data_7223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7223 _Entry.Title ; Solution NMR structure of the C-terminal domain of the interferon alpha-inducible ISG15 protein from Homo sapiens. Northeast Structural Genomics target HR2873B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-14 _Entry.Accession_date 2006-07-26 _Entry.Last_release_date 2009-05-28 _Entry.Original_release_date 2009-05-28 _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. Aramini . M. . 7223 2 C. Ho . K. . 7223 3 C. Yin . . . 7223 4 K. Cunningham . . . 7223 5 H. Janjua . . . 7223 6 L.-C. Ma . . . 7223 7 R. Xiao . . . 7223 8 T. Acton . B. . 7223 9 G. Montelione . T. . 7223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7223 coupling_constants 1 7223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 7223 '15N chemical shifts' 86 7223 '1H chemical shifts' 605 7223 'coupling constants' 57 7223 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 . . 2009-05-28 2006-07-14 original author . 7223 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HJ8 'BMRB Entry Tracking System' 7223 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7223 _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 ; Solution NMR structure of the C-terminal domain of the interferon alpha-inducible ISG15 protein from Homo sapiens. Northeast Structural Genomics target HR2873B. ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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. Aramini . M. . 7223 1 2 C. Ho . K. . 7223 1 3 C. Yin . . . 7223 1 4 K. Cunningham . . . 7223 1 5 H. Janjua . . . 7223 1 6 M.-C. Li . . . 7223 1 7 R. Xiao . . . 7223 1 8 T. Acton . B. . 7223 1 9 G. Montelione . T. . 7223 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HR2873B 7223 1 'human ISG15' 7223 1 NESG 7223 1 'NMR structure' 7223 1 'Northeast Structural Genomics Consortium' 7223 1 'Protein Structure Initiative' 7223 1 PSI-1 7223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7223 _Assembly.ID 1 _Assembly.Name 'Interferon, alpha-inducible protein' _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 7223 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 'Interferon-induced 17 kDa protein' 1 $kDa . . . native . . . . . 7223 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HJ8 . . . . . . 7223 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Interferon, alpha-inducible protein' abbreviation 7223 1 'Interferon, alpha-inducible protein' system 7223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_kDa _Entity.Sf_category entity _Entity.Sf_framecode kDa _Entity.Entry_ID 7223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Interferon-induced 17 kDa protein' _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 ; MDEPLSILVRNNKGRSSTYE VRLTQTVAHLKQQVSGLEGV QDDLFWLTFEGKPLEDQLPL GEYGLKPLSTVFMNLRLRGG LEHHHHHH ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5658 . ISG15 . . . . . 90.91 164 98.75 98.75 1.92e-48 . . . . 7223 1 2 no PDB 1Z2M . "Crystal Structure Of Isg15, The Interferon-Induced Ubiquitin Cross Reactive Protein" . . . . . 87.50 155 100.00 100.00 3.07e-47 . . . . 7223 1 3 no PDB 2HJ8 . "Solution Nmr Structure Of The C-Terminal Domain Of The Interferon Alpha-Inducible Isg15 Protein From Homo Sapiens. Northeast St" . . . . . 100.00 88 100.00 100.00 3.39e-56 . . . . 7223 1 4 no PDB 3PHX . "Otu Domain Of Crimean Congo Hemorrhagic Fever Virus In Complex With Isg15" . . . . . 89.77 79 100.00 100.00 3.65e-49 . . . . 7223 1 5 no PDB 3PSE . "Structure Of A Viral Otu Domain Protease Bound To Interferon- Stimulated Gene 15 (Isg15)" . . . . . 88.64 156 98.72 100.00 1.88e-47 . . . . 7223 1 6 no PDB 3R66 . "Crystal Structure Of Human Isg15 In Complex With Ns1 N-terminal Region From Influenza Virus B, Northeast Structural Genomics Co" . . . . . 89.77 164 100.00 100.00 1.94e-48 . . . . 7223 1 7 no PDB 3RT3 . "Complex Of Influenza Virus Protein With Host Anti-Viral Factor" . . . . . 89.77 159 100.00 100.00 8.83e-49 . . . . 7223 1 8 no PDB 3SDL . "Crystal Structure Of Human Isg15 In Complex With Ns1 N-Terminal Region From Influenza B Virus, Northeast Structural Genomics Co" . . . . . 90.91 164 98.75 98.75 1.92e-48 . . . . 7223 1 9 no DBJ BAJ20347 . "ISG15 ubiquitin-like modifier [synthetic construct]" . . . . . 89.77 165 98.73 100.00 4.92e-48 . . . . 7223 1 10 no GB AAA36038 . "17-kDa protein [Homo sapiens]" . . . . . 89.77 165 100.00 100.00 1.27e-48 . . . . 7223 1 11 no GB AAA36128 . "15-kDa protein, partial [Homo sapiens]" . . . . . 89.77 165 100.00 100.00 1.40e-48 . . . . 7223 1 12 no GB AAH09507 . "ISG15 ubiquitin-like modifier [Homo sapiens]" . . . . . 89.77 165 98.73 100.00 4.92e-48 . . . . 7223 1 13 no GB AAN86983 . "ubiquitin-like protein ISG15 [Homo sapiens]" . . . . . 89.77 165 98.73 100.00 4.92e-48 . . . . 7223 1 14 no GB AAP35961 . "interferon, alpha-inducible protein (clone IFI-15K) [Homo sapiens]" . . . . . 89.77 165 98.73 100.00 4.92e-48 . . . . 7223 1 15 no REF NP_005092 . "ubiquitin-like protein ISG15 precursor [Homo sapiens]" . . . . . 89.77 165 100.00 100.00 1.27e-48 . . . . 7223 1 16 no REF XP_003806031 . "PREDICTED: ubiquitin-like protein ISG15 [Pan paniscus]" . . . . . 89.77 165 98.73 100.00 5.42e-48 . . . . 7223 1 17 no REF XP_004024480 . "PREDICTED: ubiquitin-like protein ISG15 [Gorilla gorilla gorilla]" . . . . . 89.77 165 97.47 98.73 7.47e-47 . . . . 7223 1 18 no REF XP_009452953 . "PREDICTED: ubiquitin-like protein ISG15 [Pan troglodytes]" . . . . . 89.77 165 98.73 100.00 5.48e-48 . . . . 7223 1 19 no REF XP_520842 . "PREDICTED: ubiquitin-like protein ISG15 [Pan troglodytes]" . . . . . 89.77 165 98.73 100.00 5.48e-48 . . . . 7223 1 20 no SP P05161 . "RecName: Full=Ubiquitin-like protein ISG15; AltName: Full=Interferon-induced 15 kDa protein; AltName: Full=Interferon-induced 1" . . . . . 89.77 165 100.00 100.00 1.27e-48 . . . . 7223 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Interferon-induced 17 kDa protein' abbreviation 7223 1 'Interferon-induced 17 kDa protein' common 7223 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 85 MET . 7223 1 2 86 ASP . 7223 1 3 87 GLU . 7223 1 4 88 PRO . 7223 1 5 89 LEU . 7223 1 6 90 SER . 7223 1 7 91 ILE . 7223 1 8 92 LEU . 7223 1 9 93 VAL . 7223 1 10 94 ARG . 7223 1 11 95 ASN . 7223 1 12 96 ASN . 7223 1 13 97 LYS . 7223 1 14 98 GLY . 7223 1 15 99 ARG . 7223 1 16 100 SER . 7223 1 17 101 SER . 7223 1 18 102 THR . 7223 1 19 103 TYR . 7223 1 20 104 GLU . 7223 1 21 105 VAL . 7223 1 22 106 ARG . 7223 1 23 107 LEU . 7223 1 24 108 THR . 7223 1 25 109 GLN . 7223 1 26 110 THR . 7223 1 27 111 VAL . 7223 1 28 112 ALA . 7223 1 29 113 HIS . 7223 1 30 114 LEU . 7223 1 31 115 LYS . 7223 1 32 116 GLN . 7223 1 33 117 GLN . 7223 1 34 118 VAL . 7223 1 35 119 SER . 7223 1 36 120 GLY . 7223 1 37 121 LEU . 7223 1 38 122 GLU . 7223 1 39 123 GLY . 7223 1 40 124 VAL . 7223 1 41 125 GLN . 7223 1 42 126 ASP . 7223 1 43 127 ASP . 7223 1 44 128 LEU . 7223 1 45 129 PHE . 7223 1 46 130 TRP . 7223 1 47 131 LEU . 7223 1 48 132 THR . 7223 1 49 133 PHE . 7223 1 50 134 GLU . 7223 1 51 135 GLY . 7223 1 52 136 LYS . 7223 1 53 137 PRO . 7223 1 54 138 LEU . 7223 1 55 139 GLU . 7223 1 56 140 ASP . 7223 1 57 141 GLN . 7223 1 58 142 LEU . 7223 1 59 143 PRO . 7223 1 60 144 LEU . 7223 1 61 145 GLY . 7223 1 62 146 GLU . 7223 1 63 147 TYR . 7223 1 64 148 GLY . 7223 1 65 149 LEU . 7223 1 66 150 LYS . 7223 1 67 151 PRO . 7223 1 68 152 LEU . 7223 1 69 153 SER . 7223 1 70 154 THR . 7223 1 71 155 VAL . 7223 1 72 156 PHE . 7223 1 73 157 MET . 7223 1 74 158 ASN . 7223 1 75 159 LEU . 7223 1 76 160 ARG . 7223 1 77 161 LEU . 7223 1 78 162 ARG . 7223 1 79 163 GLY . 7223 1 80 164 GLY . 7223 1 81 165 LEU . 7223 1 82 166 GLU . 7223 1 83 167 HIS . 7223 1 84 168 HIS . 7223 1 85 169 HIS . 7223 1 86 170 HIS . 7223 1 87 171 HIS . 7223 1 88 172 HIS . 7223 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 7223 1 . ASP 2 2 7223 1 . GLU 3 3 7223 1 . PRO 4 4 7223 1 . LEU 5 5 7223 1 . SER 6 6 7223 1 . ILE 7 7 7223 1 . LEU 8 8 7223 1 . VAL 9 9 7223 1 . ARG 10 10 7223 1 . ASN 11 11 7223 1 . ASN 12 12 7223 1 . LYS 13 13 7223 1 . GLY 14 14 7223 1 . ARG 15 15 7223 1 . SER 16 16 7223 1 . SER 17 17 7223 1 . THR 18 18 7223 1 . TYR 19 19 7223 1 . GLU 20 20 7223 1 . VAL 21 21 7223 1 . ARG 22 22 7223 1 . LEU 23 23 7223 1 . THR 24 24 7223 1 . GLN 25 25 7223 1 . THR 26 26 7223 1 . VAL 27 27 7223 1 . ALA 28 28 7223 1 . HIS 29 29 7223 1 . LEU 30 30 7223 1 . LYS 31 31 7223 1 . GLN 32 32 7223 1 . GLN 33 33 7223 1 . VAL 34 34 7223 1 . SER 35 35 7223 1 . GLY 36 36 7223 1 . LEU 37 37 7223 1 . GLU 38 38 7223 1 . GLY 39 39 7223 1 . VAL 40 40 7223 1 . GLN 41 41 7223 1 . ASP 42 42 7223 1 . ASP 43 43 7223 1 . LEU 44 44 7223 1 . PHE 45 45 7223 1 . TRP 46 46 7223 1 . LEU 47 47 7223 1 . THR 48 48 7223 1 . PHE 49 49 7223 1 . GLU 50 50 7223 1 . GLY 51 51 7223 1 . LYS 52 52 7223 1 . PRO 53 53 7223 1 . LEU 54 54 7223 1 . GLU 55 55 7223 1 . ASP 56 56 7223 1 . GLN 57 57 7223 1 . LEU 58 58 7223 1 . PRO 59 59 7223 1 . LEU 60 60 7223 1 . GLY 61 61 7223 1 . GLU 62 62 7223 1 . TYR 63 63 7223 1 . GLY 64 64 7223 1 . LEU 65 65 7223 1 . LYS 66 66 7223 1 . PRO 67 67 7223 1 . LEU 68 68 7223 1 . SER 69 69 7223 1 . THR 70 70 7223 1 . VAL 71 71 7223 1 . PHE 72 72 7223 1 . MET 73 73 7223 1 . ASN 74 74 7223 1 . LEU 75 75 7223 1 . ARG 76 76 7223 1 . LEU 77 77 7223 1 . ARG 78 78 7223 1 . GLY 79 79 7223 1 . GLY 80 80 7223 1 . LEU 81 81 7223 1 . GLU 82 82 7223 1 . HIS 83 83 7223 1 . HIS 84 84 7223 1 . HIS 85 85 7223 1 . HIS 86 86 7223 1 . HIS 87 87 7223 1 . HIS 88 88 7223 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 7223 _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 $kDa . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7223 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 7223 _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 $kDa . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7223 _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 'Interferon-induced 17 kDa protein' '[U-13C; U-15N]' . . 1 $kDa . . 0.81 . . mM . . . . 7223 1 2 'ammonium citrate' . . . . . . . 50 . . mM . . . . 7223 1 3 CaCl2 . . . . . . . 5 . . mM . . . . 7223 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 7223 1 5 D2O . . . . . . . 5 . . % . . . . 7223 1 6 H2O . . . . . . . 95 . . % . . . . 7223 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7223 _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 'Interferon-induced 17 kDa protein' '[U-5% 13C; U-15N]' . . 1 $kDa . . 0.9 . . mM . . . . 7223 2 2 'ammonium citrate' . . . . . . . 50 . . mM . . . . 7223 2 3 CaCl2 . . . . . . . 5 . . mM . . . . 7223 2 4 NaN3 . . . . . . . 0.02 . . % . . . . 7223 2 5 D2O . . . . . . . 5 . . % . . . . 7223 2 6 H2O . . . . . . . 95 . . % . . . . 7223 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 7223 _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' 50 . mM 7223 1 pH 6.5 . pH 7223 1 pressure 1 . atm 7223 1 temperature 293 . K 7223 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7223 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5pl6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7223 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7223 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7223 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7223 _Software.ID 3 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7223 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7223 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7223 4 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 7223 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7223 5 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7223 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details 'Clore et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7223 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7223 _Software.ID 7 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'Delaglio et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7223 7 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 7223 _Software.ID 8 _Software.Name PDBStat _Software.Version 4.1 _Software.Details 'Tejero & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7223 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7223 _Software.ID 9 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'Bhattacharya, Hang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7223 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7223 _Software.ID 10 _Software.Name CNS _Software.Version 1.1 _Software.Details BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7223 10 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 7223 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7223 _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 Varian INOVA . 600 . . . 7223 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 7223 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 4 'high resolution 2D CH-HSQC (for stereospecific assignment of Val/Leu methyls)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 5 '2D 15N 1H heteronuclear NOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 6 '3D TR backbone expts' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 7 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 1 8 '3D HCCH-TOCSYs' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7223 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 7223 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7223 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7223 _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 7223 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'high resolution 2D CH-HSQC (for stereospecific assignment of Val/Leu methyls)' _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 7223 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 15N 1H heteronuclear NOE' _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 7223 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D TR backbone expts' _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 7223 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 7223 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSYs' _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 7223 _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 0.0 . indirect 0.251449530 . . . . . . . . . 7223 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7223 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7223 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 7223 _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 $sample_1 . 7223 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 HE1 H 1 2.073 . . 1 . . . . . . . . 7223 1 2 . 1 1 1 1 MET HE2 H 1 2.073 . . 1 . . . . . . . . 7223 1 3 . 1 1 1 1 MET HE3 H 1 2.073 . . 1 . . . . . . . . 7223 1 4 . 1 1 1 1 MET CE C 13 16.79 . . 1 . . . . . . . . 7223 1 5 . 1 1 1 1 MET HA H 1 4.054 . . 1 . . . . . . . . 7223 1 6 . 1 1 1 1 MET HB2 H 1 2.108 . . 2 . . . . . . . . 7223 1 7 . 1 1 1 1 MET HG3 H 1 2.583 . . 2 . . . . . . . . 7223 1 8 . 1 1 1 1 MET CA C 13 55.23 . . 1 . . . . . . . . 7223 1 9 . 1 1 1 1 MET CB C 13 33.21 . . 1 . . . . . . . . 7223 1 10 . 1 1 1 1 MET CG C 13 31.04 . . 1 . . . . . . . . 7223 1 11 . 1 1 2 2 ASP HA H 1 4.602 . . 1 . . . . . . . . 7223 1 12 . 1 1 2 2 ASP HB2 H 1 2.764 . . 2 . . . . . . . . 7223 1 13 . 1 1 2 2 ASP HB3 H 1 2.436 . . 2 . . . . . . . . 7223 1 14 . 1 1 2 2 ASP C C 13 174.767 . . 1 . . . . . . . . 7223 1 15 . 1 1 2 2 ASP CA C 13 54.092 . . 1 . . . . . . . . 7223 1 16 . 1 1 2 2 ASP CB C 13 40.993 . . 1 . . . . . . . . 7223 1 17 . 1 1 3 3 GLU H H 1 8.349 . . 1 . . . . . . . . 7223 1 18 . 1 1 3 3 GLU CA C 13 55.226 . . 1 . . . . . . . . 7223 1 19 . 1 1 3 3 GLU CB C 13 29.156 . . 1 . . . . . . . . 7223 1 20 . 1 1 3 3 GLU N N 15 121.284 . . 1 . . . . . . . . 7223 1 21 . 1 1 3 3 GLU HA H 1 4.445 . . 1 . . . . . . . . 7223 1 22 . 1 1 3 3 GLU HB2 H 1 2.031 . . 2 . . . . . . . . 7223 1 23 . 1 1 3 3 GLU HB3 H 1 1.891 . . 2 . . . . . . . . 7223 1 24 . 1 1 3 3 GLU HG2 H 1 2.320 . . 1 . . . . . . . . 7223 1 25 . 1 1 3 3 GLU HG3 H 1 2.320 . . 1 . . . . . . . . 7223 1 26 . 1 1 3 3 GLU CG C 13 36.472 . . 1 . . . . . . . . 7223 1 27 . 1 1 3 3 GLU C C 13 174.60 . . 1 . . . . . . . . 7223 1 28 . 1 1 4 4 PRO HA H 1 4.726 . . 1 . . . . . . . . 7223 1 29 . 1 1 4 4 PRO HB2 H 1 1.995 . . 2 . . . . . . . . 7223 1 30 . 1 1 4 4 PRO HB3 H 1 1.785 . . 2 . . . . . . . . 7223 1 31 . 1 1 4 4 PRO HG2 H 1 1.975 . . 2 . . . . . . . . 7223 1 32 . 1 1 4 4 PRO HG3 H 1 1.800 . . 2 . . . . . . . . 7223 1 33 . 1 1 4 4 PRO HD2 H 1 3.718 . . 2 . . . . . . . . 7223 1 34 . 1 1 4 4 PRO HD3 H 1 3.640 . . 2 . . . . . . . . 7223 1 35 . 1 1 4 4 PRO C C 13 175.532 . . 1 . . . . . . . . 7223 1 36 . 1 1 4 4 PRO CA C 13 62.632 . . 1 . . . . . . . . 7223 1 37 . 1 1 4 4 PRO CB C 13 32.479 . . 1 . . . . . . . . 7223 1 38 . 1 1 4 4 PRO CG C 13 27.323 . . 1 . . . . . . . . 7223 1 39 . 1 1 4 4 PRO CD C 13 50.478 . . 1 . . . . . . . . 7223 1 40 . 1 1 5 5 LEU H H 1 9.141 . . 1 . . . . . . . . 7223 1 41 . 1 1 5 5 LEU HA H 1 4.670 . . 1 . . . . . . . . 7223 1 42 . 1 1 5 5 LEU HB2 H 1 1.640 . . 2 . . . . . . . . 7223 1 43 . 1 1 5 5 LEU HB3 H 1 1.414 . . 2 . . . . . . . . 7223 1 44 . 1 1 5 5 LEU HG H 1 1.433 . . 1 . . . . . . . . 7223 1 45 . 1 1 5 5 LEU HD21 H 1 0.712 . . 1 . . . . . . . . 7223 1 46 . 1 1 5 5 LEU HD22 H 1 0.712 . . 1 . . . . . . . . 7223 1 47 . 1 1 5 5 LEU HD23 H 1 0.712 . . 1 . . . . . . . . 7223 1 48 . 1 1 5 5 LEU HD11 H 1 0.486 . . 1 . . . . . . . . 7223 1 49 . 1 1 5 5 LEU HD12 H 1 0.486 . . 1 . . . . . . . . 7223 1 50 . 1 1 5 5 LEU HD13 H 1 0.486 . . 1 . . . . . . . . 7223 1 51 . 1 1 5 5 LEU C C 13 174.655 . . 1 . . . . . . . . 7223 1 52 . 1 1 5 5 LEU CA C 13 54.570 . . 1 . . . . . . . . 7223 1 53 . 1 1 5 5 LEU CB C 13 44.392 . . 1 . . . . . . . . 7223 1 54 . 1 1 5 5 LEU CG C 13 26.404 . . 1 . . . . . . . . 7223 1 55 . 1 1 5 5 LEU CD2 C 13 26.216 . . 1 . . . . . . . . 7223 1 56 . 1 1 5 5 LEU CD1 C 13 25.889 . . 1 . . . . . . . . 7223 1 57 . 1 1 5 5 LEU N N 15 120.762 . . 1 . . . . . . . . 7223 1 58 . 1 1 6 6 SER H H 1 8.375 . . 1 . . . . . . . . 7223 1 59 . 1 1 6 6 SER HA H 1 5.505 . . 1 . . . . . . . . 7223 1 60 . 1 1 6 6 SER HB2 H 1 3.625 . . 2 . . . . . . . . 7223 1 61 . 1 1 6 6 SER HB3 H 1 3.566 . . 2 . . . . . . . . 7223 1 62 . 1 1 6 6 SER C C 13 173.831 . . 1 . . . . . . . . 7223 1 63 . 1 1 6 6 SER CA C 13 57.679 . . 1 . . . . . . . . 7223 1 64 . 1 1 6 6 SER CB C 13 64.223 . . 1 . . . . . . . . 7223 1 65 . 1 1 6 6 SER N N 15 117.075 . . 1 . . . . . . . . 7223 1 66 . 1 1 7 7 ILE H H 1 9.049 . . 1 . . . . . . . . 7223 1 67 . 1 1 7 7 ILE HA H 1 4.607 . . 1 . . . . . . . . 7223 1 68 . 1 1 7 7 ILE HB H 1 1.914 . . 1 . . . . . . . . 7223 1 69 . 1 1 7 7 ILE HG12 H 1 1.183 . . 2 . . . . . . . . 7223 1 70 . 1 1 7 7 ILE HG13 H 1 0.967 . . 2 . . . . . . . . 7223 1 71 . 1 1 7 7 ILE HG21 H 1 0.732 . . 1 . . . . . . . . 7223 1 72 . 1 1 7 7 ILE HG22 H 1 0.732 . . 1 . . . . . . . . 7223 1 73 . 1 1 7 7 ILE HG23 H 1 0.732 . . 1 . . . . . . . . 7223 1 74 . 1 1 7 7 ILE HD11 H 1 0.540 . . 1 . . . . . . . . 7223 1 75 . 1 1 7 7 ILE HD12 H 1 0.540 . . 1 . . . . . . . . 7223 1 76 . 1 1 7 7 ILE HD13 H 1 0.540 . . 1 . . . . . . . . 7223 1 77 . 1 1 7 7 ILE C C 13 173.206 . . 1 . . . . . . . . 7223 1 78 . 1 1 7 7 ILE CA C 13 59.164 . . 1 . . . . . . . . 7223 1 79 . 1 1 7 7 ILE CB C 13 41.878 . . 1 . . . . . . . . 7223 1 80 . 1 1 7 7 ILE CG1 C 13 25.792 . . 1 . . . . . . . . 7223 1 81 . 1 1 7 7 ILE CG2 C 13 18.304 . . 1 . . . . . . . . 7223 1 82 . 1 1 7 7 ILE CD1 C 13 14.882 . . 1 . . . . . . . . 7223 1 83 . 1 1 7 7 ILE N N 15 118.445 . . 1 . . . . . . . . 7223 1 84 . 1 1 8 8 LEU H H 1 8.804 . . 1 . . . . . . . . 7223 1 85 . 1 1 8 8 LEU HA H 1 5.454 . . 1 . . . . . . . . 7223 1 86 . 1 1 8 8 LEU HB2 H 1 1.876 . . 2 . . . . . . . . 7223 1 87 . 1 1 8 8 LEU HB3 H 1 1.087 . . 2 . . . . . . . . 7223 1 88 . 1 1 8 8 LEU HG H 1 1.392 . . 1 . . . . . . . . 7223 1 89 . 1 1 8 8 LEU HD11 H 1 0.728 . . 1 . . . . . . . . 7223 1 90 . 1 1 8 8 LEU HD12 H 1 0.728 . . 1 . . . . . . . . 7223 1 91 . 1 1 8 8 LEU HD13 H 1 0.728 . . 1 . . . . . . . . 7223 1 92 . 1 1 8 8 LEU HD21 H 1 0.659 . . 1 . . . . . . . . 7223 1 93 . 1 1 8 8 LEU HD22 H 1 0.659 . . 1 . . . . . . . . 7223 1 94 . 1 1 8 8 LEU HD23 H 1 0.659 . . 1 . . . . . . . . 7223 1 95 . 1 1 8 8 LEU C C 13 176.745 . . 1 . . . . . . . . 7223 1 96 . 1 1 8 8 LEU CA C 13 53.486 . . 1 . . . . . . . . 7223 1 97 . 1 1 8 8 LEU CB C 13 43.986 . . 1 . . . . . . . . 7223 1 98 . 1 1 8 8 LEU CG C 13 28.272 . . 1 . . . . . . . . 7223 1 99 . 1 1 8 8 LEU CD1 C 13 25.227 . . 1 . . . . . . . . 7223 1 100 . 1 1 8 8 LEU CD2 C 13 25.028 . . 1 . . . . . . . . 7223 1 101 . 1 1 8 8 LEU N N 15 121.426 . . 1 . . . . . . . . 7223 1 102 . 1 1 9 9 VAL H H 1 8.718 . . 1 . . . . . . . . 7223 1 103 . 1 1 9 9 VAL HA H 1 5.066 . . 1 . . . . . . . . 7223 1 104 . 1 1 9 9 VAL HB H 1 2.066 . . 1 . . . . . . . . 7223 1 105 . 1 1 9 9 VAL HG11 H 1 0.482 . . 1 . . . . . . . . 7223 1 106 . 1 1 9 9 VAL HG12 H 1 0.482 . . 1 . . . . . . . . 7223 1 107 . 1 1 9 9 VAL HG13 H 1 0.482 . . 1 . . . . . . . . 7223 1 108 . 1 1 9 9 VAL HG21 H 1 0.299 . . 1 . . . . . . . . 7223 1 109 . 1 1 9 9 VAL HG22 H 1 0.299 . . 1 . . . . . . . . 7223 1 110 . 1 1 9 9 VAL HG23 H 1 0.299 . . 1 . . . . . . . . 7223 1 111 . 1 1 9 9 VAL C C 13 176.467 . . 1 . . . . . . . . 7223 1 112 . 1 1 9 9 VAL CA C 13 60.491 . . 1 . . . . . . . . 7223 1 113 . 1 1 9 9 VAL CB C 13 32.531 . . 1 . . . . . . . . 7223 1 114 . 1 1 9 9 VAL CG1 C 13 21.099 . . 1 . . . . . . . . 7223 1 115 . 1 1 9 9 VAL CG2 C 13 20.146 . . 1 . . . . . . . . 7223 1 116 . 1 1 9 9 VAL N N 15 118.610 . . 1 . . . . . . . . 7223 1 117 . 1 1 10 10 ARG H H 1 8.858 . . 1 . . . . . . . . 7223 1 118 . 1 1 10 10 ARG HA H 1 4.675 . . 1 . . . . . . . . 7223 1 119 . 1 1 10 10 ARG HB2 H 1 1.321 . . 2 . . . . . . . . 7223 1 120 . 1 1 10 10 ARG HB3 H 1 1.213 . . 2 . . . . . . . . 7223 1 121 . 1 1 10 10 ARG HG2 H 1 1.594 . . 2 . . . . . . . . 7223 1 122 . 1 1 10 10 ARG HG3 H 1 1.166 . . 2 . . . . . . . . 7223 1 123 . 1 1 10 10 ARG HD2 H 1 2.829 . . 2 . . . . . . . . 7223 1 124 . 1 1 10 10 ARG HD3 H 1 2.716 . . 2 . . . . . . . . 7223 1 125 . 1 1 10 10 ARG C C 13 175.347 . . 1 . . . . . . . . 7223 1 126 . 1 1 10 10 ARG CA C 13 54.550 . . 1 . . . . . . . . 7223 1 127 . 1 1 10 10 ARG CB C 13 32.125 . . 1 . . . . . . . . 7223 1 128 . 1 1 10 10 ARG CG C 13 26.485 . . 1 . . . . . . . . 7223 1 129 . 1 1 10 10 ARG CD C 13 43.521 . . 1 . . . . . . . . 7223 1 130 . 1 1 10 10 ARG N N 15 130.997 . . 1 . . . . . . . . 7223 1 131 . 1 1 11 11 ASN H H 1 8.380 . . 1 . . . . . . . . 7223 1 132 . 1 1 11 11 ASN HA H 1 4.678 . . 1 . . . . . . . . 7223 1 133 . 1 1 11 11 ASN HB2 H 1 3.195 . . 2 . . . . . . . . 7223 1 134 . 1 1 11 11 ASN HB3 H 1 2.972 . . 2 . . . . . . . . 7223 1 135 . 1 1 11 11 ASN HD21 H 1 8.864 . . 1 . . . . . . . . 7223 1 136 . 1 1 11 11 ASN HD22 H 1 7.202 . . 1 . . . . . . . . 7223 1 137 . 1 1 11 11 ASN C C 13 175.990 . . 1 . . . . . . . . 7223 1 138 . 1 1 11 11 ASN CA C 13 51.166 . . 1 . . . . . . . . 7223 1 139 . 1 1 11 11 ASN CB C 13 37.988 . . 1 . . . . . . . . 7223 1 140 . 1 1 11 11 ASN N N 15 124.762 . . 1 . . . . . . . . 7223 1 141 . 1 1 11 11 ASN ND2 N 15 114.575 . . 1 . . . . . . . . 7223 1 142 . 1 1 12 12 ASN H H 1 8.601 . . 1 . . . . . . . . 7223 1 143 . 1 1 12 12 ASN HA H 1 4.510 . . 1 . . . . . . . . 7223 1 144 . 1 1 12 12 ASN HB2 H 1 2.843 . . 2 . . . . . . . . 7223 1 145 . 1 1 12 12 ASN HB3 H 1 2.509 . . 2 . . . . . . . . 7223 1 146 . 1 1 12 12 ASN HD21 H 1 7.810 . . 1 . . . . . . . . 7223 1 147 . 1 1 12 12 ASN HD22 H 1 6.936 . . 1 . . . . . . . . 7223 1 148 . 1 1 12 12 ASN C C 13 175.443 . . 1 . . . . . . . . 7223 1 149 . 1 1 12 12 ASN CA C 13 55.399 . . 1 . . . . . . . . 7223 1 150 . 1 1 12 12 ASN CB C 13 37.842 . . 1 . . . . . . . . 7223 1 151 . 1 1 12 12 ASN N N 15 114.725 . . 1 . . . . . . . . 7223 1 152 . 1 1 12 12 ASN ND2 N 15 114.471 . . 1 . . . . . . . . 7223 1 153 . 1 1 13 13 LYS H H 1 7.661 . . 1 . . . . . . . . 7223 1 154 . 1 1 13 13 LYS HA H 1 4.399 . . 1 . . . . . . . . 7223 1 155 . 1 1 13 13 LYS HB2 H 1 2.019 . . 2 . . . . . . . . 7223 1 156 . 1 1 13 13 LYS HB3 H 1 1.633 . . 2 . . . . . . . . 7223 1 157 . 1 1 13 13 LYS HG2 H 1 1.311 . . 1 . . . . . . . . 7223 1 158 . 1 1 13 13 LYS HG3 H 1 1.311 . . 1 . . . . . . . . 7223 1 159 . 1 1 13 13 LYS HD2 H 1 1.624 . . 2 . . . . . . . . 7223 1 160 . 1 1 13 13 LYS HD3 H 1 1.566 . . 2 . . . . . . . . 7223 1 161 . 1 1 13 13 LYS HE2 H 1 2.914 . . 1 . . . . . . . . 7223 1 162 . 1 1 13 13 LYS HE3 H 1 2.914 . . 1 . . . . . . . . 7223 1 163 . 1 1 13 13 LYS C C 13 176.746 . . 1 . . . . . . . . 7223 1 164 . 1 1 13 13 LYS CA C 13 55.297 . . 1 . . . . . . . . 7223 1 165 . 1 1 13 13 LYS CB C 13 32.170 . . 1 . . . . . . . . 7223 1 166 . 1 1 13 13 LYS CG C 13 24.833 . . 1 . . . . . . . . 7223 1 167 . 1 1 13 13 LYS CD C 13 28.769 . . 1 . . . . . . . . 7223 1 168 . 1 1 13 13 LYS CE C 13 42.057 . . 1 . . . . . . . . 7223 1 169 . 1 1 13 13 LYS N N 15 118.733 . . 1 . . . . . . . . 7223 1 170 . 1 1 14 14 GLY H H 1 7.879 . . 1 . . . . . . . . 7223 1 171 . 1 1 14 14 GLY HA2 H 1 4.173 . . 2 . . . . . . . . 7223 1 172 . 1 1 14 14 GLY HA3 H 1 3.435 . . 2 . . . . . . . . 7223 1 173 . 1 1 14 14 GLY C C 13 173.375 . . 1 . . . . . . . . 7223 1 174 . 1 1 14 14 GLY CA C 13 45.276 . . 1 . . . . . . . . 7223 1 175 . 1 1 14 14 GLY N N 15 106.934 . . 1 . . . . . . . . 7223 1 176 . 1 1 15 15 ARG H H 1 7.763 . . 1 . . . . . . . . 7223 1 177 . 1 1 15 15 ARG HA H 1 4.524 . . 1 . . . . . . . . 7223 1 178 . 1 1 15 15 ARG HB2 H 1 1.854 . . 2 . . . . . . . . 7223 1 179 . 1 1 15 15 ARG HB3 H 1 1.601 . . 2 . . . . . . . . 7223 1 180 . 1 1 15 15 ARG HG2 H 1 1.635 . . 2 . . . . . . . . 7223 1 181 . 1 1 15 15 ARG HG3 H 1 1.330 . . 2 . . . . . . . . 7223 1 182 . 1 1 15 15 ARG HD2 H 1 3.152 . . 2 . . . . . . . . 7223 1 183 . 1 1 15 15 ARG HD3 H 1 3.083 . . 2 . . . . . . . . 7223 1 184 . 1 1 15 15 ARG C C 13 177.059 . . 1 . . . . . . . . 7223 1 185 . 1 1 15 15 ARG CA C 13 55.115 . . 1 . . . . . . . . 7223 1 186 . 1 1 15 15 ARG CB C 13 31.557 . . 1 . . . . . . . . 7223 1 187 . 1 1 15 15 ARG CG C 13 26.603 . . 1 . . . . . . . . 7223 1 188 . 1 1 15 15 ARG CD C 13 43.282 . . 1 . . . . . . . . 7223 1 189 . 1 1 15 15 ARG N N 15 121.704 . . 1 . . . . . . . . 7223 1 190 . 1 1 16 16 SER H H 1 9.300 . . 1 . . . . . . . . 7223 1 191 . 1 1 16 16 SER HA H 1 5.303 . . 1 . . . . . . . . 7223 1 192 . 1 1 16 16 SER HB2 H 1 3.714 . . 2 . . . . . . . . 7223 1 193 . 1 1 16 16 SER HB3 H 1 3.556 . . 2 . . . . . . . . 7223 1 194 . 1 1 16 16 SER C C 13 173.594 . . 1 . . . . . . . . 7223 1 195 . 1 1 16 16 SER CA C 13 58.132 . . 1 . . . . . . . . 7223 1 196 . 1 1 16 16 SER CB C 13 64.766 . . 1 . . . . . . . . 7223 1 197 . 1 1 16 16 SER N N 15 126.316 . . 1 . . . . . . . . 7223 1 198 . 1 1 17 17 SER H H 1 8.042 . . 1 . . . . . . . . 7223 1 199 . 1 1 17 17 SER HA H 1 4.745 . . 1 . . . . . . . . 7223 1 200 . 1 1 17 17 SER HB2 H 1 3.818 . . 2 . . . . . . . . 7223 1 201 . 1 1 17 17 SER HB3 H 1 3.519 . . 2 . . . . . . . . 7223 1 202 . 1 1 17 17 SER C C 13 171.744 . . 1 . . . . . . . . 7223 1 203 . 1 1 17 17 SER CA C 13 58.110 . . 1 . . . . . . . . 7223 1 204 . 1 1 17 17 SER CB C 13 65.428 . . 1 . . . . . . . . 7223 1 205 . 1 1 17 17 SER N N 15 119.886 . . 1 . . . . . . . . 7223 1 206 . 1 1 18 18 THR H H 1 8.298 . . 1 . . . . . . . . 7223 1 207 . 1 1 18 18 THR HA H 1 4.940 . . 1 . . . . . . . . 7223 1 208 . 1 1 18 18 THR HB H 1 3.796 . . 1 . . . . . . . . 7223 1 209 . 1 1 18 18 THR HG21 H 1 1.055 . . 1 . . . . . . . . 7223 1 210 . 1 1 18 18 THR HG22 H 1 1.055 . . 1 . . . . . . . . 7223 1 211 . 1 1 18 18 THR HG23 H 1 1.055 . . 1 . . . . . . . . 7223 1 212 . 1 1 18 18 THR C C 13 173.920 . . 1 . . . . . . . . 7223 1 213 . 1 1 18 18 THR CA C 13 62.319 . . 1 . . . . . . . . 7223 1 214 . 1 1 18 18 THR CB C 13 69.542 . . 1 . . . . . . . . 7223 1 215 . 1 1 18 18 THR CG2 C 13 21.872 . . 1 . . . . . . . . 7223 1 216 . 1 1 18 18 THR N N 15 118.573 . . 1 . . . . . . . . 7223 1 217 . 1 1 19 19 TYR H H 1 9.274 . . 1 . . . . . . . . 7223 1 218 . 1 1 19 19 TYR HA H 1 4.415 . . 1 . . . . . . . . 7223 1 219 . 1 1 19 19 TYR HB2 H 1 2.539 . . 2 . . . . . . . . 7223 1 220 . 1 1 19 19 TYR HB3 H 1 2.322 . . 2 . . . . . . . . 7223 1 221 . 1 1 19 19 TYR C C 13 173.723 . . 1 . . . . . . . . 7223 1 222 . 1 1 19 19 TYR CA C 13 57.127 . . 1 . . . . . . . . 7223 1 223 . 1 1 19 19 TYR CB C 13 41.305 . . 1 . . . . . . . . 7223 1 224 . 1 1 19 19 TYR N N 15 125.476 . . 1 . . . . . . . . 7223 1 225 . 1 1 19 19 TYR CD1 C 13 133.35 . . 3 . . . . . . . . 7223 1 226 . 1 1 19 19 TYR CD2 C 13 133.35 . . 3 . . . . . . . . 7223 1 227 . 1 1 19 19 TYR CE1 C 13 117.52 . . 3 . . . . . . . . 7223 1 228 . 1 1 19 19 TYR CE2 C 13 117.52 . . 3 . . . . . . . . 7223 1 229 . 1 1 19 19 TYR HD1 H 1 6.889 . . 3 . . . . . . . . 7223 1 230 . 1 1 19 19 TYR HD2 H 1 6.889 . . 3 . . . . . . . . 7223 1 231 . 1 1 19 19 TYR HE1 H 1 6.428 . . 3 . . . . . . . . 7223 1 232 . 1 1 19 19 TYR HE2 H 1 6.428 . . 3 . . . . . . . . 7223 1 233 . 1 1 20 20 GLU H H 1 8.727 . . 1 . . . . . . . . 7223 1 234 . 1 1 20 20 GLU HA H 1 5.009 . . 1 . . . . . . . . 7223 1 235 . 1 1 20 20 GLU HB2 H 1 1.883 . . 1 . . . . . . . . 7223 1 236 . 1 1 20 20 GLU HB3 H 1 1.883 . . 1 . . . . . . . . 7223 1 237 . 1 1 20 20 GLU HG2 H 1 2.101 . . 2 . . . . . . . . 7223 1 238 . 1 1 20 20 GLU HG3 H 1 1.968 . . 2 . . . . . . . . 7223 1 239 . 1 1 20 20 GLU C C 13 176.545 . . 1 . . . . . . . . 7223 1 240 . 1 1 20 20 GLU CA C 13 55.560 . . 1 . . . . . . . . 7223 1 241 . 1 1 20 20 GLU CB C 13 30.532 . . 1 . . . . . . . . 7223 1 242 . 1 1 20 20 GLU CG C 13 37.572 . . 1 . . . . . . . . 7223 1 243 . 1 1 20 20 GLU N N 15 123.147 . . 1 . . . . . . . . 7223 1 244 . 1 1 21 21 VAL H H 1 9.284 . . 1 . . . . . . . . 7223 1 245 . 1 1 21 21 VAL HA H 1 5.018 . . 1 . . . . . . . . 7223 1 246 . 1 1 21 21 VAL HB H 1 2.041 . . 1 . . . . . . . . 7223 1 247 . 1 1 21 21 VAL HG11 H 1 0.790 . . 1 . . . . . . . . 7223 1 248 . 1 1 21 21 VAL HG12 H 1 0.790 . . 1 . . . . . . . . 7223 1 249 . 1 1 21 21 VAL HG13 H 1 0.790 . . 1 . . . . . . . . 7223 1 250 . 1 1 21 21 VAL HG21 H 1 0.507 . . 1 . . . . . . . . 7223 1 251 . 1 1 21 21 VAL HG22 H 1 0.507 . . 1 . . . . . . . . 7223 1 252 . 1 1 21 21 VAL HG23 H 1 0.507 . . 1 . . . . . . . . 7223 1 253 . 1 1 21 21 VAL C C 13 173.936 . . 1 . . . . . . . . 7223 1 254 . 1 1 21 21 VAL CA C 13 58.425 . . 1 . . . . . . . . 7223 1 255 . 1 1 21 21 VAL CB C 13 35.968 . . 1 . . . . . . . . 7223 1 256 . 1 1 21 21 VAL CG1 C 13 22.047 . . 1 . . . . . . . . 7223 1 257 . 1 1 21 21 VAL CG2 C 13 18.101 . . 1 . . . . . . . . 7223 1 258 . 1 1 21 21 VAL N N 15 119.866 . . 1 . . . . . . . . 7223 1 259 . 1 1 22 22 ARG H H 1 7.755 . . 1 . . . . . . . . 7223 1 260 . 1 1 22 22 ARG HA H 1 4.680 . . 1 . . . . . . . . 7223 1 261 . 1 1 22 22 ARG HB2 H 1 2.023 . . 2 . . . . . . . . 7223 1 262 . 1 1 22 22 ARG HB3 H 1 1.267 . . 2 . . . . . . . . 7223 1 263 . 1 1 22 22 ARG HG2 H 1 1.564 . . 2 . . . . . . . . 7223 1 264 . 1 1 22 22 ARG HG3 H 1 1.341 . . 2 . . . . . . . . 7223 1 265 . 1 1 22 22 ARG HD2 H 1 3.125 . . 2 . . . . . . . . 7223 1 266 . 1 1 22 22 ARG HD3 H 1 2.999 . . 2 . . . . . . . . 7223 1 267 . 1 1 22 22 ARG C C 13 177.809 . . 1 . . . . . . . . 7223 1 268 . 1 1 22 22 ARG CA C 13 54.263 . . 1 . . . . . . . . 7223 1 269 . 1 1 22 22 ARG CB C 13 33.599 . . 1 . . . . . . . . 7223 1 270 . 1 1 22 22 ARG CG C 13 28.388 . . 1 . . . . . . . . 7223 1 271 . 1 1 22 22 ARG CD C 13 43.353 . . 1 . . . . . . . . 7223 1 272 . 1 1 22 22 ARG N N 15 115.405 . . 1 . . . . . . . . 7223 1 273 . 1 1 23 23 LEU H H 1 9.284 . . 1 . . . . . . . . 7223 1 274 . 1 1 23 23 LEU HA H 1 4.013 . . 1 . . . . . . . . 7223 1 275 . 1 1 23 23 LEU HB2 H 1 1.885 . . 2 . . . . . . . . 7223 1 276 . 1 1 23 23 LEU HB3 H 1 1.311 . . 2 . . . . . . . . 7223 1 277 . 1 1 23 23 LEU HG H 1 1.753 . . 1 . . . . . . . . 7223 1 278 . 1 1 23 23 LEU HD11 H 1 0.965 . . 1 . . . . . . . . 7223 1 279 . 1 1 23 23 LEU HD12 H 1 0.965 . . 1 . . . . . . . . 7223 1 280 . 1 1 23 23 LEU HD13 H 1 0.965 . . 1 . . . . . . . . 7223 1 281 . 1 1 23 23 LEU HD21 H 1 0.560 . . 1 . . . . . . . . 7223 1 282 . 1 1 23 23 LEU HD22 H 1 0.560 . . 1 . . . . . . . . 7223 1 283 . 1 1 23 23 LEU HD23 H 1 0.560 . . 1 . . . . . . . . 7223 1 284 . 1 1 23 23 LEU C C 13 177.317 . . 1 . . . . . . . . 7223 1 285 . 1 1 23 23 LEU CA C 13 57.067 . . 1 . . . . . . . . 7223 1 286 . 1 1 23 23 LEU CB C 13 40.370 . . 1 . . . . . . . . 7223 1 287 . 1 1 23 23 LEU CG C 13 26.551 . . 1 . . . . . . . . 7223 1 288 . 1 1 23 23 LEU CD1 C 13 25.364 . . 1 . . . . . . . . 7223 1 289 . 1 1 23 23 LEU CD2 C 13 21.802 . . 1 . . . . . . . . 7223 1 290 . 1 1 23 23 LEU N N 15 119.996 . . 1 . . . . . . . . 7223 1 291 . 1 1 24 24 THR H H 1 7.266 . . 1 . . . . . . . . 7223 1 292 . 1 1 24 24 THR HA H 1 4.086 . . 1 . . . . . . . . 7223 1 293 . 1 1 24 24 THR HB H 1 4.320 . . 1 . . . . . . . . 7223 1 294 . 1 1 24 24 THR HG21 H 1 1.202 . . 1 . . . . . . . . 7223 1 295 . 1 1 24 24 THR HG22 H 1 1.202 . . 1 . . . . . . . . 7223 1 296 . 1 1 24 24 THR HG23 H 1 1.202 . . 1 . . . . . . . . 7223 1 297 . 1 1 24 24 THR C C 13 176.747 . . 1 . . . . . . . . 7223 1 298 . 1 1 24 24 THR CA C 13 61.728 . . 1 . . . . . . . . 7223 1 299 . 1 1 24 24 THR CB C 13 69.487 . . 1 . . . . . . . . 7223 1 300 . 1 1 24 24 THR CG2 C 13 21.710 . . 1 . . . . . . . . 7223 1 301 . 1 1 24 24 THR N N 15 104.370 . . 1 . . . . . . . . 7223 1 302 . 1 1 25 25 GLN H H 1 7.635 . . 1 . . . . . . . . 7223 1 303 . 1 1 25 25 GLN HA H 1 4.421 . . 1 . . . . . . . . 7223 1 304 . 1 1 25 25 GLN HB2 H 1 2.492 . . 2 . . . . . . . . 7223 1 305 . 1 1 25 25 GLN HB3 H 1 1.864 . . 2 . . . . . . . . 7223 1 306 . 1 1 25 25 GLN HG2 H 1 2.404 . . 2 . . . . . . . . 7223 1 307 . 1 1 25 25 GLN HG3 H 1 2.178 . . 2 . . . . . . . . 7223 1 308 . 1 1 25 25 GLN HE21 H 1 6.843 . . 1 . . . . . . . . 7223 1 309 . 1 1 25 25 GLN HE22 H 1 7.225 . . 1 . . . . . . . . 7223 1 310 . 1 1 25 25 GLN C C 13 174.998 . . 1 . . . . . . . . 7223 1 311 . 1 1 25 25 GLN CA C 13 55.092 . . 1 . . . . . . . . 7223 1 312 . 1 1 25 25 GLN CB C 13 29.078 . . 1 . . . . . . . . 7223 1 313 . 1 1 25 25 GLN CG C 13 34.588 . . 1 . . . . . . . . 7223 1 314 . 1 1 25 25 GLN N N 15 122.128 . . 1 . . . . . . . . 7223 1 315 . 1 1 25 25 GLN NE2 N 15 111.243 . . 1 . . . . . . . . 7223 1 316 . 1 1 26 26 THR H H 1 8.480 . . 1 . . . . . . . . 7223 1 317 . 1 1 26 26 THR HA H 1 4.815 . . 1 . . . . . . . . 7223 1 318 . 1 1 26 26 THR HB H 1 4.696 . . 1 . . . . . . . . 7223 1 319 . 1 1 26 26 THR HG21 H 1 1.176 . . 1 . . . . . . . . 7223 1 320 . 1 1 26 26 THR HG22 H 1 1.176 . . 1 . . . . . . . . 7223 1 321 . 1 1 26 26 THR HG23 H 1 1.176 . . 1 . . . . . . . . 7223 1 322 . 1 1 26 26 THR C C 13 176.649 . . 1 . . . . . . . . 7223 1 323 . 1 1 26 26 THR CA C 13 60.704 . . 1 . . . . . . . . 7223 1 324 . 1 1 26 26 THR CB C 13 71.696 . . 1 . . . . . . . . 7223 1 325 . 1 1 26 26 THR CG2 C 13 22.114 . . 1 . . . . . . . . 7223 1 326 . 1 1 26 26 THR N N 15 109.980 . . 1 . . . . . . . . 7223 1 327 . 1 1 27 27 VAL H H 1 8.455 . . 1 . . . . . . . . 7223 1 328 . 1 1 27 27 VAL HA H 1 3.445 . . 1 . . . . . . . . 7223 1 329 . 1 1 27 27 VAL HB H 1 2.526 . . 1 . . . . . . . . 7223 1 330 . 1 1 27 27 VAL HG21 H 1 1.063 . . 1 . . . . . . . . 7223 1 331 . 1 1 27 27 VAL HG22 H 1 1.063 . . 1 . . . . . . . . 7223 1 332 . 1 1 27 27 VAL HG23 H 1 1.063 . . 1 . . . . . . . . 7223 1 333 . 1 1 27 27 VAL HG11 H 1 0.690 . . 1 . . . . . . . . 7223 1 334 . 1 1 27 27 VAL HG12 H 1 0.690 . . 1 . . . . . . . . 7223 1 335 . 1 1 27 27 VAL HG13 H 1 0.690 . . 1 . . . . . . . . 7223 1 336 . 1 1 27 27 VAL C C 13 178.617 . . 1 . . . . . . . . 7223 1 337 . 1 1 27 27 VAL CA C 13 66.616 . . 1 . . . . . . . . 7223 1 338 . 1 1 27 27 VAL CB C 13 31.438 . . 1 . . . . . . . . 7223 1 339 . 1 1 27 27 VAL CG2 C 13 24.663 . . 1 . . . . . . . . 7223 1 340 . 1 1 27 27 VAL CG1 C 13 21.293 . . 1 . . . . . . . . 7223 1 341 . 1 1 27 27 VAL N N 15 122.045 . . 1 . . . . . . . . 7223 1 342 . 1 1 28 28 ALA H H 1 9.092 . . 1 . . . . . . . . 7223 1 343 . 1 1 28 28 ALA HA H 1 3.831 . . 1 . . . . . . . . 7223 1 344 . 1 1 28 28 ALA HB1 H 1 1.353 . . 1 . . . . . . . . 7223 1 345 . 1 1 28 28 ALA HB2 H 1 1.353 . . 1 . . . . . . . . 7223 1 346 . 1 1 28 28 ALA HB3 H 1 1.353 . . 1 . . . . . . . . 7223 1 347 . 1 1 28 28 ALA C C 13 179.737 . . 1 . . . . . . . . 7223 1 348 . 1 1 28 28 ALA CA C 13 55.563 . . 1 . . . . . . . . 7223 1 349 . 1 1 28 28 ALA CB C 13 18.265 . . 1 . . . . . . . . 7223 1 350 . 1 1 28 28 ALA N N 15 121.910 . . 1 . . . . . . . . 7223 1 351 . 1 1 29 29 HIS H H 1 7.993 . . 1 . . . . . . . . 7223 1 352 . 1 1 29 29 HIS HA H 1 4.224 . . 1 . . . . . . . . 7223 1 353 . 1 1 29 29 HIS HB2 H 1 3.455 . . 2 . . . . . . . . 7223 1 354 . 1 1 29 29 HIS HB3 H 1 3.316 . . 2 . . . . . . . . 7223 1 355 . 1 1 29 29 HIS C C 13 178.848 . . 1 . . . . . . . . 7223 1 356 . 1 1 29 29 HIS CA C 13 60.283 . . 1 . . . . . . . . 7223 1 357 . 1 1 29 29 HIS CB C 13 30.188 . . 1 . . . . . . . . 7223 1 358 . 1 1 29 29 HIS N N 15 119.528 . . 1 . . . . . . . . 7223 1 359 . 1 1 30 30 LEU H H 1 7.718 . . 1 . . . . . . . . 7223 1 360 . 1 1 30 30 LEU HA H 1 4.289 . . 1 . . . . . . . . 7223 1 361 . 1 1 30 30 LEU HB2 H 1 2.111 . . 2 . . . . . . . . 7223 1 362 . 1 1 30 30 LEU HB3 H 1 1.382 . . 2 . . . . . . . . 7223 1 363 . 1 1 30 30 LEU HG H 1 1.132 . . 1 . . . . . . . . 7223 1 364 . 1 1 30 30 LEU HD21 H 1 0.530 . . 1 . . . . . . . . 7223 1 365 . 1 1 30 30 LEU HD22 H 1 0.530 . . 1 . . . . . . . . 7223 1 366 . 1 1 30 30 LEU HD23 H 1 0.530 . . 1 . . . . . . . . 7223 1 367 . 1 1 30 30 LEU HD11 H 1 0.439 . . 1 . . . . . . . . 7223 1 368 . 1 1 30 30 LEU HD12 H 1 0.439 . . 1 . . . . . . . . 7223 1 369 . 1 1 30 30 LEU HD13 H 1 0.439 . . 1 . . . . . . . . 7223 1 370 . 1 1 30 30 LEU C C 13 178.781 . . 1 . . . . . . . . 7223 1 371 . 1 1 30 30 LEU CA C 13 57.844 . . 1 . . . . . . . . 7223 1 372 . 1 1 30 30 LEU CB C 13 41.040 . . 1 . . . . . . . . 7223 1 373 . 1 1 30 30 LEU CG C 13 27.551 . . 1 . . . . . . . . 7223 1 374 . 1 1 30 30 LEU CD2 C 13 26.728 . . 1 . . . . . . . . 7223 1 375 . 1 1 30 30 LEU CD1 C 13 21.835 . . 1 . . . . . . . . 7223 1 376 . 1 1 30 30 LEU N N 15 121.169 . . 1 . . . . . . . . 7223 1 377 . 1 1 31 31 LYS H H 1 9.285 . . 1 . . . . . . . . 7223 1 378 . 1 1 31 31 LYS HA H 1 3.711 . . 1 . . . . . . . . 7223 1 379 . 1 1 31 31 LYS HB2 H 1 1.961 . . 2 . . . . . . . . 7223 1 380 . 1 1 31 31 LYS HB3 H 1 1.719 . . 2 . . . . . . . . 7223 1 381 . 1 1 31 31 LYS HG2 H 1 1.810 . . 2 . . . . . . . . 7223 1 382 . 1 1 31 31 LYS HG3 H 1 0.978 . . 2 . . . . . . . . 7223 1 383 . 1 1 31 31 LYS HD2 H 1 1.719 . . 2 . . . . . . . . 7223 1 384 . 1 1 31 31 LYS HD3 H 1 1.402 . . 2 . . . . . . . . 7223 1 385 . 1 1 31 31 LYS HE2 H 1 2.204 . . 2 . . . . . . . . 7223 1 386 . 1 1 31 31 LYS HE3 H 1 1.944 . . 2 . . . . . . . . 7223 1 387 . 1 1 31 31 LYS C C 13 178.563 . . 1 . . . . . . . . 7223 1 388 . 1 1 31 31 LYS CA C 13 61.491 . . 1 . . . . . . . . 7223 1 389 . 1 1 31 31 LYS CB C 13 31.323 . . 1 . . . . . . . . 7223 1 390 . 1 1 31 31 LYS CG C 13 26.806 . . 1 . . . . . . . . 7223 1 391 . 1 1 31 31 LYS CD C 13 27.773 . . 1 . . . . . . . . 7223 1 392 . 1 1 31 31 LYS CE C 13 41.523 . . 1 . . . . . . . . 7223 1 393 . 1 1 31 31 LYS N N 15 118.397 . . 1 . . . . . . . . 7223 1 394 . 1 1 32 32 GLN H H 1 7.994 . . 1 . . . . . . . . 7223 1 395 . 1 1 32 32 GLN HA H 1 4.152 . . 1 . . . . . . . . 7223 1 396 . 1 1 32 32 GLN HB2 H 1 2.226 . . 2 . . . . . . . . 7223 1 397 . 1 1 32 32 GLN HB3 H 1 2.146 . . 2 . . . . . . . . 7223 1 398 . 1 1 32 32 GLN HG2 H 1 2.522 . . 2 . . . . . . . . 7223 1 399 . 1 1 32 32 GLN HG3 H 1 2.422 . . 2 . . . . . . . . 7223 1 400 . 1 1 32 32 GLN HE21 H 1 7.520 . . 1 . . . . . . . . 7223 1 401 . 1 1 32 32 GLN HE22 H 1 6.842 . . 1 . . . . . . . . 7223 1 402 . 1 1 32 32 GLN C C 13 179.585 . . 1 . . . . . . . . 7223 1 403 . 1 1 32 32 GLN CA C 13 59.195 . . 1 . . . . . . . . 7223 1 404 . 1 1 32 32 GLN CB C 13 28.033 . . 1 . . . . . . . . 7223 1 405 . 1 1 32 32 GLN CG C 13 33.900 . . 1 . . . . . . . . 7223 1 406 . 1 1 32 32 GLN N N 15 118.256 . . 1 . . . . . . . . 7223 1 407 . 1 1 32 32 GLN NE2 N 15 112.294 . . 1 . . . . . . . . 7223 1 408 . 1 1 33 33 GLN H H 1 7.624 . . 1 . . . . . . . . 7223 1 409 . 1 1 33 33 GLN HA H 1 4.154 . . 1 . . . . . . . . 7223 1 410 . 1 1 33 33 GLN HB2 H 1 2.378 . . 1 . . . . . . . . 7223 1 411 . 1 1 33 33 GLN HB3 H 1 2.378 . . 1 . . . . . . . . 7223 1 412 . 1 1 33 33 GLN HG2 H 1 2.493 . . 2 . . . . . . . . 7223 1 413 . 1 1 33 33 GLN HG3 H 1 2.370 . . 2 . . . . . . . . 7223 1 414 . 1 1 33 33 GLN HE21 H 1 7.436 . . 1 . . . . . . . . 7223 1 415 . 1 1 33 33 GLN HE22 H 1 6.995 . . 1 . . . . . . . . 7223 1 416 . 1 1 33 33 GLN C C 13 179.413 . . 1 . . . . . . . . 7223 1 417 . 1 1 33 33 GLN CA C 13 59.452 . . 1 . . . . . . . . 7223 1 418 . 1 1 33 33 GLN CB C 13 30.023 . . 1 . . . . . . . . 7223 1 419 . 1 1 33 33 GLN CG C 13 34.862 . . 1 . . . . . . . . 7223 1 420 . 1 1 33 33 GLN N N 15 120.257 . . 1 . . . . . . . . 7223 1 421 . 1 1 33 33 GLN NE2 N 15 110.936 . . 1 . . . . . . . . 7223 1 422 . 1 1 34 34 VAL H H 1 8.457 . . 1 . . . . . . . . 7223 1 423 . 1 1 34 34 VAL HA H 1 4.261 . . 1 . . . . . . . . 7223 1 424 . 1 1 34 34 VAL HB H 1 2.063 . . 1 . . . . . . . . 7223 1 425 . 1 1 34 34 VAL HG11 H 1 0.517 . . 1 . . . . . . . . 7223 1 426 . 1 1 34 34 VAL HG12 H 1 0.517 . . 1 . . . . . . . . 7223 1 427 . 1 1 34 34 VAL HG13 H 1 0.517 . . 1 . . . . . . . . 7223 1 428 . 1 1 34 34 VAL HG21 H 1 0.485 . . 1 . . . . . . . . 7223 1 429 . 1 1 34 34 VAL HG22 H 1 0.485 . . 1 . . . . . . . . 7223 1 430 . 1 1 34 34 VAL HG23 H 1 0.485 . . 1 . . . . . . . . 7223 1 431 . 1 1 34 34 VAL C C 13 178.056 . . 1 . . . . . . . . 7223 1 432 . 1 1 34 34 VAL CA C 13 64.373 . . 1 . . . . . . . . 7223 1 433 . 1 1 34 34 VAL CB C 13 32.221 . . 1 . . . . . . . . 7223 1 434 . 1 1 34 34 VAL CG1 C 13 22.633 . . 1 . . . . . . . . 7223 1 435 . 1 1 34 34 VAL CG2 C 13 22.573 . . 1 . . . . . . . . 7223 1 436 . 1 1 34 34 VAL N N 15 122.700 . . 1 . . . . . . . . 7223 1 437 . 1 1 35 35 SER H H 1 9.112 . . 1 . . . . . . . . 7223 1 438 . 1 1 35 35 SER HA H 1 4.281 . . 1 . . . . . . . . 7223 1 439 . 1 1 35 35 SER HB2 H 1 4.264 . . 2 . . . . . . . . 7223 1 440 . 1 1 35 35 SER HB3 H 1 4.130 . . 2 . . . . . . . . 7223 1 441 . 1 1 35 35 SER C C 13 178.709 . . 1 . . . . . . . . 7223 1 442 . 1 1 35 35 SER CA C 13 61.293 . . 1 . . . . . . . . 7223 1 443 . 1 1 35 35 SER CB C 13 64.111 . . 1 . . . . . . . . 7223 1 444 . 1 1 35 35 SER N N 15 114.647 . . 1 . . . . . . . . 7223 1 445 . 1 1 36 36 GLY H H 1 7.802 . . 1 . . . . . . . . 7223 1 446 . 1 1 36 36 GLY HA2 H 1 3.914 . . 2 . . . . . . . . 7223 1 447 . 1 1 36 36 GLY HA3 H 1 3.897 . . 2 . . . . . . . . 7223 1 448 . 1 1 36 36 GLY C C 13 174.959 . . 1 . . . . . . . . 7223 1 449 . 1 1 36 36 GLY CA C 13 46.831 . . 1 . . . . . . . . 7223 1 450 . 1 1 36 36 GLY N N 15 105.280 . . 1 . . . . . . . . 7223 1 451 . 1 1 37 37 LEU H H 1 7.618 . . 1 . . . . . . . . 7223 1 452 . 1 1 37 37 LEU HA H 1 4.248 . . 1 . . . . . . . . 7223 1 453 . 1 1 37 37 LEU HB2 H 1 2.020 . . 2 . . . . . . . . 7223 1 454 . 1 1 37 37 LEU HB3 H 1 1.839 . . 2 . . . . . . . . 7223 1 455 . 1 1 37 37 LEU HG H 1 1.615 . . 1 . . . . . . . . 7223 1 456 . 1 1 37 37 LEU HD11 H 1 0.795 . . 1 . . . . . . . . 7223 1 457 . 1 1 37 37 LEU HD12 H 1 0.795 . . 1 . . . . . . . . 7223 1 458 . 1 1 37 37 LEU HD13 H 1 0.795 . . 1 . . . . . . . . 7223 1 459 . 1 1 37 37 LEU HD21 H 1 0.759 . . 1 . . . . . . . . 7223 1 460 . 1 1 37 37 LEU HD22 H 1 0.759 . . 1 . . . . . . . . 7223 1 461 . 1 1 37 37 LEU HD23 H 1 0.759 . . 1 . . . . . . . . 7223 1 462 . 1 1 37 37 LEU C C 13 179.970 . . 1 . . . . . . . . 7223 1 463 . 1 1 37 37 LEU CA C 13 58.291 . . 1 . . . . . . . . 7223 1 464 . 1 1 37 37 LEU CB C 13 42.411 . . 1 . . . . . . . . 7223 1 465 . 1 1 37 37 LEU CG C 13 28.125 . . 1 . . . . . . . . 7223 1 466 . 1 1 37 37 LEU CD1 C 13 25.276 . . 1 . . . . . . . . 7223 1 467 . 1 1 37 37 LEU CD2 C 13 23.816 . . 1 . . . . . . . . 7223 1 468 . 1 1 37 37 LEU N N 15 122.786 . . 1 . . . . . . . . 7223 1 469 . 1 1 38 38 GLU H H 1 8.956 . . 1 . . . . . . . . 7223 1 470 . 1 1 38 38 GLU HA H 1 4.152 . . 1 . . . . . . . . 7223 1 471 . 1 1 38 38 GLU HB2 H 1 2.031 . . 2 . . . . . . . . 7223 1 472 . 1 1 38 38 GLU HB3 H 1 1.478 . . 2 . . . . . . . . 7223 1 473 . 1 1 38 38 GLU HG2 H 1 2.381 . . 2 . . . . . . . . 7223 1 474 . 1 1 38 38 GLU HG3 H 1 2.145 . . 2 . . . . . . . . 7223 1 475 . 1 1 38 38 GLU C C 13 178.004 . . 1 . . . . . . . . 7223 1 476 . 1 1 38 38 GLU CA C 13 56.274 . . 1 . . . . . . . . 7223 1 477 . 1 1 38 38 GLU CB C 13 29.330 . . 1 . . . . . . . . 7223 1 478 . 1 1 38 38 GLU CG C 13 35.182 . . 1 . . . . . . . . 7223 1 479 . 1 1 38 38 GLU N N 15 115.134 . . 1 . . . . . . . . 7223 1 480 . 1 1 39 39 GLY H H 1 7.940 . . 1 . . . . . . . . 7223 1 481 . 1 1 39 39 GLY HA2 H 1 3.888 . . 2 . . . . . . . . 7223 1 482 . 1 1 39 39 GLY HA3 H 1 3.887 . . 2 . . . . . . . . 7223 1 483 . 1 1 39 39 GLY C C 13 174.054 . . 1 . . . . . . . . 7223 1 484 . 1 1 39 39 GLY CA C 13 46.629 . . 1 . . . . . . . . 7223 1 485 . 1 1 39 39 GLY N N 15 108.013 . . 1 . . . . . . . . 7223 1 486 . 1 1 40 40 VAL H H 1 6.862 . . 1 . . . . . . . . 7223 1 487 . 1 1 40 40 VAL HA H 1 4.307 . . 1 . . . . . . . . 7223 1 488 . 1 1 40 40 VAL HB H 1 1.448 . . 1 . . . . . . . . 7223 1 489 . 1 1 40 40 VAL HG11 H 1 0.957 . . 1 . . . . . . . . 7223 1 490 . 1 1 40 40 VAL HG12 H 1 0.957 . . 1 . . . . . . . . 7223 1 491 . 1 1 40 40 VAL HG13 H 1 0.957 . . 1 . . . . . . . . 7223 1 492 . 1 1 40 40 VAL HG21 H 1 0.724 . . 1 . . . . . . . . 7223 1 493 . 1 1 40 40 VAL HG22 H 1 0.724 . . 1 . . . . . . . . 7223 1 494 . 1 1 40 40 VAL HG23 H 1 0.724 . . 1 . . . . . . . . 7223 1 495 . 1 1 40 40 VAL C C 13 175.086 . . 1 . . . . . . . . 7223 1 496 . 1 1 40 40 VAL CA C 13 60.087 . . 1 . . . . . . . . 7223 1 497 . 1 1 40 40 VAL CB C 13 34.887 . . 1 . . . . . . . . 7223 1 498 . 1 1 40 40 VAL CG1 C 13 21.851 . . 1 . . . . . . . . 7223 1 499 . 1 1 40 40 VAL CG2 C 13 20.886 . . 1 . . . . . . . . 7223 1 500 . 1 1 40 40 VAL N N 15 117.104 . . 1 . . . . . . . . 7223 1 501 . 1 1 41 41 GLN H H 1 8.738 . . 1 . . . . . . . . 7223 1 502 . 1 1 41 41 GLN HA H 1 4.157 . . 1 . . . . . . . . 7223 1 503 . 1 1 41 41 GLN HB2 H 1 2.228 . . 2 . . . . . . . . 7223 1 504 . 1 1 41 41 GLN HB3 H 1 2.059 . . 2 . . . . . . . . 7223 1 505 . 1 1 41 41 GLN HG2 H 1 2.515 . . 1 . . . . . . . . 7223 1 506 . 1 1 41 41 GLN HG3 H 1 2.515 . . 1 . . . . . . . . 7223 1 507 . 1 1 41 41 GLN HE21 H 1 8.205 . . 1 . . . . . . . . 7223 1 508 . 1 1 41 41 GLN HE22 H 1 6.865 . . 1 . . . . . . . . 7223 1 509 . 1 1 41 41 GLN C C 13 176.761 . . 1 . . . . . . . . 7223 1 510 . 1 1 41 41 GLN CA C 13 57.440 . . 1 . . . . . . . . 7223 1 511 . 1 1 41 41 GLN CB C 13 29.622 . . 1 . . . . . . . . 7223 1 512 . 1 1 41 41 GLN CG C 13 34.185 . . 1 . . . . . . . . 7223 1 513 . 1 1 41 41 GLN N N 15 127.986 . . 1 . . . . . . . . 7223 1 514 . 1 1 41 41 GLN NE2 N 15 114.261 . . 1 . . . . . . . . 7223 1 515 . 1 1 42 42 ASP H H 1 8.680 . . 1 . . . . . . . . 7223 1 516 . 1 1 42 42 ASP HA H 1 3.912 . . 1 . . . . . . . . 7223 1 517 . 1 1 42 42 ASP HB2 H 1 2.448 . . 1 . . . . . . . . 7223 1 518 . 1 1 42 42 ASP HB3 H 1 2.448 . . 1 . . . . . . . . 7223 1 519 . 1 1 42 42 ASP C C 13 175.589 . . 1 . . . . . . . . 7223 1 520 . 1 1 42 42 ASP CA C 13 57.297 . . 1 . . . . . . . . 7223 1 521 . 1 1 42 42 ASP CB C 13 40.735 . . 1 . . . . . . . . 7223 1 522 . 1 1 42 42 ASP N N 15 120.489 . . 1 . . . . . . . . 7223 1 523 . 1 1 43 43 ASP H H 1 8.248 . . 1 . . . . . . . . 7223 1 524 . 1 1 43 43 ASP HA H 1 4.466 . . 1 . . . . . . . . 7223 1 525 . 1 1 43 43 ASP HB2 H 1 2.715 . . 2 . . . . . . . . 7223 1 526 . 1 1 43 43 ASP HB3 H 1 2.591 . . 2 . . . . . . . . 7223 1 527 . 1 1 43 43 ASP C C 13 177.368 . . 1 . . . . . . . . 7223 1 528 . 1 1 43 43 ASP CA C 13 54.450 . . 1 . . . . . . . . 7223 1 529 . 1 1 43 43 ASP CB C 13 39.697 . . 1 . . . . . . . . 7223 1 530 . 1 1 43 43 ASP N N 15 113.443 . . 1 . . . . . . . . 7223 1 531 . 1 1 44 44 LEU H H 1 8.095 . . 1 . . . . . . . . 7223 1 532 . 1 1 44 44 LEU HA H 1 4.480 . . 1 . . . . . . . . 7223 1 533 . 1 1 44 44 LEU HB2 H 1 1.965 . . 2 . . . . . . . . 7223 1 534 . 1 1 44 44 LEU HB3 H 1 1.867 . . 2 . . . . . . . . 7223 1 535 . 1 1 44 44 LEU HG H 1 1.669 . . 1 . . . . . . . . 7223 1 536 . 1 1 44 44 LEU HD11 H 1 0.974 . . 1 . . . . . . . . 7223 1 537 . 1 1 44 44 LEU HD12 H 1 0.974 . . 1 . . . . . . . . 7223 1 538 . 1 1 44 44 LEU HD13 H 1 0.974 . . 1 . . . . . . . . 7223 1 539 . 1 1 44 44 LEU HD21 H 1 0.813 . . 1 . . . . . . . . 7223 1 540 . 1 1 44 44 LEU HD22 H 1 0.813 . . 1 . . . . . . . . 7223 1 541 . 1 1 44 44 LEU HD23 H 1 0.813 . . 1 . . . . . . . . 7223 1 542 . 1 1 44 44 LEU C C 13 176.043 . . 1 . . . . . . . . 7223 1 543 . 1 1 44 44 LEU CA C 13 54.621 . . 1 . . . . . . . . 7223 1 544 . 1 1 44 44 LEU CB C 13 42.060 . . 1 . . . . . . . . 7223 1 545 . 1 1 44 44 LEU CG C 13 26.893 . . 1 . . . . . . . . 7223 1 546 . 1 1 44 44 LEU CD1 C 13 25.606 . . 1 . . . . . . . . 7223 1 547 . 1 1 44 44 LEU CD2 C 13 22.692 . . 1 . . . . . . . . 7223 1 548 . 1 1 44 44 LEU N N 15 118.221 . . 1 . . . . . . . . 7223 1 549 . 1 1 45 45 PHE H H 1 7.510 . . 1 . . . . . . . . 7223 1 550 . 1 1 45 45 PHE HA H 1 5.807 . . 1 . . . . . . . . 7223 1 551 . 1 1 45 45 PHE HB2 H 1 2.910 . . 2 . . . . . . . . 7223 1 552 . 1 1 45 45 PHE HB3 H 1 2.803 . . 2 . . . . . . . . 7223 1 553 . 1 1 45 45 PHE C C 13 172.051 . . 1 . . . . . . . . 7223 1 554 . 1 1 45 45 PHE CA C 13 55.881 . . 1 . . . . . . . . 7223 1 555 . 1 1 45 45 PHE CB C 13 43.105 . . 1 . . . . . . . . 7223 1 556 . 1 1 45 45 PHE N N 15 113.823 . . 1 . . . . . . . . 7223 1 557 . 1 1 45 45 PHE CD1 C 13 133.22 . . 3 . . . . . . . . 7223 1 558 . 1 1 45 45 PHE CD2 C 13 133.22 . . 3 . . . . . . . . 7223 1 559 . 1 1 45 45 PHE CE1 C 13 130.93 . . 3 . . . . . . . . 7223 1 560 . 1 1 45 45 PHE CE2 C 13 130.93 . . 3 . . . . . . . . 7223 1 561 . 1 1 45 45 PHE CZ C 13 129.25 . . 1 . . . . . . . . 7223 1 562 . 1 1 45 45 PHE HD1 H 1 6.837 . . 3 . . . . . . . . 7223 1 563 . 1 1 45 45 PHE HD2 H 1 6.837 . . 3 . . . . . . . . 7223 1 564 . 1 1 45 45 PHE HE1 H 1 6.998 . . 3 . . . . . . . . 7223 1 565 . 1 1 45 45 PHE HE2 H 1 6.998 . . 3 . . . . . . . . 7223 1 566 . 1 1 45 45 PHE HZ H 1 7.496 . . 1 . . . . . . . . 7223 1 567 . 1 1 46 46 TRP H H 1 9.157 . . 1 . . . . . . . . 7223 1 568 . 1 1 46 46 TRP HA H 1 4.788 . . 1 . . . . . . . . 7223 1 569 . 1 1 46 46 TRP HB2 H 1 3.585 . . 1 . . . . . . . . 7223 1 570 . 1 1 46 46 TRP HB3 H 1 3.177 . . 1 . . . . . . . . 7223 1 571 . 1 1 46 46 TRP HE1 H 1 10.049 . . 1 . . . . . . . . 7223 1 572 . 1 1 46 46 TRP C C 13 173.522 . . 1 . . . . . . . . 7223 1 573 . 1 1 46 46 TRP CA C 13 56.008 . . 1 . . . . . . . . 7223 1 574 . 1 1 46 46 TRP CB C 13 32.222 . . 1 . . . . . . . . 7223 1 575 . 1 1 46 46 TRP N N 15 118.633 . . 1 . . . . . . . . 7223 1 576 . 1 1 46 46 TRP NE1 N 15 129.512 . . 1 . . . . . . . . 7223 1 577 . 1 1 46 46 TRP CD1 C 13 127.05 . . 1 . . . . . . . . 7223 1 578 . 1 1 46 46 TRP CZ2 C 13 114.38 . . 1 . . . . . . . . 7223 1 579 . 1 1 46 46 TRP CH2 C 13 124.95 . . 1 . . . . . . . . 7223 1 580 . 1 1 46 46 TRP CZ3 C 13 121.97 . . 1 . . . . . . . . 7223 1 581 . 1 1 46 46 TRP CE3 C 13 121.72 . . 1 . . . . . . . . 7223 1 582 . 1 1 46 46 TRP HD1 H 1 6.911 . . 1 . . . . . . . . 7223 1 583 . 1 1 46 46 TRP HZ2 H 1 7.322 . . 1 . . . . . . . . 7223 1 584 . 1 1 46 46 TRP HH2 H 1 7.089 . . 1 . . . . . . . . 7223 1 585 . 1 1 46 46 TRP HZ3 H 1 6.718 . . 1 . . . . . . . . 7223 1 586 . 1 1 46 46 TRP HE3 H 1 7.278 . . 1 . . . . . . . . 7223 1 587 . 1 1 47 47 LEU H H 1 10.043 . . 1 . . . . . . . . 7223 1 588 . 1 1 47 47 LEU HA H 1 5.661 . . 1 . . . . . . . . 7223 1 589 . 1 1 47 47 LEU HB2 H 1 1.748 . . 2 . . . . . . . . 7223 1 590 . 1 1 47 47 LEU HB3 H 1 1.173 . . 2 . . . . . . . . 7223 1 591 . 1 1 47 47 LEU HG H 1 1.656 . . 1 . . . . . . . . 7223 1 592 . 1 1 47 47 LEU HD11 H 1 0.741 . . 2 . . . . . . . . 7223 1 593 . 1 1 47 47 LEU HD12 H 1 0.741 . . 2 . . . . . . . . 7223 1 594 . 1 1 47 47 LEU HD13 H 1 0.741 . . 2 . . . . . . . . 7223 1 595 . 1 1 47 47 LEU HD21 H 1 0.823 . . 2 . . . . . . . . 7223 1 596 . 1 1 47 47 LEU HD22 H 1 0.823 . . 2 . . . . . . . . 7223 1 597 . 1 1 47 47 LEU HD23 H 1 0.823 . . 2 . . . . . . . . 7223 1 598 . 1 1 47 47 LEU C C 13 176.687 . . 1 . . . . . . . . 7223 1 599 . 1 1 47 47 LEU CA C 13 52.739 . . 1 . . . . . . . . 7223 1 600 . 1 1 47 47 LEU CB C 13 44.254 . . 1 . . . . . . . . 7223 1 601 . 1 1 47 47 LEU CG C 13 26.989 . . 1 . . . . . . . . 7223 1 602 . 1 1 47 47 LEU CD1 C 13 26.149 . . 2 . . . . . . . . 7223 1 603 . 1 1 47 47 LEU CD2 C 13 23.072 . . 2 . . . . . . . . 7223 1 604 . 1 1 47 47 LEU N N 15 123.198 . . 1 . . . . . . . . 7223 1 605 . 1 1 48 48 THR H H 1 8.838 . . 1 . . . . . . . . 7223 1 606 . 1 1 48 48 THR HA H 1 5.296 . . 1 . . . . . . . . 7223 1 607 . 1 1 48 48 THR HB H 1 3.702 . . 1 . . . . . . . . 7223 1 608 . 1 1 48 48 THR HG21 H 1 1.026 . . 1 . . . . . . . . 7223 1 609 . 1 1 48 48 THR HG22 H 1 1.026 . . 1 . . . . . . . . 7223 1 610 . 1 1 48 48 THR HG23 H 1 1.026 . . 1 . . . . . . . . 7223 1 611 . 1 1 48 48 THR C C 13 173.557 . . 1 . . . . . . . . 7223 1 612 . 1 1 48 48 THR CA C 13 59.016 . . 1 . . . . . . . . 7223 1 613 . 1 1 48 48 THR CB C 13 72.627 . . 1 . . . . . . . . 7223 1 614 . 1 1 48 48 THR CG2 C 13 22.525 . . 1 . . . . . . . . 7223 1 615 . 1 1 48 48 THR N N 15 109.952 . . 1 . . . . . . . . 7223 1 616 . 1 1 49 49 PHE H H 1 8.708 . . 1 . . . . . . . . 7223 1 617 . 1 1 49 49 PHE HA H 1 5.144 . . 1 . . . . . . . . 7223 1 618 . 1 1 49 49 PHE HB2 H 1 2.926 . . 2 . . . . . . . . 7223 1 619 . 1 1 49 49 PHE HB3 H 1 2.789 . . 2 . . . . . . . . 7223 1 620 . 1 1 49 49 PHE C C 13 174.719 . . 1 . . . . . . . . 7223 1 621 . 1 1 49 49 PHE CA C 13 56.375 . . 1 . . . . . . . . 7223 1 622 . 1 1 49 49 PHE CB C 13 43.034 . . 1 . . . . . . . . 7223 1 623 . 1 1 49 49 PHE N N 15 119.803 . . 1 . . . . . . . . 7223 1 624 . 1 1 49 49 PHE CD1 C 13 132.06 . . 3 . . . . . . . . 7223 1 625 . 1 1 49 49 PHE CD2 C 13 132.06 . . 3 . . . . . . . . 7223 1 626 . 1 1 49 49 PHE CE1 C 13 132.02 . . 3 . . . . . . . . 7223 1 627 . 1 1 49 49 PHE CE2 C 13 132.02 . . 3 . . . . . . . . 7223 1 628 . 1 1 49 49 PHE CZ C 13 130.34 . . 1 . . . . . . . . 7223 1 629 . 1 1 49 49 PHE HD1 H 1 7.386 . . 3 . . . . . . . . 7223 1 630 . 1 1 49 49 PHE HD2 H 1 7.386 . . 3 . . . . . . . . 7223 1 631 . 1 1 49 49 PHE HE1 H 1 7.384 . . 3 . . . . . . . . 7223 1 632 . 1 1 49 49 PHE HE2 H 1 7.384 . . 3 . . . . . . . . 7223 1 633 . 1 1 49 49 PHE HZ H 1 7.339 . . 1 . . . . . . . . 7223 1 634 . 1 1 50 50 GLU H H 1 9.289 . . 1 . . . . . . . . 7223 1 635 . 1 1 50 50 GLU HA H 1 3.526 . . 1 . . . . . . . . 7223 1 636 . 1 1 50 50 GLU HB2 H 1 1.824 . . 2 . . . . . . . . 7223 1 637 . 1 1 50 50 GLU HB3 H 1 1.518 . . 2 . . . . . . . . 7223 1 638 . 1 1 50 50 GLU HG2 H 1 1.330 . . 2 . . . . . . . . 7223 1 639 . 1 1 50 50 GLU HG3 H 1 0.959 . . 2 . . . . . . . . 7223 1 640 . 1 1 50 50 GLU C C 13 176.353 . . 1 . . . . . . . . 7223 1 641 . 1 1 50 50 GLU CA C 13 56.948 . . 1 . . . . . . . . 7223 1 642 . 1 1 50 50 GLU CB C 13 26.703 . . 1 . . . . . . . . 7223 1 643 . 1 1 50 50 GLU CG C 13 35.629 . . 1 . . . . . . . . 7223 1 644 . 1 1 50 50 GLU N N 15 128.026 . . 1 . . . . . . . . 7223 1 645 . 1 1 51 51 GLY H H 1 8.508 . . 1 . . . . . . . . 7223 1 646 . 1 1 51 51 GLY HA2 H 1 4.128 . . 2 . . . . . . . . 7223 1 647 . 1 1 51 51 GLY HA3 H 1 3.474 . . 2 . . . . . . . . 7223 1 648 . 1 1 51 51 GLY C C 13 173.779 . . 1 . . . . . . . . 7223 1 649 . 1 1 51 51 GLY CA C 13 45.048 . . 1 . . . . . . . . 7223 1 650 . 1 1 51 51 GLY N N 15 102.873 . . 1 . . . . . . . . 7223 1 651 . 1 1 52 52 LYS H H 1 7.900 . . 1 . . . . . . . . 7223 1 652 . 1 1 52 52 LYS HA H 1 4.896 . . 1 . . . . . . . . 7223 1 653 . 1 1 52 52 LYS HB2 H 1 2.001 . . 2 . . . . . . . . 7223 1 654 . 1 1 52 52 LYS HB3 H 1 1.966 . . 2 . . . . . . . . 7223 1 655 . 1 1 52 52 LYS HG2 H 1 1.556 . . 1 . . . . . . . . 7223 1 656 . 1 1 52 52 LYS HG3 H 1 1.556 . . 1 . . . . . . . . 7223 1 657 . 1 1 52 52 LYS HD2 H 1 1.888 . . 2 . . . . . . . . 7223 1 658 . 1 1 52 52 LYS HD3 H 1 1.843 . . 2 . . . . . . . . 7223 1 659 . 1 1 52 52 LYS HE2 H 1 3.125 . . 1 . . . . . . . . 7223 1 660 . 1 1 52 52 LYS HE3 H 1 3.125 . . 1 . . . . . . . . 7223 1 661 . 1 1 52 52 LYS CA C 13 53.238 . . 1 . . . . . . . . 7223 1 662 . 1 1 52 52 LYS CB C 13 33.871 . . 1 . . . . . . . . 7223 1 663 . 1 1 52 52 LYS CG C 13 24.558 . . 1 . . . . . . . . 7223 1 664 . 1 1 52 52 LYS CD C 13 29.376 . . 1 . . . . . . . . 7223 1 665 . 1 1 52 52 LYS CE C 13 42.232 . . 1 . . . . . . . . 7223 1 666 . 1 1 52 52 LYS N N 15 123.217 . . 1 . . . . . . . . 7223 1 667 . 1 1 52 52 LYS C C 13 173.99 . . 1 . . . . . . . . 7223 1 668 . 1 1 53 53 PRO HA H 1 4.879 . . 1 . . . . . . . . 7223 1 669 . 1 1 53 53 PRO HB2 H 1 2.158 . . 2 . . . . . . . . 7223 1 670 . 1 1 53 53 PRO HB3 H 1 1.924 . . 2 . . . . . . . . 7223 1 671 . 1 1 53 53 PRO HG2 H 1 2.155 . . 2 . . . . . . . . 7223 1 672 . 1 1 53 53 PRO HG3 H 1 1.973 . . 2 . . . . . . . . 7223 1 673 . 1 1 53 53 PRO HD2 H 1 4.026 . . 2 . . . . . . . . 7223 1 674 . 1 1 53 53 PRO HD3 H 1 3.759 . . 2 . . . . . . . . 7223 1 675 . 1 1 53 53 PRO C C 13 175.913 . . 1 . . . . . . . . 7223 1 676 . 1 1 53 53 PRO CA C 13 62.397 . . 1 . . . . . . . . 7223 1 677 . 1 1 53 53 PRO CB C 13 31.854 . . 1 . . . . . . . . 7223 1 678 . 1 1 53 53 PRO CG C 13 27.537 . . 1 . . . . . . . . 7223 1 679 . 1 1 53 53 PRO CD C 13 50.849 . . 1 . . . . . . . . 7223 1 680 . 1 1 54 54 LEU H H 1 8.548 . . 1 . . . . . . . . 7223 1 681 . 1 1 54 54 LEU HA H 1 4.102 . . 1 . . . . . . . . 7223 1 682 . 1 1 54 54 LEU HB2 H 1 1.404 . . 2 . . . . . . . . 7223 1 683 . 1 1 54 54 LEU HB3 H 1 1.181 . . 2 . . . . . . . . 7223 1 684 . 1 1 54 54 LEU HG H 1 0.925 . . 1 . . . . . . . . 7223 1 685 . 1 1 54 54 LEU HD11 H 1 0.455 . . 1 . . . . . . . . 7223 1 686 . 1 1 54 54 LEU HD12 H 1 0.455 . . 1 . . . . . . . . 7223 1 687 . 1 1 54 54 LEU HD13 H 1 0.455 . . 1 . . . . . . . . 7223 1 688 . 1 1 54 54 LEU HD21 H 1 -0.067 . . 1 . . . . . . . . 7223 1 689 . 1 1 54 54 LEU HD22 H 1 -0.067 . . 1 . . . . . . . . 7223 1 690 . 1 1 54 54 LEU HD23 H 1 -0.067 . . 1 . . . . . . . . 7223 1 691 . 1 1 54 54 LEU C C 13 177.142 . . 1 . . . . . . . . 7223 1 692 . 1 1 54 54 LEU CA C 13 54.064 . . 1 . . . . . . . . 7223 1 693 . 1 1 54 54 LEU CB C 13 41.360 . . 1 . . . . . . . . 7223 1 694 . 1 1 54 54 LEU CG C 13 26.882 . . 1 . . . . . . . . 7223 1 695 . 1 1 54 54 LEU CD1 C 13 25.342 . . 1 . . . . . . . . 7223 1 696 . 1 1 54 54 LEU CD2 C 13 21.592 . . 1 . . . . . . . . 7223 1 697 . 1 1 54 54 LEU N N 15 123.240 . . 1 . . . . . . . . 7223 1 698 . 1 1 55 55 GLU H H 1 8.640 . . 1 . . . . . . . . 7223 1 699 . 1 1 55 55 GLU HA H 1 4.418 . . 1 . . . . . . . . 7223 1 700 . 1 1 55 55 GLU HB2 H 1 2.255 . . 2 . . . . . . . . 7223 1 701 . 1 1 55 55 GLU HB3 H 1 2.035 . . 2 . . . . . . . . 7223 1 702 . 1 1 55 55 GLU HG2 H 1 2.318 . . 2 . . . . . . . . 7223 1 703 . 1 1 55 55 GLU HG3 H 1 2.204 . . 2 . . . . . . . . 7223 1 704 . 1 1 55 55 GLU C C 13 175.791 . . 1 . . . . . . . . 7223 1 705 . 1 1 55 55 GLU CA C 13 56.684 . . 1 . . . . . . . . 7223 1 706 . 1 1 55 55 GLU CB C 13 30.676 . . 1 . . . . . . . . 7223 1 707 . 1 1 55 55 GLU CG C 13 36.690 . . 1 . . . . . . . . 7223 1 708 . 1 1 55 55 GLU N N 15 125.557 . . 1 . . . . . . . . 7223 1 709 . 1 1 56 56 ASP H H 1 8.309 . . 1 . . . . . . . . 7223 1 710 . 1 1 56 56 ASP HA H 1 3.953 . . 1 . . . . . . . . 7223 1 711 . 1 1 56 56 ASP HB2 H 1 2.583 . . 2 . . . . . . . . 7223 1 712 . 1 1 56 56 ASP HB3 H 1 2.495 . . 2 . . . . . . . . 7223 1 713 . 1 1 56 56 ASP C C 13 176.200 . . 1 . . . . . . . . 7223 1 714 . 1 1 56 56 ASP CA C 13 57.814 . . 1 . . . . . . . . 7223 1 715 . 1 1 56 56 ASP CB C 13 41.533 . . 1 . . . . . . . . 7223 1 716 . 1 1 56 56 ASP N N 15 120.987 . . 1 . . . . . . . . 7223 1 717 . 1 1 57 57 GLN H H 1 8.723 . . 1 . . . . . . . . 7223 1 718 . 1 1 57 57 GLN HA H 1 4.398 . . 1 . . . . . . . . 7223 1 719 . 1 1 57 57 GLN HB2 H 1 2.223 . . 2 . . . . . . . . 7223 1 720 . 1 1 57 57 GLN HB3 H 1 2.036 . . 2 . . . . . . . . 7223 1 721 . 1 1 57 57 GLN HG2 H 1 2.512 . . 2 . . . . . . . . 7223 1 722 . 1 1 57 57 GLN HG3 H 1 2.333 . . 2 . . . . . . . . 7223 1 723 . 1 1 57 57 GLN HE21 H 1 7.598 . . 1 . . . . . . . . 7223 1 724 . 1 1 57 57 GLN HE22 H 1 6.957 . . 1 . . . . . . . . 7223 1 725 . 1 1 57 57 GLN C C 13 176.230 . . 1 . . . . . . . . 7223 1 726 . 1 1 57 57 GLN CA C 13 56.342 . . 1 . . . . . . . . 7223 1 727 . 1 1 57 57 GLN CB C 13 28.077 . . 1 . . . . . . . . 7223 1 728 . 1 1 57 57 GLN CG C 13 33.590 . . 1 . . . . . . . . 7223 1 729 . 1 1 57 57 GLN N N 15 112.700 . . 1 . . . . . . . . 7223 1 730 . 1 1 57 57 GLN NE2 N 15 112.165 . . 1 . . . . . . . . 7223 1 731 . 1 1 58 58 LEU H H 1 8.012 . . 1 . . . . . . . . 7223 1 732 . 1 1 58 58 LEU HA H 1 4.752 . . 1 . . . . . . . . 7223 1 733 . 1 1 58 58 LEU HB2 H 1 2.170 . . 2 . . . . . . . . 7223 1 734 . 1 1 58 58 LEU HB3 H 1 1.407 . . 2 . . . . . . . . 7223 1 735 . 1 1 58 58 LEU HG H 1 1.647 . . 1 . . . . . . . . 7223 1 736 . 1 1 58 58 LEU HD11 H 1 0.934 . . 1 . . . . . . . . 7223 1 737 . 1 1 58 58 LEU HD12 H 1 0.934 . . 1 . . . . . . . . 7223 1 738 . 1 1 58 58 LEU HD13 H 1 0.934 . . 1 . . . . . . . . 7223 1 739 . 1 1 58 58 LEU HD21 H 1 0.854 . . 1 . . . . . . . . 7223 1 740 . 1 1 58 58 LEU HD22 H 1 0.854 . . 1 . . . . . . . . 7223 1 741 . 1 1 58 58 LEU HD23 H 1 0.854 . . 1 . . . . . . . . 7223 1 742 . 1 1 58 58 LEU CA C 13 52.981 . . 1 . . . . . . . . 7223 1 743 . 1 1 58 58 LEU CB C 13 41.194 . . 1 . . . . . . . . 7223 1 744 . 1 1 58 58 LEU CG C 13 28.135 . . 1 . . . . . . . . 7223 1 745 . 1 1 58 58 LEU CD1 C 13 24.764 . . 1 . . . . . . . . 7223 1 746 . 1 1 58 58 LEU CD2 C 13 23.060 . . 1 . . . . . . . . 7223 1 747 . 1 1 58 58 LEU N N 15 122.694 . . 1 . . . . . . . . 7223 1 748 . 1 1 58 58 LEU C C 13 174.16 . . 1 . . . . . . . . 7223 1 749 . 1 1 59 59 PRO HA H 1 4.717 . . 1 . . . . . . . . 7223 1 750 . 1 1 59 59 PRO HB2 H 1 2.219 . . 2 . . . . . . . . 7223 1 751 . 1 1 59 59 PRO HB3 H 1 1.974 . . 2 . . . . . . . . 7223 1 752 . 1 1 59 59 PRO HG2 H 1 2.132 . . 2 . . . . . . . . 7223 1 753 . 1 1 59 59 PRO HG3 H 1 1.979 . . 2 . . . . . . . . 7223 1 754 . 1 1 59 59 PRO HD2 H 1 3.927 . . 2 . . . . . . . . 7223 1 755 . 1 1 59 59 PRO HD3 H 1 3.583 . . 2 . . . . . . . . 7223 1 756 . 1 1 59 59 PRO C C 13 177.932 . . 1 . . . . . . . . 7223 1 757 . 1 1 59 59 PRO CA C 13 61.758 . . 1 . . . . . . . . 7223 1 758 . 1 1 59 59 PRO CB C 13 31.963 . . 1 . . . . . . . . 7223 1 759 . 1 1 59 59 PRO CG C 13 27.989 . . 1 . . . . . . . . 7223 1 760 . 1 1 59 59 PRO CD C 13 50.760 . . 1 . . . . . . . . 7223 1 761 . 1 1 60 60 LEU H H 1 9.139 . . 1 . . . . . . . . 7223 1 762 . 1 1 60 60 LEU HA H 1 4.011 . . 1 . . . . . . . . 7223 1 763 . 1 1 60 60 LEU HB2 H 1 1.814 . . 2 . . . . . . . . 7223 1 764 . 1 1 60 60 LEU HB3 H 1 1.223 . . 2 . . . . . . . . 7223 1 765 . 1 1 60 60 LEU HG H 1 1.762 . . 1 . . . . . . . . 7223 1 766 . 1 1 60 60 LEU HD11 H 1 0.786 . . 1 . . . . . . . . 7223 1 767 . 1 1 60 60 LEU HD12 H 1 0.786 . . 1 . . . . . . . . 7223 1 768 . 1 1 60 60 LEU HD13 H 1 0.786 . . 1 . . . . . . . . 7223 1 769 . 1 1 60 60 LEU HD21 H 1 0.674 . . 1 . . . . . . . . 7223 1 770 . 1 1 60 60 LEU HD22 H 1 0.674 . . 1 . . . . . . . . 7223 1 771 . 1 1 60 60 LEU HD23 H 1 0.674 . . 1 . . . . . . . . 7223 1 772 . 1 1 60 60 LEU C C 13 179.799 . . 1 . . . . . . . . 7223 1 773 . 1 1 60 60 LEU CA C 13 57.795 . . 1 . . . . . . . . 7223 1 774 . 1 1 60 60 LEU CB C 13 41.899 . . 1 . . . . . . . . 7223 1 775 . 1 1 60 60 LEU CG C 13 26.804 . . 1 . . . . . . . . 7223 1 776 . 1 1 60 60 LEU CD1 C 13 25.846 . . 1 . . . . . . . . 7223 1 777 . 1 1 60 60 LEU CD2 C 13 23.414 . . 1 . . . . . . . . 7223 1 778 . 1 1 60 60 LEU N N 15 122.322 . . 1 . . . . . . . . 7223 1 779 . 1 1 61 61 GLY H H 1 9.008 . . 1 . . . . . . . . 7223 1 780 . 1 1 61 61 GLY HA2 H 1 3.957 . . 2 . . . . . . . . 7223 1 781 . 1 1 61 61 GLY HA3 H 1 3.955 . . 2 . . . . . . . . 7223 1 782 . 1 1 61 61 GLY C C 13 175.697 . . 1 . . . . . . . . 7223 1 783 . 1 1 61 61 GLY CA C 13 47.329 . . 1 . . . . . . . . 7223 1 784 . 1 1 61 61 GLY N N 15 102.140 . . 1 . . . . . . . . 7223 1 785 . 1 1 62 62 GLU H H 1 7.824 . . 1 . . . . . . . . 7223 1 786 . 1 1 62 62 GLU HA H 1 3.995 . . 1 . . . . . . . . 7223 1 787 . 1 1 62 62 GLU HB2 H 1 1.713 . . 2 . . . . . . . . 7223 1 788 . 1 1 62 62 GLU HB3 H 1 1.684 . . 2 . . . . . . . . 7223 1 789 . 1 1 62 62 GLU HG2 H 1 2.058 . . 2 . . . . . . . . 7223 1 790 . 1 1 62 62 GLU HG3 H 1 2.017 . . 2 . . . . . . . . 7223 1 791 . 1 1 62 62 GLU C C 13 177.018 . . 1 . . . . . . . . 7223 1 792 . 1 1 62 62 GLU CA C 13 57.645 . . 1 . . . . . . . . 7223 1 793 . 1 1 62 62 GLU CB C 13 28.718 . . 1 . . . . . . . . 7223 1 794 . 1 1 62 62 GLU CG C 13 36.168 . . 1 . . . . . . . . 7223 1 795 . 1 1 62 62 GLU N N 15 120.611 . . 1 . . . . . . . . 7223 1 796 . 1 1 63 63 TYR H H 1 7.645 . . 1 . . . . . . . . 7223 1 797 . 1 1 63 63 TYR HA H 1 4.480 . . 1 . . . . . . . . 7223 1 798 . 1 1 63 63 TYR HB2 H 1 3.293 . . 2 . . . . . . . . 7223 1 799 . 1 1 63 63 TYR HB3 H 1 2.613 . . 2 . . . . . . . . 7223 1 800 . 1 1 63 63 TYR C C 13 176.558 . . 1 . . . . . . . . 7223 1 801 . 1 1 63 63 TYR CA C 13 58.845 . . 1 . . . . . . . . 7223 1 802 . 1 1 63 63 TYR CB C 13 39.300 . . 1 . . . . . . . . 7223 1 803 . 1 1 63 63 TYR N N 15 114.602 . . 1 . . . . . . . . 7223 1 804 . 1 1 63 63 TYR CD1 C 13 133.23 . . 3 . . . . . . . . 7223 1 805 . 1 1 63 63 TYR CD2 C 13 133.23 . . 3 . . . . . . . . 7223 1 806 . 1 1 63 63 TYR CE1 C 13 119.57 . . 3 . . . . . . . . 7223 1 807 . 1 1 63 63 TYR CE2 C 13 119.57 . . 3 . . . . . . . . 7223 1 808 . 1 1 63 63 TYR HD1 H 1 7.194 . . 3 . . . . . . . . 7223 1 809 . 1 1 63 63 TYR HD2 H 1 7.194 . . 3 . . . . . . . . 7223 1 810 . 1 1 63 63 TYR HE1 H 1 6.837 . . 3 . . . . . . . . 7223 1 811 . 1 1 63 63 TYR HE2 H 1 6.837 . . 3 . . . . . . . . 7223 1 812 . 1 1 64 64 GLY H H 1 7.859 . . 1 . . . . . . . . 7223 1 813 . 1 1 64 64 GLY HA2 H 1 3.910 . . 2 . . . . . . . . 7223 1 814 . 1 1 64 64 GLY HA3 H 1 3.912 . . 2 . . . . . . . . 7223 1 815 . 1 1 64 64 GLY C C 13 174.685 . . 1 . . . . . . . . 7223 1 816 . 1 1 64 64 GLY CA C 13 47.140 . . 1 . . . . . . . . 7223 1 817 . 1 1 64 64 GLY N N 15 107.005 . . 1 . . . . . . . . 7223 1 818 . 1 1 65 65 LEU H H 1 6.508 . . 1 . . . . . . . . 7223 1 819 . 1 1 65 65 LEU HA H 1 3.514 . . 1 . . . . . . . . 7223 1 820 . 1 1 65 65 LEU HB2 H 1 1.144 . . 2 . . . . . . . . 7223 1 821 . 1 1 65 65 LEU HB3 H 1 0.935 . . 2 . . . . . . . . 7223 1 822 . 1 1 65 65 LEU HG H 1 1.017 . . 1 . . . . . . . . 7223 1 823 . 1 1 65 65 LEU HD11 H 1 0.443 . . 1 . . . . . . . . 7223 1 824 . 1 1 65 65 LEU HD12 H 1 0.443 . . 1 . . . . . . . . 7223 1 825 . 1 1 65 65 LEU HD13 H 1 0.443 . . 1 . . . . . . . . 7223 1 826 . 1 1 65 65 LEU HD21 H 1 -0.173 . . 1 . . . . . . . . 7223 1 827 . 1 1 65 65 LEU HD22 H 1 -0.173 . . 1 . . . . . . . . 7223 1 828 . 1 1 65 65 LEU HD23 H 1 -0.173 . . 1 . . . . . . . . 7223 1 829 . 1 1 65 65 LEU C C 13 174.775 . . 1 . . . . . . . . 7223 1 830 . 1 1 65 65 LEU CA C 13 55.829 . . 1 . . . . . . . . 7223 1 831 . 1 1 65 65 LEU CB C 13 42.705 . . 1 . . . . . . . . 7223 1 832 . 1 1 65 65 LEU CG C 13 27.511 . . 1 . . . . . . . . 7223 1 833 . 1 1 65 65 LEU CD1 C 13 26.326 . . 1 . . . . . . . . 7223 1 834 . 1 1 65 65 LEU CD2 C 13 22.731 . . 1 . . . . . . . . 7223 1 835 . 1 1 65 65 LEU N N 15 117.038 . . 1 . . . . . . . . 7223 1 836 . 1 1 66 66 LYS H H 1 7.927 . . 1 . . . . . . . . 7223 1 837 . 1 1 66 66 LYS HA H 1 4.631 . . 1 . . . . . . . . 7223 1 838 . 1 1 66 66 LYS HB2 H 1 1.860 . . 2 . . . . . . . . 7223 1 839 . 1 1 66 66 LYS HB3 H 1 1.558 . . 2 . . . . . . . . 7223 1 840 . 1 1 66 66 LYS HG2 H 1 1.517 . . 2 . . . . . . . . 7223 1 841 . 1 1 66 66 LYS HG3 H 1 1.442 . . 2 . . . . . . . . 7223 1 842 . 1 1 66 66 LYS HD2 H 1 1.709 . . 2 . . . . . . . . 7223 1 843 . 1 1 66 66 LYS HD3 H 1 1.656 . . 2 . . . . . . . . 7223 1 844 . 1 1 66 66 LYS HE2 H 1 3.021 . . 1 . . . . . . . . 7223 1 845 . 1 1 66 66 LYS HE3 H 1 3.021 . . 1 . . . . . . . . 7223 1 846 . 1 1 66 66 LYS CA C 13 53.104 . . 1 . . . . . . . . 7223 1 847 . 1 1 66 66 LYS CB C 13 33.352 . . 1 . . . . . . . . 7223 1 848 . 1 1 66 66 LYS CG C 13 24.335 . . 1 . . . . . . . . 7223 1 849 . 1 1 66 66 LYS CD C 13 28.987 . . 1 . . . . . . . . 7223 1 850 . 1 1 66 66 LYS CE C 13 42.323 . . 1 . . . . . . . . 7223 1 851 . 1 1 66 66 LYS N N 15 120.297 . . 1 . . . . . . . . 7223 1 852 . 1 1 66 66 LYS C C 13 172.92 . . 1 . . . . . . . . 7223 1 853 . 1 1 67 67 PRO HA H 1 4.358 . . 1 . . . . . . . . 7223 1 854 . 1 1 67 67 PRO HB2 H 1 2.459 . . 2 . . . . . . . . 7223 1 855 . 1 1 67 67 PRO HB3 H 1 1.842 . . 2 . . . . . . . . 7223 1 856 . 1 1 67 67 PRO HG2 H 1 2.177 . . 2 . . . . . . . . 7223 1 857 . 1 1 67 67 PRO HG3 H 1 1.963 . . 2 . . . . . . . . 7223 1 858 . 1 1 67 67 PRO HD2 H 1 3.725 . . 2 . . . . . . . . 7223 1 859 . 1 1 67 67 PRO HD3 H 1 3.572 . . 2 . . . . . . . . 7223 1 860 . 1 1 67 67 PRO C C 13 177.863 . . 1 . . . . . . . . 7223 1 861 . 1 1 67 67 PRO CA C 13 64.690 . . 1 . . . . . . . . 7223 1 862 . 1 1 67 67 PRO CB C 13 30.927 . . 1 . . . . . . . . 7223 1 863 . 1 1 67 67 PRO CG C 13 28.403 . . 1 . . . . . . . . 7223 1 864 . 1 1 67 67 PRO CD C 13 50.213 . . 1 . . . . . . . . 7223 1 865 . 1 1 68 68 LEU H H 1 9.788 . . 1 . . . . . . . . 7223 1 866 . 1 1 68 68 LEU HA H 1 3.538 . . 1 . . . . . . . . 7223 1 867 . 1 1 68 68 LEU HB2 H 1 2.053 . . 2 . . . . . . . . 7223 1 868 . 1 1 68 68 LEU HB3 H 1 1.621 . . 2 . . . . . . . . 7223 1 869 . 1 1 68 68 LEU HG H 1 1.473 . . 1 . . . . . . . . 7223 1 870 . 1 1 68 68 LEU HD11 H 1 0.853 . . 1 . . . . . . . . 7223 1 871 . 1 1 68 68 LEU HD12 H 1 0.853 . . 1 . . . . . . . . 7223 1 872 . 1 1 68 68 LEU HD13 H 1 0.853 . . 1 . . . . . . . . 7223 1 873 . 1 1 68 68 LEU HD21 H 1 0.706 . . 1 . . . . . . . . 7223 1 874 . 1 1 68 68 LEU HD22 H 1 0.706 . . 1 . . . . . . . . 7223 1 875 . 1 1 68 68 LEU HD23 H 1 0.706 . . 1 . . . . . . . . 7223 1 876 . 1 1 68 68 LEU C C 13 176.291 . . 1 . . . . . . . . 7223 1 877 . 1 1 68 68 LEU CA C 13 56.794 . . 1 . . . . . . . . 7223 1 878 . 1 1 68 68 LEU CB C 13 37.947 . . 1 . . . . . . . . 7223 1 879 . 1 1 68 68 LEU CG C 13 27.091 . . 1 . . . . . . . . 7223 1 880 . 1 1 68 68 LEU CD1 C 13 25.096 . . 1 . . . . . . . . 7223 1 881 . 1 1 68 68 LEU CD2 C 13 22.210 . . 1 . . . . . . . . 7223 1 882 . 1 1 68 68 LEU N N 15 118.650 . . 1 . . . . . . . . 7223 1 883 . 1 1 69 69 SER H H 1 8.317 . . 1 . . . . . . . . 7223 1 884 . 1 1 69 69 SER HA H 1 4.421 . . 1 . . . . . . . . 7223 1 885 . 1 1 69 69 SER HB2 H 1 3.948 . . 2 . . . . . . . . 7223 1 886 . 1 1 69 69 SER HB3 H 1 3.667 . . 2 . . . . . . . . 7223 1 887 . 1 1 69 69 SER C C 13 172.157 . . 1 . . . . . . . . 7223 1 888 . 1 1 69 69 SER CA C 13 61.729 . . 1 . . . . . . . . 7223 1 889 . 1 1 69 69 SER CB C 13 64.963 . . 1 . . . . . . . . 7223 1 890 . 1 1 69 69 SER N N 15 116.650 . . 1 . . . . . . . . 7223 1 891 . 1 1 70 70 THR H H 1 8.571 . . 1 . . . . . . . . 7223 1 892 . 1 1 70 70 THR HA H 1 5.021 . . 1 . . . . . . . . 7223 1 893 . 1 1 70 70 THR HB H 1 3.975 . . 1 . . . . . . . . 7223 1 894 . 1 1 70 70 THR HG21 H 1 0.708 . . 1 . . . . . . . . 7223 1 895 . 1 1 70 70 THR HG22 H 1 0.708 . . 1 . . . . . . . . 7223 1 896 . 1 1 70 70 THR HG23 H 1 0.708 . . 1 . . . . . . . . 7223 1 897 . 1 1 70 70 THR C C 13 173.202 . . 1 . . . . . . . . 7223 1 898 . 1 1 70 70 THR CA C 13 62.674 . . 1 . . . . . . . . 7223 1 899 . 1 1 70 70 THR CB C 13 69.921 . . 1 . . . . . . . . 7223 1 900 . 1 1 70 70 THR CG2 C 13 22.072 . . 1 . . . . . . . . 7223 1 901 . 1 1 70 70 THR N N 15 117.173 . . 1 . . . . . . . . 7223 1 902 . 1 1 71 71 VAL H H 1 9.175 . . 1 . . . . . . . . 7223 1 903 . 1 1 71 71 VAL HA H 1 4.657 . . 1 . . . . . . . . 7223 1 904 . 1 1 71 71 VAL HB H 1 1.994 . . 1 . . . . . . . . 7223 1 905 . 1 1 71 71 VAL HG11 H 1 0.867 . . 1 . . . . . . . . 7223 1 906 . 1 1 71 71 VAL HG12 H 1 0.867 . . 1 . . . . . . . . 7223 1 907 . 1 1 71 71 VAL HG13 H 1 0.867 . . 1 . . . . . . . . 7223 1 908 . 1 1 71 71 VAL HG21 H 1 0.696 . . 1 . . . . . . . . 7223 1 909 . 1 1 71 71 VAL HG22 H 1 0.696 . . 1 . . . . . . . . 7223 1 910 . 1 1 71 71 VAL HG23 H 1 0.696 . . 1 . . . . . . . . 7223 1 911 . 1 1 71 71 VAL C C 13 174.282 . . 1 . . . . . . . . 7223 1 912 . 1 1 71 71 VAL CA C 13 60.309 . . 1 . . . . . . . . 7223 1 913 . 1 1 71 71 VAL CB C 13 33.947 . . 1 . . . . . . . . 7223 1 914 . 1 1 71 71 VAL CG1 C 13 23.625 . . 1 . . . . . . . . 7223 1 915 . 1 1 71 71 VAL CG2 C 13 22.703 . . 1 . . . . . . . . 7223 1 916 . 1 1 71 71 VAL N N 15 128.302 . . 1 . . . . . . . . 7223 1 917 . 1 1 72 72 PHE H H 1 9.172 . . 1 . . . . . . . . 7223 1 918 . 1 1 72 72 PHE HA H 1 4.884 . . 1 . . . . . . . . 7223 1 919 . 1 1 72 72 PHE HB2 H 1 3.026 . . 2 . . . . . . . . 7223 1 920 . 1 1 72 72 PHE HB3 H 1 2.767 . . 2 . . . . . . . . 7223 1 921 . 1 1 72 72 PHE C C 13 175.345 . . 1 . . . . . . . . 7223 1 922 . 1 1 72 72 PHE CA C 13 56.826 . . 1 . . . . . . . . 7223 1 923 . 1 1 72 72 PHE CB C 13 39.994 . . 1 . . . . . . . . 7223 1 924 . 1 1 72 72 PHE N N 15 124.915 . . 1 . . . . . . . . 7223 1 925 . 1 1 72 72 PHE CD1 C 13 131.13 . . 3 . . . . . . . . 7223 1 926 . 1 1 72 72 PHE CD2 C 13 131.13 . . 3 . . . . . . . . 7223 1 927 . 1 1 72 72 PHE CE1 C 13 131.20 . . 3 . . . . . . . . 7223 1 928 . 1 1 72 72 PHE CE2 C 13 131.20 . . 3 . . . . . . . . 7223 1 929 . 1 1 72 72 PHE CZ C 13 129.73 . . 1 . . . . . . . . 7223 1 930 . 1 1 72 72 PHE HD1 H 1 7.162 . . 3 . . . . . . . . 7223 1 931 . 1 1 72 72 PHE HD2 H 1 7.162 . . 3 . . . . . . . . 7223 1 932 . 1 1 72 72 PHE HE1 H 1 7.232 . . 3 . . . . . . . . 7223 1 933 . 1 1 72 72 PHE HE2 H 1 7.232 . . 3 . . . . . . . . 7223 1 934 . 1 1 72 72 PHE HZ H 1 7.218 . . 1 . . . . . . . . 7223 1 935 . 1 1 73 73 MET H H 1 8.102 . . 1 . . . . . . . . 7223 1 936 . 1 1 73 73 MET HA H 1 4.397 . . 1 . . . . . . . . 7223 1 937 . 1 1 73 73 MET HB2 H 1 1.735 . . 2 . . . . . . . . 7223 1 938 . 1 1 73 73 MET HB3 H 1 1.421 . . 2 . . . . . . . . 7223 1 939 . 1 1 73 73 MET HG2 H 1 1.915 . . 2 . . . . . . . . 7223 1 940 . 1 1 73 73 MET HG3 H 1 1.749 . . 2 . . . . . . . . 7223 1 941 . 1 1 73 73 MET HE1 H 1 0.904 . . 1 . . . . . . . . 7223 1 942 . 1 1 73 73 MET HE2 H 1 0.904 . . 1 . . . . . . . . 7223 1 943 . 1 1 73 73 MET HE3 H 1 0.904 . . 1 . . . . . . . . 7223 1 944 . 1 1 73 73 MET C C 13 174.163 . . 1 . . . . . . . . 7223 1 945 . 1 1 73 73 MET CA C 13 56.020 . . 1 . . . . . . . . 7223 1 946 . 1 1 73 73 MET CB C 13 35.002 . . 1 . . . . . . . . 7223 1 947 . 1 1 73 73 MET CG C 13 31.629 . . 1 . . . . . . . . 7223 1 948 . 1 1 73 73 MET CE C 13 15.63 . . 1 . . . . . . . . 7223 1 949 . 1 1 73 73 MET N N 15 119.895 . . 1 . . . . . . . . 7223 1 950 . 1 1 74 74 ASN H H 1 8.509 . . 1 . . . . . . . . 7223 1 951 . 1 1 74 74 ASN HA H 1 4.513 . . 1 . . . . . . . . 7223 1 952 . 1 1 74 74 ASN HB2 H 1 0.981 . . 2 . . . . . . . . 7223 1 953 . 1 1 74 74 ASN HB3 H 1 0.447 . . 2 . . . . . . . . 7223 1 954 . 1 1 74 74 ASN HD21 H 1 5.676 . . 1 . . . . . . . . 7223 1 955 . 1 1 74 74 ASN HD22 H 1 6.553 . . 1 . . . . . . . . 7223 1 956 . 1 1 74 74 ASN C C 13 172.658 . . 1 . . . . . . . . 7223 1 957 . 1 1 74 74 ASN CA C 13 52.067 . . 1 . . . . . . . . 7223 1 958 . 1 1 74 74 ASN CB C 13 39.516 . . 1 . . . . . . . . 7223 1 959 . 1 1 74 74 ASN N N 15 123.408 . . 1 . . . . . . . . 7223 1 960 . 1 1 74 74 ASN ND2 N 15 115.277 . . 1 . . . . . . . . 7223 1 961 . 1 1 75 75 LEU H H 1 8.646 . . 1 . . . . . . . . 7223 1 962 . 1 1 75 75 LEU HA H 1 4.670 . . 1 . . . . . . . . 7223 1 963 . 1 1 75 75 LEU HD11 H 1 0.866 . . 1 . . . . . . . . 7223 1 964 . 1 1 75 75 LEU HD12 H 1 0.866 . . 1 . . . . . . . . 7223 1 965 . 1 1 75 75 LEU HD13 H 1 0.866 . . 1 . . . . . . . . 7223 1 966 . 1 1 75 75 LEU HD21 H 1 0.804 . . 1 . . . . . . . . 7223 1 967 . 1 1 75 75 LEU HD22 H 1 0.804 . . 1 . . . . . . . . 7223 1 968 . 1 1 75 75 LEU HD23 H 1 0.804 . . 1 . . . . . . . . 7223 1 969 . 1 1 75 75 LEU C C 13 177.454 . . 1 . . . . . . . . 7223 1 970 . 1 1 75 75 LEU CA C 13 54.640 . . 1 . . . . . . . . 7223 1 971 . 1 1 75 75 LEU CB C 13 42.452 . . 1 . . . . . . . . 7223 1 972 . 1 1 75 75 LEU CG C 13 27.52 . . 1 . . . . . . . . 7223 1 973 . 1 1 75 75 LEU CD1 C 13 25.17 . . 1 . . . . . . . . 7223 1 974 . 1 1 75 75 LEU CD2 C 13 23.19 . . 1 . . . . . . . . 7223 1 975 . 1 1 75 75 LEU HB2 H 1 1.605 . . 1 . . . . . . . . 7223 1 976 . 1 1 75 75 LEU HB3 H 1 1.605 . . 1 . . . . . . . . 7223 1 977 . 1 1 75 75 LEU HG H 1 1.618 . . 1 . . . . . . . . 7223 1 978 . 1 1 75 75 LEU N N 15 122.458 . . 1 . . . . . . . . 7223 1 979 . 1 1 76 76 ARG H H 1 8.448 . . 1 . . . . . . . . 7223 1 980 . 1 1 76 76 ARG HA H 1 4.513 . . 1 . . . . . . . . 7223 1 981 . 1 1 76 76 ARG HB2 H 1 1.895 . . 2 . . . . . . . . 7223 1 982 . 1 1 76 76 ARG HB3 H 1 1.679 . . 2 . . . . . . . . 7223 1 983 . 1 1 76 76 ARG HG2 H 1 1.727 . . 2 . . . . . . . . 7223 1 984 . 1 1 76 76 ARG HG3 H 1 1.638 . . 2 . . . . . . . . 7223 1 985 . 1 1 76 76 ARG HD2 H 1 3.187 . . 1 . . . . . . . . 7223 1 986 . 1 1 76 76 ARG HD3 H 1 3.187 . . 1 . . . . . . . . 7223 1 987 . 1 1 76 76 ARG C C 13 175.759 . . 1 . . . . . . . . 7223 1 988 . 1 1 76 76 ARG CA C 13 56.295 . . 1 . . . . . . . . 7223 1 989 . 1 1 76 76 ARG CB C 13 31.014 . . 1 . . . . . . . . 7223 1 990 . 1 1 76 76 ARG CG C 13 28.350 . . 1 . . . . . . . . 7223 1 991 . 1 1 76 76 ARG CD C 13 43.388 . . 1 . . . . . . . . 7223 1 992 . 1 1 76 76 ARG N N 15 122.072 . . 1 . . . . . . . . 7223 1 993 . 1 1 77 77 LEU H H 1 8.489 . . 1 . . . . . . . . 7223 1 994 . 1 1 77 77 LEU HA H 1 4.393 . . 1 . . . . . . . . 7223 1 995 . 1 1 77 77 LEU HB2 H 1 1.647 . . 2 . . . . . . . . 7223 1 996 . 1 1 77 77 LEU HB3 H 1 1.523 . . 2 . . . . . . . . 7223 1 997 . 1 1 77 77 LEU HG H 1 1.628 . . 1 . . . . . . . . 7223 1 998 . 1 1 77 77 LEU HD11 H 1 0.898 . . 1 . . . . . . . . 7223 1 999 . 1 1 77 77 LEU HD12 H 1 0.898 . . 1 . . . . . . . . 7223 1 1000 . 1 1 77 77 LEU HD13 H 1 0.898 . . 1 . . . . . . . . 7223 1 1001 . 1 1 77 77 LEU HD21 H 1 0.855 . . 1 . . . . . . . . 7223 1 1002 . 1 1 77 77 LEU HD22 H 1 0.855 . . 1 . . . . . . . . 7223 1 1003 . 1 1 77 77 LEU HD23 H 1 0.855 . . 1 . . . . . . . . 7223 1 1004 . 1 1 77 77 LEU C C 13 177.446 . . 1 . . . . . . . . 7223 1 1005 . 1 1 77 77 LEU CA C 13 54.942 . . 1 . . . . . . . . 7223 1 1006 . 1 1 77 77 LEU CB C 13 42.370 . . 1 . . . . . . . . 7223 1 1007 . 1 1 77 77 LEU CG C 13 27.024 . . 1 . . . . . . . . 7223 1 1008 . 1 1 77 77 LEU CD1 C 13 25.012 . . 1 . . . . . . . . 7223 1 1009 . 1 1 77 77 LEU CD2 C 13 23.411 . . 1 . . . . . . . . 7223 1 1010 . 1 1 77 77 LEU N N 15 123.474 . . 1 . . . . . . . . 7223 1 1011 . 1 1 78 78 ARG H H 1 8.468 . . 1 . . . . . . . . 7223 1 1012 . 1 1 78 78 ARG HA H 1 4.305 . . 1 . . . . . . . . 7223 1 1013 . 1 1 78 78 ARG HB2 H 1 1.838 . . 2 . . . . . . . . 7223 1 1014 . 1 1 78 78 ARG HB3 H 1 1.735 . . 2 . . . . . . . . 7223 1 1015 . 1 1 78 78 ARG HG2 H 1 1.591 . . 1 . . . . . . . . 7223 1 1016 . 1 1 78 78 ARG HG3 H 1 1.591 . . 1 . . . . . . . . 7223 1 1017 . 1 1 78 78 ARG HD2 H 1 3.148 . . 1 . . . . . . . . 7223 1 1018 . 1 1 78 78 ARG HD3 H 1 3.148 . . 1 . . . . . . . . 7223 1 1019 . 1 1 78 78 ARG C C 13 176.764 . . 1 . . . . . . . . 7223 1 1020 . 1 1 78 78 ARG CA C 13 56.138 . . 1 . . . . . . . . 7223 1 1021 . 1 1 78 78 ARG CB C 13 30.808 . . 1 . . . . . . . . 7223 1 1022 . 1 1 78 78 ARG CG C 13 26.995 . . 1 . . . . . . . . 7223 1 1023 . 1 1 78 78 ARG CD C 13 43.281 . . 1 . . . . . . . . 7223 1 1024 . 1 1 78 78 ARG N N 15 122.088 . . 1 . . . . . . . . 7223 1 1025 . 1 1 79 79 GLY H H 1 8.531 . . 1 . . . . . . . . 7223 1 1026 . 1 1 79 79 GLY HA2 H 1 3.928 . . 2 . . . . . . . . 7223 1 1027 . 1 1 79 79 GLY HA3 H 1 3.925 . . 2 . . . . . . . . 7223 1 1028 . 1 1 79 79 GLY C C 13 174.608 . . 1 . . . . . . . . 7223 1 1029 . 1 1 79 79 GLY CA C 13 45.346 . . 1 . . . . . . . . 7223 1 1030 . 1 1 79 79 GLY N N 15 110.332 . . 1 . . . . . . . . 7223 1 1031 . 1 1 80 80 GLY H H 1 8.375 . . 1 . . . . . . . . 7223 1 1032 . 1 1 80 80 GLY HA2 H 1 3.928 . . 2 . . . . . . . . 7223 1 1033 . 1 1 80 80 GLY HA3 H 1 3.925 . . 2 . . . . . . . . 7223 1 1034 . 1 1 80 80 GLY C C 13 174.271 . . 1 . . . . . . . . 7223 1 1035 . 1 1 80 80 GLY CA C 13 45.283 . . 1 . . . . . . . . 7223 1 1036 . 1 1 80 80 GLY N N 15 108.843 . . 1 . . . . . . . . 7223 1 1037 . 1 1 81 81 LEU H H 1 8.125 . . 1 . . . . . . . . 7223 1 1038 . 1 1 81 81 LEU HA H 1 4.254 . . 1 . . . . . . . . 7223 1 1039 . 1 1 81 81 LEU HB2 H 1 1.541 . . 2 . . . . . . . . 7223 1 1040 . 1 1 81 81 LEU HB3 H 1 1.482 . . 2 . . . . . . . . 7223 1 1041 . 1 1 81 81 LEU HG H 1 1.534 . . 1 . . . . . . . . 7223 1 1042 . 1 1 81 81 LEU HD11 H 1 0.851 . . 1 . . . . . . . . 7223 1 1043 . 1 1 81 81 LEU HD12 H 1 0.851 . . 1 . . . . . . . . 7223 1 1044 . 1 1 81 81 LEU HD13 H 1 0.851 . . 1 . . . . . . . . 7223 1 1045 . 1 1 81 81 LEU HD21 H 1 0.790 . . 1 . . . . . . . . 7223 1 1046 . 1 1 81 81 LEU HD22 H 1 0.790 . . 1 . . . . . . . . 7223 1 1047 . 1 1 81 81 LEU HD23 H 1 0.790 . . 1 . . . . . . . . 7223 1 1048 . 1 1 81 81 LEU C C 13 177.457 . . 1 . . . . . . . . 7223 1 1049 . 1 1 81 81 LEU CA C 13 55.217 . . 1 . . . . . . . . 7223 1 1050 . 1 1 81 81 LEU CB C 13 42.347 . . 1 . . . . . . . . 7223 1 1051 . 1 1 81 81 LEU CG C 13 26.962 . . 1 . . . . . . . . 7223 1 1052 . 1 1 81 81 LEU CD1 C 13 24.937 . . 1 . . . . . . . . 7223 1 1053 . 1 1 81 81 LEU CD2 C 13 23.364 . . 1 . . . . . . . . 7223 1 1054 . 1 1 81 81 LEU N N 15 121.273 . . 1 . . . . . . . . 7223 1 1055 . 1 1 82 82 GLU H H 1 8.472 . . 1 . . . . . . . . 7223 1 1056 . 1 1 82 82 GLU N N 15 121.128 . . 1 . . . . . . . . 7223 1 1057 . 1 1 82 82 GLU HA H 1 4.124 . . 1 . . . . . . . . 7223 1 1058 . 1 1 82 82 GLU HB2 H 1 1.837 . . 2 . . . . . . . . 7223 1 1059 . 1 1 82 82 GLU HB3 H 1 1.803 . . 2 . . . . . . . . 7223 1 1060 . 1 1 82 82 GLU HG2 H 1 2.141 . . 2 . . . . . . . . 7223 1 1061 . 1 1 82 82 GLU HG3 H 1 2.064 . . 2 . . . . . . . . 7223 1 1062 . 1 1 82 82 GLU CA C 13 56.696 . . 1 . . . . . . . . 7223 1 1063 . 1 1 82 82 GLU CB C 13 29.968 . . 1 . . . . . . . . 7223 1 1064 . 1 1 82 82 GLU CG C 13 36.068 . . 1 . . . . . . . . 7223 1 1065 . 1 1 83 83 HIS H H 1 8.249 . . 1 . . . . . . . . 7223 1 1066 . 1 1 83 83 HIS N N 15 119.81 . . 1 . . . . . . . . 7223 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 7223 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _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_1 . 7223 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 3 3 GLU H H 1 . . 1 1 3 3 GLU HA H 1 . 5.0 . . 2.0 . . . . . . . . . . . 7223 1 2 3JHNHA . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU HA H 1 . 7.7 . . 2.0 . . . . . . . . . . . 7223 1 3 3JHNHA . 1 1 6 6 SER H H 1 . . 1 1 6 6 SER HA H 1 . 7.3 . . 2.0 . . . . . . . . . . . 7223 1 4 3JHNHA . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE HA H 1 . 8.2 . . 2.0 . . . . . . . . . . . 7223 1 5 3JHNHA . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU HA H 1 . 7.9 . . 2.0 . . . . . . . . . . . 7223 1 6 3JHNHA . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL HA H 1 . 8.5 . . 2.0 . . . . . . . . . . . 7223 1 7 3JHNHA . 1 1 10 10 ARG H H 1 . . 1 1 10 10 ARG HA H 1 . 7.3 . . 2.0 . . . . . . . . . . . 7223 1 8 3JHNHA . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN HA H 1 . 6.8 . . 2.0 . . . . . . . . . . . 7223 1 9 3JHNHA . 1 1 12 12 ASN H H 1 . . 1 1 12 12 ASN HA H 1 . 4.9 . . 2.0 . . . . . . . . . . . 7223 1 10 3JHNHA . 1 1 13 13 LYS H H 1 . . 1 1 13 13 LYS HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 7223 1 11 3JHNHA . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG HA H 1 . 7.5 . . 2.0 . . . . . . . . . . . 7223 1 12 3JHNHA . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 7223 1 13 3JHNHA . 1 1 18 18 THR H H 1 . . 1 1 18 18 THR HA H 1 . 6.9 . . 2.0 . . . . . . . . . . . 7223 1 14 3JHNHA . 1 1 19 19 TYR H H 1 . . 1 1 19 19 TYR HA H 1 . 8.7 . . 2.0 . . . . . . . . . . . 7223 1 15 3JHNHA . 1 1 20 20 GLU H H 1 . . 1 1 20 20 GLU HA H 1 . 7.6 . . 2.0 . . . . . . . . . . . 7223 1 16 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 6.6 . . 2.0 . . . . . . . . . . . 7223 1 17 3JHNHA . 1 1 22 22 ARG H H 1 . . 1 1 22 22 ARG HA H 1 . 8.1 . . 2.0 . . . . . . . . . . . 7223 1 18 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 2.9 . . 2.0 . . . . . . . . . . . 7223 1 19 3JHNHA . 1 1 24 24 THR H H 1 . . 1 1 24 24 THR HA H 1 . 7.0 . . 2.0 . . . . . . . . . . . 7223 1 20 3JHNHA . 1 1 25 25 GLN H H 1 . . 1 1 25 25 GLN HA H 1 . 5.5 . . 2.0 . . . . . . . . . . . 7223 1 21 3JHNHA . 1 1 26 26 THR H H 1 . . 1 1 26 26 THR HA H 1 . 5.7 . . 2.0 . . . . . . . . . . . 7223 1 22 3JHNHA . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA HA H 1 . 2.5 . . 2.0 . . . . . . . . . . . 7223 1 23 3JHNHA . 1 1 29 29 HIS H H 1 . . 1 1 29 29 HIS HA H 1 . 4.5 . . 2.0 . . . . . . . . . . . 7223 1 24 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 4.7 . . 2.0 . . . . . . . . . . . 7223 1 25 3JHNHA . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS HA H 1 . 3.1 . . 2.0 . . . . . . . . . . . 7223 1 26 3JHNHA . 1 1 32 32 GLN H H 1 . . 1 1 32 32 GLN HA H 1 . 4.1 . . 2.0 . . . . . . . . . . . 7223 1 27 3JHNHA . 1 1 33 33 GLN H H 1 . . 1 1 33 33 GLN HA H 1 . 4.8 . . 2.0 . . . . . . . . . . . 7223 1 28 3JHNHA . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER HA H 1 . 2.4 . . 2.0 . . . . . . . . . . . 7223 1 29 3JHNHA . 1 1 37 37 LEU H H 1 . . 1 1 37 37 LEU HA H 1 . 5.6 . . 2.0 . . . . . . . . . . . 7223 1 30 3JHNHA . 1 1 38 38 GLU H H 1 . . 1 1 38 38 GLU HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 7223 1 31 3JHNHA . 1 1 40 40 VAL H H 1 . . 1 1 40 40 VAL HA H 1 . 7.9 . . 2.0 . . . . . . . . . . . 7223 1 32 3JHNHA . 1 1 41 41 GLN H H 1 . . 1 1 41 41 GLN HA H 1 . 3.3 . . 2.0 . . . . . . . . . . . 7223 1 33 3JHNHA . 1 1 43 43 ASP H H 1 . . 1 1 43 43 ASP HA H 1 . 5.4 . . 2.0 . . . . . . . . . . . 7223 1 34 3JHNHA . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU HA H 1 . 7.3 . . 2.0 . . . . . . . . . . . 7223 1 35 3JHNHA . 1 1 45 45 PHE H H 1 . . 1 1 45 45 PHE HA H 1 . 5.7 . . 2.0 . . . . . . . . . . . 7223 1 36 3JHNHA . 1 1 46 46 TRP H H 1 . . 1 1 46 46 TRP HA H 1 . 7.3 . . 2.0 . . . . . . . . . . . 7223 1 37 3JHNHA . 1 1 47 47 LEU H H 1 . . 1 1 47 47 LEU HA H 1 . 7.7 . . 2.0 . . . . . . . . . . . 7223 1 38 3JHNHA . 1 1 48 48 THR H H 1 . . 1 1 48 48 THR HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 7223 1 39 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 7.2 . . 2.0 . . . . . . . . . . . 7223 1 40 3JHNHA . 1 1 54 54 LEU H H 1 . . 1 1 54 54 LEU HA H 1 . 6.4 . . 2.0 . . . . . . . . . . . 7223 1 41 3JHNHA . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU HA H 1 . 6.8 . . 2.0 . . . . . . . . . . . 7223 1 42 3JHNHA . 1 1 57 57 GLN H H 1 . . 1 1 57 57 GLN HA H 1 . 5.5 . . 2.0 . . . . . . . . . . . 7223 1 43 3JHNHA . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU HA H 1 . 6.3 . . 2.0 . . . . . . . . . . . 7223 1 44 3JHNHA . 1 1 60 60 LEU H H 1 . . 1 1 60 60 LEU HA H 1 . 3.1 . . 2.0 . . . . . . . . . . . 7223 1 45 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 5.1 . . 2.0 . . . . . . . . . . . 7223 1 46 3JHNHA . 1 1 63 63 TYR H H 1 . . 1 1 63 63 TYR HA H 1 . 8.0 . . 2.0 . . . . . . . . . . . 7223 1 47 3JHNHA . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU HA H 1 . 4.1 . . 2.0 . . . . . . . . . . . 7223 1 48 3JHNHA . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS HA H 1 . 7.9 . . 2.0 . . . . . . . . . . . 7223 1 49 3JHNHA . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU HA H 1 . 6.2 . . 2.0 . . . . . . . . . . . 7223 1 50 3JHNHA . 1 1 69 69 SER H H 1 . . 1 1 69 69 SER HA H 1 . 4.0 . . 2.0 . . . . . . . . . . . 7223 1 51 3JHNHA . 1 1 70 70 THR H H 1 . . 1 1 70 70 THR HA H 1 . 7.9 . . 2.0 . . . . . . . . . . . 7223 1 52 3JHNHA . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL HA H 1 . 8.5 . . 2.0 . . . . . . . . . . . 7223 1 53 3JHNHA . 1 1 72 72 PHE H H 1 . . 1 1 72 72 PHE HA H 1 . 8.0 . . 2.0 . . . . . . . . . . . 7223 1 54 3JHNHA . 1 1 73 73 MET H H 1 . . 1 1 73 73 MET HA H 1 . 6.6 . . 2.0 . . . . . . . . . . . 7223 1 55 3JHNHA . 1 1 74 74 ASN H H 1 . . 1 1 74 74 ASN HA H 1 . 5.5 . . 2.0 . . . . . . . . . . . 7223 1 56 3JHNHA . 1 1 75 75 LEU H H 1 . . 1 1 75 75 LEU HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 7223 1 57 3JHNHA . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU HA H 1 . 6.4 . . 2.0 . . . . . . . . . . . 7223 1 stop_ save_