data_4393 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4393 _Entry.Title ; 1H, 15N, and 13C NMR Backbone Assignments of the N Terminal Region of Human Erythrocyte Alpha Spectrin Including One Repeating Unit. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-08 _Entry.Accession_date 1999-09-09 _Entry.Last_release_date . _Entry.Original_release_date . _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 Sunghyouk Park . . . 4393 2 Xiubei Liao . . . 4393 3 Michael Johnson . . . 4393 4 Leslie Fung . . . 4393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4393 coupling_constants 1 4393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 4393 '15N chemical shifts' 149 4393 '1H chemical shifts' 298 4393 'coupling constants' 96 4393 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 2 . . 2000-12-07 . original author 'original release' 4393 1 . . 2003-06-05 . update author 'addition of coupling constants' 4393 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4393 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20149606 _Citation.DOI . _Citation.PubMed_ID 10685345 _Citation.Full_citation ; Park, S., Liao, X., Johnson, M.E., and Fung, L.W., "1H, 15N, and 13C NMR Backbone Assignments of the N-terminal Region of Human Erythrocyte alpha Spectrin Including one Structural Domain," J. Biomol. NMR 15, 345-346 (1999). ; _Citation.Title ; 1H, 15N, and 13C NMR Backbone Assignments of the N-terminal Region of Human Erythrocyte alpha Spectrin Including one Structural Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _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 345 _Citation.Page_last 346 _Citation.Year 1999 _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 Sunghyouk Park . . . 4393 1 2 Xiubei Liao . . . 4393 1 3 Michael Johnson . E. . 4393 1 4 Leslie Fung . W. . 4393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Sp _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Sp _Assembly.Entry_ID 4393 _Assembly.ID 1 _Assembly.Name spectrin _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 4393 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 spectrin 1 $spectrin . . . native . . . . . 4393 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID sp abbreviation 4393 1 spectrin system 4393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_spectrin _Entity.Sf_category entity _Entity.Sf_framecode spectrin _Entity.Entry_ID 4393 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name spectrin _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 ; MEQFPKETVVESSGPKVLET AEEIQERRQEVLTRYQSFKE RVAERGQKLEDSYHLQVFKR DADDLGKWIMEKVNILTDKS YEDPTNIQGKYQKHQSLEAE VQTKSRLMSELEKTREERFT MGHSAHEETKAHIEELRHLW DLLLELTLEKGDQLLR ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1OWA . "Solution Structural Studies On Human Erythrocyte Alpha Spectrin N Terminal Tetramerization Domain" . . . . . 100.00 156 100.00 100.00 2.30e-107 . . . . 4393 1 no PDB 3LBX . "Crystal Structure Of The Erythrocyte Spectrin Tetramerization Domain Complex" . . . . . 100.00 161 100.00 100.00 2.29e-107 . . . . 4393 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sp abbreviation 4393 1 spectrin common 4393 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 . 4393 1 2 . GLU . 4393 1 3 . GLN . 4393 1 4 . PHE . 4393 1 5 . PRO . 4393 1 6 . LYS . 4393 1 7 . GLU . 4393 1 8 . THR . 4393 1 9 . VAL . 4393 1 10 . VAL . 4393 1 11 . GLU . 4393 1 12 . SER . 4393 1 13 . SER . 4393 1 14 . GLY . 4393 1 15 . PRO . 4393 1 16 . LYS . 4393 1 17 . VAL . 4393 1 18 . LEU . 4393 1 19 . GLU . 4393 1 20 . THR . 4393 1 21 . ALA . 4393 1 22 . GLU . 4393 1 23 . GLU . 4393 1 24 . ILE . 4393 1 25 . GLN . 4393 1 26 . GLU . 4393 1 27 . ARG . 4393 1 28 . ARG . 4393 1 29 . GLN . 4393 1 30 . GLU . 4393 1 31 . VAL . 4393 1 32 . LEU . 4393 1 33 . THR . 4393 1 34 . ARG . 4393 1 35 . TYR . 4393 1 36 . GLN . 4393 1 37 . SER . 4393 1 38 . PHE . 4393 1 39 . LYS . 4393 1 40 . GLU . 4393 1 41 . ARG . 4393 1 42 . VAL . 4393 1 43 . ALA . 4393 1 44 . GLU . 4393 1 45 . ARG . 4393 1 46 . GLY . 4393 1 47 . GLN . 4393 1 48 . LYS . 4393 1 49 . LEU . 4393 1 50 . GLU . 4393 1 51 . ASP . 4393 1 52 . SER . 4393 1 53 . TYR . 4393 1 54 . HIS . 4393 1 55 . LEU . 4393 1 56 . GLN . 4393 1 57 . VAL . 4393 1 58 . PHE . 4393 1 59 . LYS . 4393 1 60 . ARG . 4393 1 61 . ASP . 4393 1 62 . ALA . 4393 1 63 . ASP . 4393 1 64 . ASP . 4393 1 65 . LEU . 4393 1 66 . GLY . 4393 1 67 . LYS . 4393 1 68 . TRP . 4393 1 69 . ILE . 4393 1 70 . MET . 4393 1 71 . GLU . 4393 1 72 . LYS . 4393 1 73 . VAL . 4393 1 74 . ASN . 4393 1 75 . ILE . 4393 1 76 . LEU . 4393 1 77 . THR . 4393 1 78 . ASP . 4393 1 79 . LYS . 4393 1 80 . SER . 4393 1 81 . TYR . 4393 1 82 . GLU . 4393 1 83 . ASP . 4393 1 84 . PRO . 4393 1 85 . THR . 4393 1 86 . ASN . 4393 1 87 . ILE . 4393 1 88 . GLN . 4393 1 89 . GLY . 4393 1 90 . LYS . 4393 1 91 . TYR . 4393 1 92 . GLN . 4393 1 93 . LYS . 4393 1 94 . HIS . 4393 1 95 . GLN . 4393 1 96 . SER . 4393 1 97 . LEU . 4393 1 98 . GLU . 4393 1 99 . ALA . 4393 1 100 . GLU . 4393 1 101 . VAL . 4393 1 102 . GLN . 4393 1 103 . THR . 4393 1 104 . LYS . 4393 1 105 . SER . 4393 1 106 . ARG . 4393 1 107 . LEU . 4393 1 108 . MET . 4393 1 109 . SER . 4393 1 110 . GLU . 4393 1 111 . LEU . 4393 1 112 . GLU . 4393 1 113 . LYS . 4393 1 114 . THR . 4393 1 115 . ARG . 4393 1 116 . GLU . 4393 1 117 . GLU . 4393 1 118 . ARG . 4393 1 119 . PHE . 4393 1 120 . THR . 4393 1 121 . MET . 4393 1 122 . GLY . 4393 1 123 . HIS . 4393 1 124 . SER . 4393 1 125 . ALA . 4393 1 126 . HIS . 4393 1 127 . GLU . 4393 1 128 . GLU . 4393 1 129 . THR . 4393 1 130 . LYS . 4393 1 131 . ALA . 4393 1 132 . HIS . 4393 1 133 . ILE . 4393 1 134 . GLU . 4393 1 135 . GLU . 4393 1 136 . LEU . 4393 1 137 . ARG . 4393 1 138 . HIS . 4393 1 139 . LEU . 4393 1 140 . TRP . 4393 1 141 . ASP . 4393 1 142 . LEU . 4393 1 143 . LEU . 4393 1 144 . LEU . 4393 1 145 . GLU . 4393 1 146 . LEU . 4393 1 147 . THR . 4393 1 148 . LEU . 4393 1 149 . GLU . 4393 1 150 . LYS . 4393 1 151 . GLY . 4393 1 152 . ASP . 4393 1 153 . GLN . 4393 1 154 . LEU . 4393 1 155 . LEU . 4393 1 156 . ARG . 4393 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 4393 1 . GLU 2 2 4393 1 . GLN 3 3 4393 1 . PHE 4 4 4393 1 . PRO 5 5 4393 1 . LYS 6 6 4393 1 . GLU 7 7 4393 1 . THR 8 8 4393 1 . VAL 9 9 4393 1 . VAL 10 10 4393 1 . GLU 11 11 4393 1 . SER 12 12 4393 1 . SER 13 13 4393 1 . GLY 14 14 4393 1 . PRO 15 15 4393 1 . LYS 16 16 4393 1 . VAL 17 17 4393 1 . LEU 18 18 4393 1 . GLU 19 19 4393 1 . THR 20 20 4393 1 . ALA 21 21 4393 1 . GLU 22 22 4393 1 . GLU 23 23 4393 1 . ILE 24 24 4393 1 . GLN 25 25 4393 1 . GLU 26 26 4393 1 . ARG 27 27 4393 1 . ARG 28 28 4393 1 . GLN 29 29 4393 1 . GLU 30 30 4393 1 . VAL 31 31 4393 1 . LEU 32 32 4393 1 . THR 33 33 4393 1 . ARG 34 34 4393 1 . TYR 35 35 4393 1 . GLN 36 36 4393 1 . SER 37 37 4393 1 . PHE 38 38 4393 1 . LYS 39 39 4393 1 . GLU 40 40 4393 1 . ARG 41 41 4393 1 . VAL 42 42 4393 1 . ALA 43 43 4393 1 . GLU 44 44 4393 1 . ARG 45 45 4393 1 . GLY 46 46 4393 1 . GLN 47 47 4393 1 . LYS 48 48 4393 1 . LEU 49 49 4393 1 . GLU 50 50 4393 1 . ASP 51 51 4393 1 . SER 52 52 4393 1 . TYR 53 53 4393 1 . HIS 54 54 4393 1 . LEU 55 55 4393 1 . GLN 56 56 4393 1 . VAL 57 57 4393 1 . PHE 58 58 4393 1 . LYS 59 59 4393 1 . ARG 60 60 4393 1 . ASP 61 61 4393 1 . ALA 62 62 4393 1 . ASP 63 63 4393 1 . ASP 64 64 4393 1 . LEU 65 65 4393 1 . GLY 66 66 4393 1 . LYS 67 67 4393 1 . TRP 68 68 4393 1 . ILE 69 69 4393 1 . MET 70 70 4393 1 . GLU 71 71 4393 1 . LYS 72 72 4393 1 . VAL 73 73 4393 1 . ASN 74 74 4393 1 . ILE 75 75 4393 1 . LEU 76 76 4393 1 . THR 77 77 4393 1 . ASP 78 78 4393 1 . LYS 79 79 4393 1 . SER 80 80 4393 1 . TYR 81 81 4393 1 . GLU 82 82 4393 1 . ASP 83 83 4393 1 . PRO 84 84 4393 1 . THR 85 85 4393 1 . ASN 86 86 4393 1 . ILE 87 87 4393 1 . GLN 88 88 4393 1 . GLY 89 89 4393 1 . LYS 90 90 4393 1 . TYR 91 91 4393 1 . GLN 92 92 4393 1 . LYS 93 93 4393 1 . HIS 94 94 4393 1 . GLN 95 95 4393 1 . SER 96 96 4393 1 . LEU 97 97 4393 1 . GLU 98 98 4393 1 . ALA 99 99 4393 1 . GLU 100 100 4393 1 . VAL 101 101 4393 1 . GLN 102 102 4393 1 . THR 103 103 4393 1 . LYS 104 104 4393 1 . SER 105 105 4393 1 . ARG 106 106 4393 1 . LEU 107 107 4393 1 . MET 108 108 4393 1 . SER 109 109 4393 1 . GLU 110 110 4393 1 . LEU 111 111 4393 1 . GLU 112 112 4393 1 . LYS 113 113 4393 1 . THR 114 114 4393 1 . ARG 115 115 4393 1 . GLU 116 116 4393 1 . GLU 117 117 4393 1 . ARG 118 118 4393 1 . PHE 119 119 4393 1 . THR 120 120 4393 1 . MET 121 121 4393 1 . GLY 122 122 4393 1 . HIS 123 123 4393 1 . SER 124 124 4393 1 . ALA 125 125 4393 1 . HIS 126 126 4393 1 . GLU 127 127 4393 1 . GLU 128 128 4393 1 . THR 129 129 4393 1 . LYS 130 130 4393 1 . ALA 131 131 4393 1 . HIS 132 132 4393 1 . ILE 133 133 4393 1 . GLU 134 134 4393 1 . GLU 135 135 4393 1 . LEU 136 136 4393 1 . ARG 137 137 4393 1 . HIS 138 138 4393 1 . LEU 139 139 4393 1 . TRP 140 140 4393 1 . ASP 141 141 4393 1 . LEU 142 142 4393 1 . LEU 143 143 4393 1 . LEU 144 144 4393 1 . GLU 145 145 4393 1 . LEU 146 146 4393 1 . THR 147 147 4393 1 . LEU 148 148 4393 1 . GLU 149 149 4393 1 . LYS 150 150 4393 1 . GLY 151 151 4393 1 . ASP 152 152 4393 1 . GLN 153 153 4393 1 . LEU 154 154 4393 1 . LEU 155 155 4393 1 . ARG 156 156 4393 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 4393 _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 $spectrin . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4393 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 4393 _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 $spectrin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4393 _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 spectrin '[U-2H; U-15N; U-13C]' . . 1 $spectrin . . . 0.9 1.1 mM . . . . 4393 1 2 'Phosphate Buffer' . . . . . . . 5 . . mM . . . . 4393 1 3 'Sodium Chloride' . . . . . . . 150 . . mM . . . . 4393 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4393 _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 'ionic strength' 0.18 0.01 M 4393 1 pH 6.5 0.1 na 4393 1 temperature 293 0.2 K 4393 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.13 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4393 _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 Bruker DRX . 600.13 . . . 4393 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 4393 _Experiment_list.ID 1 _Experiment_list.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 4393 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 na cylindrical parallel_to_Bo . . . . . . 4393 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . na cylindrical parallel_to_Bo . . . . . . 4393 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 na cylindrical parallel_to_Bo . . . . . . 4393 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4393 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4393 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.48 0.02 . 1 . . . . . . . . 4393 1 2 . 1 1 1 1 MET HA H 1 4.35 0.02 . 1 . . . . . . . . 4393 1 3 . 1 1 1 1 MET C C 13 176.5 0.1 . 1 . . . . . . . . 4393 1 4 . 1 1 1 1 MET CA C 13 55.5 0.1 . 1 . . . . . . . . 4393 1 5 . 1 1 1 1 MET N N 15 121.6 0.1 . 1 . . . . . . . . 4393 1 6 . 1 1 2 2 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 4393 1 7 . 1 1 2 2 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 4393 1 8 . 1 1 2 2 GLU C C 13 175.8 0.1 . 1 . . . . . . . . 4393 1 9 . 1 1 2 2 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 4393 1 10 . 1 1 2 2 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 4393 1 11 . 1 1 3 3 GLN H H 1 8.16 0.02 . 1 . . . . . . . . 4393 1 12 . 1 1 3 3 GLN HA H 1 4.06 0.02 . 1 . . . . . . . . 4393 1 13 . 1 1 3 3 GLN C C 13 175.0 0.1 . 1 . . . . . . . . 4393 1 14 . 1 1 3 3 GLN CA C 13 55.5 0.1 . 1 . . . . . . . . 4393 1 15 . 1 1 3 3 GLN N N 15 120.4 0.1 . 1 . . . . . . . . 4393 1 16 . 1 1 4 4 PHE H H 1 8.13 0.02 . 1 . . . . . . . . 4393 1 17 . 1 1 4 4 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . 4393 1 18 . 1 1 4 4 PHE C C 13 173.4 0.1 . 1 . . . . . . . . 4393 1 19 . 1 1 4 4 PHE CA C 13 55.2 0.1 . 1 . . . . . . . . 4393 1 20 . 1 1 4 4 PHE N N 15 120.7 0.1 . 1 . . . . . . . . 4393 1 21 . 1 1 5 5 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . 4393 1 22 . 1 1 5 5 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 4393 1 23 . 1 1 5 5 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 4393 1 24 . 1 1 6 6 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 4393 1 25 . 1 1 6 6 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4393 1 26 . 1 1 6 6 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 27 . 1 1 6 6 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 4393 1 28 . 1 1 6 6 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 4393 1 29 . 1 1 7 7 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4393 1 30 . 1 1 7 7 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 4393 1 31 . 1 1 7 7 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 4393 1 32 . 1 1 7 7 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 4393 1 33 . 1 1 7 7 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 4393 1 34 . 1 1 8 8 THR H H 1 8.18 0.02 . 1 . . . . . . . . 4393 1 35 . 1 1 8 8 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 4393 1 36 . 1 1 8 8 THR C C 13 174.0 0.1 . 1 . . . . . . . . 4393 1 37 . 1 1 8 8 THR CA C 13 62.0 0.1 . 1 . . . . . . . . 4393 1 38 . 1 1 8 8 THR N N 15 116.4 0.1 . 1 . . . . . . . . 4393 1 39 . 1 1 9 9 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 4393 1 40 . 1 1 9 9 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 41 . 1 1 9 9 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 4393 1 42 . 1 1 9 9 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 4393 1 43 . 1 1 9 9 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 4393 1 44 . 1 1 10 10 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 4393 1 45 . 1 1 10 10 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . 4393 1 46 . 1 1 10 10 VAL C C 13 175.9 0.1 . 1 . . . . . . . . 4393 1 47 . 1 1 10 10 VAL CA C 13 61.9 0.1 . 1 . . . . . . . . 4393 1 48 . 1 1 10 10 VAL N N 15 124.6 0.1 . 1 . . . . . . . . 4393 1 49 . 1 1 11 11 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 4393 1 50 . 1 1 11 11 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4393 1 51 . 1 1 11 11 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4393 1 52 . 1 1 11 11 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 4393 1 53 . 1 1 11 11 GLU N N 15 125.1 0.1 . 1 . . . . . . . . 4393 1 54 . 1 1 12 12 SER H H 1 8.35 0.02 . 1 . . . . . . . . 4393 1 55 . 1 1 12 12 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 4393 1 56 . 1 1 12 12 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4393 1 57 . 1 1 12 12 SER CA C 13 58.1 0.1 . 1 . . . . . . . . 4393 1 58 . 1 1 12 12 SER N N 15 117.0 0.1 . 1 . . . . . . . . 4393 1 59 . 1 1 13 13 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4393 1 60 . 1 1 13 13 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 4393 1 61 . 1 1 13 13 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4393 1 62 . 1 1 13 13 SER CA C 13 58.1 0.1 . 1 . . . . . . . . 4393 1 63 . 1 1 13 13 SER N N 15 117.5 0.1 . 1 . . . . . . . . 4393 1 64 . 1 1 14 14 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 4393 1 65 . 1 1 14 14 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 4393 1 66 . 1 1 14 14 GLY C C 13 171.2 0.1 . 1 . . . . . . . . 4393 1 67 . 1 1 14 14 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 4393 1 68 . 1 1 14 14 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 4393 1 69 . 1 1 15 15 PRO HA H 1 4.25 0.02 . 1 . . . . . . . . 4393 1 70 . 1 1 15 15 PRO C C 13 176.6 0.1 . 1 . . . . . . . . 4393 1 71 . 1 1 15 15 PRO CA C 13 62.7 0.1 . 1 . . . . . . . . 4393 1 72 . 1 1 16 16 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 4393 1 73 . 1 1 16 16 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4393 1 74 . 1 1 16 16 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 4393 1 75 . 1 1 16 16 LYS CA C 13 55.9 0.1 . 1 . . . . . . . . 4393 1 76 . 1 1 16 16 LYS N N 15 121.5 0.1 . 1 . . . . . . . . 4393 1 77 . 1 1 17 17 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 4393 1 78 . 1 1 17 17 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 4393 1 79 . 1 1 17 17 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 4393 1 80 . 1 1 17 17 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 4393 1 81 . 1 1 17 17 VAL N N 15 122.4 0.1 . 1 . . . . . . . . 4393 1 82 . 1 1 18 18 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 4393 1 83 . 1 1 18 18 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4393 1 84 . 1 1 18 18 LEU C C 13 176.8 0.1 . 1 . . . . . . . . 4393 1 85 . 1 1 18 18 LEU CA C 13 54.7 0.1 . 1 . . . . . . . . 4393 1 86 . 1 1 18 18 LEU N N 15 126.0 0.1 . 1 . . . . . . . . 4393 1 87 . 1 1 19 19 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 4393 1 88 . 1 1 19 19 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 4393 1 89 . 1 1 19 19 GLU C C 13 176.7 0.1 . 1 . . . . . . . . 4393 1 90 . 1 1 19 19 GLU CA C 13 55.6 0.1 . 1 . . . . . . . . 4393 1 91 . 1 1 19 19 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 4393 1 92 . 1 1 20 20 THR H H 1 8.71 0.02 . 1 . . . . . . . . 4393 1 93 . 1 1 20 20 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 4393 1 94 . 1 1 20 20 THR C C 13 174.8 0.1 . 1 . . . . . . . . 4393 1 95 . 1 1 20 20 THR CA C 13 60.8 0.1 . 1 . . . . . . . . 4393 1 96 . 1 1 20 20 THR N N 15 114.0 0.1 . 1 . . . . . . . . 4393 1 97 . 1 1 21 21 ALA H H 1 8.74 0.02 . 1 . . . . . . . . 4393 1 98 . 1 1 21 21 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 4393 1 99 . 1 1 21 21 ALA C C 13 180.4 0.1 . 1 . . . . . . . . 4393 1 100 . 1 1 21 21 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 4393 1 101 . 1 1 21 21 ALA N N 15 122.3 0.1 . 1 . . . . . . . . 4393 1 102 . 1 1 22 22 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 4393 1 103 . 1 1 22 22 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 4393 1 104 . 1 1 22 22 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 4393 1 105 . 1 1 22 22 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 4393 1 106 . 1 1 22 22 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 4393 1 107 . 1 1 23 23 GLU H H 1 7.70 0.02 . 1 . . . . . . . . 4393 1 108 . 1 1 23 23 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 4393 1 109 . 1 1 23 23 GLU C C 13 179.7 0.1 . 1 . . . . . . . . 4393 1 110 . 1 1 23 23 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 4393 1 111 . 1 1 23 23 GLU N N 15 120.9 0.1 . 1 . . . . . . . . 4393 1 112 . 1 1 24 24 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 4393 1 113 . 1 1 24 24 ILE HA H 1 3.45 0.02 . 1 . . . . . . . . 4393 1 114 . 1 1 24 24 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 4393 1 115 . 1 1 24 24 ILE CA C 13 65.4 0.1 . 1 . . . . . . . . 4393 1 116 . 1 1 24 24 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 4393 1 117 . 1 1 25 25 GLN H H 1 7.72 0.02 . 1 . . . . . . . . 4393 1 118 . 1 1 25 25 GLN HA H 1 3.88 0.02 . 1 . . . . . . . . 4393 1 119 . 1 1 25 25 GLN C C 13 178.5 0.1 . 1 . . . . . . . . 4393 1 120 . 1 1 25 25 GLN CA C 13 58.4 0.1 . 1 . . . . . . . . 4393 1 121 . 1 1 25 25 GLN N N 15 117.6 0.1 . 1 . . . . . . . . 4393 1 122 . 1 1 26 26 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 4393 1 123 . 1 1 26 26 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 4393 1 124 . 1 1 26 26 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 4393 1 125 . 1 1 26 26 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 4393 1 126 . 1 1 26 26 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 4393 1 127 . 1 1 27 27 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 4393 1 128 . 1 1 27 27 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 4393 1 129 . 1 1 27 27 ARG C C 13 179.5 0.1 . 1 . . . . . . . . 4393 1 130 . 1 1 27 27 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 4393 1 131 . 1 1 27 27 ARG N N 15 119.8 0.1 . 1 . . . . . . . . 4393 1 132 . 1 1 28 28 ARG H H 1 8.20 0.02 . 1 . . . . . . . . 4393 1 133 . 1 1 28 28 ARG HA H 1 3.85 0.02 . 1 . . . . . . . . 4393 1 134 . 1 1 28 28 ARG C C 13 178.0 0.1 . 1 . . . . . . . . 4393 1 135 . 1 1 28 28 ARG CA C 13 60.0 0.1 . 1 . . . . . . . . 4393 1 136 . 1 1 28 28 ARG N N 15 118.6 0.1 . 1 . . . . . . . . 4393 1 137 . 1 1 29 29 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 4393 1 138 . 1 1 29 29 GLN HA H 1 3.86 0.02 . 1 . . . . . . . . 4393 1 139 . 1 1 29 29 GLN C C 13 178.5 0.1 . 1 . . . . . . . . 4393 1 140 . 1 1 29 29 GLN CA C 13 58.2 0.1 . 1 . . . . . . . . 4393 1 141 . 1 1 29 29 GLN N N 15 116.6 0.1 . 1 . . . . . . . . 4393 1 142 . 1 1 30 30 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 4393 1 143 . 1 1 30 30 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4393 1 144 . 1 1 30 30 GLU C C 13 178.5 0.1 . 1 . . . . . . . . 4393 1 145 . 1 1 30 30 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 4393 1 146 . 1 1 30 30 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 4393 1 147 . 1 1 31 31 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 4393 1 148 . 1 1 31 31 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 4393 1 149 . 1 1 31 31 VAL C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 150 . 1 1 31 31 VAL CA C 13 65.9 0.1 . 1 . . . . . . . . 4393 1 151 . 1 1 31 31 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 4393 1 152 . 1 1 32 32 LEU H H 1 7.19 0.02 . 1 . . . . . . . . 4393 1 153 . 1 1 32 32 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 4393 1 154 . 1 1 32 32 LEU C C 13 179.2 0.1 . 1 . . . . . . . . 4393 1 155 . 1 1 32 32 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4393 1 156 . 1 1 32 32 LEU N N 15 118.7 0.1 . 1 . . . . . . . . 4393 1 157 . 1 1 33 33 THR H H 1 8.68 0.02 . 1 . . . . . . . . 4393 1 158 . 1 1 33 33 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 4393 1 159 . 1 1 33 33 THR C C 13 177.0 0.1 . 1 . . . . . . . . 4393 1 160 . 1 1 33 33 THR CA C 13 66.0 0.1 . 1 . . . . . . . . 4393 1 161 . 1 1 33 33 THR N N 15 116.1 0.1 . 1 . . . . . . . . 4393 1 162 . 1 1 34 34 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4393 1 163 . 1 1 34 34 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 4393 1 164 . 1 1 34 34 ARG CA C 13 59.6 0.1 . 1 . . . . . . . . 4393 1 165 . 1 1 34 34 ARG N N 15 122.6 0.1 . 1 . . . . . . . . 4393 1 166 . 1 1 37 37 SER H H 1 8.37 0.02 . 1 . . . . . . . . 4393 1 167 . 1 1 37 37 SER HA H 1 4.09 0.02 . 1 . . . . . . . . 4393 1 168 . 1 1 37 37 SER C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 169 . 1 1 37 37 SER CA C 13 61.5 0.1 . 1 . . . . . . . . 4393 1 170 . 1 1 37 37 SER N N 15 114.6 0.1 . 1 . . . . . . . . 4393 1 171 . 1 1 38 38 PHE H H 1 7.90 0.02 . 1 . . . . . . . . 4393 1 172 . 1 1 38 38 PHE HA H 1 3.76 0.02 . 1 . . . . . . . . 4393 1 173 . 1 1 38 38 PHE C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 174 . 1 1 38 38 PHE CA C 13 60.7 0.1 . 1 . . . . . . . . 4393 1 175 . 1 1 38 38 PHE N N 15 123.6 0.1 . 1 . . . . . . . . 4393 1 176 . 1 1 39 39 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 4393 1 177 . 1 1 39 39 LYS HA H 1 3.21 0.02 . 1 . . . . . . . . 4393 1 178 . 1 1 39 39 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 4393 1 179 . 1 1 39 39 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 4393 1 180 . 1 1 39 39 LYS N N 15 117.9 0.1 . 1 . . . . . . . . 4393 1 181 . 1 1 40 40 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 4393 1 182 . 1 1 40 40 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 4393 1 183 . 1 1 40 40 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 4393 1 184 . 1 1 40 40 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 4393 1 185 . 1 1 40 40 GLU N N 15 118.3 0.1 . 1 . . . . . . . . 4393 1 186 . 1 1 41 41 ARG H H 1 7.59 0.02 . 1 . . . . . . . . 4393 1 187 . 1 1 41 41 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 188 . 1 1 41 41 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 4393 1 189 . 1 1 41 41 ARG CA C 13 58.4 0.1 . 1 . . . . . . . . 4393 1 190 . 1 1 41 41 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 4393 1 191 . 1 1 42 42 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 4393 1 192 . 1 1 42 42 VAL HA H 1 3.57 0.02 . 1 . . . . . . . . 4393 1 193 . 1 1 42 42 VAL C C 13 177.8 0.1 . 1 . . . . . . . . 4393 1 194 . 1 1 42 42 VAL CA C 13 64.1 0.1 . 1 . . . . . . . . 4393 1 195 . 1 1 42 42 VAL N N 15 117.5 0.1 . 1 . . . . . . . . 4393 1 196 . 1 1 43 43 ALA H H 1 7.55 0.02 . 1 . . . . . . . . 4393 1 197 . 1 1 43 43 ALA HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 198 . 1 1 43 43 ALA C C 13 179.0 0.1 . 1 . . . . . . . . 4393 1 199 . 1 1 43 43 ALA CA C 13 53.7 0.1 . 1 . . . . . . . . 4393 1 200 . 1 1 43 43 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4393 1 201 . 1 1 44 44 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 4393 1 202 . 1 1 44 44 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 203 . 1 1 44 44 GLU C C 13 177.2 0.1 . 1 . . . . . . . . 4393 1 204 . 1 1 44 44 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 205 . 1 1 44 44 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 4393 1 206 . 1 1 45 45 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 4393 1 207 . 1 1 45 45 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 4393 1 208 . 1 1 45 45 ARG C C 13 177.2 0.1 . 1 . . . . . . . . 4393 1 209 . 1 1 45 45 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . 4393 1 210 . 1 1 45 45 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 4393 1 211 . 1 1 46 46 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4393 1 212 . 1 1 46 46 GLY HA2 H 1 3.81 0.02 . 1 . . . . . . . . 4393 1 213 . 1 1 46 46 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 4393 1 214 . 1 1 46 46 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4393 1 215 . 1 1 46 46 GLY N N 15 107.2 0.1 . 1 . . . . . . . . 4393 1 216 . 1 1 47 47 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 4393 1 217 . 1 1 47 47 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 4393 1 218 . 1 1 47 47 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 4393 1 219 . 1 1 47 47 GLN CA C 13 55.6 0.1 . 1 . . . . . . . . 4393 1 220 . 1 1 47 47 GLN N N 15 119.5 0.1 . 1 . . . . . . . . 4393 1 221 . 1 1 48 48 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 4393 1 222 . 1 1 48 48 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 4393 1 223 . 1 1 48 48 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 224 . 1 1 48 48 LYS CA C 13 55.7 0.1 . 1 . . . . . . . . 4393 1 225 . 1 1 48 48 LYS N N 15 122.2 0.1 . 1 . . . . . . . . 4393 1 226 . 1 1 49 49 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 4393 1 227 . 1 1 49 49 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4393 1 228 . 1 1 49 49 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 229 . 1 1 49 49 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 4393 1 230 . 1 1 49 49 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 4393 1 231 . 1 1 50 50 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 4393 1 232 . 1 1 50 50 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4393 1 233 . 1 1 50 50 GLU C C 13 176.8 0.1 . 1 . . . . . . . . 4393 1 234 . 1 1 50 50 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 4393 1 235 . 1 1 50 50 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 236 . 1 1 51 51 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 4393 1 237 . 1 1 51 51 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4393 1 238 . 1 1 51 51 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 239 . 1 1 51 51 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 4393 1 240 . 1 1 51 51 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 4393 1 241 . 1 1 52 52 SER H H 1 8.24 0.02 . 1 . . . . . . . . 4393 1 242 . 1 1 52 52 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4393 1 243 . 1 1 52 52 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4393 1 244 . 1 1 52 52 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 4393 1 245 . 1 1 52 52 SER N N 15 116.3 0.1 . 1 . . . . . . . . 4393 1 246 . 1 1 53 53 TYR H H 1 8.87 0.02 . 1 . . . . . . . . 4393 1 247 . 1 1 53 53 TYR HA H 1 4.05 0.02 . 1 . . . . . . . . 4393 1 248 . 1 1 53 53 TYR C C 13 176.7 0.1 . 1 . . . . . . . . 4393 1 249 . 1 1 53 53 TYR CA C 13 61.8 0.1 . 1 . . . . . . . . 4393 1 250 . 1 1 53 53 TYR N N 15 123.4 0.1 . 1 . . . . . . . . 4393 1 251 . 1 1 54 54 HIS H H 1 8.08 0.02 . 1 . . . . . . . . 4393 1 252 . 1 1 54 54 HIS HA H 1 4.04 0.02 . 1 . . . . . . . . 4393 1 253 . 1 1 54 54 HIS C C 13 178.8 0.1 . 1 . . . . . . . . 4393 1 254 . 1 1 54 54 HIS CA C 13 59.9 0.1 . 1 . . . . . . . . 4393 1 255 . 1 1 54 54 HIS N N 15 113.4 0.1 . 1 . . . . . . . . 4393 1 256 . 1 1 55 55 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4393 1 257 . 1 1 55 55 LEU HA H 1 4.04 0.02 . 9 . . . . . . . . 4393 1 258 . 1 1 55 55 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 259 . 1 1 55 55 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 4393 1 260 . 1 1 55 55 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4393 1 261 . 1 1 56 56 GLN H H 1 8.29 0.02 . 1 . . . . . . . . 4393 1 262 . 1 1 56 56 GLN HA H 1 3.82 0.02 . 1 . . . . . . . . 4393 1 263 . 1 1 56 56 GLN C C 13 179.6 0.1 . 1 . . . . . . . . 4393 1 264 . 1 1 56 56 GLN CA C 13 59.2 0.1 . 1 . . . . . . . . 4393 1 265 . 1 1 56 56 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 4393 1 266 . 1 1 57 57 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 4393 1 267 . 1 1 57 57 VAL HA H 1 3.31 0.02 . 1 . . . . . . . . 4393 1 268 . 1 1 57 57 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 269 . 1 1 57 57 VAL CA C 13 66.3 0.1 . 1 . . . . . . . . 4393 1 270 . 1 1 57 57 VAL N N 15 118.8 0.1 . 1 . . . . . . . . 4393 1 271 . 1 1 58 58 PHE H H 1 7.68 0.02 . 1 . . . . . . . . 4393 1 272 . 1 1 58 58 PHE HA H 1 3.97 0.02 . 1 . . . . . . . . 4393 1 273 . 1 1 58 58 PHE C C 13 176.4 0.1 . 1 . . . . . . . . 4393 1 274 . 1 1 58 58 PHE CA C 13 61.4 0.1 . 1 . . . . . . . . 4393 1 275 . 1 1 58 58 PHE N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 276 . 1 1 59 59 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 4393 1 277 . 1 1 59 59 LYS HA H 1 3.43 0.02 . 9 . . . . . . . . 4393 1 278 . 1 1 59 59 LYS C C 13 178.7 0.1 . 1 . . . . . . . . 4393 1 279 . 1 1 59 59 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 4393 1 280 . 1 1 59 59 LYS N N 15 116.2 0.1 . 1 . . . . . . . . 4393 1 281 . 1 1 60 60 ARG H H 1 7.73 0.02 . 1 . . . . . . . . 4393 1 282 . 1 1 60 60 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4393 1 283 . 1 1 60 60 ARG C C 13 178.2 0.1 . 1 . . . . . . . . 4393 1 284 . 1 1 60 60 ARG CA C 13 58.7 0.1 . 1 . . . . . . . . 4393 1 285 . 1 1 60 60 ARG N N 15 120.0 0.1 . 1 . . . . . . . . 4393 1 286 . 1 1 61 61 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4393 1 287 . 1 1 61 61 ASP HA H 1 4.21 0.02 . 1 . . . . . . . . 4393 1 288 . 1 1 61 61 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 289 . 1 1 61 61 ASP CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 290 . 1 1 61 61 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 4393 1 291 . 1 1 62 62 ALA H H 1 8.59 0.02 . 1 . . . . . . . . 4393 1 292 . 1 1 62 62 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4393 1 293 . 1 1 62 62 ALA C C 13 179.9 0.1 . 1 . . . . . . . . 4393 1 294 . 1 1 62 62 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 4393 1 295 . 1 1 62 62 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4393 1 296 . 1 1 63 63 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4393 1 297 . 1 1 63 63 ASP HA H 1 4.13 0.02 . 1 . . . . . . . . 4393 1 298 . 1 1 63 63 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 299 . 1 1 63 63 ASP CA C 13 57.1 0.1 . 1 . . . . . . . . 4393 1 300 . 1 1 63 63 ASP N N 15 119.6 0.1 . 1 . . . . . . . . 4393 1 301 . 1 1 64 64 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 4393 1 302 . 1 1 64 64 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 4393 1 303 . 1 1 64 64 ASP C C 13 179.3 0.1 . 1 . . . . . . . . 4393 1 304 . 1 1 64 64 ASP CA C 13 57.4 0.1 . 1 . . . . . . . . 4393 1 305 . 1 1 64 64 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 4393 1 306 . 1 1 65 65 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 4393 1 307 . 1 1 65 65 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4393 1 308 . 1 1 65 65 LEU C C 13 178.7 0.1 . 1 . . . . . . . . 4393 1 309 . 1 1 65 65 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 4393 1 310 . 1 1 65 65 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 4393 1 311 . 1 1 66 66 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 4393 1 312 . 1 1 66 66 GLY HA2 H 1 4.20 0.02 . 1 . . . . . . . . 4393 1 313 . 1 1 66 66 GLY C C 13 175.1 0.1 . 1 . . . . . . . . 4393 1 314 . 1 1 66 66 GLY CA C 13 47.5 0.1 . 1 . . . . . . . . 4393 1 315 . 1 1 66 66 GLY N N 15 106.0 0.1 . 1 . . . . . . . . 4393 1 316 . 1 1 67 67 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4393 1 317 . 1 1 67 67 LYS HA H 1 3.91 0.02 . 9 . . . . . . . . 4393 1 318 . 1 1 67 67 LYS C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 319 . 1 1 67 67 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 4393 1 320 . 1 1 67 67 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 4393 1 321 . 1 1 68 68 TRP H H 1 7.96 0.02 . 1 . . . . . . . . 4393 1 322 . 1 1 68 68 TRP HA H 1 4.00 0.02 . 1 . . . . . . . . 4393 1 323 . 1 1 68 68 TRP C C 13 178.0 0.1 . 1 . . . . . . . . 4393 1 324 . 1 1 68 68 TRP CA C 13 62.1 0.1 . 1 . . . . . . . . 4393 1 325 . 1 1 68 68 TRP N N 15 120.9 0.1 . 1 . . . . . . . . 4393 1 326 . 1 1 69 69 ILE H H 1 8.92 0.02 . 1 . . . . . . . . 4393 1 327 . 1 1 69 69 ILE HA H 1 3.96 0.02 . 9 . . . . . . . . 4393 1 328 . 1 1 69 69 ILE C C 13 177.9 0.1 . 1 . . . . . . . . 4393 1 329 . 1 1 69 69 ILE CA C 13 65.8 0.1 . 1 . . . . . . . . 4393 1 330 . 1 1 69 69 ILE N N 15 117.5 0.1 . 1 . . . . . . . . 4393 1 331 . 1 1 70 70 MET H H 1 8.26 0.02 . 1 . . . . . . . . 4393 1 332 . 1 1 70 70 MET HA H 1 3.72 0.02 . 1 . . . . . . . . 4393 1 333 . 1 1 70 70 MET C C 13 178.0 0.1 . 1 . . . . . . . . 4393 1 334 . 1 1 70 70 MET CA C 13 58.8 0.1 . 1 . . . . . . . . 4393 1 335 . 1 1 70 70 MET N N 15 116.0 0.1 . 1 . . . . . . . . 4393 1 336 . 1 1 71 71 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4393 1 337 . 1 1 71 71 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 4393 1 338 . 1 1 71 71 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 339 . 1 1 71 71 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 4393 1 340 . 1 1 71 71 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 4393 1 341 . 1 1 72 72 LYS H H 1 7.54 0.02 . 1 . . . . . . . . 4393 1 342 . 1 1 72 72 LYS HA H 1 3.59 0.02 . 1 . . . . . . . . 4393 1 343 . 1 1 72 72 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 4393 1 344 . 1 1 72 72 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4393 1 345 . 1 1 72 72 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 4393 1 346 . 1 1 73 73 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4393 1 347 . 1 1 73 73 VAL HA H 1 3.68 0.02 . 1 . . . . . . . . 4393 1 348 . 1 1 73 73 VAL C C 13 178.2 0.1 . 1 . . . . . . . . 4393 1 349 . 1 1 73 73 VAL CA C 13 66.7 0.1 . 1 . . . . . . . . 4393 1 350 . 1 1 73 73 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 4393 1 351 . 1 1 74 74 ASN H H 1 7.88 0.02 . 1 . . . . . . . . 4393 1 352 . 1 1 74 74 ASN HA H 1 4.13 0.02 . 1 . . . . . . . . 4393 1 353 . 1 1 74 74 ASN C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 354 . 1 1 74 74 ASN CA C 13 56.1 0.1 . 1 . . . . . . . . 4393 1 355 . 1 1 74 74 ASN N N 15 118.2 0.1 . 1 . . . . . . . . 4393 1 356 . 1 1 75 75 ILE H H 1 7.51 0.02 . 1 . . . . . . . . 4393 1 357 . 1 1 75 75 ILE HA H 1 3.69 0.02 . 5 . . . . . . . . 4393 1 358 . 1 1 75 75 ILE C C 13 178.3 0.1 . 1 . . . . . . . . 4393 1 359 . 1 1 75 75 ILE CA C 13 64.4 0.1 . 1 . . . . . . . . 4393 1 360 . 1 1 75 75 ILE N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 361 . 1 1 76 76 LEU H H 1 7.94 0.02 . 1 . . . . . . . . 4393 1 362 . 1 1 76 76 LEU HA H 1 3.58 0.02 . 9 . . . . . . . . 4393 1 363 . 1 1 76 76 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 4393 1 364 . 1 1 76 76 LEU CA C 13 56.7 0.1 . 1 . . . . . . . . 4393 1 365 . 1 1 76 76 LEU N N 15 117.5 0.1 . 1 . . . . . . . . 4393 1 366 . 1 1 77 77 THR H H 1 7.52 0.02 . 1 . . . . . . . . 4393 1 367 . 1 1 77 77 THR HA H 1 4.12 0.02 . 1 . . . . . . . . 4393 1 368 . 1 1 77 77 THR C C 13 174.2 0.1 . 1 . . . . . . . . 4393 1 369 . 1 1 77 77 THR CA C 13 62.0 0.1 . 1 . . . . . . . . 4393 1 370 . 1 1 77 77 THR N N 15 106.5 0.1 . 1 . . . . . . . . 4393 1 371 . 1 1 78 78 ASP H H 1 7.22 0.02 . 1 . . . . . . . . 4393 1 372 . 1 1 78 78 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 4393 1 373 . 1 1 78 78 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 4393 1 374 . 1 1 78 78 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 4393 1 375 . 1 1 78 78 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 4393 1 376 . 1 1 79 79 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 4393 1 377 . 1 1 79 79 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 4393 1 378 . 1 1 79 79 LYS C C 13 177.5 0.1 . 1 . . . . . . . . 4393 1 379 . 1 1 79 79 LYS CA C 13 57.7 0.1 . 1 . . . . . . . . 4393 1 380 . 1 1 79 79 LYS N N 15 125.6 0.1 . 1 . . . . . . . . 4393 1 381 . 1 1 80 80 SER H H 1 8.66 0.02 . 1 . . . . . . . . 4393 1 382 . 1 1 80 80 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 4393 1 383 . 1 1 80 80 SER C C 13 175.0 0.1 . 1 . . . . . . . . 4393 1 384 . 1 1 80 80 SER CA C 13 59.4 0.1 . 1 . . . . . . . . 4393 1 385 . 1 1 80 80 SER N N 15 115.4 0.1 . 1 . . . . . . . . 4393 1 386 . 1 1 81 81 TYR H H 1 7.86 0.02 . 1 . . . . . . . . 4393 1 387 . 1 1 81 81 TYR HA H 1 4.07 0.02 . 1 . . . . . . . . 4393 1 388 . 1 1 81 81 TYR C C 13 176.0 0.1 . 1 . . . . . . . . 4393 1 389 . 1 1 81 81 TYR CA C 13 60.3 0.1 . 1 . . . . . . . . 4393 1 390 . 1 1 81 81 TYR N N 15 122.4 0.1 . 1 . . . . . . . . 4393 1 391 . 1 1 82 82 GLU H H 1 7.61 0.02 . 1 . . . . . . . . 4393 1 392 . 1 1 82 82 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4393 1 393 . 1 1 82 82 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 4393 1 394 . 1 1 82 82 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 4393 1 395 . 1 1 84 84 PRO HA H 1 4.27 0.02 . 1 . . . . . . . . 4393 1 396 . 1 1 84 84 PRO C C 13 177.3 0.1 . 1 . . . . . . . . 4393 1 397 . 1 1 84 84 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4393 1 398 . 1 1 85 85 THR H H 1 8.24 0.02 . 1 . . . . . . . . 4393 1 399 . 1 1 85 85 THR HA H 1 4.15 0.02 . 1 . . . . . . . . 4393 1 400 . 1 1 85 85 THR C C 13 174.5 0.1 . 1 . . . . . . . . 4393 1 401 . 1 1 85 85 THR CA C 13 62.5 0.1 . 1 . . . . . . . . 4393 1 402 . 1 1 85 85 THR N N 15 110.8 0.1 . 1 . . . . . . . . 4393 1 403 . 1 1 86 86 ASN H H 1 7.81 0.02 . 1 . . . . . . . . 4393 1 404 . 1 1 86 86 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4393 1 405 . 1 1 86 86 ASN C C 13 175.6 0.1 . 1 . . . . . . . . 4393 1 406 . 1 1 86 86 ASN CA C 13 52.4 0.1 . 1 . . . . . . . . 4393 1 407 . 1 1 86 86 ASN N N 15 119.8 0.1 . 1 . . . . . . . . 4393 1 408 . 1 1 87 87 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 4393 1 409 . 1 1 87 87 ILE HA H 1 3.87 0.02 . 1 . . . . . . . . 4393 1 410 . 1 1 87 87 ILE C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 411 . 1 1 87 87 ILE CA C 13 62.8 0.1 . 1 . . . . . . . . 4393 1 412 . 1 1 87 87 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 4393 1 413 . 1 1 88 88 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 4393 1 414 . 1 1 88 88 GLN HA H 1 4.13 0.02 . 1 . . . . . . . . 4393 1 415 . 1 1 88 88 GLN C C 13 177.5 0.1 . 1 . . . . . . . . 4393 1 416 . 1 1 88 88 GLN CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 417 . 1 1 88 88 GLN N N 15 120.3 0.1 . 1 . . . . . . . . 4393 1 418 . 1 1 89 89 GLY H H 1 8.04 0.02 . 1 . . . . . . . . 4393 1 419 . 1 1 89 89 GLY HA2 H 1 3.75 0.02 . 1 . . . . . . . . 4393 1 420 . 1 1 89 89 GLY C C 13 175.4 0.1 . 1 . . . . . . . . 4393 1 421 . 1 1 89 89 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 4393 1 422 . 1 1 89 89 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 4393 1 423 . 1 1 90 90 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 4393 1 424 . 1 1 90 90 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 4393 1 425 . 1 1 90 90 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 4393 1 426 . 1 1 90 90 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 4393 1 427 . 1 1 90 90 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 4393 1 428 . 1 1 91 91 TYR H H 1 8.21 0.02 . 1 . . . . . . . . 4393 1 429 . 1 1 91 91 TYR HA H 1 4.41 0.02 . 1 . . . . . . . . 4393 1 430 . 1 1 91 91 TYR C C 13 177.3 0.1 . 1 . . . . . . . . 4393 1 431 . 1 1 91 91 TYR CA C 13 60.5 0.1 . 1 . . . . . . . . 4393 1 432 . 1 1 91 91 TYR N N 15 119.5 0.1 . 1 . . . . . . . . 4393 1 433 . 1 1 92 92 GLN H H 1 8.17 0.02 . 1 . . . . . . . . 4393 1 434 . 1 1 92 92 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 4393 1 435 . 1 1 92 92 GLN C C 13 178.3 0.1 . 1 . . . . . . . . 4393 1 436 . 1 1 92 92 GLN CA C 13 58.0 0.1 . 1 . . . . . . . . 4393 1 437 . 1 1 92 92 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 4393 1 438 . 1 1 93 93 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 4393 1 439 . 1 1 93 93 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4393 1 440 . 1 1 93 93 LYS C C 13 178.2 0.1 . 1 . . . . . . . . 4393 1 441 . 1 1 93 93 LYS CA C 13 58.5 0.1 . 1 . . . . . . . . 4393 1 442 . 1 1 93 93 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 4393 1 443 . 1 1 94 94 HIS H H 1 8.09 0.02 . 1 . . . . . . . . 4393 1 444 . 1 1 94 94 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . 4393 1 445 . 1 1 94 94 HIS C C 13 176.6 0.1 . 1 . . . . . . . . 4393 1 446 . 1 1 94 94 HIS CA C 13 59.3 0.1 . 1 . . . . . . . . 4393 1 447 . 1 1 94 94 HIS N N 15 120.1 0.1 . 1 . . . . . . . . 4393 1 448 . 1 1 95 95 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 4393 1 449 . 1 1 95 95 GLN HA H 1 3.96 0.02 . 1 . . . . . . . . 4393 1 450 . 1 1 95 95 GLN C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 451 . 1 1 95 95 GLN CA C 13 58.1 0.1 . 1 . . . . . . . . 4393 1 452 . 1 1 95 95 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 4393 1 453 . 1 1 96 96 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4393 1 454 . 1 1 96 96 SER HA H 1 3.95 0.02 . 1 . . . . . . . . 4393 1 455 . 1 1 96 96 SER C C 13 176.1 0.1 . 1 . . . . . . . . 4393 1 456 . 1 1 96 96 SER CA C 13 60.7 0.1 . 1 . . . . . . . . 4393 1 457 . 1 1 96 96 SER N N 15 115.3 0.1 . 1 . . . . . . . . 4393 1 458 . 1 1 97 97 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 4393 1 459 . 1 1 97 97 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4393 1 460 . 1 1 97 97 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 4393 1 461 . 1 1 97 97 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4393 1 462 . 1 1 97 97 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 4393 1 463 . 1 1 98 98 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 4393 1 464 . 1 1 98 98 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 4393 1 465 . 1 1 98 98 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 466 . 1 1 98 98 GLU CA C 13 60.0 0.1 . 1 . . . . . . . . 4393 1 467 . 1 1 98 98 GLU N N 15 117.3 0.1 . 1 . . . . . . . . 4393 1 468 . 1 1 99 99 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 4393 1 469 . 1 1 99 99 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4393 1 470 . 1 1 99 99 ALA C C 13 180.5 0.1 . 1 . . . . . . . . 4393 1 471 . 1 1 99 99 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 4393 1 472 . 1 1 99 99 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 4393 1 473 . 1 1 100 100 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 4393 1 474 . 1 1 100 100 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4393 1 475 . 1 1 100 100 GLU C C 13 179.3 0.1 . 1 . . . . . . . . 4393 1 476 . 1 1 100 100 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 4393 1 477 . 1 1 100 100 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 4393 1 478 . 1 1 101 101 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 4393 1 479 . 1 1 101 101 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 4393 1 480 . 1 1 101 101 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 4393 1 481 . 1 1 101 101 VAL CA C 13 67.1 0.1 . 1 . . . . . . . . 4393 1 482 . 1 1 101 101 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 483 . 1 1 102 102 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 4393 1 484 . 1 1 102 102 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 4393 1 485 . 1 1 102 102 GLN C C 13 179.6 0.1 . 1 . . . . . . . . 4393 1 486 . 1 1 102 102 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 4393 1 487 . 1 1 102 102 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 4393 1 488 . 1 1 103 103 THR H H 1 7.94 0.02 . 1 . . . . . . . . 4393 1 489 . 1 1 103 103 THR HA H 1 3.80 0.02 . 1 . . . . . . . . 4393 1 490 . 1 1 103 103 THR C C 13 177.2 0.1 . 1 . . . . . . . . 4393 1 491 . 1 1 103 103 THR CA C 13 66.5 0.1 . 1 . . . . . . . . 4393 1 492 . 1 1 103 103 THR N N 15 116.7 0.1 . 1 . . . . . . . . 4393 1 493 . 1 1 104 104 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4393 1 494 . 1 1 104 104 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 4393 1 495 . 1 1 104 104 LYS C C 13 178.1 0.1 . 1 . . . . . . . . 4393 1 496 . 1 1 104 104 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4393 1 497 . 1 1 104 104 LYS N N 15 120.7 0.1 . 1 . . . . . . . . 4393 1 498 . 1 1 105 105 SER H H 1 8.72 0.02 . 1 . . . . . . . . 4393 1 499 . 1 1 105 105 SER HA H 1 3.50 0.02 . 1 . . . . . . . . 4393 1 500 . 1 1 105 105 SER C C 13 176.9 0.1 . 1 . . . . . . . . 4393 1 501 . 1 1 105 105 SER CA C 13 61.2 0.1 . 1 . . . . . . . . 4393 1 502 . 1 1 105 105 SER N N 15 116.8 0.1 . 1 . . . . . . . . 4393 1 503 . 1 1 106 106 ARG H H 1 7.13 0.02 . 1 . . . . . . . . 4393 1 504 . 1 1 106 106 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 505 . 1 1 106 106 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 4393 1 506 . 1 1 106 106 ARG CA C 13 58.5 0.1 . 1 . . . . . . . . 4393 1 507 . 1 1 106 106 ARG N N 15 120.4 0.1 . 1 . . . . . . . . 4393 1 508 . 1 1 107 107 LEU H H 1 6.98 0.02 . 1 . . . . . . . . 4393 1 509 . 1 1 107 107 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4393 1 510 . 1 1 107 107 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 511 . 1 1 107 107 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 4393 1 512 . 1 1 107 107 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 4393 1 513 . 1 1 108 108 MET H H 1 7.55 0.02 . 1 . . . . . . . . 4393 1 514 . 1 1 108 108 MET HA H 1 4.10 0.02 . 1 . . . . . . . . 4393 1 515 . 1 1 108 108 MET C C 13 177.4 0.1 . 1 . . . . . . . . 4393 1 516 . 1 1 108 108 MET CA C 13 57.4 0.1 . 1 . . . . . . . . 4393 1 517 . 1 1 108 108 MET N N 15 118.9 0.1 . 1 . . . . . . . . 4393 1 518 . 1 1 109 109 SER H H 1 7.65 0.02 . 1 . . . . . . . . 4393 1 519 . 1 1 109 109 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4393 1 520 . 1 1 109 109 SER C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 521 . 1 1 109 109 SER CA C 13 61.4 0.1 . 1 . . . . . . . . 4393 1 522 . 1 1 109 109 SER N N 15 112.6 0.1 . 1 . . . . . . . . 4393 1 523 . 1 1 110 110 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 4393 1 524 . 1 1 110 110 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 4393 1 525 . 1 1 110 110 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 4393 1 526 . 1 1 110 110 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 4393 1 527 . 1 1 110 110 GLU N N 15 122.1 0.1 . 1 . . . . . . . . 4393 1 528 . 1 1 111 111 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4393 1 529 . 1 1 111 111 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4393 1 530 . 1 1 111 111 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 4393 1 531 . 1 1 111 111 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4393 1 532 . 1 1 111 111 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4393 1 533 . 1 1 112 112 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 4393 1 534 . 1 1 112 112 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 535 . 1 1 112 112 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 4393 1 536 . 1 1 112 112 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 4393 1 537 . 1 1 113 113 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4393 1 538 . 1 1 113 113 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4393 1 539 . 1 1 113 113 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 4393 1 540 . 1 1 113 113 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 4393 1 541 . 1 1 113 113 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 4393 1 542 . 1 1 114 114 THR H H 1 8.56 0.02 . 1 . . . . . . . . 4393 1 543 . 1 1 114 114 THR HA H 1 3.77 0.02 . 1 . . . . . . . . 4393 1 544 . 1 1 114 114 THR C C 13 176.0 0.1 . 1 . . . . . . . . 4393 1 545 . 1 1 114 114 THR CA C 13 66.4 0.1 . 1 . . . . . . . . 4393 1 546 . 1 1 114 114 THR N N 15 116.2 0.1 . 1 . . . . . . . . 4393 1 547 . 1 1 115 115 ARG H H 1 8.19 0.02 . 1 . . . . . . . . 4393 1 548 . 1 1 115 115 ARG HA H 1 4.01 0.02 . 9 . . . . . . . . 4393 1 549 . 1 1 115 115 ARG C C 13 179.2 0.1 . 1 . . . . . . . . 4393 1 550 . 1 1 115 115 ARG CA C 13 61.0 0.1 . 1 . . . . . . . . 4393 1 551 . 1 1 115 115 ARG N N 15 122.7 0.1 . 1 . . . . . . . . 4393 1 552 . 1 1 116 116 GLU H H 1 7.60 0.02 . 1 . . . . . . . . 4393 1 553 . 1 1 116 116 GLU HA H 1 3.69 0.02 . 1 . . . . . . . . 4393 1 554 . 1 1 116 116 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4393 1 555 . 1 1 116 116 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 4393 1 556 . 1 1 116 116 GLU N N 15 115.6 0.1 . 1 . . . . . . . . 4393 1 557 . 1 1 117 117 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 4393 1 558 . 1 1 117 117 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 4393 1 559 . 1 1 117 117 GLU C C 13 177.7 0.1 . 1 . . . . . . . . 4393 1 560 . 1 1 117 117 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4393 1 561 . 1 1 117 117 GLU N N 15 114.6 0.1 . 1 . . . . . . . . 4393 1 562 . 1 1 118 118 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 4393 1 563 . 1 1 118 118 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 564 . 1 1 118 118 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 4393 1 565 . 1 1 118 118 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 4393 1 566 . 1 1 118 118 ARG N N 15 113.7 0.1 . 1 . . . . . . . . 4393 1 567 . 1 1 119 119 PHE H H 1 7.30 0.02 . 1 . . . . . . . . 4393 1 568 . 1 1 119 119 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 4393 1 569 . 1 1 119 119 PHE C C 13 175.9 0.1 . 1 . . . . . . . . 4393 1 570 . 1 1 119 119 PHE CA C 13 53.6 0.1 . 1 . . . . . . . . 4393 1 571 . 1 1 119 119 PHE N N 15 120.2 0.1 . 1 . . . . . . . . 4393 1 572 . 1 1 120 120 THR H H 1 7.42 0.02 . 1 . . . . . . . . 4393 1 573 . 1 1 120 120 THR HA H 1 4.11 0.02 . 1 . . . . . . . . 4393 1 574 . 1 1 120 120 THR C C 13 173.3 0.1 . 1 . . . . . . . . 4393 1 575 . 1 1 120 120 THR CA C 13 61.1 0.1 . 1 . . . . . . . . 4393 1 576 . 1 1 120 120 THR N N 15 113.2 0.1 . 1 . . . . . . . . 4393 1 577 . 1 1 121 121 MET H H 1 8.17 0.02 . 1 . . . . . . . . 4393 1 578 . 1 1 121 121 MET C C 13 176.2 0.1 . 1 . . . . . . . . 4393 1 579 . 1 1 121 121 MET CA C 13 57.8 0.1 . 1 . . . . . . . . 4393 1 580 . 1 1 121 121 MET N N 15 119.0 0.1 . 1 . . . . . . . . 4393 1 581 . 1 1 122 122 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 4393 1 582 . 1 1 122 122 GLY HA2 H 1 3.52 0.02 . 1 . . . . . . . . 4393 1 583 . 1 1 122 122 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 4393 1 584 . 1 1 122 122 GLY CA C 13 44.9 0.1 . 1 . . . . . . . . 4393 1 585 . 1 1 122 122 GLY N N 15 113.6 0.1 . 1 . . . . . . . . 4393 1 586 . 1 1 123 123 HIS H H 1 8.47 0.02 . 1 . . . . . . . . 4393 1 587 . 1 1 123 123 HIS HA H 1 4.34 0.02 . 1 . . . . . . . . 4393 1 588 . 1 1 123 123 HIS C C 13 178.2 0.1 . 1 . . . . . . . . 4393 1 589 . 1 1 123 123 HIS CA C 13 57.9 0.1 . 1 . . . . . . . . 4393 1 590 . 1 1 123 123 HIS N N 15 123.0 0.1 . 1 . . . . . . . . 4393 1 591 . 1 1 124 124 SER H H 1 8.79 0.02 . 1 . . . . . . . . 4393 1 592 . 1 1 124 124 SER CA C 13 61.7 0.1 . 1 . . . . . . . . 4393 1 593 . 1 1 124 124 SER N N 15 126.4 0.1 . 1 . . . . . . . . 4393 1 594 . 1 1 126 126 HIS H H 1 8.27 0.02 . 1 . . . . . . . . 4393 1 595 . 1 1 126 126 HIS HA H 1 3.85 0.02 . 9 . . . . . . . . 4393 1 596 . 1 1 126 126 HIS C C 13 175.4 0.1 . 1 . . . . . . . . 4393 1 597 . 1 1 126 126 HIS CA C 13 60.9 0.1 . 1 . . . . . . . . 4393 1 598 . 1 1 126 126 HIS N N 15 121.7 0.1 . 1 . . . . . . . . 4393 1 599 . 1 1 127 127 GLU H H 1 8.67 0.02 . 1 . . . . . . . . 4393 1 600 . 1 1 127 127 GLU HA H 1 3.62 0.02 . 1 . . . . . . . . 4393 1 601 . 1 1 127 127 GLU C C 13 179.8 0.1 . 1 . . . . . . . . 4393 1 602 . 1 1 127 127 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 4393 1 603 . 1 1 127 127 GLU N N 15 115.9 0.1 . 1 . . . . . . . . 4393 1 604 . 1 1 128 128 GLU H H 1 8.67 0.02 . 1 . . . . . . . . 4393 1 605 . 1 1 128 128 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 4393 1 606 . 1 1 128 128 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 4393 1 607 . 1 1 128 128 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 4393 1 608 . 1 1 128 128 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 609 . 1 1 129 129 THR H H 1 7.81 0.02 . 1 . . . . . . . . 4393 1 610 . 1 1 129 129 THR HA H 1 3.92 0.02 . 1 . . . . . . . . 4393 1 611 . 1 1 129 129 THR C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 612 . 1 1 129 129 THR CA C 13 65.5 0.1 . 1 . . . . . . . . 4393 1 613 . 1 1 129 129 THR N N 15 109.9 0.1 . 1 . . . . . . . . 4393 1 614 . 1 1 130 130 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 4393 1 615 . 1 1 130 130 LYS HA H 1 3.71 0.02 . 1 . . . . . . . . 4393 1 616 . 1 1 130 130 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 4393 1 617 . 1 1 130 130 LYS CA C 13 59.9 0.1 . 1 . . . . . . . . 4393 1 618 . 1 1 130 130 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 4393 1 619 . 1 1 131 131 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 4393 1 620 . 1 1 131 131 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4393 1 621 . 1 1 131 131 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 4393 1 622 . 1 1 131 131 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 4393 1 623 . 1 1 131 131 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 4393 1 624 . 1 1 132 132 HIS H H 1 7.83 0.02 . 1 . . . . . . . . 4393 1 625 . 1 1 132 132 HIS HA H 1 4.06 0.02 . 1 . . . . . . . . 4393 1 626 . 1 1 132 132 HIS C C 13 178.8 0.1 . 1 . . . . . . . . 4393 1 627 . 1 1 132 132 HIS CA C 13 59.7 0.1 . 1 . . . . . . . . 4393 1 628 . 1 1 132 132 HIS N N 15 116.0 0.1 . 1 . . . . . . . . 4393 1 629 . 1 1 133 133 ILE H H 1 7.90 0.02 . 1 . . . . . . . . 4393 1 630 . 1 1 133 133 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4393 1 631 . 1 1 133 133 ILE C C 13 177.1 0.1 . 1 . . . . . . . . 4393 1 632 . 1 1 133 133 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 4393 1 633 . 1 1 133 133 ILE N N 15 117.1 0.1 . 1 . . . . . . . . 4393 1 634 . 1 1 134 134 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4393 1 635 . 1 1 134 134 GLU HA H 1 3.69 0.02 . 1 . . . . . . . . 4393 1 636 . 1 1 134 134 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 637 . 1 1 134 134 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 4393 1 638 . 1 1 134 134 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 4393 1 639 . 1 1 135 135 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4393 1 640 . 1 1 135 135 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4393 1 641 . 1 1 135 135 GLU C C 13 180.8 0.1 . 1 . . . . . . . . 4393 1 642 . 1 1 135 135 GLU CA C 13 58.0 0.1 . 1 . . . . . . . . 4393 1 643 . 1 1 135 135 GLU N N 15 115.9 0.1 . 1 . . . . . . . . 4393 1 644 . 1 1 136 136 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 4393 1 645 . 1 1 136 136 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4393 1 646 . 1 1 136 136 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 4393 1 647 . 1 1 136 136 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 4393 1 648 . 1 1 136 136 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 4393 1 649 . 1 1 137 137 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 4393 1 650 . 1 1 137 137 ARG HA H 1 3.96 0.02 . 1 . . . . . . . . 4393 1 651 . 1 1 137 137 ARG C C 13 178.5 0.1 . 1 . . . . . . . . 4393 1 652 . 1 1 137 137 ARG CA C 13 58.8 0.1 . 1 . . . . . . . . 4393 1 653 . 1 1 137 137 ARG N N 15 118.7 0.1 . 1 . . . . . . . . 4393 1 654 . 1 1 138 138 HIS H H 1 7.43 0.02 . 1 . . . . . . . . 4393 1 655 . 1 1 138 138 HIS HA H 1 4.59 0.02 . 1 . . . . . . . . 4393 1 656 . 1 1 138 138 HIS C C 13 177.9 0.1 . 1 . . . . . . . . 4393 1 657 . 1 1 138 138 HIS CA C 13 58.2 0.1 . 1 . . . . . . . . 4393 1 658 . 1 1 138 138 HIS N N 15 114.6 0.1 . 1 . . . . . . . . 4393 1 659 . 1 1 139 139 LEU H H 1 7.41 0.02 . 1 . . . . . . . . 4393 1 660 . 1 1 139 139 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 4393 1 661 . 1 1 139 139 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 4393 1 662 . 1 1 139 139 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . 4393 1 663 . 1 1 139 139 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 4393 1 664 . 1 1 140 140 TRP H H 1 9.04 0.02 . 1 . . . . . . . . 4393 1 665 . 1 1 140 140 TRP HA H 1 3.99 0.02 . 1 . . . . . . . . 4393 1 666 . 1 1 140 140 TRP C C 13 177.0 0.1 . 1 . . . . . . . . 4393 1 667 . 1 1 140 140 TRP CA C 13 60.3 0.1 . 1 . . . . . . . . 4393 1 668 . 1 1 140 140 TRP N N 15 120.9 0.1 . 1 . . . . . . . . 4393 1 669 . 1 1 141 141 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 4393 1 670 . 1 1 141 141 ASP HA H 1 4.23 0.02 . 1 . . . . . . . . 4393 1 671 . 1 1 141 141 ASP C C 13 179.6 0.1 . 1 . . . . . . . . 4393 1 672 . 1 1 141 141 ASP CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 673 . 1 1 141 141 ASP N N 15 116.2 0.1 . 1 . . . . . . . . 4393 1 674 . 1 1 142 142 LEU H H 1 7.23 0.02 . 1 . . . . . . . . 4393 1 675 . 1 1 142 142 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4393 1 676 . 1 1 142 142 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 4393 1 677 . 1 1 142 142 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 4393 1 678 . 1 1 142 142 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 4393 1 679 . 1 1 143 143 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 4393 1 680 . 1 1 143 143 LEU HA H 1 3.60 0.02 . 9 . . . . . . . . 4393 1 681 . 1 1 143 143 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 4393 1 682 . 1 1 143 143 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 4393 1 683 . 1 1 143 143 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 4393 1 684 . 1 1 144 144 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 4393 1 685 . 1 1 144 144 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 4393 1 686 . 1 1 144 144 LEU C C 13 179.1 0.1 . 1 . . . . . . . . 4393 1 687 . 1 1 144 144 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4393 1 688 . 1 1 144 144 LEU N N 15 119.7 0.1 . 1 . . . . . . . . 4393 1 689 . 1 1 145 145 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 4393 1 690 . 1 1 145 145 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 4393 1 691 . 1 1 145 145 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 4393 1 692 . 1 1 145 145 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 4393 1 693 . 1 1 145 145 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 4393 1 694 . 1 1 146 146 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4393 1 695 . 1 1 146 146 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 4393 1 696 . 1 1 146 146 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 697 . 1 1 146 146 LEU CA C 13 60.0 0.1 . 1 . . . . . . . . 4393 1 698 . 1 1 146 146 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 4393 1 699 . 1 1 147 147 THR H H 1 8.37 0.02 . 1 . . . . . . . . 4393 1 700 . 1 1 147 147 THR HA H 1 3.63 0.02 . 1 . . . . . . . . 4393 1 701 . 1 1 147 147 THR C C 13 176.8 0.1 . 1 . . . . . . . . 4393 1 702 . 1 1 147 147 THR CA C 13 66.9 0.1 . 1 . . . . . . . . 4393 1 703 . 1 1 147 147 THR N N 15 115.2 0.1 . 1 . . . . . . . . 4393 1 704 . 1 1 148 148 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 4393 1 705 . 1 1 148 148 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 4393 1 706 . 1 1 148 148 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4393 1 707 . 1 1 148 148 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 708 . 1 1 148 148 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 4393 1 709 . 1 1 149 149 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 4393 1 710 . 1 1 149 149 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4393 1 711 . 1 1 149 149 GLU C C 13 178.4 0.1 . 1 . . . . . . . . 4393 1 712 . 1 1 149 149 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 4393 1 713 . 1 1 149 149 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 4393 1 714 . 1 1 150 150 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4393 1 715 . 1 1 150 150 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . 4393 1 716 . 1 1 150 150 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 4393 1 717 . 1 1 150 150 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 4393 1 718 . 1 1 150 150 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 4393 1 719 . 1 1 151 151 GLY H H 1 7.87 0.02 . 1 . . . . . . . . 4393 1 720 . 1 1 151 151 GLY HA2 H 1 4.08 0.02 . 1 . . . . . . . . 4393 1 721 . 1 1 151 151 GLY C C 13 175.5 0.1 . 1 . . . . . . . . 4393 1 722 . 1 1 151 151 GLY CA C 13 46.0 0.1 . 1 . . . . . . . . 4393 1 723 . 1 1 151 151 GLY N N 15 107.2 0.1 . 1 . . . . . . . . 4393 1 724 . 1 1 152 152 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 4393 1 725 . 1 1 152 152 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . 4393 1 726 . 1 1 152 152 ASP C C 13 177.8 0.1 . 1 . . . . . . . . 4393 1 727 . 1 1 152 152 ASP CA C 13 55.7 0.1 . 1 . . . . . . . . 4393 1 728 . 1 1 152 152 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 4393 1 729 . 1 1 153 153 GLN H H 1 7.80 0.02 . 1 . . . . . . . . 4393 1 730 . 1 1 153 153 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 4393 1 731 . 1 1 153 153 GLN C C 13 176.8 0.1 . 1 . . . . . . . . 4393 1 732 . 1 1 153 153 GLN CA C 13 56.5 0.1 . 1 . . . . . . . . 4393 1 733 . 1 1 153 153 GLN N N 15 117.4 0.1 . 1 . . . . . . . . 4393 1 734 . 1 1 154 154 LEU H H 1 7.56 0.02 . 1 . . . . . . . . 4393 1 735 . 1 1 154 154 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4393 1 736 . 1 1 154 154 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 4393 1 737 . 1 1 154 154 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4393 1 738 . 1 1 154 154 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 4393 1 739 . 1 1 155 155 LEU H H 1 7.61 0.02 . 1 . . . . . . . . 4393 1 740 . 1 1 155 155 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 4393 1 741 . 1 1 155 155 LEU C C 13 176.2 0.1 . 1 . . . . . . . . 4393 1 742 . 1 1 155 155 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 4393 1 743 . 1 1 155 155 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 4393 1 744 . 1 1 156 156 ARG H H 1 7.51 0.02 . 1 . . . . . . . . 4393 1 745 . 1 1 156 156 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 4393 1 746 . 1 1 156 156 ARG C C 13 175.6 0.1 . 1 . . . . . . . . 4393 1 747 . 1 1 156 156 ARG CA C 13 57.2 0.1 . 1 . . . . . . . . 4393 1 748 . 1 1 156 156 ARG N N 15 125.5 0.1 . 1 . . . . . . . . 4393 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 4393 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4393 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 GLU H . . . . 1 1 2 2 GLU HA . . . 6.6 . . 1.5 . . . . . . . . . . . 4393 1 2 3JHNHA . 1 1 3 3 GLN H . . . . 1 1 3 3 GLN HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4393 1 3 3JHNHA . 1 1 4 4 PHE H . . . . 1 1 4 4 PHE HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4393 1 4 3JHNHA . 1 1 6 6 LYS H . . . . 1 1 6 6 LYS HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4393 1 5 3JHNHA . 1 1 8 8 THR H . . . . 1 1 8 8 THR HA . . . 6.6 . . 1.5 . . . . . . . . . . . 4393 1 6 3JHNHA . 1 1 9 9 VAL H . . . . 1 1 9 9 VAL HA . . . 7.6 . . 1.5 . . . . . . . . . . . 4393 1 7 3JHNHA . 1 1 10 10 VAL H . . . . 1 1 10 10 VAL HA . . . 6.5 . . 1.5 . . . . . . . . . . . 4393 1 8 3JHNHA . 1 1 11 11 GLU H . . . . 1 1 11 11 GLU HA . . . 6.5 . . 1.5 . . . . . . . . . . . 4393 1 9 3JHNHA . 1 1 12 12 SER H . . . . 1 1 12 12 SER HA . . . 6.6 . . 1.5 . . . . . . . . . . . 4393 1 10 3JHNHA . 1 1 13 13 SER H . . . . 1 1 13 13 SER HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4393 1 11 3JHNHA . 1 1 16 16 LYS H . . . . 1 1 16 16 LYS HA . . . 6.4 . . 1.5 . . . . . . . . . . . 4393 1 12 3JHNHA . 1 1 17 17 VAL H . . . . 1 1 17 17 VAL HA . . . 6.1 . . 1.5 . . . . . . . . . . . 4393 1 13 3JHNHA . 1 1 18 18 LEU H . . . . 1 1 18 18 LEU HA . . . 6.1 . . 1.5 . . . . . . . . . . . 4393 1 14 3JHNHA . 1 1 35 35 TYR H . . . . 1 1 35 35 TYR HA . . . 2.8 . . 1.5 . . . . . . . . . . . 4393 1 15 3JHNHA . 1 1 23 23 GLU H . . . . 1 1 23 23 GLU HA . . . 2.8 . . 1.5 . . . . . . . . . . . 4393 1 16 3JHNHA . 1 1 25 25 GLN H . . . . 1 1 25 25 GLN HA . . . 3.5 . . 1.5 . . . . . . . . . . . 4393 1 17 3JHNHA . 1 1 29 29 GLN H . . . . 1 1 29 29 GLN HA . . . 3.6 . . 1.5 . . . . . . . . . . . 4393 1 18 3JHNHA . 1 1 31 31 VAL H . . . . 1 1 31 31 VAL HA . . . 2.7 . . 1.5 . . . . . . . . . . . 4393 1 19 3JHNHA . 1 1 32 32 LEU H . . . . 1 1 32 32 LEU HA . . . 3.7 . . 1.5 . . . . . . . . . . . 4393 1 20 3JHNHA . 1 1 37 37 SER H . . . . 1 1 37 37 SER HA . . . 4.9 . . 1.5 . . . . . . . . . . . 4393 1 21 3JHNHA . 1 1 40 40 GLU H . . . . 1 1 40 40 GLU HA . . . 3.7 . . 1.5 . . . . . . . . . . . 4393 1 22 3JHNHA . 1 1 43 43 ALA H . . . . 1 1 43 43 ALA HA . . . 3.9 . . 1.5 . . . . . . . . . . . 4393 1 23 3JHNHA . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU HA . . . 2.5 . . 1.5 . . . . . . . . . . . 4393 1 24 3JHNHA . 1 1 45 45 ARG H . . . . 1 1 45 45 ARG HA . . . 2.9 . . 1.5 . . . . . . . . . . . 4393 1 25 3JHNHA . 1 1 47 47 GLN H . . . . 1 1 47 47 GLN HA . . . 6.1 . . 1.5 . . . . . . . . . . . 4393 1 26 3JHNHA . 1 1 48 48 LYS H . . . . 1 1 48 48 LYS HA . . . 7.2 . . 1.5 . . . . . . . . . . . 4393 1 27 3JHNHA . 1 1 49 49 LEU H . . . . 1 1 49 49 LEU HA . . . 6.5 . . 1.5 . . . . . . . . . . . 4393 1 28 3JHNHA . 1 1 50 50 GLU H . . . . 1 1 50 50 GLU HA . . . 5.0 . . 1.5 . . . . . . . . . . . 4393 1 29 3JHNHA . 1 1 51 51 ASP H . . . . 1 1 51 51 ASP HA . . . 7.5 . . 1.5 . . . . . . . . . . . 4393 1 30 3JHNHA . 1 1 52 52 SER H . . . . 1 1 52 52 SER HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4393 1 31 3JHNHA . 1 1 54 54 HIS H . . . . 1 1 54 54 HIS HA . . . 3.9 . . 1.5 . . . . . . . . . . . 4393 1 32 3JHNHA . 1 1 57 57 VAL H . . . . 1 1 57 57 VAL HA . . . 3.5 . . 1.5 . . . . . . . . . . . 4393 1 33 3JHNHA . 1 1 59 59 LYS H . . . . 1 1 59 59 LYS HA . . . 4.6 . . 1.5 . . . . . . . . . . . 4393 1 34 3JHNHA . 1 1 60 60 ARG H . . . . 1 1 60 60 ARG HA . . . 4.6 . . 1.5 . . . . . . . . . . . 4393 1 35 3JHNHA . 1 1 61 61 ASP H . . . . 1 1 61 61 ASP HA . . . 4.4 . . 1.5 . . . . . . . . . . . 4393 1 36 3JHNHA . 1 1 62 62 ALA H . . . . 1 1 62 62 ALA HA . . . 3.3 . . 1.5 . . . . . . . . . . . 4393 1 37 3JHNHA . 1 1 64 64 ASP H . . . . 1 1 64 64 ASP HA . . . 4.0 . . 1.5 . . . . . . . . . . . 4393 1 38 3JHNHA . 1 1 65 65 LEU H . . . . 1 1 65 65 LEU HA . . . 4.1 . . 1.5 . . . . . . . . . . . 4393 1 39 3JHNHA . 1 1 67 67 LYS H . . . . 1 1 67 67 LYS HA . . . 3.0 . . 1.5 . . . . . . . . . . . 4393 1 40 3JHNHA . 1 1 68 68 TRP H . . . . 1 1 68 68 TRP HA . . . 3.2 . . 1.5 . . . . . . . . . . . 4393 1 41 3JHNHA . 1 1 70 70 MET H . . . . 1 1 70 70 MET HA . . . 4.3 . . 1.5 . . . . . . . . . . . 4393 1 42 3JHNHA . 1 1 71 71 GLU H . . . . 1 1 71 71 GLU HA . . . 4.9 . . 1.5 . . . . . . . . . . . 4393 1 43 3JHNHA . 1 1 72 72 LYS H . . . . 1 1 72 72 LYS HA . . . 3.3 . . 1.5 . . . . . . . . . . . 4393 1 44 3JHNHA . 1 1 74 74 ASN H . . . . 1 1 74 74 ASN HA . . . 4.4 . . 1.5 . . . . . . . . . . . 4393 1 45 3JHNHA . 1 1 75 75 ILE H . . . . 1 1 75 75 ILE HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 46 3JHNHA . 1 1 77 77 THR H . . . . 1 1 77 77 THR HA . . . 3.2 . . 1.5 . . . . . . . . . . . 4393 1 47 3JHNHA . 1 1 78 78 ASP H . . . . 1 1 78 78 ASP HA . . . 2.9 . . 1.5 . . . . . . . . . . . 4393 1 48 3JHNHA . 1 1 79 79 LYS H . . . . 1 1 79 79 LYS HA . . . 4.1 . . 1.5 . . . . . . . . . . . 4393 1 49 3JHNHA . 1 1 80 80 SER H . . . . 1 1 80 80 SER HA . . . 2.9 . . 1.5 . . . . . . . . . . . 4393 1 50 3JHNHA . 1 1 81 81 TYR H . . . . 1 1 81 81 TYR HA . . . 2.7 . . 1.5 . . . . . . . . . . . 4393 1 51 3JHNHA . 1 1 85 85 THR H . . . . 1 1 85 85 THR HA . . . 7.4 . . 1.5 . . . . . . . . . . . 4393 1 52 3JHNHA . 1 1 86 86 ASN H . . . . 1 1 86 86 ASN HA . . . 7.1 . . 1.5 . . . . . . . . . . . 4393 1 53 3JHNHA . 1 1 87 87 ILE H . . . . 1 1 87 87 ILE HA . . . 6.6 . . 1.5 . . . . . . . . . . . 4393 1 54 3JHNHA . 1 1 88 88 GLN H . . . . 1 1 88 88 GLN HA . . . 4.0 . . 1.5 . . . . . . . . . . . 4393 1 55 3JHNHA . 1 1 89 89 GLY H . . . . 1 1 89 89 GLY HA . . . 6.4 . . 1.5 . . . . . . . . . . . 4393 1 56 3JHNHA . 1 1 90 90 LYS H . . . . 1 1 90 90 LYS HA . . . 4.3 . . 1.5 . . . . . . . . . . . 4393 1 57 3JHNHA . 1 1 91 91 TYR H . . . . 1 1 91 91 TYR HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4393 1 58 3JHNHA . 1 1 93 93 LYS H . . . . 1 1 93 93 LYS HA . . . 3.0 . . 1.5 . . . . . . . . . . . 4393 1 59 3JHNHA . 1 1 95 95 GLN H . . . . 1 1 95 95 GLN HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 60 3JHNHA . 1 1 96 96 SER H . . . . 1 1 96 96 SER HA . . . 3.0 . . 1.5 . . . . . . . . . . . 4393 1 61 3JHNHA . 1 1 98 98 GLU H . . . . 1 1 98 98 GLU HA . . . 3.6 . . 1.5 . . . . . . . . . . . 4393 1 62 3JHNHA . 1 1 99 99 ALA H . . . . 1 1 99 99 ALA HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4393 1 63 3JHNHA . 1 1 101 101 VAL H . . . . 1 1 101 101 VAL HA . . . 3.1 . . 1.5 . . . . . . . . . . . 4393 1 64 3JHNHA . 1 1 102 102 GLN H . . . . 1 1 102 102 GLN HA . . . 4.4 . . 1.5 . . . . . . . . . . . 4393 1 65 3JHNHA . 1 1 104 104 LYS H . . . . 1 1 104 104 LYS HA . . . 3.6 . . 1.5 . . . . . . . . . . . 4393 1 66 3JHNHA . 1 1 105 105 SER H . . . . 1 1 105 105 SER HA . . . 3.0 . . 1.5 . . . . . . . . . . . 4393 1 67 3JHNHA . 1 1 107 107 LEU H . . . . 1 1 107 107 LEU HA . . . 2.8 . . 1.5 . . . . . . . . . . . 4393 1 68 3JHNHA . 1 1 108 108 MET H . . . . 1 1 108 108 MET HA . . . 4.8 . . 1.5 . . . . . . . . . . . 4393 1 69 3JHNHA . 1 1 109 109 SER H . . . . 1 1 109 109 SER HA . . . 3.2 . . 1.5 . . . . . . . . . . . 4393 1 70 3JHNHA . 1 1 111 111 LEU H . . . . 1 1 111 111 LEU HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 71 3JHNHA . 1 1 113 113 LYS H . . . . 1 1 113 113 LYS HA . . . 3.0 . . 1.5 . . . . . . . . . . . 4393 1 72 3JHNHA . 1 1 114 114 THR H . . . . 1 1 114 114 THR HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 73 3JHNHA . 1 1 115 115 ARG H . . . . 1 1 115 115 ARG HA . . . 2.9 . . 1.5 . . . . . . . . . . . 4393 1 74 3JHNHA . 1 1 117 117 GLU H . . . . 1 1 117 117 GLU HA . . . 3.5 . . 1.5 . . . . . . . . . . . 4393 1 75 3JHNHA . 1 1 119 119 PHE H . . . . 1 1 119 119 PHE HA . . . 7.4 . . 1.5 . . . . . . . . . . . 4393 1 76 3JHNHA . 1 1 120 120 THR H . . . . 1 1 120 120 THR HA . . . 6.9 . . 1.5 . . . . . . . . . . . 4393 1 77 3JHNHA . 1 1 121 121 MET H . . . . 1 1 121 121 MET HA . . . 7.7 . . 1.5 . . . . . . . . . . . 4393 1 78 3JHNHA . 1 1 123 123 HIS H . . . . 1 1 123 123 HIS HA . . . 5.4 . . 1.5 . . . . . . . . . . . 4393 1 79 3JHNHA . 1 1 126 126 HIS H . . . . 1 1 126 126 HIS HA . . . 4.7 . . 1.5 . . . . . . . . . . . 4393 1 80 3JHNHA . 1 1 127 127 GLU H . . . . 1 1 127 127 GLU HA . . . 4.1 . . 1.5 . . . . . . . . . . . 4393 1 81 3JHNHA . 1 1 130 130 LYS H . . . . 1 1 130 130 LYS HA . . . 2.5 . . 1.5 . . . . . . . . . . . 4393 1 82 3JHNHA . 1 1 132 132 HIS H . . . . 1 1 132 132 HIS HA . . . 3.2 . . 1.5 . . . . . . . . . . . 4393 1 83 3JHNHA . 1 1 134 134 GLU H . . . . 1 1 134 134 GLU HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4393 1 84 3JHNHA . 1 1 137 137 ARG H . . . . 1 1 137 137 ARG HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4393 1 85 3JHNHA . 1 1 138 138 HIS H . . . . 1 1 138 138 HIS HA . . . 5.1 . . 1.5 . . . . . . . . . . . 4393 1 86 3JHNHA . 1 1 141 141 ASP H . . . . 1 1 141 141 ASP HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 87 3JHNHA . 1 1 142 142 LEU H . . . . 1 1 142 142 LEU HA . . . 3.8 . . 1.5 . . . . . . . . . . . 4393 1 88 3JHNHA . 1 1 145 145 GLU H . . . . 1 1 145 145 GLU HA . . . 3.1 . . 1.5 . . . . . . . . . . . 4393 1 89 3JHNHA . 1 1 146 146 LEU H . . . . 1 1 146 146 LEU HA . . . 3.1 . . 1.5 . . . . . . . . . . . 4393 1 90 3JHNHA . 1 1 148 148 LEU H . . . . 1 1 148 148 LEU HA . . . 3.4 . . 1.5 . . . . . . . . . . . 4393 1 91 3JHNHA . 1 1 149 149 GLU H . . . . 1 1 149 149 GLU HA . . . 3.2 . . 1.5 . . . . . . . . . . . 4393 1 92 3JHNHA . 1 1 152 152 ASP H . . . . 1 1 152 152 ASP HA . . . 4.0 . . 1.5 . . . . . . . . . . . 4393 1 93 3JHNHA . 1 1 153 153 GLN H . . . . 1 1 153 153 GLN HA . . . 4.5 . . 1.5 . . . . . . . . . . . 4393 1 94 3JHNHA . 1 1 154 154 LEU H . . . . 1 1 154 154 LEU HA . . . 4.0 . . 1.5 . . . . . . . . . . . 4393 1 95 3JHNHA . 1 1 155 155 LEU H . . . . 1 1 155 155 LEU HA . . . 5.1 . . 1.5 . . . . . . . . . . . 4393 1 96 3JHNHA . 1 1 156 156 ARG H . . . . 1 1 156 156 ARG HA . . . 8.0 . . 1.5 . . . . . . . . . . . 4393 1 stop_ save_