data_4796 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4796 _Entry.Title ; Solution structure of hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-26 _Entry.Accession_date 2000-07-26 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _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 J. Cort . R. . 4796 2 A. Yee . . . 4796 3 A. Edwards . M. . 4796 4 C. Arrowsmith . H. . 4796 5 M. Kennedy . A. . 4796 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4796 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 634 4796 '13C chemical shifts' 435 4796 '15N chemical shifts' 122 4796 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 . . 2002-01-23 2000-07-26 original author . 4796 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4796 _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 ; NMR Structure Determination and Structure-Based Functional Classification of Conserved Hypothetical Protein MTH1175 from Methanobacterium thermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Gen.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15 _Citation.Page_last 25 _Citation.Year 2000 _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 J. Cort . R. . 4796 1 2 A. Yee . . . 4796 1 3 A. Edwards . M. . 4796 1 4 C. Arrowsmith . H. . 4796 1 5 M. Kennedy . A. . 4796 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ribonuclease H fold' 4796 1 'mixed a/b protein' 4796 1 'mixed beta sheet' 4796 1 'strand order 321456' 4796 1 'strands 2 and 6 antiparallel to rest' 4796 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH1175 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH1175 _Assembly.Entry_ID 4796 _Assembly.ID 1 _Assembly.Name 'HYPOTHETICAL PROTEIN MTH1175' _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 'not present' _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 4796 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 MTH1175 1 $MTH1175 . . . native . . . . . 4796 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HYPOTHETICAL PROTEIN MTH1175' system 4796 1 MTH1175 abbreviation 4796 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1175 _Entity.Sf_category entity _Entity.Sf_framecode MTH1175 _Entity.Entry_ID 4796 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HYPOTHETICAL PROTEIN MTH1175' _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 ; MGSSHHHHHHSSGLVPRGSH MKIAIASSGTDLGSEVSRFF GRAPYFMIVEMKKGNIESSE VIENPSASASGGAGIRTAQI IANNGVKAVIASSPGPNAFE VLNELGIKIYRATGTSVEEN LKLFTEGNLEEIRSPGSGRG RRRR ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The quoted molecular mass includes the 20 residue N-terminal tag seqeunce. The protein studied has a 20 residue N-terminal tag, MGSSHHHHHHSSGLVPRGSH, for purification purposes. The tag does not appear to influcence the structure, on the basis of the appearance of 1H-15N HSQC spectra of the protein with the tag versus spectra of the protein with the tag removed by trypsin cleavage ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 PDB 1EO1 . "Solution Structure Of Hypothetical Protein Mth1175 From Methanobacterium Thermoautotrophicum" . . . . . 86.11 124 100.00 100.00 3.61e-80 . . . . 4796 1 2 no GB AAB85664 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 86.11 124 100.00 100.00 3.61e-80 . . . . 4796 1 3 no REF NP_276303 . "hypothetical protein MTH1175 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 86.11 124 100.00 100.00 3.61e-80 . . . . 4796 1 4 no REF WP_010876799 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 86.11 124 100.00 100.00 3.61e-80 . . . . 4796 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HYPOTHETICAL PROTEIN MTH1175' common 4796 1 MTH1175 abbreviation 4796 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 . 4796 1 2 . GLY . 4796 1 3 . SER . 4796 1 4 . SER . 4796 1 5 . HIS . 4796 1 6 . HIS . 4796 1 7 . HIS . 4796 1 8 . HIS . 4796 1 9 . HIS . 4796 1 10 . HIS . 4796 1 11 . SER . 4796 1 12 . SER . 4796 1 13 . GLY . 4796 1 14 . LEU . 4796 1 15 . VAL . 4796 1 16 . PRO . 4796 1 17 . ARG . 4796 1 18 . GLY . 4796 1 19 . SER . 4796 1 20 . HIS . 4796 1 21 . MET . 4796 1 22 . LYS . 4796 1 23 . ILE . 4796 1 24 . ALA . 4796 1 25 . ILE . 4796 1 26 . ALA . 4796 1 27 . SER . 4796 1 28 . SER . 4796 1 29 . GLY . 4796 1 30 . THR . 4796 1 31 . ASP . 4796 1 32 . LEU . 4796 1 33 . GLY . 4796 1 34 . SER . 4796 1 35 . GLU . 4796 1 36 . VAL . 4796 1 37 . SER . 4796 1 38 . ARG . 4796 1 39 . PHE . 4796 1 40 . PHE . 4796 1 41 . GLY . 4796 1 42 . ARG . 4796 1 43 . ALA . 4796 1 44 . PRO . 4796 1 45 . TYR . 4796 1 46 . PHE . 4796 1 47 . MET . 4796 1 48 . ILE . 4796 1 49 . VAL . 4796 1 50 . GLU . 4796 1 51 . MET . 4796 1 52 . LYS . 4796 1 53 . LYS . 4796 1 54 . GLY . 4796 1 55 . ASN . 4796 1 56 . ILE . 4796 1 57 . GLU . 4796 1 58 . SER . 4796 1 59 . SER . 4796 1 60 . GLU . 4796 1 61 . VAL . 4796 1 62 . ILE . 4796 1 63 . GLU . 4796 1 64 . ASN . 4796 1 65 . PRO . 4796 1 66 . SER . 4796 1 67 . ALA . 4796 1 68 . SER . 4796 1 69 . ALA . 4796 1 70 . SER . 4796 1 71 . GLY . 4796 1 72 . GLY . 4796 1 73 . ALA . 4796 1 74 . GLY . 4796 1 75 . ILE . 4796 1 76 . ARG . 4796 1 77 . THR . 4796 1 78 . ALA . 4796 1 79 . GLN . 4796 1 80 . ILE . 4796 1 81 . ILE . 4796 1 82 . ALA . 4796 1 83 . ASN . 4796 1 84 . ASN . 4796 1 85 . GLY . 4796 1 86 . VAL . 4796 1 87 . LYS . 4796 1 88 . ALA . 4796 1 89 . VAL . 4796 1 90 . ILE . 4796 1 91 . ALA . 4796 1 92 . SER . 4796 1 93 . SER . 4796 1 94 . PRO . 4796 1 95 . GLY . 4796 1 96 . PRO . 4796 1 97 . ASN . 4796 1 98 . ALA . 4796 1 99 . PHE . 4796 1 100 . GLU . 4796 1 101 . VAL . 4796 1 102 . LEU . 4796 1 103 . ASN . 4796 1 104 . GLU . 4796 1 105 . LEU . 4796 1 106 . GLY . 4796 1 107 . ILE . 4796 1 108 . LYS . 4796 1 109 . ILE . 4796 1 110 . TYR . 4796 1 111 . ARG . 4796 1 112 . ALA . 4796 1 113 . THR . 4796 1 114 . GLY . 4796 1 115 . THR . 4796 1 116 . SER . 4796 1 117 . VAL . 4796 1 118 . GLU . 4796 1 119 . GLU . 4796 1 120 . ASN . 4796 1 121 . LEU . 4796 1 122 . LYS . 4796 1 123 . LEU . 4796 1 124 . PHE . 4796 1 125 . THR . 4796 1 126 . GLU . 4796 1 127 . GLY . 4796 1 128 . ASN . 4796 1 129 . LEU . 4796 1 130 . GLU . 4796 1 131 . GLU . 4796 1 132 . ILE . 4796 1 133 . ARG . 4796 1 134 . SER . 4796 1 135 . PRO . 4796 1 136 . GLY . 4796 1 137 . SER . 4796 1 138 . GLY . 4796 1 139 . ARG . 4796 1 140 . GLY . 4796 1 141 . ARG . 4796 1 142 . ARG . 4796 1 143 . ARG . 4796 1 144 . ARG . 4796 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 4796 1 . GLY 2 2 4796 1 . SER 3 3 4796 1 . SER 4 4 4796 1 . HIS 5 5 4796 1 . HIS 6 6 4796 1 . HIS 7 7 4796 1 . HIS 8 8 4796 1 . HIS 9 9 4796 1 . HIS 10 10 4796 1 . SER 11 11 4796 1 . SER 12 12 4796 1 . GLY 13 13 4796 1 . LEU 14 14 4796 1 . VAL 15 15 4796 1 . PRO 16 16 4796 1 . ARG 17 17 4796 1 . GLY 18 18 4796 1 . SER 19 19 4796 1 . HIS 20 20 4796 1 . MET 21 21 4796 1 . LYS 22 22 4796 1 . ILE 23 23 4796 1 . ALA 24 24 4796 1 . ILE 25 25 4796 1 . ALA 26 26 4796 1 . SER 27 27 4796 1 . SER 28 28 4796 1 . GLY 29 29 4796 1 . THR 30 30 4796 1 . ASP 31 31 4796 1 . LEU 32 32 4796 1 . GLY 33 33 4796 1 . SER 34 34 4796 1 . GLU 35 35 4796 1 . VAL 36 36 4796 1 . SER 37 37 4796 1 . ARG 38 38 4796 1 . PHE 39 39 4796 1 . PHE 40 40 4796 1 . GLY 41 41 4796 1 . ARG 42 42 4796 1 . ALA 43 43 4796 1 . PRO 44 44 4796 1 . TYR 45 45 4796 1 . PHE 46 46 4796 1 . MET 47 47 4796 1 . ILE 48 48 4796 1 . VAL 49 49 4796 1 . GLU 50 50 4796 1 . MET 51 51 4796 1 . LYS 52 52 4796 1 . LYS 53 53 4796 1 . GLY 54 54 4796 1 . ASN 55 55 4796 1 . ILE 56 56 4796 1 . GLU 57 57 4796 1 . SER 58 58 4796 1 . SER 59 59 4796 1 . GLU 60 60 4796 1 . VAL 61 61 4796 1 . ILE 62 62 4796 1 . GLU 63 63 4796 1 . ASN 64 64 4796 1 . PRO 65 65 4796 1 . SER 66 66 4796 1 . ALA 67 67 4796 1 . SER 68 68 4796 1 . ALA 69 69 4796 1 . SER 70 70 4796 1 . GLY 71 71 4796 1 . GLY 72 72 4796 1 . ALA 73 73 4796 1 . GLY 74 74 4796 1 . ILE 75 75 4796 1 . ARG 76 76 4796 1 . THR 77 77 4796 1 . ALA 78 78 4796 1 . GLN 79 79 4796 1 . ILE 80 80 4796 1 . ILE 81 81 4796 1 . ALA 82 82 4796 1 . ASN 83 83 4796 1 . ASN 84 84 4796 1 . GLY 85 85 4796 1 . VAL 86 86 4796 1 . LYS 87 87 4796 1 . ALA 88 88 4796 1 . VAL 89 89 4796 1 . ILE 90 90 4796 1 . ALA 91 91 4796 1 . SER 92 92 4796 1 . SER 93 93 4796 1 . PRO 94 94 4796 1 . GLY 95 95 4796 1 . PRO 96 96 4796 1 . ASN 97 97 4796 1 . ALA 98 98 4796 1 . PHE 99 99 4796 1 . GLU 100 100 4796 1 . VAL 101 101 4796 1 . LEU 102 102 4796 1 . ASN 103 103 4796 1 . GLU 104 104 4796 1 . LEU 105 105 4796 1 . GLY 106 106 4796 1 . ILE 107 107 4796 1 . LYS 108 108 4796 1 . ILE 109 109 4796 1 . TYR 110 110 4796 1 . ARG 111 111 4796 1 . ALA 112 112 4796 1 . THR 113 113 4796 1 . GLY 114 114 4796 1 . THR 115 115 4796 1 . SER 116 116 4796 1 . VAL 117 117 4796 1 . GLU 118 118 4796 1 . GLU 119 119 4796 1 . ASN 120 120 4796 1 . LEU 121 121 4796 1 . LYS 122 122 4796 1 . LEU 123 123 4796 1 . PHE 124 124 4796 1 . THR 125 125 4796 1 . GLU 126 126 4796 1 . GLY 127 127 4796 1 . ASN 128 128 4796 1 . LEU 129 129 4796 1 . GLU 130 130 4796 1 . GLU 131 131 4796 1 . ILE 132 132 4796 1 . ARG 133 133 4796 1 . SER 134 134 4796 1 . PRO 135 135 4796 1 . GLY 136 136 4796 1 . SER 137 137 4796 1 . GLY 138 138 4796 1 . ARG 139 139 4796 1 . GLY 140 140 4796 1 . ARG 141 141 4796 1 . ARG 142 142 4796 1 . ARG 143 143 4796 1 . ARG 144 144 4796 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 4796 _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 $MTH1175 . 145262 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum 'delta H' . . . . . . . . . . . . . . . . . 'genomic DNA' . . 4796 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 4796 _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 $MTH1175 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . PET15B . . . . . . 4796 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4796 _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 'HYPOTHETICAL PROTEIN MTH1175' '[U-13C; U-15N]' . . 1 $MTH1175 . . . 1.5 2.0 mM . . . . 4796 1 2 NaCl . . . . . . . 150 . . mM . . . . 4796 1 3 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4796 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4796 _Sample.ID 2 _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 'HYPOTHETICAL PROTEIN MTH1175' [U-15N] . . 1 $MTH1175 . . . 1.5 2.0 mM . . . . 4796 2 2 NaCl . . . . . . . 150 . . mM . . . . 4796 2 3 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4796 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4796 _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 6.5 0.2 n.a 4796 1 temperature 298 1 K 4796 1 'ionic strength' 150 . mM 4796 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4796 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement, structure solution' 4796 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4796 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4796 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4796 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4796 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4796 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4796 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4796 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4796 _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 NMR_spectrometer_1 Varian Inova . 600 . . . 4796 1 2 NMR_spectrometer_2 Varian 'Unity Plus' . 500 . . . 4796 1 3 NMR_spectrometer_3 Varian Inova . 750 . . . 4796 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 4796 _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 '4D 13C-separated_NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 2 '3D 15N-separated_NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 3 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 4 '3D 13C,15N-simultaneous NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 5 '1H-15N HSQC D2O exchange' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 6 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 7 HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 8 CBCACONNH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 9 CBCACOCAHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 11 HCC-TOCSY-NNH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 1 12 CCC-TOCSY-NNH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4796 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 4796 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '4D 13C-separated_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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated_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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C,15N-simultaneous 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N HSQC D2O exchange' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 7 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCACONNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 4796 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCACOCAHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4796 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4796 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCC-TOCSY-NNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4796 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CCC-TOCSY-NNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4796 _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 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4796 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4796 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4796 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4796 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D 13C-separated_NOESY' . . . 4796 1 2 '3D 15N-separated_NOESY' . . . 4796 1 3 HNHA . . . 4796 1 4 '3D 13C,15N-simultaneous NOESY' . . . 4796 1 5 '1H-15N HSQC D2O exchange' . . . 4796 1 6 HNCO . . . 4796 1 7 HNCACB . . . 4796 1 8 CBCACONNH . . . 4796 1 9 CBCACOCAHA . . . 4796 1 10 HCCH-TOCSY . . . 4796 1 11 HCC-TOCSY-NNH . . . 4796 1 12 CCC-TOCSY-NNH . . . 4796 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 21 21 MET H H 1 8.72 0.02 . 1 . . . . . . . . 4796 1 2 . 1 1 21 21 MET HA H 1 4.70 0.02 . 1 . . . . . . . . 4796 1 3 . 1 1 21 21 MET HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4796 1 4 . 1 1 21 21 MET HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4796 1 5 . 1 1 21 21 MET HG3 H 1 2.60 0.02 . 2 . . . . . . . . 4796 1 6 . 1 1 21 21 MET HE1 H 1 2.15 0.02 . 1 . . . . . . . . 4796 1 7 . 1 1 21 21 MET HE2 H 1 2.15 0.02 . 1 . . . . . . . . 4796 1 8 . 1 1 21 21 MET HE3 H 1 2.15 0.02 . 1 . . . . . . . . 4796 1 9 . 1 1 21 21 MET CA C 13 55.2 0.1 . 1 . . . . . . . . 4796 1 10 . 1 1 21 21 MET CB C 13 35.1 0.1 . 1 . . . . . . . . 4796 1 11 . 1 1 21 21 MET CG C 13 31.5 0.1 . 1 . . . . . . . . 4796 1 12 . 1 1 21 21 MET CE C 13 17.1 0.1 . 1 . . . . . . . . 4796 1 13 . 1 1 21 21 MET N N 15 123.1 0.05 . 1 . . . . . . . . 4796 1 14 . 1 1 22 22 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 4796 1 15 . 1 1 22 22 LYS HA H 1 5.45 0.02 . 1 . . . . . . . . 4796 1 16 . 1 1 22 22 LYS HB2 H 1 1.63 0.02 . 4 . . . . . . . . 4796 1 17 . 1 1 22 22 LYS HG2 H 1 1.43 0.02 . 4 . . . . . . . . 4796 1 18 . 1 1 22 22 LYS HD2 H 1 1.11 0.02 . 4 . . . . . . . . 4796 1 19 . 1 1 22 22 LYS C C 13 175.2 0.1 . 1 . . . . . . . . 4796 1 20 . 1 1 22 22 LYS CA C 13 55.4 0.1 . 1 . . . . . . . . 4796 1 21 . 1 1 22 22 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 4796 1 22 . 1 1 22 22 LYS N N 15 123.7 0.05 . 1 . . . . . . . . 4796 1 23 . 1 1 23 23 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 4796 1 24 . 1 1 23 23 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . 4796 1 25 . 1 1 23 23 ILE HB H 1 1.38 0.02 . 1 . . . . . . . . 4796 1 26 . 1 1 23 23 ILE HG12 H 1 0.65 0.02 . 2 . . . . . . . . 4796 1 27 . 1 1 23 23 ILE HG13 H 1 1.24 0.02 . 2 . . . . . . . . 4796 1 28 . 1 1 23 23 ILE HG21 H 1 0.41 0.02 . 1 . . . . . . . . 4796 1 29 . 1 1 23 23 ILE HG22 H 1 0.41 0.02 . 1 . . . . . . . . 4796 1 30 . 1 1 23 23 ILE HG23 H 1 0.41 0.02 . 1 . . . . . . . . 4796 1 31 . 1 1 23 23 ILE HD11 H 1 0.40 0.02 . 1 . . . . . . . . 4796 1 32 . 1 1 23 23 ILE HD12 H 1 0.40 0.02 . 1 . . . . . . . . 4796 1 33 . 1 1 23 23 ILE HD13 H 1 0.40 0.02 . 1 . . . . . . . . 4796 1 34 . 1 1 23 23 ILE C C 13 174.1 0.1 . 1 . . . . . . . . 4796 1 35 . 1 1 23 23 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 36 . 1 1 23 23 ILE CB C 13 42.4 0.1 . 1 . . . . . . . . 4796 1 37 . 1 1 23 23 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 4796 1 38 . 1 1 23 23 ILE CG2 C 13 17.9 0.1 . 1 . . . . . . . . 4796 1 39 . 1 1 23 23 ILE CD1 C 13 15.4 0.1 . 1 . . . . . . . . 4796 1 40 . 1 1 23 23 ILE N N 15 124.4 0.05 . 1 . . . . . . . . 4796 1 41 . 1 1 24 24 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 4796 1 42 . 1 1 24 24 ALA HA H 1 5.97 0.02 . 1 . . . . . . . . 4796 1 43 . 1 1 24 24 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4796 1 44 . 1 1 24 24 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4796 1 45 . 1 1 24 24 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4796 1 46 . 1 1 24 24 ALA CA C 13 49.4 0.1 . 1 . . . . . . . . 4796 1 47 . 1 1 24 24 ALA CB C 13 23.5 0.1 . 1 . . . . . . . . 4796 1 48 . 1 1 24 24 ALA N N 15 125.1 0.05 . 1 . . . . . . . . 4796 1 49 . 1 1 25 25 ILE H H 1 9.58 0.02 . 1 . . . . . . . . 4796 1 50 . 1 1 25 25 ILE HA H 1 5.20 0.02 . 1 . . . . . . . . 4796 1 51 . 1 1 25 25 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4796 1 52 . 1 1 25 25 ILE HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4796 1 53 . 1 1 25 25 ILE HG13 H 1 1.53 0.02 . 2 . . . . . . . . 4796 1 54 . 1 1 25 25 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4796 1 55 . 1 1 25 25 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4796 1 56 . 1 1 25 25 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4796 1 57 . 1 1 25 25 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 58 . 1 1 25 25 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 59 . 1 1 25 25 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 60 . 1 1 25 25 ILE C C 13 175.3 0.1 . 1 . . . . . . . . 4796 1 61 . 1 1 25 25 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . 4796 1 62 . 1 1 25 25 ILE CB C 13 41.3 0.1 . 1 . . . . . . . . 4796 1 63 . 1 1 25 25 ILE CG1 C 13 29.8 0.1 . 1 . . . . . . . . 4796 1 64 . 1 1 25 25 ILE CG2 C 13 20.8 0.1 . 1 . . . . . . . . 4796 1 65 . 1 1 25 25 ILE CD1 C 13 16.7 0.1 . 1 . . . . . . . . 4796 1 66 . 1 1 25 25 ILE N N 15 121.2 0.05 . 1 . . . . . . . . 4796 1 67 . 1 1 26 26 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 4796 1 68 . 1 1 26 26 ALA HA H 1 3.50 0.02 . 1 . . . . . . . . 4796 1 69 . 1 1 26 26 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4796 1 70 . 1 1 26 26 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4796 1 71 . 1 1 26 26 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4796 1 72 . 1 1 26 26 ALA C C 13 176.8 0.1 . 1 . . . . . . . . 4796 1 73 . 1 1 26 26 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 4796 1 74 . 1 1 26 26 ALA CB C 13 19.5 0.1 . 1 . . . . . . . . 4796 1 75 . 1 1 26 26 ALA N N 15 131.2 0.05 . 1 . . . . . . . . 4796 1 76 . 1 1 27 27 SER H H 1 8.72 0.02 . 1 . . . . . . . . 4796 1 77 . 1 1 27 27 SER HA H 1 4.86 0.02 . 1 . . . . . . . . 4796 1 78 . 1 1 27 27 SER HB2 H 1 3.42 0.02 . 2 . . . . . . . . 4796 1 79 . 1 1 27 27 SER HB3 H 1 3.51 0.02 . 2 . . . . . . . . 4796 1 80 . 1 1 27 27 SER C C 13 173.2 0.1 . 1 . . . . . . . . 4796 1 81 . 1 1 27 27 SER CA C 13 56.8 0.1 . 1 . . . . . . . . 4796 1 82 . 1 1 27 27 SER CB C 13 65.0 0.1 . 1 . . . . . . . . 4796 1 83 . 1 1 27 27 SER N N 15 117.7 0.05 . 1 . . . . . . . . 4796 1 84 . 1 1 28 28 SER H H 1 8.24 0.02 . 1 . . . . . . . . 4796 1 85 . 1 1 28 28 SER HA H 1 4.62 0.02 . 1 . . . . . . . . 4796 1 86 . 1 1 28 28 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 4796 1 87 . 1 1 28 28 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 4796 1 88 . 1 1 28 28 SER C C 13 174.9 0.1 . 1 . . . . . . . . 4796 1 89 . 1 1 28 28 SER CA C 13 58.8 0.1 . 1 . . . . . . . . 4796 1 90 . 1 1 28 28 SER CB C 13 64.0 0.1 . 1 . . . . . . . . 4796 1 91 . 1 1 28 28 SER N N 15 118.8 0.05 . 1 . . . . . . . . 4796 1 92 . 1 1 29 29 GLY H H 1 8.40 0.02 . 1 . . . . . . . . 4796 1 93 . 1 1 29 29 GLY HA2 H 1 4.41 0.02 . 2 . . . . . . . . 4796 1 94 . 1 1 29 29 GLY C C 13 173.2 0.1 . 1 . . . . . . . . 4796 1 95 . 1 1 29 29 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 4796 1 96 . 1 1 29 29 GLY N N 15 110.5 0.05 . 1 . . . . . . . . 4796 1 97 . 1 1 30 30 THR H H 1 7.90 0.02 . 1 . . . . . . . . 4796 1 98 . 1 1 30 30 THR HA H 1 3.87 0.02 . 1 . . . . . . . . 4796 1 99 . 1 1 30 30 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 4796 1 100 . 1 1 30 30 THR HG21 H 1 0.27 0.02 . 1 . . . . . . . . 4796 1 101 . 1 1 30 30 THR HG22 H 1 0.27 0.02 . 1 . . . . . . . . 4796 1 102 . 1 1 30 30 THR HG23 H 1 0.27 0.02 . 1 . . . . . . . . 4796 1 103 . 1 1 30 30 THR CA C 13 60.9 0.1 . 1 . . . . . . . . 4796 1 104 . 1 1 30 30 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 4796 1 105 . 1 1 30 30 THR CG2 C 13 20.1 0.1 . 1 . . . . . . . . 4796 1 106 . 1 1 30 30 THR N N 15 105.8 0.05 . 1 . . . . . . . . 4796 1 107 . 1 1 31 31 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 4796 1 108 . 1 1 31 31 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 4796 1 109 . 1 1 31 31 ASP HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4796 1 110 . 1 1 31 31 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4796 1 111 . 1 1 31 31 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 4796 1 112 . 1 1 31 31 ASP CA C 13 52.8 0.1 . 1 . . . . . . . . 4796 1 113 . 1 1 31 31 ASP CB C 13 44.5 0.1 . 1 . . . . . . . . 4796 1 114 . 1 1 31 31 ASP CG C 13 177.0 0.1 . 1 . . . . . . . . 4796 1 115 . 1 1 31 31 ASP N N 15 119.2 0.05 . 1 . . . . . . . . 4796 1 116 . 1 1 32 32 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 4796 1 117 . 1 1 32 32 LEU HA H 1 4.97 0.02 . 1 . . . . . . . . 4796 1 118 . 1 1 32 32 LEU C C 13 176.6 0.1 . 1 . . . . . . . . 4796 1 119 . 1 1 32 32 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4796 1 120 . 1 1 32 32 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 4796 1 121 . 1 1 32 32 LEU N N 15 122.8 0.05 . 1 . . . . . . . . 4796 1 122 . 1 1 33 33 GLY H H 1 8.40 0.02 . 1 . . . . . . . . 4796 1 123 . 1 1 33 33 GLY HA2 H 1 3.61 0.02 . 2 . . . . . . . . 4796 1 124 . 1 1 33 33 GLY HA3 H 1 4.23 0.02 . 2 . . . . . . . . 4796 1 125 . 1 1 33 33 GLY C C 13 174.9 0.1 . 1 . . . . . . . . 4796 1 126 . 1 1 33 33 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 4796 1 127 . 1 1 33 33 GLY N N 15 103.9 0.05 . 1 . . . . . . . . 4796 1 128 . 1 1 34 34 SER H H 1 7.48 0.02 . 1 . . . . . . . . 4796 1 129 . 1 1 34 34 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 4796 1 130 . 1 1 34 34 SER HB2 H 1 3.73 0.02 . 2 . . . . . . . . 4796 1 131 . 1 1 34 34 SER C C 13 172.4 0.1 . 1 . . . . . . . . 4796 1 132 . 1 1 34 34 SER CA C 13 59.8 0.1 . 1 . . . . . . . . 4796 1 133 . 1 1 34 34 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 4796 1 134 . 1 1 34 34 SER N N 15 117.6 0.05 . 1 . . . . . . . . 4796 1 135 . 1 1 35 35 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 4796 1 136 . 1 1 35 35 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 4796 1 137 . 1 1 35 35 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4796 1 138 . 1 1 35 35 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4796 1 139 . 1 1 35 35 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 4796 1 140 . 1 1 35 35 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 4796 1 141 . 1 1 35 35 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 4796 1 142 . 1 1 35 35 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 4796 1 143 . 1 1 35 35 GLU N N 15 122.3 0.05 . 1 . . . . . . . . 4796 1 144 . 1 1 36 36 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 4796 1 145 . 1 1 36 36 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 4796 1 146 . 1 1 36 36 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 4796 1 147 . 1 1 36 36 VAL CA C 13 62.6 0.1 . 1 . . . . . . . . 4796 1 148 . 1 1 36 36 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 4796 1 149 . 1 1 36 36 VAL N N 15 121.2 0.05 . 1 . . . . . . . . 4796 1 150 . 1 1 37 37 SER H H 1 7.19 0.02 . 1 . . . . . . . . 4796 1 151 . 1 1 37 37 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 4796 1 152 . 1 1 37 37 SER C C 13 175.8 0.1 . 1 . . . . . . . . 4796 1 153 . 1 1 37 37 SER CA C 13 57.6 0.1 . 1 . . . . . . . . 4796 1 154 . 1 1 37 37 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 4796 1 155 . 1 1 37 37 SER N N 15 116.1 0.05 . 1 . . . . . . . . 4796 1 156 . 1 1 38 38 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4796 1 157 . 1 1 38 38 ARG HA H 1 4.19 0.02 . 1 . . . . . . . . 4796 1 158 . 1 1 38 38 ARG HG2 H 1 1.29 0.02 . 2 . . . . . . . . 4796 1 159 . 1 1 38 38 ARG HD2 H 1 2.99 0.02 . 2 . . . . . . . . 4796 1 160 . 1 1 38 38 ARG C C 13 175.3 0.1 . 1 . . . . . . . . 4796 1 161 . 1 1 38 38 ARG CA C 13 56.9 0.1 . 1 . . . . . . . . 4796 1 162 . 1 1 38 38 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 4796 1 163 . 1 1 38 38 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 4796 1 164 . 1 1 38 38 ARG CD C 13 43.2 0.1 . 1 . . . . . . . . 4796 1 165 . 1 1 38 38 ARG N N 15 126.2 0.05 . 1 . . . . . . . . 4796 1 166 . 1 1 39 39 PHE H H 1 8.05 0.02 . 1 . . . . . . . . 4796 1 167 . 1 1 39 39 PHE HA H 1 4.93 0.02 . 1 . . . . . . . . 4796 1 168 . 1 1 39 39 PHE C C 13 174.7 0.1 . 1 . . . . . . . . 4796 1 169 . 1 1 39 39 PHE CA C 13 55.7 0.1 . 1 . . . . . . . . 4796 1 170 . 1 1 39 39 PHE CB C 13 42.7 0.1 . 1 . . . . . . . . 4796 1 171 . 1 1 39 39 PHE N N 15 117.9 0.05 . 1 . . . . . . . . 4796 1 172 . 1 1 40 40 PHE H H 1 8.89 0.02 . 1 . . . . . . . . 4796 1 173 . 1 1 40 40 PHE HA H 1 4.78 0.02 . 1 . . . . . . . . 4796 1 174 . 1 1 40 40 PHE HD1 H 1 7.45 0.02 . 2 . . . . . . . . 4796 1 175 . 1 1 40 40 PHE HE1 H 1 7.29 0.02 . 2 . . . . . . . . 4796 1 176 . 1 1 40 40 PHE HZ H 1 6.78 0.02 . 1 . . . . . . . . 4796 1 177 . 1 1 40 40 PHE C C 13 174.9 0.1 . 1 . . . . . . . . 4796 1 178 . 1 1 40 40 PHE CA C 13 60.4 0.1 . 1 . . . . . . . . 4796 1 179 . 1 1 40 40 PHE CB C 13 39.3 0.1 . 1 . . . . . . . . 4796 1 180 . 1 1 40 40 PHE CD1 C 13 132.0 0.1 . 2 . . . . . . . . 4796 1 181 . 1 1 40 40 PHE CE1 C 13 130.9 0.1 . 2 . . . . . . . . 4796 1 182 . 1 1 40 40 PHE CZ C 13 128.6 0.1 . 1 . . . . . . . . 4796 1 183 . 1 1 40 40 PHE N N 15 120.9 0.05 . 1 . . . . . . . . 4796 1 184 . 1 1 41 41 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 4796 1 185 . 1 1 41 41 GLY HA2 H 1 3.69 0.02 . 2 . . . . . . . . 4796 1 186 . 1 1 41 41 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 4796 1 187 . 1 1 41 41 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 4796 1 188 . 1 1 41 41 GLY CA C 13 46.6 0.1 . 1 . . . . . . . . 4796 1 189 . 1 1 41 41 GLY N N 15 108.9 0.05 . 1 . . . . . . . . 4796 1 190 . 1 1 42 42 ARG H H 1 7.32 0.02 . 1 . . . . . . . . 4796 1 191 . 1 1 42 42 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4796 1 192 . 1 1 42 42 ARG C C 13 175.6 0.1 . 1 . . . . . . . . 4796 1 193 . 1 1 42 42 ARG CA C 13 54.3 0.1 . 1 . . . . . . . . 4796 1 194 . 1 1 42 42 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 4796 1 195 . 1 1 42 42 ARG N N 15 111.9 0.05 . 1 . . . . . . . . 4796 1 196 . 1 1 43 43 ALA H H 1 7.20 0.02 . 1 . . . . . . . . 4796 1 197 . 1 1 43 43 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 4796 1 198 . 1 1 43 43 ALA HB1 H 1 1.12 0.02 . 1 . . . . . . . . 4796 1 199 . 1 1 43 43 ALA HB2 H 1 1.12 0.02 . 1 . . . . . . . . 4796 1 200 . 1 1 43 43 ALA HB3 H 1 1.12 0.02 . 1 . . . . . . . . 4796 1 201 . 1 1 43 43 ALA C C 13 176.8 0.1 . 1 . . . . . . . . 4796 1 202 . 1 1 43 43 ALA CA C 13 51.1 0.1 . 1 . . . . . . . . 4796 1 203 . 1 1 43 43 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . 4796 1 204 . 1 1 43 43 ALA N N 15 125.7 0.05 . 1 . . . . . . . . 4796 1 205 . 1 1 44 44 PRO HA H 1 4.08 0.02 . 1 . . . . . . . . 4796 1 206 . 1 1 44 44 PRO HB2 H 1 1.47 0.02 . 2 . . . . . . . . 4796 1 207 . 1 1 44 44 PRO HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4796 1 208 . 1 1 44 44 PRO HG2 H 1 2.18 0.02 . 2 . . . . . . . . 4796 1 209 . 1 1 44 44 PRO HG3 H 1 2.47 0.02 . 2 . . . . . . . . 4796 1 210 . 1 1 44 44 PRO HD2 H 1 3.88 0.02 . 2 . . . . . . . . 4796 1 211 . 1 1 44 44 PRO HD3 H 1 3.92 0.02 . 2 . . . . . . . . 4796 1 212 . 1 1 44 44 PRO C C 13 176.5 0.1 . 1 . . . . . . . . 4796 1 213 . 1 1 44 44 PRO CA C 13 64.5 0.1 . 1 . . . . . . . . 4796 1 214 . 1 1 44 44 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 4796 1 215 . 1 1 44 44 PRO CG C 13 27.6 0.1 . 1 . . . . . . . . 4796 1 216 . 1 1 44 44 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 4796 1 217 . 1 1 45 45 TYR H H 1 7.42 0.02 . 1 . . . . . . . . 4796 1 218 . 1 1 45 45 TYR HA H 1 5.31 0.02 . 1 . . . . . . . . 4796 1 219 . 1 1 45 45 TYR HB2 H 1 2.44 0.02 . 2 . . . . . . . . 4796 1 220 . 1 1 45 45 TYR HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4796 1 221 . 1 1 45 45 TYR HD1 H 1 6.69 0.02 . 2 . . . . . . . . 4796 1 222 . 1 1 45 45 TYR HE1 H 1 6.67 0.02 . 2 . . . . . . . . 4796 1 223 . 1 1 45 45 TYR C C 13 174.2 0.1 . 1 . . . . . . . . 4796 1 224 . 1 1 45 45 TYR CA C 13 55.6 0.1 . 1 . . . . . . . . 4796 1 225 . 1 1 45 45 TYR CB C 13 43.2 0.1 . 1 . . . . . . . . 4796 1 226 . 1 1 45 45 TYR CD1 C 13 133.4 0.1 . 2 . . . . . . . . 4796 1 227 . 1 1 45 45 TYR CE1 C 13 117.5 0.1 . 2 . . . . . . . . 4796 1 228 . 1 1 45 45 TYR N N 15 113.6 0.05 . 1 . . . . . . . . 4796 1 229 . 1 1 46 46 PHE H H 1 8.92 0.02 . 1 . . . . . . . . 4796 1 230 . 1 1 46 46 PHE HA H 1 5.06 0.02 . 1 . . . . . . . . 4796 1 231 . 1 1 46 46 PHE HB2 H 1 2.46 0.02 . 2 . . . . . . . . 4796 1 232 . 1 1 46 46 PHE HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4796 1 233 . 1 1 46 46 PHE HD1 H 1 6.73 0.02 . 2 . . . . . . . . 4796 1 234 . 1 1 46 46 PHE HE1 H 1 6.94 0.02 . 2 . . . . . . . . 4796 1 235 . 1 1 46 46 PHE C C 13 175.1 0.1 . 1 . . . . . . . . 4796 1 236 . 1 1 46 46 PHE CA C 13 57.4 0.1 . 1 . . . . . . . . 4796 1 237 . 1 1 46 46 PHE CB C 13 42.1 0.1 . 1 . . . . . . . . 4796 1 238 . 1 1 46 46 PHE CD1 C 13 130.2 0.1 . 2 . . . . . . . . 4796 1 239 . 1 1 46 46 PHE N N 15 115.0 0.05 . 1 . . . . . . . . 4796 1 240 . 1 1 47 47 MET H H 1 8.90 0.02 . 1 . . . . . . . . 4796 1 241 . 1 1 47 47 MET HA H 1 5.10 0.02 . 1 . . . . . . . . 4796 1 242 . 1 1 47 47 MET HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4796 1 243 . 1 1 47 47 MET HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4796 1 244 . 1 1 47 47 MET HG2 H 1 1.95 0.02 . 2 . . . . . . . . 4796 1 245 . 1 1 47 47 MET HE1 H 1 1.73 0.02 . 1 . . . . . . . . 4796 1 246 . 1 1 47 47 MET HE2 H 1 1.73 0.02 . 1 . . . . . . . . 4796 1 247 . 1 1 47 47 MET HE3 H 1 1.73 0.02 . 1 . . . . . . . . 4796 1 248 . 1 1 47 47 MET C C 13 175.0 0.1 . 1 . . . . . . . . 4796 1 249 . 1 1 47 47 MET CA C 13 54.0 0.1 . 1 . . . . . . . . 4796 1 250 . 1 1 47 47 MET CB C 13 32.4 0.1 . 1 . . . . . . . . 4796 1 251 . 1 1 47 47 MET CG C 13 33.7 0.1 . 1 . . . . . . . . 4796 1 252 . 1 1 47 47 MET CE C 13 16.4 0.1 . 1 . . . . . . . . 4796 1 253 . 1 1 47 47 MET N N 15 122.3 0.05 . 1 . . . . . . . . 4796 1 254 . 1 1 48 48 ILE H H 1 9.59 0.02 . 1 . . . . . . . . 4796 1 255 . 1 1 48 48 ILE HA H 1 5.13 0.02 . 1 . . . . . . . . 4796 1 256 . 1 1 48 48 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . 4796 1 257 . 1 1 48 48 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 4796 1 258 . 1 1 48 48 ILE HG13 H 1 1.45 0.02 . 2 . . . . . . . . 4796 1 259 . 1 1 48 48 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 260 . 1 1 48 48 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 261 . 1 1 48 48 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 262 . 1 1 48 48 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 4796 1 263 . 1 1 48 48 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 4796 1 264 . 1 1 48 48 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 4796 1 265 . 1 1 48 48 ILE C C 13 176.3 0.1 . 1 . . . . . . . . 4796 1 266 . 1 1 48 48 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 267 . 1 1 48 48 ILE CB C 13 36.8 0.1 . 1 . . . . . . . . 4796 1 268 . 1 1 48 48 ILE CG1 C 13 26.7 0.1 . 1 . . . . . . . . 4796 1 269 . 1 1 48 48 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 4796 1 270 . 1 1 48 48 ILE CD1 C 13 11.5 0.1 . 1 . . . . . . . . 4796 1 271 . 1 1 48 48 ILE N N 15 128.7 0.05 . 1 . . . . . . . . 4796 1 272 . 1 1 49 49 VAL H H 1 9.30 0.02 . 1 . . . . . . . . 4796 1 273 . 1 1 49 49 VAL HA H 1 4.93 0.02 . 1 . . . . . . . . 4796 1 274 . 1 1 49 49 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 4796 1 275 . 1 1 49 49 VAL HG11 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 276 . 1 1 49 49 VAL HG12 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 277 . 1 1 49 49 VAL HG13 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 278 . 1 1 49 49 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 279 . 1 1 49 49 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 280 . 1 1 49 49 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 281 . 1 1 49 49 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 4796 1 282 . 1 1 49 49 VAL CA C 13 59.6 0.1 . 1 . . . . . . . . 4796 1 283 . 1 1 49 49 VAL CB C 13 35.0 0.1 . 1 . . . . . . . . 4796 1 284 . 1 1 49 49 VAL CG1 C 13 20.9 0.1 . 2 . . . . . . . . 4796 1 285 . 1 1 49 49 VAL CG2 C 13 22.0 0.1 . 2 . . . . . . . . 4796 1 286 . 1 1 49 49 VAL N N 15 125.4 0.05 . 1 . . . . . . . . 4796 1 287 . 1 1 50 50 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4796 1 288 . 1 1 50 50 GLU HA H 1 4.98 0.02 . 1 . . . . . . . . 4796 1 289 . 1 1 50 50 GLU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4796 1 290 . 1 1 50 50 GLU HG2 H 1 2.00 0.02 . 2 . . . . . . . . 4796 1 291 . 1 1 50 50 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4796 1 292 . 1 1 50 50 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 4796 1 293 . 1 1 50 50 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 4796 1 294 . 1 1 50 50 GLU CB C 13 31.6 0.1 . 1 . . . . . . . . 4796 1 295 . 1 1 50 50 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 4796 1 296 . 1 1 50 50 GLU N N 15 125.4 0.05 . 1 . . . . . . . . 4796 1 297 . 1 1 51 51 MET H H 1 9.03 0.02 . 1 . . . . . . . . 4796 1 298 . 1 1 51 51 MET HA H 1 5.42 0.02 . 1 . . . . . . . . 4796 1 299 . 1 1 51 51 MET HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4796 1 300 . 1 1 51 51 MET HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4796 1 301 . 1 1 51 51 MET HG3 H 1 2.34 0.02 . 2 . . . . . . . . 4796 1 302 . 1 1 51 51 MET HE1 H 1 1.82 0.02 . 1 . . . . . . . . 4796 1 303 . 1 1 51 51 MET HE2 H 1 1.82 0.02 . 1 . . . . . . . . 4796 1 304 . 1 1 51 51 MET HE3 H 1 1.82 0.02 . 1 . . . . . . . . 4796 1 305 . 1 1 51 51 MET C C 13 175.4 0.1 . 1 . . . . . . . . 4796 1 306 . 1 1 51 51 MET CA C 13 53.7 0.1 . 1 . . . . . . . . 4796 1 307 . 1 1 51 51 MET CB C 13 35.4 0.1 . 1 . . . . . . . . 4796 1 308 . 1 1 51 51 MET CG C 13 32.3 0.1 . 1 . . . . . . . . 4796 1 309 . 1 1 51 51 MET CE C 13 16.4 0.1 . 1 . . . . . . . . 4796 1 310 . 1 1 51 51 MET N N 15 125.1 0.05 . 1 . . . . . . . . 4796 1 311 . 1 1 52 52 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 4796 1 312 . 1 1 52 52 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . 4796 1 313 . 1 1 52 52 LYS HB2 H 1 1.49 0.02 . 4 . . . . . . . . 4796 1 314 . 1 1 52 52 LYS HB3 H 1 1.75 0.02 . 4 . . . . . . . . 4796 1 315 . 1 1 52 52 LYS HG2 H 1 1.20 0.02 . 4 . . . . . . . . 4796 1 316 . 1 1 52 52 LYS HE2 H 1 2.76 0.02 . 2 . . . . . . . . 4796 1 317 . 1 1 52 52 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 4796 1 318 . 1 1 52 52 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 4796 1 319 . 1 1 52 52 LYS CB C 13 35.4 0.1 . 1 . . . . . . . . 4796 1 320 . 1 1 52 52 LYS CG C 13 25.5 0.1 . 1 . . . . . . . . 4796 1 321 . 1 1 52 52 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 4796 1 322 . 1 1 52 52 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 4796 1 323 . 1 1 52 52 LYS N N 15 122.3 0.05 . 1 . . . . . . . . 4796 1 324 . 1 1 53 53 LYS H H 1 9.26 0.02 . 1 . . . . . . . . 4796 1 325 . 1 1 53 53 LYS HA H 1 3.89 0.02 . 1 . . . . . . . . 4796 1 326 . 1 1 53 53 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4796 1 327 . 1 1 53 53 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4796 1 328 . 1 1 53 53 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4796 1 329 . 1 1 53 53 LYS HG3 H 1 1.70 0.02 . 2 . . . . . . . . 4796 1 330 . 1 1 53 53 LYS HE2 H 1 2.98 0.02 . 2 . . . . . . . . 4796 1 331 . 1 1 53 53 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 4796 1 332 . 1 1 53 53 LYS CA C 13 57.5 0.1 . 1 . . . . . . . . 4796 1 333 . 1 1 53 53 LYS CB C 13 30.5 0.1 . 1 . . . . . . . . 4796 1 334 . 1 1 53 53 LYS CG C 13 25.5 0.1 . 1 . . . . . . . . 4796 1 335 . 1 1 53 53 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 4796 1 336 . 1 1 53 53 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 4796 1 337 . 1 1 53 53 LYS N N 15 127.4 0.05 . 1 . . . . . . . . 4796 1 338 . 1 1 54 54 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 4796 1 339 . 1 1 54 54 GLY HA2 H 1 3.60 0.02 . 2 . . . . . . . . 4796 1 340 . 1 1 54 54 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 4796 1 341 . 1 1 54 54 GLY C C 13 173.0 0.1 . 1 . . . . . . . . 4796 1 342 . 1 1 54 54 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 4796 1 343 . 1 1 54 54 GLY N N 15 104.6 0.05 . 1 . . . . . . . . 4796 1 344 . 1 1 55 55 ASN H H 1 7.97 0.02 . 1 . . . . . . . . 4796 1 345 . 1 1 55 55 ASN HA H 1 5.00 0.02 . 1 . . . . . . . . 4796 1 346 . 1 1 55 55 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4796 1 347 . 1 1 55 55 ASN C C 13 174.4 0.1 . 1 . . . . . . . . 4796 1 348 . 1 1 55 55 ASN CA C 13 51.7 0.1 . 1 . . . . . . . . 4796 1 349 . 1 1 55 55 ASN CB C 13 41.2 0.1 . 1 . . . . . . . . 4796 1 350 . 1 1 55 55 ASN N N 15 118.5 0.05 . 1 . . . . . . . . 4796 1 351 . 1 1 56 56 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 4796 1 352 . 1 1 56 56 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 4796 1 353 . 1 1 56 56 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 354 . 1 1 56 56 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 355 . 1 1 56 56 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 356 . 1 1 56 56 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 357 . 1 1 56 56 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 358 . 1 1 56 56 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 359 . 1 1 56 56 ILE C C 13 175.9 0.1 . 1 . . . . . . . . 4796 1 360 . 1 1 56 56 ILE CA C 13 62.8 0.1 . 1 . . . . . . . . 4796 1 361 . 1 1 56 56 ILE CB C 13 37.9 0.1 . 1 . . . . . . . . 4796 1 362 . 1 1 56 56 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 4796 1 363 . 1 1 56 56 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 4796 1 364 . 1 1 56 56 ILE N N 15 123.4 0.05 . 1 . . . . . . . . 4796 1 365 . 1 1 57 57 GLU H H 1 9.25 0.02 . 1 . . . . . . . . 4796 1 366 . 1 1 57 57 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 4796 1 367 . 1 1 57 57 GLU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4796 1 368 . 1 1 57 57 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4796 1 369 . 1 1 57 57 GLU HG2 H 1 2.16 0.02 . 2 . . . . . . . . 4796 1 370 . 1 1 57 57 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 4796 1 371 . 1 1 57 57 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 4796 1 372 . 1 1 57 57 GLU CB C 13 31.4 0.1 . 1 . . . . . . . . 4796 1 373 . 1 1 57 57 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 4796 1 374 . 1 1 57 57 GLU N N 15 130.5 0.05 . 1 . . . . . . . . 4796 1 375 . 1 1 58 58 SER H H 1 7.71 0.02 . 1 . . . . . . . . 4796 1 376 . 1 1 58 58 SER HA H 1 4.63 0.02 . 1 . . . . . . . . 4796 1 377 . 1 1 58 58 SER C C 13 172.2 0.1 . 1 . . . . . . . . 4796 1 378 . 1 1 58 58 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 4796 1 379 . 1 1 58 58 SER CB C 13 64.9 0.1 . 1 . . . . . . . . 4796 1 380 . 1 1 58 58 SER N N 15 110.9 0.05 . 1 . . . . . . . . 4796 1 381 . 1 1 59 59 SER H H 1 8.43 0.02 . 1 . . . . . . . . 4796 1 382 . 1 1 59 59 SER HA H 1 5.37 0.02 . 1 . . . . . . . . 4796 1 383 . 1 1 59 59 SER HB2 H 1 3.73 0.02 . 2 . . . . . . . . 4796 1 384 . 1 1 59 59 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 4796 1 385 . 1 1 59 59 SER C C 13 172.6 0.1 . 1 . . . . . . . . 4796 1 386 . 1 1 59 59 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 4796 1 387 . 1 1 59 59 SER CB C 13 66.0 0.1 . 1 . . . . . . . . 4796 1 388 . 1 1 59 59 SER N N 15 114.6 0.05 . 1 . . . . . . . . 4796 1 389 . 1 1 60 60 GLU H H 1 8.86 0.02 . 1 . . . . . . . . 4796 1 390 . 1 1 60 60 GLU HA H 1 4.70 0.02 . 1 . . . . . . . . 4796 1 391 . 1 1 60 60 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4796 1 392 . 1 1 60 60 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4796 1 393 . 1 1 60 60 GLU C C 13 173.4 0.1 . 1 . . . . . . . . 4796 1 394 . 1 1 60 60 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 4796 1 395 . 1 1 60 60 GLU CB C 13 33.3 0.1 . 1 . . . . . . . . 4796 1 396 . 1 1 60 60 GLU CG C 13 35.6 0.1 . 1 . . . . . . . . 4796 1 397 . 1 1 60 60 GLU N N 15 122.0 0.05 . 1 . . . . . . . . 4796 1 398 . 1 1 61 61 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4796 1 399 . 1 1 61 61 VAL HA H 1 4.96 0.02 . 1 . . . . . . . . 4796 1 400 . 1 1 61 61 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 4796 1 401 . 1 1 61 61 VAL HG11 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 402 . 1 1 61 61 VAL HG12 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 403 . 1 1 61 61 VAL HG13 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 404 . 1 1 61 61 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 405 . 1 1 61 61 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 406 . 1 1 61 61 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 407 . 1 1 61 61 VAL C C 13 175.9 0.1 . 1 . . . . . . . . 4796 1 408 . 1 1 61 61 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . 4796 1 409 . 1 1 61 61 VAL CB C 13 33.5 0.1 . 1 . . . . . . . . 4796 1 410 . 1 1 61 61 VAL CG1 C 13 21.6 0.1 . 2 . . . . . . . . 4796 1 411 . 1 1 61 61 VAL CG2 C 13 22.6 0.1 . 2 . . . . . . . . 4796 1 412 . 1 1 61 61 VAL N N 15 122.8 0.05 . 1 . . . . . . . . 4796 1 413 . 1 1 62 62 ILE H H 1 9.08 0.02 . 1 . . . . . . . . 4796 1 414 . 1 1 62 62 ILE HA H 1 4.82 0.02 . 1 . . . . . . . . 4796 1 415 . 1 1 62 62 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4796 1 416 . 1 1 62 62 ILE HG12 H 1 1.23 0.02 . 2 . . . . . . . . 4796 1 417 . 1 1 62 62 ILE HG13 H 1 1.58 0.02 . 2 . . . . . . . . 4796 1 418 . 1 1 62 62 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 419 . 1 1 62 62 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 420 . 1 1 62 62 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 421 . 1 1 62 62 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4796 1 422 . 1 1 62 62 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4796 1 423 . 1 1 62 62 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4796 1 424 . 1 1 62 62 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 4796 1 425 . 1 1 62 62 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 426 . 1 1 62 62 ILE CB C 13 40.7 0.1 . 1 . . . . . . . . 4796 1 427 . 1 1 62 62 ILE CG1 C 13 26.8 0.1 . 1 . . . . . . . . 4796 1 428 . 1 1 62 62 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 4796 1 429 . 1 1 62 62 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 4796 1 430 . 1 1 62 62 ILE N N 15 123.3 0.05 . 1 . . . . . . . . 4796 1 431 . 1 1 63 63 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4796 1 432 . 1 1 63 63 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 4796 1 433 . 1 1 63 63 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4796 1 434 . 1 1 63 63 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4796 1 435 . 1 1 63 63 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4796 1 436 . 1 1 63 63 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 4796 1 437 . 1 1 63 63 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 4796 1 438 . 1 1 63 63 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 4796 1 439 . 1 1 63 63 GLU CB C 13 30.7 0.1 . 1 . . . . . . . . 4796 1 440 . 1 1 63 63 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 4796 1 441 . 1 1 63 63 GLU N N 15 124.1 0.05 . 1 . . . . . . . . 4796 1 442 . 1 1 64 64 ASN H H 1 7.78 0.02 . 1 . . . . . . . . 4796 1 443 . 1 1 64 64 ASN HA H 1 5.01 0.02 . 1 . . . . . . . . 4796 1 444 . 1 1 64 64 ASN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4796 1 445 . 1 1 64 64 ASN HB3 H 1 3.37 0.02 . 2 . . . . . . . . 4796 1 446 . 1 1 64 64 ASN HD21 H 1 6.67 0.02 . 2 . . . . . . . . 4796 1 447 . 1 1 64 64 ASN HD22 H 1 8.44 0.02 . 2 . . . . . . . . 4796 1 448 . 1 1 64 64 ASN CA C 13 49.5 0.1 . 1 . . . . . . . . 4796 1 449 . 1 1 64 64 ASN CB C 13 39.1 0.1 . 1 . . . . . . . . 4796 1 450 . 1 1 64 64 ASN N N 15 121.1 0.05 . 1 . . . . . . . . 4796 1 451 . 1 1 64 64 ASN ND2 N 15 112.6 0.05 . 1 . . . . . . . . 4796 1 452 . 1 1 65 65 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4796 1 453 . 1 1 65 65 PRO HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4796 1 454 . 1 1 65 65 PRO HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4796 1 455 . 1 1 65 65 PRO HG2 H 1 1.95 0.02 . 2 . . . . . . . . 4796 1 456 . 1 1 65 65 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 4796 1 457 . 1 1 65 65 PRO HD2 H 1 3.91 0.02 . 2 . . . . . . . . 4796 1 458 . 1 1 65 65 PRO HD3 H 1 4.01 0.02 . 2 . . . . . . . . 4796 1 459 . 1 1 65 65 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4796 1 460 . 1 1 65 65 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 4796 1 461 . 1 1 66 66 SER H H 1 7.66 0.02 . 1 . . . . . . . . 4796 1 462 . 1 1 66 66 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 4796 1 463 . 1 1 66 66 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4796 1 464 . 1 1 66 66 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4796 1 465 . 1 1 66 66 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 4796 1 466 . 1 1 66 66 SER CB C 13 63.1 0.1 . 1 . . . . . . . . 4796 1 467 . 1 1 66 66 SER N N 15 113.7 0.05 . 1 . . . . . . . . 4796 1 468 . 1 1 67 67 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 4796 1 469 . 1 1 67 67 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4796 1 470 . 1 1 67 67 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4796 1 471 . 1 1 67 67 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4796 1 472 . 1 1 67 67 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4796 1 473 . 1 1 67 67 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 4796 1 474 . 1 1 67 67 ALA CA C 13 54.2 0.1 . 1 . . . . . . . . 4796 1 475 . 1 1 67 67 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 4796 1 476 . 1 1 67 67 ALA N N 15 122.8 0.05 . 1 . . . . . . . . 4796 1 477 . 1 1 68 68 SER H H 1 7.78 0.02 . 1 . . . . . . . . 4796 1 478 . 1 1 68 68 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4796 1 479 . 1 1 68 68 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 4796 1 480 . 1 1 68 68 SER CB C 13 63.7 0.1 . 1 . . . . . . . . 4796 1 481 . 1 1 68 68 SER N N 15 111.3 0.05 . 1 . . . . . . . . 4796 1 482 . 1 1 69 69 ALA H H 1 7.81 0.02 . 1 . . . . . . . . 4796 1 483 . 1 1 69 69 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 4796 1 484 . 1 1 69 69 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 485 . 1 1 69 69 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 486 . 1 1 69 69 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 487 . 1 1 69 69 ALA C C 13 177.8 0.1 . 1 . . . . . . . . 4796 1 488 . 1 1 69 69 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 4796 1 489 . 1 1 69 69 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 4796 1 490 . 1 1 69 69 ALA N N 15 125.1 0.05 . 1 . . . . . . . . 4796 1 491 . 1 1 70 70 SER H H 1 8.46 0.02 . 1 . . . . . . . . 4796 1 492 . 1 1 70 70 SER CA C 13 59.0 0.1 . 1 . . . . . . . . 4796 1 493 . 1 1 70 70 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 4796 1 494 . 1 1 70 70 SER N N 15 115.8 0.05 . 1 . . . . . . . . 4796 1 495 . 1 1 71 71 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 4796 1 496 . 1 1 71 71 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 4796 1 497 . 1 1 71 71 GLY N N 15 110.4 0.05 . 1 . . . . . . . . 4796 1 498 . 1 1 72 72 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 4796 1 499 . 1 1 72 72 GLY C C 13 175.0 0.1 . 1 . . . . . . . . 4796 1 500 . 1 1 72 72 GLY CA C 13 45.9 0.1 . 1 . . . . . . . . 4796 1 501 . 1 1 72 72 GLY N N 15 109.2 0.05 . 1 . . . . . . . . 4796 1 502 . 1 1 73 73 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4796 1 503 . 1 1 73 73 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4796 1 504 . 1 1 73 73 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 505 . 1 1 73 73 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 506 . 1 1 73 73 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4796 1 507 . 1 1 73 73 ALA C C 13 179.5 0.1 . 1 . . . . . . . . 4796 1 508 . 1 1 73 73 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 4796 1 509 . 1 1 73 73 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 4796 1 510 . 1 1 73 73 ALA N N 15 123.7 0.05 . 1 . . . . . . . . 4796 1 511 . 1 1 74 74 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 4796 1 512 . 1 1 74 74 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 4796 1 513 . 1 1 74 74 GLY HA3 H 1 4.32 0.02 . 2 . . . . . . . . 4796 1 514 . 1 1 74 74 GLY C C 13 175.2 0.1 . 1 . . . . . . . . 4796 1 515 . 1 1 74 74 GLY CA C 13 47.9 0.1 . 1 . . . . . . . . 4796 1 516 . 1 1 74 74 GLY N N 15 108.4 0.05 . 1 . . . . . . . . 4796 1 517 . 1 1 75 75 ILE H H 1 7.94 0.02 . 1 . . . . . . . . 4796 1 518 . 1 1 75 75 ILE HA H 1 3.71 0.02 . 1 . . . . . . . . 4796 1 519 . 1 1 75 75 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 4796 1 520 . 1 1 75 75 ILE HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4796 1 521 . 1 1 75 75 ILE HG13 H 1 1.60 0.02 . 2 . . . . . . . . 4796 1 522 . 1 1 75 75 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 523 . 1 1 75 75 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 524 . 1 1 75 75 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4796 1 525 . 1 1 75 75 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 4796 1 526 . 1 1 75 75 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 4796 1 527 . 1 1 75 75 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 4796 1 528 . 1 1 75 75 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 4796 1 529 . 1 1 75 75 ILE CA C 13 65.4 0.1 . 1 . . . . . . . . 4796 1 530 . 1 1 75 75 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 4796 1 531 . 1 1 75 75 ILE CG1 C 13 27.3 0.1 . 2 . . . . . . . . 4796 1 532 . 1 1 75 75 ILE CG2 C 13 17.5 0.1 . 2 . . . . . . . . 4796 1 533 . 1 1 75 75 ILE CD1 C 13 13.0 0.1 . 1 . . . . . . . . 4796 1 534 . 1 1 75 75 ILE N N 15 121.2 0.05 . 1 . . . . . . . . 4796 1 535 . 1 1 76 76 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 4796 1 536 . 1 1 76 76 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 4796 1 537 . 1 1 76 76 ARG HB2 H 1 1.89 0.02 . 4 . . . . . . . . 4796 1 538 . 1 1 76 76 ARG HB3 H 1 1.74 0.02 . 4 . . . . . . . . 4796 1 539 . 1 1 76 76 ARG HG2 H 1 1.66 0.02 . 4 . . . . . . . . 4796 1 540 . 1 1 76 76 ARG HD2 H 1 3.19 0.02 . 2 . . . . . . . . 4796 1 541 . 1 1 76 76 ARG C C 13 179.1 0.1 . 1 . . . . . . . . 4796 1 542 . 1 1 76 76 ARG CA C 13 58.9 0.1 . 1 . . . . . . . . 4796 1 543 . 1 1 76 76 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 4796 1 544 . 1 1 76 76 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 4796 1 545 . 1 1 77 77 THR H H 1 8.16 0.02 . 1 . . . . . . . . 4796 1 546 . 1 1 77 77 THR HA H 1 3.57 0.02 . 1 . . . . . . . . 4796 1 547 . 1 1 77 77 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 4796 1 548 . 1 1 77 77 THR HG21 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 549 . 1 1 77 77 THR HG22 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 550 . 1 1 77 77 THR HG23 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 551 . 1 1 77 77 THR C C 13 175.5 0.1 . 1 . . . . . . . . 4796 1 552 . 1 1 77 77 THR CA C 13 67.3 0.1 . 1 . . . . . . . . 4796 1 553 . 1 1 77 77 THR CB C 13 68.0 0.1 . 1 . . . . . . . . 4796 1 554 . 1 1 77 77 THR CG2 C 13 22.6 0.1 . 1 . . . . . . . . 4796 1 555 . 1 1 77 77 THR N N 15 117.0 0.05 . 1 . . . . . . . . 4796 1 556 . 1 1 78 78 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 4796 1 557 . 1 1 78 78 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 4796 1 558 . 1 1 78 78 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4796 1 559 . 1 1 78 78 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4796 1 560 . 1 1 78 78 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4796 1 561 . 1 1 78 78 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 4796 1 562 . 1 1 78 78 ALA CA C 13 56.1 0.1 . 1 . . . . . . . . 4796 1 563 . 1 1 78 78 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 4796 1 564 . 1 1 78 78 ALA N N 15 122.1 0.05 . 1 . . . . . . . . 4796 1 565 . 1 1 79 79 GLN H H 1 7.85 0.02 . 1 . . . . . . . . 4796 1 566 . 1 1 79 79 GLN HA H 1 3.85 0.02 . 1 . . . . . . . . 4796 1 567 . 1 1 79 79 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4796 1 568 . 1 1 79 79 GLN HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4796 1 569 . 1 1 79 79 GLN HG3 H 1 2.53 0.02 . 2 . . . . . . . . 4796 1 570 . 1 1 79 79 GLN C C 13 178.4 0.1 . 1 . . . . . . . . 4796 1 571 . 1 1 79 79 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 4796 1 572 . 1 1 79 79 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 4796 1 573 . 1 1 79 79 GLN CG C 13 33.9 0.1 . 1 . . . . . . . . 4796 1 574 . 1 1 79 79 GLN N N 15 115.3 0.05 . 1 . . . . . . . . 4796 1 575 . 1 1 80 80 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 4796 1 576 . 1 1 80 80 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 4796 1 577 . 1 1 80 80 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 4796 1 578 . 1 1 80 80 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 4796 1 579 . 1 1 80 80 ILE HG13 H 1 1.71 0.02 . 2 . . . . . . . . 4796 1 580 . 1 1 80 80 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 581 . 1 1 80 80 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 582 . 1 1 80 80 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4796 1 583 . 1 1 80 80 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 584 . 1 1 80 80 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 585 . 1 1 80 80 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4796 1 586 . 1 1 80 80 ILE C C 13 179.2 0.1 . 1 . . . . . . . . 4796 1 587 . 1 1 80 80 ILE CA C 13 65.2 0.1 . 1 . . . . . . . . 4796 1 588 . 1 1 80 80 ILE CB C 13 37.9 0.1 . 1 . . . . . . . . 4796 1 589 . 1 1 80 80 ILE CG1 C 13 28.9 0.1 . 1 . . . . . . . . 4796 1 590 . 1 1 80 80 ILE CG2 C 13 17.1 0.1 . 1 . . . . . . . . 4796 1 591 . 1 1 80 80 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . 4796 1 592 . 1 1 80 80 ILE N N 15 120.1 0.05 . 1 . . . . . . . . 4796 1 593 . 1 1 81 81 ILE H H 1 7.82 0.02 . 1 . . . . . . . . 4796 1 594 . 1 1 81 81 ILE HA H 1 3.34 0.02 . 1 . . . . . . . . 4796 1 595 . 1 1 81 81 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4796 1 596 . 1 1 81 81 ILE HG12 H 1 0.85 0.02 . 2 . . . . . . . . 4796 1 597 . 1 1 81 81 ILE HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4796 1 598 . 1 1 81 81 ILE HG21 H 1 0.51 0.02 . 1 . . . . . . . . 4796 1 599 . 1 1 81 81 ILE HG22 H 1 0.51 0.02 . 1 . . . . . . . . 4796 1 600 . 1 1 81 81 ILE HG23 H 1 0.51 0.02 . 1 . . . . . . . . 4796 1 601 . 1 1 81 81 ILE HD11 H 1 0.02 0.02 . 1 . . . . . . . . 4796 1 602 . 1 1 81 81 ILE HD12 H 1 0.02 0.02 . 1 . . . . . . . . 4796 1 603 . 1 1 81 81 ILE HD13 H 1 0.02 0.02 . 1 . . . . . . . . 4796 1 604 . 1 1 81 81 ILE C C 13 178.3 0.1 . 1 . . . . . . . . 4796 1 605 . 1 1 81 81 ILE CA C 13 64.9 0.1 . 1 . . . . . . . . 4796 1 606 . 1 1 81 81 ILE CB C 13 36.6 0.1 . 1 . . . . . . . . 4796 1 607 . 1 1 81 81 ILE CG1 C 13 28.2 0.1 . 1 . . . . . . . . 4796 1 608 . 1 1 81 81 ILE CG2 C 13 17.9 0.1 . 1 . . . . . . . . 4796 1 609 . 1 1 81 81 ILE CD1 C 13 12.0 0.1 . 1 . . . . . . . . 4796 1 610 . 1 1 81 81 ILE N N 15 120.4 0.05 . 1 . . . . . . . . 4796 1 611 . 1 1 82 82 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4796 1 612 . 1 1 82 82 ALA HA H 1 3.95 0.02 . 1 . . . . . . . . 4796 1 613 . 1 1 82 82 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4796 1 614 . 1 1 82 82 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4796 1 615 . 1 1 82 82 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4796 1 616 . 1 1 82 82 ALA C C 13 181.4 0.1 . 1 . . . . . . . . 4796 1 617 . 1 1 82 82 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 4796 1 618 . 1 1 82 82 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 4796 1 619 . 1 1 82 82 ALA N N 15 123.3 0.05 . 1 . . . . . . . . 4796 1 620 . 1 1 83 83 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 4796 1 621 . 1 1 83 83 ASN HA H 1 4.56 0.02 . 1 . . . . . . . . 4796 1 622 . 1 1 83 83 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4796 1 623 . 1 1 83 83 ASN HB3 H 1 2.97 0.02 . 2 . . . . . . . . 4796 1 624 . 1 1 83 83 ASN HD21 H 1 6.92 0.02 . 2 . . . . . . . . 4796 1 625 . 1 1 83 83 ASN HD22 H 1 7.52 0.02 . 2 . . . . . . . . 4796 1 626 . 1 1 83 83 ASN C C 13 176.2 0.1 . 1 . . . . . . . . 4796 1 627 . 1 1 83 83 ASN CA C 13 55.0 0.1 . 1 . . . . . . . . 4796 1 628 . 1 1 83 83 ASN CB C 13 37.9 0.1 . 1 . . . . . . . . 4796 1 629 . 1 1 83 83 ASN N N 15 117.7 0.05 . 1 . . . . . . . . 4796 1 630 . 1 1 83 83 ASN ND2 N 15 110.9 0.05 . 1 . . . . . . . . 4796 1 631 . 1 1 84 84 ASN H H 1 7.54 0.02 . 1 . . . . . . . . 4796 1 632 . 1 1 84 84 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4796 1 633 . 1 1 84 84 ASN HB2 H 1 2.61 0.02 . 2 . . . . . . . . 4796 1 634 . 1 1 84 84 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4796 1 635 . 1 1 84 84 ASN HD21 H 1 7.24 0.02 . 2 . . . . . . . . 4796 1 636 . 1 1 84 84 ASN HD22 H 1 7.48 0.02 . 2 . . . . . . . . 4796 1 637 . 1 1 84 84 ASN C C 13 174.6 0.1 . 1 . . . . . . . . 4796 1 638 . 1 1 84 84 ASN CA C 13 54.6 0.1 . 1 . . . . . . . . 4796 1 639 . 1 1 84 84 ASN CB C 13 40.6 0.1 . 1 . . . . . . . . 4796 1 640 . 1 1 84 84 ASN N N 15 116.9 0.05 . 1 . . . . . . . . 4796 1 641 . 1 1 84 84 ASN ND2 N 15 113.6 0.05 . 1 . . . . . . . . 4796 1 642 . 1 1 85 85 GLY H H 1 8.03 0.02 . 1 . . . . . . . . 4796 1 643 . 1 1 85 85 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 4796 1 644 . 1 1 85 85 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4796 1 645 . 1 1 85 85 GLY CA C 13 46.7 0.1 . 1 . . . . . . . . 4796 1 646 . 1 1 85 85 GLY N N 15 106.8 0.05 . 1 . . . . . . . . 4796 1 647 . 1 1 86 86 VAL H H 1 6.56 0.02 . 1 . . . . . . . . 4796 1 648 . 1 1 86 86 VAL HA H 1 3.66 0.02 . 1 . . . . . . . . 4796 1 649 . 1 1 86 86 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 4796 1 650 . 1 1 86 86 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 4796 1 651 . 1 1 86 86 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 4796 1 652 . 1 1 86 86 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4796 1 653 . 1 1 86 86 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 654 . 1 1 86 86 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 655 . 1 1 86 86 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 656 . 1 1 86 86 VAL C C 13 175.0 0.1 . 1 . . . . . . . . 4796 1 657 . 1 1 86 86 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 4796 1 658 . 1 1 86 86 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . 4796 1 659 . 1 1 86 86 VAL CG1 C 13 22.3 0.1 . 2 . . . . . . . . 4796 1 660 . 1 1 86 86 VAL CG2 C 13 23.6 0.1 . 2 . . . . . . . . 4796 1 661 . 1 1 86 86 VAL N N 15 115.8 0.05 . 1 . . . . . . . . 4796 1 662 . 1 1 87 87 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 4796 1 663 . 1 1 87 87 LYS HA H 1 4.69 0.02 . 1 . . . . . . . . 4796 1 664 . 1 1 87 87 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4796 1 665 . 1 1 87 87 LYS HB3 H 1 2.15 0.02 . 2 . . . . . . . . 4796 1 666 . 1 1 87 87 LYS HG2 H 1 1.59 0.02 . 4 . . . . . . . . 4796 1 667 . 1 1 87 87 LYS HG3 H 1 1.75 0.02 . 4 . . . . . . . . 4796 1 668 . 1 1 87 87 LYS HE2 H 1 3.12 0.02 . 2 . . . . . . . . 4796 1 669 . 1 1 87 87 LYS C C 13 176.1 0.1 . 1 . . . . . . . . 4796 1 670 . 1 1 87 87 LYS CA C 13 55.4 0.1 . 1 . . . . . . . . 4796 1 671 . 1 1 87 87 LYS CB C 13 34.7 0.1 . 1 . . . . . . . . 4796 1 672 . 1 1 87 87 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 4796 1 673 . 1 1 87 87 LYS CD C 13 28.5 0.1 . 1 . . . . . . . . 4796 1 674 . 1 1 87 87 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 4796 1 675 . 1 1 87 87 LYS N N 15 120.9 0.05 . 1 . . . . . . . . 4796 1 676 . 1 1 88 88 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 4796 1 677 . 1 1 88 88 ALA HA H 1 5.58 0.02 . 1 . . . . . . . . 4796 1 678 . 1 1 88 88 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4796 1 679 . 1 1 88 88 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4796 1 680 . 1 1 88 88 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4796 1 681 . 1 1 88 88 ALA C C 13 174.3 0.1 . 1 . . . . . . . . 4796 1 682 . 1 1 88 88 ALA CA C 13 50.9 0.1 . 1 . . . . . . . . 4796 1 683 . 1 1 88 88 ALA CB C 13 22.4 0.1 . 1 . . . . . . . . 4796 1 684 . 1 1 88 88 ALA N N 15 121.7 0.05 . 1 . . . . . . . . 4796 1 685 . 1 1 89 89 VAL H H 1 9.21 0.02 . 1 . . . . . . . . 4796 1 686 . 1 1 89 89 VAL HA H 1 5.34 0.02 . 1 . . . . . . . . 4796 1 687 . 1 1 89 89 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4796 1 688 . 1 1 89 89 VAL HG11 H 1 1.05 0.02 . 1 . . . . . . . . 4796 1 689 . 1 1 89 89 VAL HG12 H 1 1.05 0.02 . 1 . . . . . . . . 4796 1 690 . 1 1 89 89 VAL HG13 H 1 1.05 0.02 . 1 . . . . . . . . 4796 1 691 . 1 1 89 89 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4796 1 692 . 1 1 89 89 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4796 1 693 . 1 1 89 89 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4796 1 694 . 1 1 89 89 VAL C C 13 173.5 0.1 . 1 . . . . . . . . 4796 1 695 . 1 1 89 89 VAL CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 696 . 1 1 89 89 VAL CB C 13 35.5 0.1 . 1 . . . . . . . . 4796 1 697 . 1 1 89 89 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 4796 1 698 . 1 1 89 89 VAL CG2 C 13 23.5 0.1 . 1 . . . . . . . . 4796 1 699 . 1 1 89 89 VAL N N 15 120.9 0.05 . 1 . . . . . . . . 4796 1 700 . 1 1 90 90 ILE H H 1 9.13 0.02 . 1 . . . . . . . . 4796 1 701 . 1 1 90 90 ILE HA H 1 5.05 0.02 . 1 . . . . . . . . 4796 1 702 . 1 1 90 90 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 4796 1 703 . 1 1 90 90 ILE HG12 H 1 0.73 0.02 . 2 . . . . . . . . 4796 1 704 . 1 1 90 90 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 4796 1 705 . 1 1 90 90 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 706 . 1 1 90 90 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 707 . 1 1 90 90 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 708 . 1 1 90 90 ILE HD11 H 1 0.44 0.02 . 1 . . . . . . . . 4796 1 709 . 1 1 90 90 ILE HD12 H 1 0.44 0.02 . 1 . . . . . . . . 4796 1 710 . 1 1 90 90 ILE HD13 H 1 0.44 0.02 . 1 . . . . . . . . 4796 1 711 . 1 1 90 90 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 4796 1 712 . 1 1 90 90 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 4796 1 713 . 1 1 90 90 ILE CB C 13 39.4 0.1 . 1 . . . . . . . . 4796 1 714 . 1 1 90 90 ILE CG1 C 13 26.8 0.1 . 1 . . . . . . . . 4796 1 715 . 1 1 90 90 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 4796 1 716 . 1 1 90 90 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 4796 1 717 . 1 1 90 90 ILE N N 15 127.2 0.05 . 1 . . . . . . . . 4796 1 718 . 1 1 91 91 ALA H H 1 8.86 0.02 . 1 . . . . . . . . 4796 1 719 . 1 1 91 91 ALA HA H 1 4.82 0.02 . 1 . . . . . . . . 4796 1 720 . 1 1 91 91 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 4796 1 721 . 1 1 91 91 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 4796 1 722 . 1 1 91 91 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 4796 1 723 . 1 1 91 91 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 4796 1 724 . 1 1 91 91 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 4796 1 725 . 1 1 91 91 ALA CB C 13 22.5 0.1 . 1 . . . . . . . . 4796 1 726 . 1 1 91 91 ALA N N 15 127.1 0.05 . 1 . . . . . . . . 4796 1 727 . 1 1 92 92 SER H H 1 8.87 0.02 . 1 . . . . . . . . 4796 1 728 . 1 1 92 92 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 4796 1 729 . 1 1 92 92 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 4796 1 730 . 1 1 92 92 SER C C 13 173.6 0.1 . 1 . . . . . . . . 4796 1 731 . 1 1 92 92 SER CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 732 . 1 1 92 92 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 4796 1 733 . 1 1 92 92 SER N N 15 115.0 0.05 . 1 . . . . . . . . 4796 1 734 . 1 1 93 93 SER H H 1 8.27 0.02 . 1 . . . . . . . . 4796 1 735 . 1 1 93 93 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4796 1 736 . 1 1 93 93 SER CA C 13 57.0 0.1 . 1 . . . . . . . . 4796 1 737 . 1 1 93 93 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 4796 1 738 . 1 1 93 93 SER N N 15 111.5 0.05 . 1 . . . . . . . . 4796 1 739 . 1 1 94 94 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4796 1 740 . 1 1 94 94 PRO HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4796 1 741 . 1 1 94 94 PRO HB3 H 1 2.23 0.02 . 2 . . . . . . . . 4796 1 742 . 1 1 94 94 PRO HG2 H 1 1.17 0.02 . 2 . . . . . . . . 4796 1 743 . 1 1 94 94 PRO HG3 H 1 1.63 0.02 . 2 . . . . . . . . 4796 1 744 . 1 1 94 94 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 4796 1 745 . 1 1 94 94 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4796 1 746 . 1 1 94 94 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 4796 1 747 . 1 1 94 94 PRO CG C 13 27.3 0.1 . 1 . . . . . . . . 4796 1 748 . 1 1 94 94 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 4796 1 749 . 1 1 95 95 GLY H H 1 8.66 0.02 . 1 . . . . . . . . 4796 1 750 . 1 1 95 95 GLY HA2 H 1 4.23 0.02 . 2 . . . . . . . . 4796 1 751 . 1 1 95 95 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 4796 1 752 . 1 1 95 95 GLY N N 15 110.0 0.05 . 1 . . . . . . . . 4796 1 753 . 1 1 96 96 PRO HA H 1 4.23 0.02 . 1 . . . . . . . . 4796 1 754 . 1 1 96 96 PRO HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4796 1 755 . 1 1 96 96 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4796 1 756 . 1 1 96 96 PRO CA C 13 65.7 0.1 . 1 . . . . . . . . 4796 1 757 . 1 1 96 96 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 4796 1 758 . 1 1 97 97 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 4796 1 759 . 1 1 97 97 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 4796 1 760 . 1 1 97 97 ASN HD21 H 1 7.12 0.02 . 2 . . . . . . . . 4796 1 761 . 1 1 97 97 ASN HD22 H 1 7.77 0.02 . 2 . . . . . . . . 4796 1 762 . 1 1 97 97 ASN C C 13 177.3 0.1 . 1 . . . . . . . . 4796 1 763 . 1 1 97 97 ASN CA C 13 56.3 0.1 . 1 . . . . . . . . 4796 1 764 . 1 1 97 97 ASN CB C 13 38.0 0.1 . 1 . . . . . . . . 4796 1 765 . 1 1 97 97 ASN N N 15 116.5 0.05 . 1 . . . . . . . . 4796 1 766 . 1 1 97 97 ASN ND2 N 15 113.2 0.05 . 1 . . . . . . . . 4796 1 767 . 1 1 98 98 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4796 1 768 . 1 1 98 98 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 4796 1 769 . 1 1 98 98 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4796 1 770 . 1 1 98 98 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4796 1 771 . 1 1 98 98 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4796 1 772 . 1 1 98 98 ALA C C 13 178.6 0.1 . 1 . . . . . . . . 4796 1 773 . 1 1 98 98 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 4796 1 774 . 1 1 98 98 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 4796 1 775 . 1 1 98 98 ALA N N 15 123.0 0.05 . 1 . . . . . . . . 4796 1 776 . 1 1 99 99 PHE H H 1 8.45 0.02 . 1 . . . . . . . . 4796 1 777 . 1 1 99 99 PHE HA H 1 3.61 0.02 . 1 . . . . . . . . 4796 1 778 . 1 1 99 99 PHE HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4796 1 779 . 1 1 99 99 PHE HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4796 1 780 . 1 1 99 99 PHE HD1 H 1 6.93 0.02 . 2 . . . . . . . . 4796 1 781 . 1 1 99 99 PHE HE1 H 1 7.14 0.02 . 2 . . . . . . . . 4796 1 782 . 1 1 99 99 PHE HZ H 1 6.77 0.02 . 1 . . . . . . . . 4796 1 783 . 1 1 99 99 PHE C C 13 176.7 0.1 . 1 . . . . . . . . 4796 1 784 . 1 1 99 99 PHE CA C 13 62.1 0.1 . 1 . . . . . . . . 4796 1 785 . 1 1 99 99 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . 4796 1 786 . 1 1 99 99 PHE CD1 C 13 131.5 0.1 . 2 . . . . . . . . 4796 1 787 . 1 1 99 99 PHE CE1 C 13 131.5 0.1 . 2 . . . . . . . . 4796 1 788 . 1 1 99 99 PHE CZ C 13 128.6 0.1 . 1 . . . . . . . . 4796 1 789 . 1 1 99 99 PHE N N 15 116.3 0.05 . 1 . . . . . . . . 4796 1 790 . 1 1 100 100 GLU H H 1 7.89 0.02 . 1 . . . . . . . . 4796 1 791 . 1 1 100 100 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4796 1 792 . 1 1 100 100 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4796 1 793 . 1 1 100 100 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4796 1 794 . 1 1 100 100 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 4796 1 795 . 1 1 100 100 GLU HG3 H 1 2.46 0.02 . 2 . . . . . . . . 4796 1 796 . 1 1 100 100 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 4796 1 797 . 1 1 100 100 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 4796 1 798 . 1 1 100 100 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 4796 1 799 . 1 1 100 100 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 4796 1 800 . 1 1 100 100 GLU N N 15 117.2 0.05 . 1 . . . . . . . . 4796 1 801 . 1 1 101 101 VAL H H 1 7.28 0.02 . 1 . . . . . . . . 4796 1 802 . 1 1 101 101 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 4796 1 803 . 1 1 101 101 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4796 1 804 . 1 1 101 101 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 805 . 1 1 101 101 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 806 . 1 1 101 101 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 4796 1 807 . 1 1 101 101 VAL HG21 H 1 1.11 0.02 . 1 . . . . . . . . 4796 1 808 . 1 1 101 101 VAL HG22 H 1 1.11 0.02 . 1 . . . . . . . . 4796 1 809 . 1 1 101 101 VAL HG23 H 1 1.11 0.02 . 1 . . . . . . . . 4796 1 810 . 1 1 101 101 VAL C C 13 177.8 0.1 . 1 . . . . . . . . 4796 1 811 . 1 1 101 101 VAL CA C 13 65.9 0.1 . 1 . . . . . . . . 4796 1 812 . 1 1 101 101 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . 4796 1 813 . 1 1 101 101 VAL CG1 C 13 21.3 0.1 . 1 . . . . . . . . 4796 1 814 . 1 1 101 101 VAL CG2 C 13 22.8 0.1 . 1 . . . . . . . . 4796 1 815 . 1 1 101 101 VAL N N 15 117.9 0.05 . 1 . . . . . . . . 4796 1 816 . 1 1 102 102 LEU H H 1 7.62 0.02 . 1 . . . . . . . . 4796 1 817 . 1 1 102 102 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 4796 1 818 . 1 1 102 102 LEU HD11 H 1 0.45 0.02 . 2 . . . . . . . . 4796 1 819 . 1 1 102 102 LEU HD12 H 1 0.45 0.02 . 2 . . . . . . . . 4796 1 820 . 1 1 102 102 LEU HD13 H 1 0.45 0.02 . 2 . . . . . . . . 4796 1 821 . 1 1 102 102 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4796 1 822 . 1 1 102 102 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4796 1 823 . 1 1 102 102 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4796 1 824 . 1 1 102 102 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 4796 1 825 . 1 1 102 102 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4796 1 826 . 1 1 102 102 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 4796 1 827 . 1 1 102 102 LEU CD1 C 13 25.8 0.1 . 2 . . . . . . . . 4796 1 828 . 1 1 102 102 LEU CD2 C 13 23.0 0.1 . 2 . . . . . . . . 4796 1 829 . 1 1 102 102 LEU N N 15 117.2 0.05 . 1 . . . . . . . . 4796 1 830 . 1 1 103 103 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 4796 1 831 . 1 1 103 103 ASN HA H 1 4.19 0.02 . 1 . . . . . . . . 4796 1 832 . 1 1 103 103 ASN HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4796 1 833 . 1 1 103 103 ASN HB3 H 1 2.39 0.02 . 2 . . . . . . . . 4796 1 834 . 1 1 103 103 ASN HD21 H 1 6.77 0.02 . 2 . . . . . . . . 4796 1 835 . 1 1 103 103 ASN HD22 H 1 7.80 0.02 . 2 . . . . . . . . 4796 1 836 . 1 1 103 103 ASN C C 13 179.4 0.1 . 1 . . . . . . . . 4796 1 837 . 1 1 103 103 ASN CA C 13 57.1 0.1 . 1 . . . . . . . . 4796 1 838 . 1 1 103 103 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 4796 1 839 . 1 1 103 103 ASN N N 15 117.3 0.05 . 1 . . . . . . . . 4796 1 840 . 1 1 103 103 ASN ND2 N 15 113.2 0.05 . 1 . . . . . . . . 4796 1 841 . 1 1 104 104 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 4796 1 842 . 1 1 104 104 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4796 1 843 . 1 1 104 104 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4796 1 844 . 1 1 104 104 GLU HB3 H 1 2.20 0.02 . 4 . . . . . . . . 4796 1 845 . 1 1 104 104 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 4796 1 846 . 1 1 104 104 GLU C C 13 178.0 0.1 . 1 . . . . . . . . 4796 1 847 . 1 1 104 104 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 848 . 1 1 104 104 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 4796 1 849 . 1 1 104 104 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 4796 1 850 . 1 1 104 104 GLU N N 15 120.7 0.05 . 1 . . . . . . . . 4796 1 851 . 1 1 105 105 LEU H H 1 7.30 0.02 . 1 . . . . . . . . 4796 1 852 . 1 1 105 105 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4796 1 853 . 1 1 105 105 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4796 1 854 . 1 1 105 105 LEU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4796 1 855 . 1 1 105 105 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4796 1 856 . 1 1 105 105 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 4796 1 857 . 1 1 105 105 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 4796 1 858 . 1 1 105 105 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 4796 1 859 . 1 1 105 105 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 4796 1 860 . 1 1 105 105 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 4796 1 861 . 1 1 105 105 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 4796 1 862 . 1 1 105 105 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 4796 1 863 . 1 1 105 105 LEU CA C 13 54.6 0.1 . 1 . . . . . . . . 4796 1 864 . 1 1 105 105 LEU CB C 13 42.7 0.1 . 1 . . . . . . . . 4796 1 865 . 1 1 105 105 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 4796 1 866 . 1 1 105 105 LEU CD1 C 13 26.0 0.1 . 2 . . . . . . . . 4796 1 867 . 1 1 105 105 LEU CD2 C 13 22.0 0.1 . 2 . . . . . . . . 4796 1 868 . 1 1 105 105 LEU N N 15 117.1 0.05 . 1 . . . . . . . . 4796 1 869 . 1 1 106 106 GLY H H 1 7.82 0.02 . 1 . . . . . . . . 4796 1 870 . 1 1 106 106 GLY HA2 H 1 3.80 0.02 . 2 . . . . . . . . 4796 1 871 . 1 1 106 106 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 4796 1 872 . 1 1 106 106 GLY CA C 13 46.1 0.1 . 1 . . . . . . . . 4796 1 873 . 1 1 106 106 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 4796 1 874 . 1 1 107 107 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 4796 1 875 . 1 1 107 107 ILE HA H 1 3.91 0.02 . 1 . . . . . . . . 4796 1 876 . 1 1 107 107 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 4796 1 877 . 1 1 107 107 ILE HG12 H 1 1.11 0.02 . 2 . . . . . . . . 4796 1 878 . 1 1 107 107 ILE HG13 H 1 1.51 0.02 . 2 . . . . . . . . 4796 1 879 . 1 1 107 107 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 4796 1 880 . 1 1 107 107 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 4796 1 881 . 1 1 107 107 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 4796 1 882 . 1 1 107 107 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 883 . 1 1 107 107 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 884 . 1 1 107 107 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 4796 1 885 . 1 1 107 107 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 4796 1 886 . 1 1 107 107 ILE CA C 13 61.4 0.1 . 1 . . . . . . . . 4796 1 887 . 1 1 107 107 ILE CB C 13 38.4 0.1 . 1 . . . . . . . . 4796 1 888 . 1 1 107 107 ILE CG1 C 13 27.7 0.1 . 2 . . . . . . . . 4796 1 889 . 1 1 107 107 ILE CG2 C 13 17.5 0.1 . 2 . . . . . . . . 4796 1 890 . 1 1 107 107 ILE CD1 C 13 14.5 0.1 . 1 . . . . . . . . 4796 1 891 . 1 1 107 107 ILE N N 15 122.5 0.05 . 1 . . . . . . . . 4796 1 892 . 1 1 108 108 LYS H H 1 7.34 0.02 . 1 . . . . . . . . 4796 1 893 . 1 1 108 108 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4796 1 894 . 1 1 108 108 LYS HG2 H 1 1.64 0.02 . 4 . . . . . . . . 4796 1 895 . 1 1 108 108 LYS HE2 H 1 3.02 0.02 . 2 . . . . . . . . 4796 1 896 . 1 1 108 108 LYS C C 13 174.7 0.1 . 1 . . . . . . . . 4796 1 897 . 1 1 108 108 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 4796 1 898 . 1 1 108 108 LYS CB C 13 35.7 0.1 . 1 . . . . . . . . 4796 1 899 . 1 1 108 108 LYS CG C 13 29.4 0.1 . 1 . . . . . . . . 4796 1 900 . 1 1 108 108 LYS CD C 13 26.1 0.1 . 1 . . . . . . . . 4796 1 901 . 1 1 108 108 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 4796 1 902 . 1 1 108 108 LYS N N 15 126.8 0.05 . 1 . . . . . . . . 4796 1 903 . 1 1 109 109 ILE H H 1 8.70 0.02 . 1 . . . . . . . . 4796 1 904 . 1 1 109 109 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . 4796 1 905 . 1 1 109 109 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 4796 1 906 . 1 1 109 109 ILE HG12 H 1 0.63 0.02 . 2 . . . . . . . . 4796 1 907 . 1 1 109 109 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 4796 1 908 . 1 1 109 109 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 4796 1 909 . 1 1 109 109 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 4796 1 910 . 1 1 109 109 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 4796 1 911 . 1 1 109 109 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 912 . 1 1 109 109 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 913 . 1 1 109 109 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 4796 1 914 . 1 1 109 109 ILE C C 13 173.5 0.1 . 1 . . . . . . . . 4796 1 915 . 1 1 109 109 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 4796 1 916 . 1 1 109 109 ILE CB C 13 40.2 0.1 . 1 . . . . . . . . 4796 1 917 . 1 1 109 109 ILE CG1 C 13 28.2 0.1 . 1 . . . . . . . . 4796 1 918 . 1 1 109 109 ILE CG2 C 13 18.7 0.1 . 1 . . . . . . . . 4796 1 919 . 1 1 109 109 ILE CD1 C 13 15.8 0.1 . 1 . . . . . . . . 4796 1 920 . 1 1 109 109 ILE N N 15 121.4 0.05 . 1 . . . . . . . . 4796 1 921 . 1 1 110 110 TYR H H 1 9.39 0.02 . 1 . . . . . . . . 4796 1 922 . 1 1 110 110 TYR HA H 1 5.05 0.02 . 1 . . . . . . . . 4796 1 923 . 1 1 110 110 TYR HB2 H 1 2.66 0.02 . 1 . . . . . . . . 4796 1 924 . 1 1 110 110 TYR HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4796 1 925 . 1 1 110 110 TYR HD1 H 1 6.88 0.02 . 2 . . . . . . . . 4796 1 926 . 1 1 110 110 TYR HE1 H 1 6.80 0.02 . 2 . . . . . . . . 4796 1 927 . 1 1 110 110 TYR C C 13 174.4 0.1 . 1 . . . . . . . . 4796 1 928 . 1 1 110 110 TYR CA C 13 56.8 0.1 . 1 . . . . . . . . 4796 1 929 . 1 1 110 110 TYR CB C 13 41.8 0.1 . 1 . . . . . . . . 4796 1 930 . 1 1 110 110 TYR CD1 C 13 132.9 0.1 . 2 . . . . . . . . 4796 1 931 . 1 1 110 110 TYR CE1 C 13 118.5 0.1 . 2 . . . . . . . . 4796 1 932 . 1 1 110 110 TYR N N 15 125.4 0.05 . 1 . . . . . . . . 4796 1 933 . 1 1 111 111 ARG H H 1 8.64 0.02 . 1 . . . . . . . . 4796 1 934 . 1 1 111 111 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 4796 1 935 . 1 1 111 111 ARG HB2 H 1 1.66 0.02 . 4 . . . . . . . . 4796 1 936 . 1 1 111 111 ARG HB3 H 1 1.99 0.02 . 4 . . . . . . . . 4796 1 937 . 1 1 111 111 ARG C C 13 175.8 0.1 . 1 . . . . . . . . 4796 1 938 . 1 1 111 111 ARG CA C 13 56.0 0.1 . 1 . . . . . . . . 4796 1 939 . 1 1 111 111 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . 4796 1 940 . 1 1 111 111 ARG CG C 13 27.5 0.1 . 1 . . . . . . . . 4796 1 941 . 1 1 111 111 ARG N N 15 121.6 0.05 . 1 . . . . . . . . 4796 1 942 . 1 1 112 112 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 4796 1 943 . 1 1 112 112 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4796 1 944 . 1 1 112 112 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 945 . 1 1 112 112 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 946 . 1 1 112 112 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 947 . 1 1 112 112 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 4796 1 948 . 1 1 112 112 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 4796 1 949 . 1 1 112 112 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 4796 1 950 . 1 1 112 112 ALA N N 15 129.9 0.05 . 1 . . . . . . . . 4796 1 951 . 1 1 113 113 THR H H 1 7.98 0.02 . 1 . . . . . . . . 4796 1 952 . 1 1 113 113 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 4796 1 953 . 1 1 113 113 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 4796 1 954 . 1 1 113 113 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 955 . 1 1 113 113 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 956 . 1 1 113 113 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 4796 1 957 . 1 1 113 113 THR CA C 13 61.3 0.1 . 1 . . . . . . . . 4796 1 958 . 1 1 113 113 THR CB C 13 70.2 0.1 . 1 . . . . . . . . 4796 1 959 . 1 1 113 113 THR CG2 C 13 21.6 0.1 . 1 . . . . . . . . 4796 1 960 . 1 1 113 113 THR N N 15 112.9 0.05 . 1 . . . . . . . . 4796 1 961 . 1 1 114 114 GLY H H 1 8.55 0.02 . 1 . . . . . . . . 4796 1 962 . 1 1 114 114 GLY HA2 H 1 3.31 0.02 . 2 . . . . . . . . 4796 1 963 . 1 1 114 114 GLY HA3 H 1 4.35 0.02 . 2 . . . . . . . . 4796 1 964 . 1 1 114 114 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4796 1 965 . 1 1 114 114 GLY N N 15 109.9 0.05 . 1 . . . . . . . . 4796 1 966 . 1 1 115 115 THR H H 1 8.70 0.02 . 1 . . . . . . . . 4796 1 967 . 1 1 115 115 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4796 1 968 . 1 1 115 115 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 4796 1 969 . 1 1 115 115 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 4796 1 970 . 1 1 115 115 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 4796 1 971 . 1 1 115 115 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 4796 1 972 . 1 1 115 115 THR C C 13 174.4 0.1 . 1 . . . . . . . . 4796 1 973 . 1 1 115 115 THR CA C 13 63.7 0.1 . 1 . . . . . . . . 4796 1 974 . 1 1 115 115 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 4796 1 975 . 1 1 115 115 THR CG2 C 13 21.3 0.1 . 1 . . . . . . . . 4796 1 976 . 1 1 115 115 THR N N 15 118.2 0.05 . 1 . . . . . . . . 4796 1 977 . 1 1 116 116 SER H H 1 7.98 0.02 . 1 . . . . . . . . 4796 1 978 . 1 1 116 116 SER HA H 1 5.12 0.02 . 1 . . . . . . . . 4796 1 979 . 1 1 116 116 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 4796 1 980 . 1 1 116 116 SER HB3 H 1 4.14 0.02 . 2 . . . . . . . . 4796 1 981 . 1 1 116 116 SER C C 13 177.2 0.1 . 1 . . . . . . . . 4796 1 982 . 1 1 116 116 SER CA C 13 56.6 0.1 . 1 . . . . . . . . 4796 1 983 . 1 1 116 116 SER CB C 13 67.0 0.1 . 1 . . . . . . . . 4796 1 984 . 1 1 116 116 SER N N 15 114.4 0.05 . 1 . . . . . . . . 4796 1 985 . 1 1 117 117 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 4796 1 986 . 1 1 117 117 VAL HA H 1 3.42 0.02 . 1 . . . . . . . . 4796 1 987 . 1 1 117 117 VAL HB H 1 2.50 0.02 . 1 . . . . . . . . 4796 1 988 . 1 1 117 117 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 989 . 1 1 117 117 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 990 . 1 1 117 117 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 4796 1 991 . 1 1 117 117 VAL HG21 H 1 1.00 0.02 . 2 . . . . . . . . 4796 1 992 . 1 1 117 117 VAL HG22 H 1 1.00 0.02 . 2 . . . . . . . . 4796 1 993 . 1 1 117 117 VAL HG23 H 1 1.00 0.02 . 2 . . . . . . . . 4796 1 994 . 1 1 117 117 VAL CA C 13 68.3 0.1 . 1 . . . . . . . . 4796 1 995 . 1 1 117 117 VAL CB C 13 31.0 0.1 . 1 . . . . . . . . 4796 1 996 . 1 1 117 117 VAL CG1 C 13 21.9 0.1 . 1 . . . . . . . . 4796 1 997 . 1 1 117 117 VAL CG2 C 13 21.9 0.1 . 1 . . . . . . . . 4796 1 998 . 1 1 117 117 VAL N N 15 125.3 0.05 . 1 . . . . . . . . 4796 1 999 . 1 1 118 118 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 4796 1 1000 . 1 1 118 118 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 4796 1 1001 . 1 1 118 118 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4796 1 1002 . 1 1 118 118 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4796 1 1003 . 1 1 118 118 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4796 1 1004 . 1 1 118 118 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4796 1 1005 . 1 1 118 118 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 4796 1 1006 . 1 1 118 118 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 4796 1 1007 . 1 1 118 118 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 4796 1 1008 . 1 1 118 118 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . 4796 1 1009 . 1 1 118 118 GLU N N 15 117.8 0.05 . 1 . . . . . . . . 4796 1 1010 . 1 1 119 119 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 4796 1 1011 . 1 1 119 119 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 4796 1 1012 . 1 1 119 119 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 4796 1 1013 . 1 1 119 119 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 4796 1 1014 . 1 1 119 119 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4796 1 1015 . 1 1 119 119 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 4796 1 1016 . 1 1 119 119 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 4796 1 1017 . 1 1 119 119 GLU N N 15 120.6 0.05 . 1 . . . . . . . . 4796 1 1018 . 1 1 120 120 ASN H H 1 7.85 0.02 . 1 . . . . . . . . 4796 1 1019 . 1 1 120 120 ASN HA H 1 4.50 0.02 . 1 . . . . . . . . 4796 1 1020 . 1 1 120 120 ASN HB2 H 1 2.44 0.02 . 2 . . . . . . . . 4796 1 1021 . 1 1 120 120 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4796 1 1022 . 1 1 120 120 ASN HD21 H 1 6.84 0.02 . 2 . . . . . . . . 4796 1 1023 . 1 1 120 120 ASN HD22 H 1 6.92 0.02 . 2 . . . . . . . . 4796 1 1024 . 1 1 120 120 ASN C C 13 174.0 0.1 . 1 . . . . . . . . 4796 1 1025 . 1 1 120 120 ASN CA C 13 58.1 0.1 . 1 . . . . . . . . 4796 1 1026 . 1 1 120 120 ASN CB C 13 40.3 0.1 . 1 . . . . . . . . 4796 1 1027 . 1 1 120 120 ASN N N 15 116.4 0.05 . 1 . . . . . . . . 4796 1 1028 . 1 1 120 120 ASN ND2 N 15 114.0 0.05 . 1 . . . . . . . . 4796 1 1029 . 1 1 121 121 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 4796 1 1030 . 1 1 121 121 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 4796 1 1031 . 1 1 121 121 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4796 1 1032 . 1 1 121 121 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 4796 1 1033 . 1 1 121 121 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 1034 . 1 1 121 121 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 1035 . 1 1 121 121 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4796 1 1036 . 1 1 121 121 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 4796 1 1037 . 1 1 121 121 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 4796 1 1038 . 1 1 121 121 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 4796 1 1039 . 1 1 121 121 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 4796 1 1040 . 1 1 121 121 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4796 1 1041 . 1 1 121 121 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 4796 1 1042 . 1 1 121 121 LEU CD1 C 13 24.2 0.1 . 2 . . . . . . . . 4796 1 1043 . 1 1 121 121 LEU CD2 C 13 25.2 0.1 . 2 . . . . . . . . 4796 1 1044 . 1 1 121 121 LEU N N 15 121.0 0.05 . 1 . . . . . . . . 4796 1 1045 . 1 1 122 122 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 4796 1 1046 . 1 1 122 122 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4796 1 1047 . 1 1 122 122 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4796 1 1048 . 1 1 122 122 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4796 1 1049 . 1 1 122 122 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 4796 1 1050 . 1 1 122 122 LYS C C 13 179.2 0.1 . 1 . . . . . . . . 4796 1 1051 . 1 1 122 122 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 4796 1 1052 . 1 1 122 122 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . 4796 1 1053 . 1 1 122 122 LYS CG C 13 29.3 0.1 . 1 . . . . . . . . 4796 1 1054 . 1 1 122 122 LYS CD C 13 24.8 0.1 . 1 . . . . . . . . 4796 1 1055 . 1 1 122 122 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 4796 1 1056 . 1 1 122 122 LYS N N 15 121.2 0.05 . 1 . . . . . . . . 4796 1 1057 . 1 1 123 123 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4796 1 1058 . 1 1 123 123 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4796 1 1059 . 1 1 123 123 LEU C C 13 179.6 0.1 . 1 . . . . . . . . 4796 1 1060 . 1 1 123 123 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4796 1 1061 . 1 1 123 123 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 4796 1 1062 . 1 1 123 123 LEU N N 15 118.9 0.05 . 1 . . . . . . . . 4796 1 1063 . 1 1 124 124 PHE H H 1 8.62 0.02 . 1 . . . . . . . . 4796 1 1064 . 1 1 124 124 PHE HA H 1 4.02 0.02 . 1 . . . . . . . . 4796 1 1065 . 1 1 124 124 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4796 1 1066 . 1 1 124 124 PHE HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4796 1 1067 . 1 1 124 124 PHE HD1 H 1 6.60 0.02 . 2 . . . . . . . . 4796 1 1068 . 1 1 124 124 PHE HE1 H 1 6.53 0.02 . 2 . . . . . . . . 4796 1 1069 . 1 1 124 124 PHE HZ H 1 6.90 0.02 . 1 . . . . . . . . 4796 1 1070 . 1 1 124 124 PHE C C 13 179.6 0.1 . 1 . . . . . . . . 4796 1 1071 . 1 1 124 124 PHE CA C 13 61.2 0.1 . 1 . . . . . . . . 4796 1 1072 . 1 1 124 124 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 4796 1 1073 . 1 1 124 124 PHE CD1 C 13 130.8 0.1 . 2 . . . . . . . . 4796 1 1074 . 1 1 124 124 PHE CE1 C 13 131.6 0.1 . 2 . . . . . . . . 4796 1 1075 . 1 1 124 124 PHE CZ C 13 129.5 0.1 . 1 . . . . . . . . 4796 1 1076 . 1 1 124 124 PHE N N 15 119.9 0.05 . 1 . . . . . . . . 4796 1 1077 . 1 1 125 125 THR H H 1 8.42 0.02 . 1 . . . . . . . . 4796 1 1078 . 1 1 125 125 THR HA H 1 3.70 0.02 . 1 . . . . . . . . 4796 1 1079 . 1 1 125 125 THR HB H 1 4.36 0.02 . 1 . . . . . . . . 4796 1 1080 . 1 1 125 125 THR HG21 H 1 1.37 0.02 . 1 . . . . . . . . 4796 1 1081 . 1 1 125 125 THR HG22 H 1 1.37 0.02 . 1 . . . . . . . . 4796 1 1082 . 1 1 125 125 THR HG23 H 1 1.37 0.02 . 1 . . . . . . . . 4796 1 1083 . 1 1 125 125 THR C C 13 175.7 0.1 . 1 . . . . . . . . 4796 1 1084 . 1 1 125 125 THR CA C 13 65.7 0.1 . 1 . . . . . . . . 4796 1 1085 . 1 1 125 125 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 4796 1 1086 . 1 1 125 125 THR CG2 C 13 22.4 0.1 . 1 . . . . . . . . 4796 1 1087 . 1 1 125 125 THR N N 15 115.8 0.05 . 1 . . . . . . . . 4796 1 1088 . 1 1 126 126 GLU H H 1 7.52 0.02 . 1 . . . . . . . . 4796 1 1089 . 1 1 126 126 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 4796 1 1090 . 1 1 126 126 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4796 1 1091 . 1 1 126 126 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 4796 1 1092 . 1 1 126 126 GLU HG3 H 1 2.45 0.02 . 2 . . . . . . . . 4796 1 1093 . 1 1 126 126 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 4796 1 1094 . 1 1 126 126 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 4796 1 1095 . 1 1 126 126 GLU CB C 13 30.5 0.1 . 1 . . . . . . . . 4796 1 1096 . 1 1 126 126 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 4796 1 1097 . 1 1 126 126 GLU N N 15 118.5 0.05 . 1 . . . . . . . . 4796 1 1098 . 1 1 127 127 GLY H H 1 7.63 0.02 . 1 . . . . . . . . 4796 1 1099 . 1 1 127 127 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 4796 1 1100 . 1 1 127 127 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 4796 1 1101 . 1 1 127 127 GLY CA C 13 46.0 0.1 . 1 . . . . . . . . 4796 1 1102 . 1 1 127 127 GLY N N 15 107.1 0.05 . 1 . . . . . . . . 4796 1 1103 . 1 1 128 128 ASN H H 1 8.20 0.02 . 1 . . . . . . . . 4796 1 1104 . 1 1 128 128 ASN HA H 1 5.03 0.02 . 1 . . . . . . . . 4796 1 1105 . 1 1 128 128 ASN HB2 H 1 2.46 0.02 . 2 . . . . . . . . 4796 1 1106 . 1 1 128 128 ASN HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4796 1 1107 . 1 1 128 128 ASN HD21 H 1 6.93 0.02 . 2 . . . . . . . . 4796 1 1108 . 1 1 128 128 ASN HD22 H 1 7.46 0.02 . 2 . . . . . . . . 4796 1 1109 . 1 1 128 128 ASN C C 13 175.1 0.1 . 1 . . . . . . . . 4796 1 1110 . 1 1 128 128 ASN CA C 13 53.1 0.1 . 1 . . . . . . . . 4796 1 1111 . 1 1 128 128 ASN CB C 13 40.6 0.1 . 1 . . . . . . . . 4796 1 1112 . 1 1 128 128 ASN N N 15 115.8 0.05 . 1 . . . . . . . . 4796 1 1113 . 1 1 128 128 ASN ND2 N 15 113.2 0.05 . 1 . . . . . . . . 4796 1 1114 . 1 1 129 129 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 4796 1 1115 . 1 1 129 129 LEU HA H 1 4.97 0.02 . 1 . . . . . . . . 4796 1 1116 . 1 1 129 129 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4796 1 1117 . 1 1 129 129 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4796 1 1118 . 1 1 129 129 LEU HG H 1 1.11 0.02 . 1 . . . . . . . . 4796 1 1119 . 1 1 129 129 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4796 1 1120 . 1 1 129 129 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4796 1 1121 . 1 1 129 129 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4796 1 1122 . 1 1 129 129 LEU HD21 H 1 1.24 0.02 . 2 . . . . . . . . 4796 1 1123 . 1 1 129 129 LEU HD22 H 1 1.24 0.02 . 2 . . . . . . . . 4796 1 1124 . 1 1 129 129 LEU HD23 H 1 1.24 0.02 . 2 . . . . . . . . 4796 1 1125 . 1 1 129 129 LEU C C 13 176.5 0.1 . 1 . . . . . . . . 4796 1 1126 . 1 1 129 129 LEU CA C 13 53.9 0.1 . 1 . . . . . . . . 4796 1 1127 . 1 1 129 129 LEU CB C 13 43.8 0.1 . 1 . . . . . . . . 4796 1 1128 . 1 1 129 129 LEU CG C 13 27.9 0.1 . 1 . . . . . . . . 4796 1 1129 . 1 1 129 129 LEU CD1 C 13 26.1 0.1 . 2 . . . . . . . . 4796 1 1130 . 1 1 129 129 LEU CD2 C 13 23.5 0.1 . 2 . . . . . . . . 4796 1 1131 . 1 1 129 129 LEU N N 15 117.2 0.05 . 1 . . . . . . . . 4796 1 1132 . 1 1 130 130 GLU H H 1 9.53 0.02 . 1 . . . . . . . . 4796 1 1133 . 1 1 130 130 GLU HA H 1 4.43 0.02 . 1 . . . . . . . . 4796 1 1134 . 1 1 130 130 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4796 1 1135 . 1 1 130 130 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 4796 1 1136 . 1 1 130 130 GLU C C 13 175.6 0.1 . 1 . . . . . . . . 4796 1 1137 . 1 1 130 130 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 4796 1 1138 . 1 1 130 130 GLU CB C 13 31.6 0.1 . 1 . . . . . . . . 4796 1 1139 . 1 1 130 130 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 4796 1 1140 . 1 1 130 130 GLU N N 15 124.3 0.05 . 1 . . . . . . . . 4796 1 1141 . 1 1 131 131 GLU H H 1 8.70 0.02 . 1 . . . . . . . . 4796 1 1142 . 1 1 131 131 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 4796 1 1143 . 1 1 131 131 GLU C C 13 176.8 0.1 . 1 . . . . . . . . 4796 1 1144 . 1 1 131 131 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 4796 1 1145 . 1 1 131 131 GLU CB C 13 30.5 0.1 . 1 . . . . . . . . 4796 1 1146 . 1 1 131 131 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 4796 1 1147 . 1 1 131 131 GLU N N 15 125.6 0.05 . 1 . . . . . . . . 4796 1 1148 . 1 1 132 132 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 4796 1 1149 . 1 1 132 132 ILE HA H 1 4.01 0.02 . 1 . . . . . . . . 4796 1 1150 . 1 1 132 132 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 4796 1 1151 . 1 1 132 132 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 4796 1 1152 . 1 1 132 132 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 4796 1 1153 . 1 1 132 132 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 4796 1 1154 . 1 1 132 132 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4796 1 1155 . 1 1 132 132 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4796 1 1156 . 1 1 132 132 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4796 1 1157 . 1 1 132 132 ILE C C 13 175.1 0.1 . 1 . . . . . . . . 4796 1 1158 . 1 1 132 132 ILE CA C 13 62.2 0.1 . 1 . . . . . . . . 4796 1 1159 . 1 1 132 132 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 4796 1 1160 . 1 1 132 132 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 4796 1 1161 . 1 1 132 132 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 4796 1 1162 . 1 1 132 132 ILE N N 15 128.1 0.05 . 1 . . . . . . . . 4796 1 1163 . 1 1 133 133 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 4796 1 1164 . 1 1 133 133 ARG HA H 1 4.54 0.02 . 1 . . . . . . . . 4796 1 1165 . 1 1 133 133 ARG C C 13 175.3 0.1 . 1 . . . . . . . . 4796 1 1166 . 1 1 133 133 ARG CA C 13 55.3 0.1 . 1 . . . . . . . . 4796 1 1167 . 1 1 133 133 ARG CB C 13 31.7 0.1 . 1 . . . . . . . . 4796 1 1168 . 1 1 133 133 ARG N N 15 125.4 0.05 . 1 . . . . . . . . 4796 1 1169 . 1 1 134 134 SER H H 1 7.70 0.02 . 1 . . . . . . . . 4796 1 1170 . 1 1 134 134 SER CA C 13 55.5 0.1 . 1 . . . . . . . . 4796 1 1171 . 1 1 134 134 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 4796 1 1172 . 1 1 134 134 SER N N 15 115.2 0.05 . 1 . . . . . . . . 4796 1 1173 . 1 1 136 136 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 4796 1 1174 . 1 1 136 136 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 4796 1 1175 . 1 1 136 136 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 4796 1 1176 . 1 1 137 137 SER H H 1 8.20 0.02 . 1 . . . . . . . . 4796 1 1177 . 1 1 137 137 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 4796 1 1178 . 1 1 137 137 SER CB C 13 64.0 0.1 . 1 . . . . . . . . 4796 1 1179 . 1 1 137 137 SER N N 15 115.3 0.05 . 1 . . . . . . . . 4796 1 1180 . 1 1 138 138 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 4796 1 1181 . 1 1 138 138 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 4796 1 1182 . 1 1 138 138 GLY N N 15 110.9 0.05 . 1 . . . . . . . . 4796 1 1183 . 1 1 139 139 ARG H H 1 8.28 0.02 . 1 . . . . . . . . 4796 1 1184 . 1 1 139 139 ARG CA C 13 56.4 0.1 . 1 . . . . . . . . 4796 1 1185 . 1 1 139 139 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 4796 1 1186 . 1 1 139 139 ARG CG C 13 27.0 0.1 . 1 . . . . . . . . 4796 1 1187 . 1 1 139 139 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 4796 1 1188 . 1 1 139 139 ARG N N 15 120.5 0.05 . 1 . . . . . . . . 4796 1 1189 . 1 1 140 140 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4796 1 1190 . 1 1 140 140 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4796 1 1191 . 1 1 140 140 GLY N N 15 109.9 0.05 . 1 . . . . . . . . 4796 1 stop_ save_