . . . . . . 6400 1 683 . 1 1 68 68 ASN CB C 13 38.036 0.033 . 1 . . . . . . . . 6400 1 684 . 1 1 68 68 ASN H H 1 8.724 0.008 . 1 . . . . . . . . 6400 1 685 . 1 1 68 68 ASN HA H 1 4.377 0.021 . 1 . . . . . . . . 6400 1 686 . 1 1 68 68 ASN HB2 H 1 2.873 0.024 . 2 . . . . . . . . 6400 1 687 . 1 1 68 68 ASN HB3 H 1 3.070 0.013 . 2 . . . . . . . . 6400 1 688 . 1 1 68 68 ASN HD21 H 1 7.774 0.004 . 1 . . . . . . . . 6400 1 689 . 1 1 68 68 ASN HD22 H 1 6.962 0.006 . 1 . . . . . . . . 6400 1 690 . 1 1 68 68 ASN N N 15 118.089 0.058 . 1 . . . . . . . . 6400 1 691 . 1 1 68 68 ASN ND2 N 15 111.485 0.055 . 1 . . . . . . . . 6400 1 692 . 1 1 69 69 THR C C 13 174.922 0.000 . 1 . . . . . . . . 6400 1 693 . 1 1 69 69 THR CA C 13 65.500 0.054 . 1 . . . . . . . . 6400 1 694 . 1 1 69 69 THR CB C 13 69.272 0.064 . 1 . . . . . . . . 6400 1 695 . 1 1 69 69 THR CG2 C 13 20.675 0.012 . 1 . . . . . . . . 6400 1 696 . 1 1 69 69 THR H H 1 7.985 0.012 . 1 . . . . . . . . 6400 1 697 . 1 1 69 69 THR HA H 1 3.799 0.010 . 1 . . . . . . . . 6400 1 698 . 1 1 69 69 THR HB H 1 3.571 0.008 . 1 . . . . . . . . 6400 1 699 . 1 1 69 69 THR HG21 H 1 0.221 0.006 . 1 . . . . . . . . 6400 1 700 . 1 1 69 69 THR HG22 H 1 0.221 0.006 . 1 . . . . . . . . 6400 1 701 . 1 1 69 69 THR HG23 H 1 0.221 0.006 . 1 . . . . . . . . 6400 1 702 . 1 1 69 69 THR N N 15 114.906 0.060 . 1 . . . . . . . . 6400 1 703 . 1 1 70 70 PHE C C 13 176.489 0.000 . 1 . . . . . . . . 6400 1 704 . 1 1 70 70 PHE CA C 13 59.030 0.057 . 1 . . . . . . . . 6400 1 705 . 1 1 70 70 PHE CB C 13 40.341 0.131 . 1 . . . . . . . . 6400 1 706 . 1 1 70 70 PHE H H 1 8.463 0.004 . 1 . . . . . . . . 6400 1 707 . 1 1 70 70 PHE HA H 1 4.466 0.009 . 1 . . . . . . . . 6400 1 708 . 1 1 70 70 PHE HB2 H 1 2.438 0.007 . 2 . . . . . . . . 6400 1 709 . 1 1 70 70 PHE HB3 H 1 2.995 0.010 . 2 . . . . . . . . 6400 1 710 . 1 1 70 70 PHE N N 15 117.749 0.048 . 1 . . . . . . . . 6400 1 711 . 1 1 71 71 GLY CA C 13 44.730 0.083 . 1 . . . . . . . . 6400 1 712 . 1 1 71 71 GLY H H 1 7.774 0.004 . 1 . . . . . . . . 6400 1 713 . 1 1 71 71 GLY HA2 H 1 3.508 0.001 . 2 . . . . . . . . 6400 1 714 . 1 1 71 71 GLY HA3 H 1 4.250 0.006 . 2 . . . . . . . . 6400 1 715 . 1 1 71 71 GLY N N 15 108.886 0.035 . 1 . . . . . . . . 6400 1 716 . 1 1 72 72 PRO C C 13 178.320 0.000 . 1 . . . . . . . . 6400 1 717 . 1 1 72 72 PRO CA C 13 63.833 0.125 . 1 . . . . . . . . 6400 1 718 . 1 1 72 72 PRO CB C 13 32.028 0.061 . 1 . . . . . . . . 6400 1 719 . 1 1 72 72 PRO CD C 13 49.884 0.001 . 1 . . . . . . . . 6400 1 720 . 1 1 72 72 PRO CG C 13 26.950 0.053 . 1 . . . . . . . . 6400 1 721 . 1 1 72 72 PRO HA H 1 4.292 0.003 . 1 . . . . . . . . 6400 1 722 . 1 1 72 72 PRO HB2 H 1 1.986 0.000 . 2 . . . . . . . . 6400 1 723 . 1 1 72 72 PRO HB3 H 1 2.362 0.009 . 2 . . . . . . . . 6400 1 724 . 1 1 72 72 PRO HD2 H 1 3.212 0.005 . 2 . . . . . . . . 6400 1 725 . 1 1 72 72 PRO HG2 H 1 1.631 0.002 . 2 . . . . . . . . 6400 1 726 . 1 1 72 72 PRO HG3 H 1 1.999 0.001 . 2 . . . . . . . . 6400 1 727 . 1 1 73 73 GLU C C 13 177.497 0.000 . 1 . . . . . . . . 6400 1 728 . 1 1 73 73 GLU CA C 13 58.532 0.058 . 1 . . . . . . . . 6400 1 729 . 1 1 73 73 GLU CB C 13 28.884 0.135 . 1 . . . . . . . . 6400 1 730 . 1 1 73 73 GLU CG C 13 36.485 0.096 . 1 . . . . . . . . 6400 1 731 . 1 1 73 73 GLU H H 1 8.667 0.007 . 1 . . . . . . . . 6400 1 732 . 1 1 73 73 GLU HA H 1 4.033 0.013 . 1 . . . . . . . . 6400 1 733 . 1 1 73 73 GLU HB2 H 1 1.965 0.006 . 2 . . . . . . . . 6400 1 734 . 1 1 73 73 GLU HG2 H 1 2.239 0.010 . 2 . . . . . . . . 6400 1 735 . 1 1 73 73 GLU N N 15 116.710 0.047 . 1 . . . . . . . . 6400 1 736 . 1 1 74 74 LYS C C 13 175.375 0.000 . 1 . . . . . . . . 6400 1 737 . 1 1 74 74 LYS CA C 13 55.005 0.087 . 1 . . . . . . . . 6400 1 738 . 1 1 74 74 LYS CB C 13 33.445 0.099 . 1 . . . . . . . . 6400 1 739 . 1 1 74 74 LYS CD C 13 28.075 0.027 . 1 . . . . . . . . 6400 1 740 . 1 1 74 74 LYS CE C 13 41.992 0.018 . 1 . . . . . . . . 6400 1 741 . 1 1 74 74 LYS CG C 13 25.141 0.063 . 1 . . . . . . . . 6400 1 742 . 1 1 74 74 LYS H H 1 7.449 0.008 . 1 . . . . . . . . 6400 1 743 . 1 1 74 74 LYS HA H 1 4.330 0.003 . 1 . . . . . . . . 6400 1 744 . 1 1 74 74 LYS HB2 H 1 1.567 0.005 . 2 . . . . . . . . 6400 1 745 . 1 1 74 74 LYS HB3 H 1 2.003 0.001 . 2 . . . . . . . . 6400 1 746 . 1 1 74 74 LYS HD2 H 1 1.436 0.000 . 2 . . . . . . . . 6400 1 747 . 1 1 74 74 LYS HE2 H 1 2.549 0.000 . 2 . . . . . . . . 6400 1 748 . 1 1 74 74 LYS HE3 H 1 2.605 0.000 . 2 . . . . . . . . 6400 1 749 . 1 1 74 74 LYS HG2 H 1 1.205 0.008 . 2 . . . . . . . . 6400 1 750 . 1 1 74 74 LYS N N 15 115.969 0.042 . 1 . . . . . . . . 6400 1 751 . 1 1 75 75 VAL CA C 13 58.627 0.069 . 1 . . . . . . . . 6400 1 752 . 1 1 75 75 VAL CB C 13 33.596 0.104 . 1 . . . . . . . . 6400 1 753 . 1 1 75 75 VAL CG1 C 13 20.863 0.059 . 2 . . . . . . . . 6400 1 754 . 1 1 75 75 VAL CG2 C 13 21.629 0.029 . 2 . . . . . . . . 6400 1 755 . 1 1 75 75 VAL H H 1 7.209 0.007 . 1 . . . . . . . . 6400 1 756 . 1 1 75 75 VAL HA H 1 4.226 0.005 . 1 . . . . . . . . 6400 1 757 . 1 1 75 75 VAL HB H 1 2.074 0.016 . 1 . . . . . . . . 6400 1 758 . 1 1 75 75 VAL HG11 H 1 0.462 0.012 . 2 . . . . . . . . 6400 1 759 . 1 1 75 75 VAL HG12 H 1 0.462 0.012 . 2 . . . . . . . . 6400 1 760 . 1 1 75 75 VAL HG13 H 1 0.462 0.012 . 2 . . . . . . . . 6400 1 761 . 1 1 75 75 VAL HG21 H 1 1.086 0.018 . 2 . . . . . . . . 6400 1 762 . 1 1 75 75 VAL HG22 H 1 1.086 0.018 . 2 . . . . . . . . 6400 1 763 . 1 1 75 75 VAL HG23 H 1 1.086 0.018 . 2 . . . . . . . . 6400 1 764 . 1 1 75 75 VAL N N 15 118.688 0.076 . 1 . . . . . . . . 6400 1 765 . 1 1 76 76 PRO C C 13 178.612 0.000 . 1 . . . . . . . . 6400 1 766 . 1 1 76 76 PRO CA C 13 62.379 0.077 . 1 . . . . . . . . 6400 1 767 . 1 1 76 76 PRO CB C 13 31.938 0.128 . 1 . . . . . . . . 6400 1 768 . 1 1 76 76 PRO CD C 13 50.094 0.171 . 1 . . . . . . . . 6400 1 769 . 1 1 76 76 PRO CG C 13 27.105 0.088 . 1 . . . . . . . . 6400 1 770 . 1 1 76 76 PRO HA H 1 4.388 0.008 . 1 . . . . . . . . 6400 1 771 . 1 1 76 76 PRO HB2 H 1 1.595 0.014 . 2 . . . . . . . . 6400 1 772 . 1 1 76 76 PRO HB3 H 1 2.175 0.000 . 2 . . . . . . . . 6400 1 773 . 1 1 76 76 PRO HD2 H 1 2.868 0.008 . 2 . . . . . . . . 6400 1 774 . 1 1 76 76 PRO HD3 H 1 3.109 0.005 . 2 . . . . . . . . 6400 1 775 . 1 1 76 76 PRO HG2 H 1 1.338 0.013 . 2 . . . . . . . . 6400 1 776 . 1 1 77 77 VAL C C 13 177.531 0.000 . 1 . . . . . . . . 6400 1 777 . 1 1 77 77 VAL CA C 13 65.214 0.114 . 1 . . . . . . . . 6400 1 778 . 1 1 77 77 VAL CB C 13 31.572 0.080 . 1 . . . . . . . . 6400 1 779 . 1 1 77 77 VAL CG1 C 13 20.895 0.040 . 2 . . . . . . . . 6400 1 780 . 1 1 77 77 VAL H H 1 8.558 0.005 . 1 . . . . . . . . 6400 1 781 . 1 1 77 77 VAL HA H 1 3.903 0.012 . 1 . . . . . . . . 6400 1 782 . 1 1 77 77 VAL HB H 1 2.168 0.008 . 1 . . . . . . . . 6400 1 783 . 1 1 77 77 VAL HG11 H 1 1.008 0.008 . 2 . . . . . . . . 6400 1 784 . 1 1 77 77 VAL HG12 H 1 1.008 0.008 . 2 . . . . . . . . 6400 1 785 . 1 1 77 77 VAL HG13 H 1 1.008 0.008 . 2 . . . . . . . . 6400 1 786 . 1 1 77 77 VAL N N 15 120.634 0.045 . 1 . . . . . . . . 6400 1 787 . 1 1 78 78 THR C C 13 175.662 0.000 . 1 . . . . . . . . 6400 1 788 . 1 1 78 78 THR CA C 13 62.199 0.111 . 1 . . . . . . . . 6400 1 789 . 1 1 78 78 THR CB C 13 68.636 0.059 . 1 . . . . . . . . 6400 1 790 . 1 1 78 78 THR CG2 C 13 22.365 0.020 . 1 . . . . . . . . 6400 1 791 . 1 1 78 78 THR H H 1 7.273 0.007 . 1 . . . . . . . . 6400 1 792 . 1 1 78 78 THR HA H 1 3.960 0.007 . 1 . . . . . . . . 6400 1 793 . 1 1 78 78 THR HB H 1 3.733 0.004 . 1 . . . . . . . . 6400 1 794 . 1 1 78 78 THR HG21 H 1 1.050 0.009 . 1 . . . . . . . . 6400 1 795 . 1 1 78 78 THR HG22 H 1 1.050 0.009 . 1 . . . . . . . . 6400 1 796 . 1 1 78 78 THR HG23 H 1 1.050 0.009 . 1 . . . . . . . . 6400 1 797 . 1 1 78 78 THR N N 15 108.025 0.078 . 1 . . . . . . . . 6400 1 798 . 1 1 79 79 ALA C C 13 179.328 0.000 . 1 . . . . . . . . 6400 1 799 . 1 1 79 79 ALA CA C 13 55.734 0.067 . 1 . . . . . . . . 6400 1 800 . 1 1 79 79 ALA CB C 13 17.887 0.118 . 1 . . . . . . . . 6400 1 801 . 1 1 79 79 ALA H H 1 7.542 0.008 . 1 . . . . . . . . 6400 1 802 . 1 1 79 79 ALA HA H 1 4.032 0.007 . 1 . . . . . . . . 6400 1 803 . 1 1 79 79 ALA HB1 H 1 0.722 0.005 . 1 . . . . . . . . 6400 1 804 . 1 1 79 79 ALA HB2 H 1 0.722 0.005 . 1 . . . . . . . . 6400 1 805 . 1 1 79 79 ALA HB3 H 1 0.722 0.005 . 1 . . . . . . . . 6400 1 806 . 1 1 79 79 ALA N N 15 123.236 0.046 . 1 . . . . . . . . 6400 1 807 . 1 1 80 80 PHE C C 13 178.828 0.000 . 1 . . . . . . . . 6400 1 808 . 1 1 80 80 PHE CA C 13 61.835 0.125 . 1 . . . . . . . . 6400 1 809 . 1 1 80 80 PHE CB C 13 37.917 0.092 . 1 . . . . . . . . 6400 1 810 . 1 1 80 80 PHE H H 1 7.648 0.013 . 1 . . . . . . . . 6400 1 811 . 1 1 80 80 PHE HA H 1 4.430 0.011 . 1 . . . . . . . . 6400 1 812 . 1 1 80 80 PHE HB2 H 1 2.935 0.013 . 2 . . . . . . . . 6400 1 813 . 1 1 80 80 PHE HB3 H 1 3.209 0.010 . 2 . . . . . . . . 6400 1 814 . 1 1 80 80 PHE N N 15 114.350 0.051 . 1 . . . . . . . . 6400 1 815 . 1 1 81 81 SER C C 13 176.523 0.000 . 1 . . . . . . . . 6400 1 816 . 1 1 81 81 SER CA C 13 61.660 0.142 . 1 . . . . . . . . 6400 1 817 . 1 1 81 81 SER CB C 13 63.359 0.080 . 1 . . . . . . . . 6400 1 818 . 1 1 81 81 SER H H 1 8.096 0.009 . 1 . . . . . . . . 6400 1 819 . 1 1 81 81 SER HA H 1 4.359 0.014 . 1 . . . . . . . . 6400 1 820 . 1 1 81 81 SER HB2 H 1 3.955 0.008 . 2 . . . . . . . . 6400 1 821 . 1 1 81 81 SER N N 15 116.610 0.061 . 1 . . . . . . . . 6400 1 822 . 1 1 82 82 TYR C C 13 177.747 0.000 . 1 . . . . . . . . 6400 1 823 . 1 1 82 82 TYR CA C 13 60.683 0.058 . 1 . . . . . . . . 6400 1 824 . 1 1 82 82 TYR CB C 13 34.370 0.039 . 1 . . . . . . . . 6400 1 825 . 1 1 82 82 TYR H H 1 8.363 0.008 . 1 . . . . . . . . 6400 1 826 . 1 1 82 82 TYR HA H 1 3.985 0.009 . 1 . . . . . . . . 6400 1 827 . 1 1 82 82 TYR HB2 H 1 1.417 0.014 . 2 . . . . . . . . 6400 1 828 . 1 1 82 82 TYR HB3 H 1 1.902 0.000 . 2 . . . . . . . . 6400 1 829 . 1 1 82 82 TYR HD1 H 1 6.681 0.000 . 3 . . . . . . . . 6400 1 830 . 1 1 82 82 TYR N N 15 120.783 0.073 . 1 . . . . . . . . 6400 1 831 . 1 1 83 83 TRP C C 13 179.349 0.000 . 1 . . . . . . . . 6400 1 832 . 1 1 83 83 TRP CA C 13 63.944 0.136 . 1 . . . . . . . . 6400 1 833 . 1 1 83 83 TRP CB C 13 28.575 0.107 . 1 . . . . . . . . 6400 1 834 . 1 1 83 83 TRP H H 1 8.415 0.006 . 1 . . . . . . . . 6400 1 835 . 1 1 83 83 TRP HA H 1 4.287 0.005 . 1 . . . . . . . . 6400 1 836 . 1 1 83 83 TRP HB2 H 1 3.505 0.000 . 2 . . . . . . . . 6400 1 837 . 1 1 83 83 TRP HB3 H 1 3.796 0.014 . 2 . . . . . . . . 6400 1 838 . 1 1 83 83 TRP HD1 H 1 7.111 0.017 . 1 . . . . . . . . 6400 1 839 . 1 1 83 83 TRP HE1 H 1 9.408 0.000 . 1 . . . . . . . . 6400 1 840 . 1 1 83 83 TRP N N 15 119.492 0.060 . 1 . . . . . . . . 6400 1 841 . 1 1 84 84 ASN C C 13 176.674 0.000 . 1 . . . . . . . . 6400 1 842 . 1 1 84 84 ASN CA C 13 57.031 0.080 . 1 . . . . . . . . 6400 1 843 . 1 1 84 84 ASN CB C 13 39.484 0.129 . 1 . . . . . . . . 6400 1 844 . 1 1 84 84 ASN H H 1 8.418 0.005 . 1 . . . . . . . . 6400 1 845 . 1 1 84 84 ASN HA H 1 4.141 0.004 . 1 . . . . . . . . 6400 1 846 . 1 1 84 84 ASN HB2 H 1 2.820 0.005 . 2 . . . . . . . . 6400 1 847 . 1 1 84 84 ASN HB3 H 1 3.054 0.004 . 2 . . . . . . . . 6400 1 848 . 1 1 84 84 ASN N N 15 118.391 0.054 . 1 . . . . . . . . 6400 1 849 . 1 1 85 85 LEU C C 13 179.295 0.000 . 1 . . . . . . . . 6400 1 850 . 1 1 85 85 LEU CA C 13 57.894 0.044 . 1 . . . . . . . . 6400 1 851 . 1 1 85 85 LEU CB C 13 42.278 0.125 . 1 . . . . . . . . 6400 1 852 . 1 1 85 85 LEU CD1 C 13 23.061 0.097 . 2 . . . . . . . . 6400 1 853 . 1 1 85 85 LEU CD2 C 13 23.376 0.004 . 2 . . . . . . . . 6400 1 854 . 1 1 85 85 LEU CG C 13 26.892 0.037 . 1 . . . . . . . . 6400 1 855 . 1 1 85 85 LEU H H 1 8.055 0.011 . 1 . . . . . . . . 6400 1 856 . 1 1 85 85 LEU HA H 1 3.941 0.022 . 1 . . . . . . . . 6400 1 857 . 1 1 85 85 LEU HB2 H 1 1.330 0.005 . 2 . . . . . . . . 6400 1 858 . 1 1 85 85 LEU HB3 H 1 1.779 0.009 . 2 . . . . . . . . 6400 1 859 . 1 1 85 85 LEU HD11 H 1 0.721 0.005 . 2 . . . . . . . . 6400 1 860 . 1 1 85 85 LEU HD12 H 1 0.721 0.005 . 2 . . . . . . . . 6400 1 861 . 1 1 85 85 LEU HD13 H 1 0.721 0.005 . 2 . . . . . . . . 6400 1 862 . 1 1 85 85 LEU HD21 H 1 0.788 0.000 . 2 . . . . . . . . 6400 1 863 . 1 1 85 85 LEU HD22 H 1 0.788 0.000 . 2 . . . . . . . . 6400 1 864 . 1 1 85 85 LEU HD23 H 1 0.788 0.000 . 2 . . . . . . . . 6400 1 865 . 1 1 85 85 LEU HG H 1 1.539 0.018 . 1 . . . . . . . . 6400 1 866 . 1 1 85 85 LEU N N 15 120.373 0.052 . 1 . . . . . . . . 6400 1 867 . 1 1 86 86 ILE C C 13 176.523 0.000 . 1 . . . . . . . . 6400 1 868 . 1 1 86 86 ILE CA C 13 63.250 0.069 . 1 . . . . . . . . 6400 1 869 . 1 1 86 86 ILE CB C 13 36.282 0.110 . 1 . . . . . . . . 6400 1 870 . 1 1 86 86 ILE CD1 C 13 12.352 0.054 . 1 . . . . . . . . 6400 1 871 . 1 1 86 86 ILE CG1 C 13 29.391 0.023 . 1 . . . . . . . . 6400 1 872 . 1 1 86 86 ILE CG2 C 13 16.216 0.058 . 1 . . . . . . . . 6400 1 873 . 1 1 86 86 ILE H H 1 7.816 0.010 . 1 . . . . . . . . 6400 1 874 . 1 1 86 86 ILE HA H 1 3.383 0.009 . 1 . . . . . . . . 6400 1 875 . 1 1 86 86 ILE HB H 1 1.701 0.017 . 1 . . . . . . . . 6400 1 876 . 1 1 86 86 ILE HD11 H 1 0.714 0.011 . 1 . . . . . . . . 6400 1 877 . 1 1 86 86 ILE HD12 H 1 0.714 0.011 . 1 . . . . . . . . 6400 1 878 . 1 1 86 86 ILE HD13 H 1 0.714 0.011 . 1 . . . . . . . . 6400 1 879 . 1 1 86 86 ILE HG12 H 1 1.131 0.004 . 2 . . . . . . . . 6400 1 880 . 1 1 86 86 ILE HG13 H 1 1.473 0.008 . 2 . . . . . . . . 6400 1 881 . 1 1 86 86 ILE HG21 H 1 -0.320 0.006 . 1 . . . . . . . . 6400 1 882 . 1 1 86 86 ILE HG22 H 1 -0.320 0.006 . 1 . . . . . . . . 6400 1 883 . 1 1 86 86 ILE HG23 H 1 -0.320 0.006 . 1 . . . . . . . . 6400 1 884 . 1 1 86 86 ILE N N 15 117.818 0.062 . 1 . . . . . . . . 6400 1 885 . 1 1 87 87 LYS C C 13 177.423 0.000 . 1 . . . . . . . . 6400 1 886 . 1 1 87 87 LYS CA C 13 59.899 0.091 . 1 . . . . . . . . 6400 1 887 . 1 1 87 87 LYS CB C 13 31.148 0.039 . 1 . . . . . . . . 6400 1 888 . 1 1 87 87 LYS CG C 13 23.508 0.002 . 1 . . . . . . . . 6400 1 889 . 1 1 87 87 LYS H H 1 7.783 0.005 . 1 . . . . . . . . 6400 1 890 . 1 1 87 87 LYS HA H 1 3.326 0.005 . 1 . . . . . . . . 6400 1 891 . 1 1 87 87 LYS HB2 H 1 0.705 0.009 . 2 . . . . . . . . 6400 1 892 . 1 1 87 87 LYS HB3 H 1 1.678 0.022 . 2 . . . . . . . . 6400 1 893 . 1 1 87 87 LYS HG2 H 1 1.215 0.000 . 2 . . . . . . . . 6400 1 894 . 1 1 87 87 LYS N N 15 120.798 0.031 . 1 . . . . . . . . 6400 1 895 . 1 1 88 88 GLU C C 13 178.227 0.000 . 1 . . . . . . . . 6400 1 896 . 1 1 88 88 GLU CA C 13 58.740 0.054 . 1 . . . . . . . . 6400 1 897 . 1 1 88 88 GLU CB C 13 29.109 0.042 . 1 . . . . . . . . 6400 1 898 . 1 1 88 88 GLU CG C 13 36.519 0.133 . 1 . . . . . . . . 6400 1 899 . 1 1 88 88 GLU H H 1 7.769 0.004 . 1 . . . . . . . . 6400 1 900 . 1 1 88 88 GLU HA H 1 3.885 0.015 . 1 . . . . . . . . 6400 1 901 . 1 1 88 88 GLU HB2 H 1 1.952 0.006 . 2 . . . . . . . . 6400 1 902 . 1 1 88 88 GLU HG2 H 1 2.426 0.012 . 2 . . . . . . . . 6400 1 903 . 1 1 88 88 GLU N N 15 115.502 0.037 . 1 . . . . . . . . 6400 1 904 . 1 1 89 89 LEU C C 13 178.585 0.000 . 1 . . . . . . . . 6400 1 905 . 1 1 89 89 LEU CA C 13 57.481 0.128 . 1 . . . . . . . . 6400 1 906 . 1 1 89 89 LEU CB C 13 42.054 0.084 . 1 . . . . . . . . 6400 1 907 . 1 1 89 89 LEU CD1 C 13 24.164 0.063 . 2 . . . . . . . . 6400 1 908 . 1 1 89 89 LEU CD2 C 13 24.949 0.043 . 2 . . . . . . . . 6400 1 909 . 1 1 89 89 LEU CG C 13 26.403 0.082 . 1 . . . . . . . . 6400 1 910 . 1 1 89 89 LEU H H 1 7.287 0.011 . 1 . . . . . . . . 6400 1 911 . 1 1 89 89 LEU HA H 1 3.898 0.005 . 1 . . . . . . . . 6400 1 912 . 1 1 89 89 LEU HB2 H 1 1.498 0.013 . 2 . . . . . . . . 6400 1 913 . 1 1 89 89 LEU HB3 H 1 1.878 0.006 . 2 . . . . . . . . 6400 1 914 . 1 1 89 89 LEU HD11 H 1 0.660 0.011 . 2 . . . . . . . . 6400 1 915 . 1 1 89 89 LEU HD12 H 1 0.660 0.011 . 2 . . . . . . . . 6400 1 916 . 1 1 89 89 LEU HD13 H 1 0.660 0.011 . 2 . . . . . . . . 6400 1 917 . 1 1 89 89 LEU HD21 H 1 0.689 0.010 . 2 . . . . . . . . 6400 1 918 . 1 1 89 89 LEU HD22 H 1 0.689 0.010 . 2 . . . . . . . . 6400 1 919 . 1 1 89 89 LEU HD23 H 1 0.689 0.010 . 2 . . . . . . . . 6400 1 920 . 1 1 89 89 LEU HG H 1 1.401 0.000 . 1 . . . . . . . . 6400 1 921 . 1 1 89 89 LEU N N 15 118.316 0.053 . 1 . . . . . . . . 6400 1 922 . 1 1 90 90 ILE C C 13 177.002 0.000 . 1 . . . . . . . . 6400 1 923 . 1 1 90 90 ILE CA C 13 62.454 0.077 . 1 . . . . . . . . 6400 1 924 . 1 1 90 90 ILE CB C 13 38.013 0.062 . 1 . . . . . . . . 6400 1 925 . 1 1 90 90 ILE CD1 C 13 13.985 0.045 . 1 . . . . . . . . 6400 1 926 . 1 1 90 90 ILE CG1 C 13 25.657 0.107 . 1 . . . . . . . . 6400 1 927 . 1 1 90 90 ILE CG2 C 13 17.650 0.138 . 1 . . . . . . . . 6400 1 928 . 1 1 90 90 ILE H H 1 7.530 0.009 . 1 . . . . . . . . 6400 1 929 . 1 1 90 90 ILE HA H 1 3.992 0.007 . 1 . . . . . . . . 6400 1 930 . 1 1 90 90 ILE HB H 1 1.882 0.005 . 1 . . . . . . . . 6400 1 931 . 1 1 90 90 ILE HD11 H 1 0.348 0.017 . 1 . . . . . . . . 6400 1 932 . 1 1 90 90 ILE HD12 H 1 0.348 0.017 . 1 . . . . . . . . 6400 1 933 . 1 1 90 90 ILE HD13 H 1 0.348 0.017 . 1 . . . . . . . . 6400 1 934 . 1 1 90 90 ILE HG12 H 1 1.181 0.024 . 2 . . . . . . . . 6400 1 935 . 1 1 90 90 ILE HG21 H 1 0.701 0.004 . 1 . . . . . . . . 6400 1 936 . 1 1 90 90 ILE HG22 H 1 0.701 0.004 . 1 . . . . . . . . 6400 1 937 . 1 1 90 90 ILE HG23 H 1 0.701 0.004 . 1 . . . . . . . . 6400 1 938 . 1 1 90 90 ILE N N 15 112.574 0.053 . 1 . . . . . . . . 6400 1 939 . 1 1 91 91 ASP C C 13 176.137 0.000 . 1 . . . . . . . . 6400 1 940 . 1 1 91 91 ASP CA C 13 54.723 0.196 . 1 . . . . . . . . 6400 1 941 . 1 1 91 91 ASP CB C 13 41.104 0.048 . 1 . . . . . . . . 6400 1 942 . 1 1 91 91 ASP H H 1 8.026 0.009 . 1 . . . . . . . . 6400 1 943 . 1 1 91 91 ASP HA H 1 4.500 0.008 . 1 . . . . . . . . 6400 1 944 . 1 1 91 91 ASP HB2 H 1 2.621 0.014 . 2 . . . . . . . . 6400 1 945 . 1 1 91 91 ASP N N 15 122.185 0.053 . 1 . . . . . . . . 6400 1 946 . 1 1 92 92 LYS C C 13 176.246 0.000 . 1 . . . . . . . . 6400 1 947 . 1 1 92 92 LYS CA C 13 55.999 0.090 . 1 . . . . . . . . 6400 1 948 . 1 1 92 92 LYS CB C 13 32.534 0.083 . 1 . . . . . . . . 6400 1 949 . 1 1 92 92 LYS CD C 13 29.004 0.005 . 1 . . . . . . . . 6400 1 950 . 1 1 92 92 LYS CE C 13 42.055 0.054 . 1 . . . . . . . . 6400 1 951 . 1 1 92 92 LYS CG C 13 24.605 0.012 . 1 . . . . . . . . 6400 1 952 . 1 1 92 92 LYS H H 1 7.819 0.006 . 1 . . . . . . . . 6400 1 953 . 1 1 92 92 LYS HA H 1 4.229 0.006 . 1 . . . . . . . . 6400 1 954 . 1 1 92 92 LYS HB2 H 1 1.770 0.007 . 2 . . . . . . . . 6400 1 955 . 1 1 92 92 LYS HD2 H 1 1.603 0.002 . 2 . . . . . . . . 6400 1 956 . 1 1 92 92 LYS HE2 H 1 2.932 0.000 . 2 . . . . . . . . 6400 1 957 . 1 1 92 92 LYS HG2 H 1 1.360 0.015 . 2 . . . . . . . . 6400 1 958 . 1 1 92 92 LYS N N 15 120.212 0.039 . 1 . . . . . . . . 6400 1 959 . 1 1 93 93 LYS C C 13 176.450 0.000 . 1 . . . . . . . . 6400 1 960 . 1 1 93 93 LYS CA C 13 56.357 0.059 . 1 . . . . . . . . 6400 1 961 . 1 1 93 93 LYS CB C 13 32.555 0.063 . 1 . . . . . . . . 6400 1 962 . 1 1 93 93 LYS CG C 13 24.592 0.000 . 1 . . . . . . . . 6400 1 963 . 1 1 93 93 LYS H H 1 8.182 0.013 . 1 . . . . . . . . 6400 1 964 . 1 1 93 93 LYS HA H 1 4.198 0.020 . 1 . . . . . . . . 6400 1 965 . 1 1 93 93 LYS HB2 H 1 1.743 0.007 . 2 . . . . . . . . 6400 1 966 . 1 1 93 93 LYS N N 15 121.783 0.031 . 1 . . . . . . . . 6400 1 967 . 1 1 94 94 GLU C C 13 176.081 0.000 . 1 . . . . . . . . 6400 1 968 . 1 1 94 94 GLU CA C 13 56.334 0.058 . 1 . . . . . . . . 6400 1 969 . 1 1 94 94 GLU CB C 13 30.114 0.080 . 1 . . . . . . . . 6400 1 970 . 1 1 94 94 GLU CG C 13 35.976 0.008 . 1 . . . . . . . . 6400 1 971 . 1 1 94 94 GLU H H 1 8.392 0.004 . 1 . . . . . . . . 6400 1 972 . 1 1 94 94 GLU HA H 1 4.236 0.005 . 1 . . . . . . . . 6400 1 973 . 1 1 94 94 GLU HB2 H 1 1.856 0.011 . 2 . . . . . . . . 6400 1 974 . 1 1 94 94 GLU HB3 H 1 1.952 0.003 . 2 . . . . . . . . 6400 1 975 . 1 1 94 94 GLU HG2 H 1 2.191 0.007 . 2 . . . . . . . . 6400 1 976 . 1 1 94 94 GLU N N 15 121.830 0.023 . 1 . . . . . . . . 6400 1 977 . 1 1 95 95 VAL C C 13 175.330 0.000 . 1 . . . . . . . . 6400 1 978 . 1 1 95 95 VAL CA C 13 62.060 0.064 . 1 . . . . . . . . 6400 1 979 . 1 1 95 95 VAL CB C 13 32.650 0.044 . 1 . . . . . . . . 6400 1 980 . 1 1 95 95 VAL CG1 C 13 20.535 0.035 . 2 . . . . . . . . 6400 1 981 . 1 1 95 95 VAL CG2 C 13 21.109 0.029 . 2 . . . . . . . . 6400 1 982 . 1 1 95 95 VAL H H 1 8.099 0.007 . 1 . . . . . . . . 6400 1 983 . 1 1 95 95 VAL HA H 1 4.018 0.006 . 1 . . . . . . . . 6400 1 984 . 1 1 95 95 VAL HB H 1 1.973 0.008 . 1 . . . . . . . . 6400 1 985 . 1 1 95 95 VAL HG11 H 1 0.858 0.011 . 2 . . . . . . . . 6400 1 986 . 1 1 95 95 VAL HG12 H 1 0.858 0.011 . 2 . . . . . . . . 6400 1 987 . 1 1 95 95 VAL HG13 H 1 0.858 0.011 . 2 . . . . . . . . 6400 1 988 . 1 1 95 95 VAL HG21 H 1 0.793 0.019 . 2 . . . . . . . . 6400 1 989 . 1 1 95 95 VAL HG22 H 1 0.793 0.019 . 2 . . . . . . . . 6400 1 990 . 1 1 95 95 VAL HG23 H 1 0.793 0.019 . 2 . . . . . . . . 6400 1 991 . 1 1 95 95 VAL N N 15 120.886 0.050 . 1 . . . . . . . . 6400 1 992 . 1 1 96 96 ASN CA C 13 51.069 0.031 . 1 . . . . . . . . 6400 1 993 . 1 1 96 96 ASN CB C 13 38.841 0.020 . 1 . . . . . . . . 6400 1 994 . 1 1 96 96 ASN H H 1 8.498 0.003 . 1 . . . . . . . . 6400 1 995 . 1 1 96 96 ASN HA H 1 4.959 0.028 . 1 . . . . . . . . 6400 1 996 . 1 1 96 96 ASN HB2 H 1 2.600 0.000 . 2 . . . . . . . . 6400 1 997 . 1 1 96 96 ASN HB3 H 1 2.766 0.000 . 2 . . . . . . . . 6400 1 998 . 1 1 96 96 ASN N N 15 123.004 0.028 . 1 . . . . . . . . 6400 1 999 . 1 1 97 97 PRO C C 13 176.624 0.000 . 1 . . . . . . . . 6400 1 1000 . 1 1 97 97 PRO CA C 13 63.228 0.031 . 1 . . . . . . . . 6400 1 1001 . 1 1 97 97 PRO CB C 13 31.981 0.037 . 1 . . . . . . . . 6400 1 1002 . 1 1 97 97 PRO CD C 13 50.601 0.014 . 1 . . . . . . . . 6400 1 1003 . 1 1 97 97 PRO CG C 13 27.128 0.024 . 1 . . . . . . . . 6400 1 1004 . 1 1 97 97 PRO HA H 1 4.335 0.005 . 1 . . . . . . . . 6400 1 1005 . 1 1 97 97 PRO HB2 H 1 1.872 0.005 . 2 . . . . . . . . 6400 1 1006 . 1 1 97 97 PRO HB3 H 1 2.189 0.000 . 2 . . . . . . . . 6400 1 1007 . 1 1 97 97 PRO HD2 H 1 3.689 0.000 . 2 . . . . . . . . 6400 1 1008 . 1 1 97 97 PRO HG2 H 1 1.933 0.001 . 2 . . . . . . . . 6400 1 1009 . 1 1 98 98 GLN C C 13 175.715 0.000 . 1 . . . . . . . . 6400 1 1010 . 1 1 98 98 GLN CA C 13 55.821 0.014 . 1 . . . . . . . . 6400 1 1011 . 1 1 98 98 GLN CB C 13 29.379 0.046 . 1 . . . . . . . . 6400 1 1012 . 1 1 98 98 GLN CG C 13 33.733 0.000 . 1 . . . . . . . . 6400 1 1013 . 1 1 98 98 GLN H H 1 8.307 0.002 . 1 . . . . . . . . 6400 1 1014 . 1 1 98 98 GLN HA H 1 4.235 0.002 . 1 . . . . . . . . 6400 1 1015 . 1 1 98 98 GLN HB2 H 1 1.903 0.006 . 2 . . . . . . . . 6400 1 1016 . 1 1 98 98 GLN HB3 H 1 2.013 0.000 . 2 . . . . . . . . 6400 1 1017 . 1 1 98 98 GLN N N 15 119.667 0.037 . 1 . . . . . . . . 6400 1 1018 . 1 1 99 99 VAL C C 13 175.009 0.000 . 1 . . . . . . . . 6400 1 1019 . 1 1 99 99 VAL CA C 13 62.248 0.059 . 1 . . . . . . . . 6400 1 1020 . 1 1 99 99 VAL CB C 13 32.548 0.061 . 1 . . . . . . . . 6400 1 1021 . 1 1 99 99 VAL CG1 C 13 20.614 0.000 . 2 . . . . . . . . 6400 1 1022 . 1 1 99 99 VAL H H 1 8.011 0.002 . 1 . . . . . . . . 6400 1 1023 . 1 1 99 99 VAL HA H 1 4.043 0.006 . 1 . . . . . . . . 6400 1 1024 . 1 1 99 99 VAL HB H 1 2.016 0.000 . 1 . . . . . . . . 6400 1 1025 . 1 1 99 99 VAL HG11 H 1 0.874 0.000 . 2 . . . . . . . . 6400 1 1026 . 1 1 99 99 VAL HG12 H 1 0.874 0.000 . 2 . . . . . . . . 6400 1 1027 . 1 1 99 99 VAL HG13 H 1 0.874 0.000 . 2 . . . . . . . . 6400 1 1028 . 1 1 99 99 VAL N N 15 121.244 0.016 . 1 . . . . . . . . 6400 1 1029 . 1 1 100 100 MET CA C 13 56.930 0.079 . 1 . . . . . . . . 6400 1 1030 . 1 1 100 100 MET CB C 13 33.644 0.063 . 1 . . . . . . . . 6400 1 1031 . 1 1 100 100 MET H H 1 7.898 0.002 . 1 . . . . . . . . 6400 1 1032 . 1 1 100 100 MET HA H 1 4.209 0.000 . 1 . . . . . . . . 6400 1 1033 . 1 1 100 100 MET HB2 H 1 1.876 0.000 . 2 . . . . . . . . 6400 1 1034 . 1 1 100 100 MET HB3 H 1 2.016 0.000 . 2 . . . . . . . . 6400 1 1035 . 1 1 100 100 MET N N 15 129.024 0.034 . 1 . . . . . . . . 6400 1 stop_ save_