data_7218 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7218 _Entry.Title ; 1H, 13C and 15N assignment of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-10 _Entry.Accession_date 2006-07-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Susana Vega-Rocha . . . 7218 2 Ramon Campos-Olivas . . . 7218 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CNIO . 7218 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7218 coupling_constants 1 7218 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 7218 '15N chemical shifts' 127 7218 '1H chemical shifts' 559 7218 'coupling constants' 74 7218 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-16 2006-07-10 update BMRB 'complete entry citation' 7218 1 . . 2006-10-30 2006-07-10 original author 'original release' 7218 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7218 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17043745 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N NMR assignment of the master Rep protein nuclease domain from the Nanovirus FBNYV' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 169 _Citation.Page_last 169 _Citation.Year 2007 _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 Susana Vega-Rocha . . . 7218 1 2 A. Gronenborn M. . . 7218 1 3 B. Gronenborn . . . 7218 1 4 Ramon Campos-Olivas . . . 7218 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7218 _Assembly.ID 1 _Assembly.Name monomer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 monomer 1 $FBNYV_M-Rep_(1-117) . . no native no no . . . 7218 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBNYV_M-Rep_(1-117) _Entity.Sf_category entity _Entity.Sf_framecode FBNYV_M-Rep_(1-117) _Entity.Entry_ID 7218 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal DNA binding domain of M-Rep protein from the nanovirus FBNYV' _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 ; GSSHHHHHHSSGLEVLFQGP HMARQVICWCFTLNNPLSPL SLHDSMKYLVYQTEQGEAGN IHFQGYIEMKKRTSLAGMKK LIPGAHFEKRRGTQGEARAY SMKEDTRLEGPWEYGEFVPT IEDKLREVMNDMKITGKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15866.0 _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 7112 . FBNYV_M-Rep_(2-95) . . . . . 68.12 94 100.00 100.00 1.42e-63 . . . . 7218 1 2 no PDB 2HWT . "Nmr Solution Structure Of The Master-Rep Protein Nuclease Domain (2-95) From The Faba Bean Necrotic Yellows Virus" . . . . . 68.12 94 100.00 100.00 1.42e-63 . . . . 7218 1 3 no EMBL CAA72209 . "putative replicase-associated protein [Faba bean necrotic yellows virus]" . . . . . 84.78 286 100.00 100.00 3.68e-80 . . . . 7218 1 4 no EMBL CAB44020 . "Rep protein [Faba bean necrotic yellows virus]" . . . . . 84.78 286 98.29 98.29 4.81e-78 . . . . 7218 1 5 no GB ACX50503 . "M-Rep protein [Faba bean necrotic yellows virus]" . . . . . 84.78 286 98.29 100.00 2.00e-79 . . . . 7218 1 6 no REF NP_619567 . "Rep protein [Faba bean necrotic yellows virus]" . . . . . 84.78 286 98.29 98.29 4.81e-78 . . . . 7218 1 7 no SP O39828 . "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" . . . . . 84.78 286 100.00 100.00 3.68e-80 . . . . 7218 1 8 no SP Q9WIJ5 . "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" . . . . . 84.78 286 98.29 98.29 4.81e-78 . . . . 7218 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Initiation of nanovirus replication (nuclease)' 7218 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FBNYV M-Rep (1-117)' . 7218 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'M-Rep (1-117) of Faba Bean Necrotic Yellows Virus' 'NCBI taxonomy' 7218 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'FBNYV M-Rep (1-117)' 7218 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 -20 GLY . 7218 1 2 -19 SER . 7218 1 3 -18 SER . 7218 1 4 -17 HIS . 7218 1 5 -16 HIS . 7218 1 6 -15 HIS . 7218 1 7 -14 HIS . 7218 1 8 -13 HIS . 7218 1 9 -12 HIS . 7218 1 10 -11 SER . 7218 1 11 -10 SER . 7218 1 12 -9 GLY . 7218 1 13 -8 LEU . 7218 1 14 -7 GLU . 7218 1 15 -6 VAL . 7218 1 16 -5 LEU . 7218 1 17 -4 PHE . 7218 1 18 -3 GLN . 7218 1 19 -2 GLY . 7218 1 20 -1 PRO . 7218 1 21 0 HIS . 7218 1 22 1 MET . 7218 1 23 2 ALA . 7218 1 24 3 ARG . 7218 1 25 4 GLN . 7218 1 26 5 VAL . 7218 1 27 6 ILE . 7218 1 28 7 CYS . 7218 1 29 8 TRP . 7218 1 30 9 CYS . 7218 1 31 10 PHE . 7218 1 32 11 THR . 7218 1 33 12 LEU . 7218 1 34 13 ASN . 7218 1 35 14 ASN . 7218 1 36 15 PRO . 7218 1 37 16 LEU . 7218 1 38 17 SER . 7218 1 39 18 PRO . 7218 1 40 19 LEU . 7218 1 41 20 SER . 7218 1 42 21 LEU . 7218 1 43 22 HIS . 7218 1 44 23 ASP . 7218 1 45 24 SER . 7218 1 46 25 MET . 7218 1 47 26 LYS . 7218 1 48 27 TYR . 7218 1 49 28 LEU . 7218 1 50 29 VAL . 7218 1 51 30 TYR . 7218 1 52 31 GLN . 7218 1 53 32 THR . 7218 1 54 33 GLU . 7218 1 55 34 GLN . 7218 1 56 35 GLY . 7218 1 57 36 GLU . 7218 1 58 37 ALA . 7218 1 59 38 GLY . 7218 1 60 39 ASN . 7218 1 61 40 ILE . 7218 1 62 41 HIS . 7218 1 63 42 PHE . 7218 1 64 43 GLN . 7218 1 65 44 GLY . 7218 1 66 45 TYR . 7218 1 67 46 ILE . 7218 1 68 47 GLU . 7218 1 69 48 MET . 7218 1 70 49 LYS . 7218 1 71 50 LYS . 7218 1 72 51 ARG . 7218 1 73 52 THR . 7218 1 74 53 SER . 7218 1 75 54 LEU . 7218 1 76 55 ALA . 7218 1 77 56 GLY . 7218 1 78 57 MET . 7218 1 79 58 LYS . 7218 1 80 59 LYS . 7218 1 81 60 LEU . 7218 1 82 61 ILE . 7218 1 83 62 PRO . 7218 1 84 63 GLY . 7218 1 85 64 ALA . 7218 1 86 65 HIS . 7218 1 87 66 PHE . 7218 1 88 67 GLU . 7218 1 89 68 LYS . 7218 1 90 69 ARG . 7218 1 91 70 ARG . 7218 1 92 71 GLY . 7218 1 93 72 THR . 7218 1 94 73 GLN . 7218 1 95 74 GLY . 7218 1 96 75 GLU . 7218 1 97 76 ALA . 7218 1 98 77 ARG . 7218 1 99 78 ALA . 7218 1 100 79 TYR . 7218 1 101 80 SER . 7218 1 102 81 MET . 7218 1 103 82 LYS . 7218 1 104 83 GLU . 7218 1 105 84 ASP . 7218 1 106 85 THR . 7218 1 107 86 ARG . 7218 1 108 87 LEU . 7218 1 109 88 GLU . 7218 1 110 89 GLY . 7218 1 111 90 PRO . 7218 1 112 91 TRP . 7218 1 113 92 GLU . 7218 1 114 93 TYR . 7218 1 115 94 GLY . 7218 1 116 95 GLU . 7218 1 117 96 PHE . 7218 1 118 97 VAL . 7218 1 119 98 PRO . 7218 1 120 99 THR . 7218 1 121 100 ILE . 7218 1 122 101 GLU . 7218 1 123 102 ASP . 7218 1 124 103 LYS . 7218 1 125 104 LEU . 7218 1 126 105 ARG . 7218 1 127 106 GLU . 7218 1 128 107 VAL . 7218 1 129 108 MET . 7218 1 130 109 ASN . 7218 1 131 110 ASP . 7218 1 132 111 MET . 7218 1 133 112 LYS . 7218 1 134 113 ILE . 7218 1 135 114 THR . 7218 1 136 115 GLY . 7218 1 137 116 LYS . 7218 1 138 117 ARG . 7218 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 . GLY 1 1 7218 1 . SER 2 2 7218 1 . SER 3 3 7218 1 . HIS 4 4 7218 1 . HIS 5 5 7218 1 . HIS 6 6 7218 1 . HIS 7 7 7218 1 . HIS 8 8 7218 1 . HIS 9 9 7218 1 . SER 10 10 7218 1 . SER 11 11 7218 1 . GLY 12 12 7218 1 . LEU 13 13 7218 1 . GLU 14 14 7218 1 . VAL 15 15 7218 1 . LEU 16 16 7218 1 . PHE 17 17 7218 1 . GLN 18 18 7218 1 . GLY 19 19 7218 1 . PRO 20 20 7218 1 . HIS 21 21 7218 1 . MET 22 22 7218 1 . ALA 23 23 7218 1 . ARG 24 24 7218 1 . GLN 25 25 7218 1 . VAL 26 26 7218 1 . ILE 27 27 7218 1 . CYS 28 28 7218 1 . TRP 29 29 7218 1 . CYS 30 30 7218 1 . PHE 31 31 7218 1 . THR 32 32 7218 1 . LEU 33 33 7218 1 . ASN 34 34 7218 1 . ASN 35 35 7218 1 . PRO 36 36 7218 1 . LEU 37 37 7218 1 . SER 38 38 7218 1 . PRO 39 39 7218 1 . LEU 40 40 7218 1 . SER 41 41 7218 1 . LEU 42 42 7218 1 . HIS 43 43 7218 1 . ASP 44 44 7218 1 . SER 45 45 7218 1 . MET 46 46 7218 1 . LYS 47 47 7218 1 . TYR 48 48 7218 1 . LEU 49 49 7218 1 . VAL 50 50 7218 1 . TYR 51 51 7218 1 . GLN 52 52 7218 1 . THR 53 53 7218 1 . GLU 54 54 7218 1 . GLN 55 55 7218 1 . GLY 56 56 7218 1 . GLU 57 57 7218 1 . ALA 58 58 7218 1 . GLY 59 59 7218 1 . ASN 60 60 7218 1 . ILE 61 61 7218 1 . HIS 62 62 7218 1 . PHE 63 63 7218 1 . GLN 64 64 7218 1 . GLY 65 65 7218 1 . TYR 66 66 7218 1 . ILE 67 67 7218 1 . GLU 68 68 7218 1 . MET 69 69 7218 1 . LYS 70 70 7218 1 . LYS 71 71 7218 1 . ARG 72 72 7218 1 . THR 73 73 7218 1 . SER 74 74 7218 1 . LEU 75 75 7218 1 . ALA 76 76 7218 1 . GLY 77 77 7218 1 . MET 78 78 7218 1 . LYS 79 79 7218 1 . LYS 80 80 7218 1 . LEU 81 81 7218 1 . ILE 82 82 7218 1 . PRO 83 83 7218 1 . GLY 84 84 7218 1 . ALA 85 85 7218 1 . HIS 86 86 7218 1 . PHE 87 87 7218 1 . GLU 88 88 7218 1 . LYS 89 89 7218 1 . ARG 90 90 7218 1 . ARG 91 91 7218 1 . GLY 92 92 7218 1 . THR 93 93 7218 1 . GLN 94 94 7218 1 . GLY 95 95 7218 1 . GLU 96 96 7218 1 . ALA 97 97 7218 1 . ARG 98 98 7218 1 . ALA 99 99 7218 1 . TYR 100 100 7218 1 . SER 101 101 7218 1 . MET 102 102 7218 1 . LYS 103 103 7218 1 . GLU 104 104 7218 1 . ASP 105 105 7218 1 . THR 106 106 7218 1 . ARG 107 107 7218 1 . LEU 108 108 7218 1 . GLU 109 109 7218 1 . GLY 110 110 7218 1 . PRO 111 111 7218 1 . TRP 112 112 7218 1 . GLU 113 113 7218 1 . TYR 114 114 7218 1 . GLY 115 115 7218 1 . GLU 116 116 7218 1 . PHE 117 117 7218 1 . VAL 118 118 7218 1 . PRO 119 119 7218 1 . THR 120 120 7218 1 . ILE 121 121 7218 1 . GLU 122 122 7218 1 . ASP 123 123 7218 1 . LYS 124 124 7218 1 . LEU 125 125 7218 1 . ARG 126 126 7218 1 . GLU 127 127 7218 1 . VAL 128 128 7218 1 . MET 129 129 7218 1 . ASN 130 130 7218 1 . ASP 131 131 7218 1 . MET 132 132 7218 1 . LYS 133 133 7218 1 . ILE 134 134 7218 1 . THR 135 135 7218 1 . GLY 136 136 7218 1 . LYS 137 137 7218 1 . ARG 138 138 7218 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 7218 _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 $FBNYV_M-Rep_(1-117) . 59817 virus no . 'Faba Bean Necrotic Yellows Virus' . . Viruses Viridiplantae Nanovirus 'Faba Bean Necrotic Yellows Virus' . . . . . . . . . . . . . . . . . . . . . 7218 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 7218 _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 $FBNYV_M-Rep_(1-117) . 'recombinant technology' . . . . . . 'BL21 Rosetta (DE3) plysS' . . . . . . . . . . . . pET . . pET28a . . . . . . 7218 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7218 _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 'FBNYV M-Rep (1-117)' '[U-10% 13C; U-15N]' . . 1 $FBNYV_M-Rep_(1-117) . . 0.4 . . . . . . . 7218 1 2 'Sodium phosphate' . . . . . . . 20 . . . . . . . 7218 1 3 NaCl . . . . . . . 600 . . . . . . . 7218 1 4 DTT . . . . . . . 1 . . . . . . . 7218 1 5 D2O . . . . . . . 8 . . % . . . . 7218 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7218 _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 'FBNYV M-Rep (1-117)' '[U-13C; U-15N]' . . 1 $FBNYV_M-Rep_(1-117) . . 0.4 . . . . . . . 7218 2 2 'Sodium phosphate' . . . . . . . 20 . . . . . . . 7218 2 3 NaCl . . . . . . . 600 . . . . . . . 7218 2 4 DTT . . . . . . . 1 . . . . . . . 7218 2 5 D2O . . . . . . . 8 . . % . . . . 7218 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7218 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 0.6 M NaCl, 1 mM DTT.' 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' 1.264 0.05 M 7218 1 pH 6.6 0.1 pH 7218 1 temperature 293 0.5 K 7218 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7218 _Software.ID 1 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7218 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.20 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 7218 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7218 _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 '2D 1H15N_HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 2 '3D HNCO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 3 '3D HNCACB' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 4 '3D CBCA (CO) NH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 5 '3D HNHA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 6 '3D 15N edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 7 '3D CC (CO) NH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 8 '3D 15N edited TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7218 1 stop_ save_ save_2D_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H15N_HSQC _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBCA_(CO)_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA_(CO)_NH _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA (CO) NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNHA _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 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 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N_edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N_edited_NOESY _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CC_(CO)_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CC_(CO)_NH _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CC (CO) NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N_edited_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N_edited_TOCSY _NMR_spec_expt.Entry_ID 7218 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 15N edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7218 _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 . . . 1 $entry_citation . . 1 $entry_citation 7218 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7218 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7218 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 7218 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7218 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '2D 1H15N_HSQC' 1 $sample_1 isotropic 7218 1 2 '3D HNCO' 2 $sample_2 isotropic 7218 1 3 '3D HNCACB' 2 $sample_2 isotropic 7218 1 4 '3D CBCA (CO) NH' 2 $sample_2 isotropic 7218 1 5 '3D HNHA' 2 $sample_2 isotropic 7218 1 6 '3D 15N edited NOESY' 1 $sample_1 isotropic 7218 1 7 '3D CC (CO) NH' 2 $sample_2 isotropic 7218 1 8 '3D 15N edited TOCSY' 1 $sample_1 isotropic 7218 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 9 9 HIS C C 13 174.695 0.1 . . . . . . -12 HIS C . 7218 1 2 . 1 1 10 10 SER H H 1 8.441 0.05 . . . . . . -11 SER H . 7218 1 3 . 1 1 10 10 SER C C 13 174.636 0.1 . . . . . . -11 SER C . 7218 1 4 . 1 1 10 10 SER CA C 13 58.382 0.1 . . . . . . -11 SER CA . 7218 1 5 . 1 1 10 10 SER CB C 13 64.051 0.1 . . . . . . -11 SER CB . 7218 1 6 . 1 1 10 10 SER N N 15 117.864 0.05 . . . . . . -11 SER N . 7218 1 7 . 1 1 11 11 SER H H 1 8.577 0.05 . . . . . . -10 SER H . 7218 1 8 . 1 1 11 11 SER C C 13 175.077 0.1 . . . . . . -10 SER C . 7218 1 9 . 1 1 11 11 SER CA C 13 58.862 0.1 . . . . . . -10 SER CA . 7218 1 10 . 1 1 11 11 SER CB C 13 64.129 0.1 . . . . . . -10 SER CB . 7218 1 11 . 1 1 11 11 SER N N 15 118.413 0.05 . . . . . . -10 SER N . 7218 1 12 . 1 1 12 12 GLY H H 1 8.498 0.05 . . . . . . -9 GLY H . 7218 1 13 . 1 1 12 12 GLY HA2 H 1 4.003 0.000 . . . . . . -9 GLY HA2 . 7218 1 14 . 1 1 12 12 GLY C C 13 174.213 0.1 . . . . . . -9 GLY C . 7218 1 15 . 1 1 12 12 GLY CA C 13 45.486 0.1 . . . . . . -9 GLY CA . 7218 1 16 . 1 1 12 12 GLY N N 15 110.979 0.05 . . . . . . -9 GLY N . 7218 1 17 . 1 1 13 13 LEU H H 1 8.086 0.05 . . . . . . -8 LEU H . 7218 1 18 . 1 1 13 13 LEU C C 13 177.537 0.1 . . . . . . -8 LEU C . 7218 1 19 . 1 1 13 13 LEU CA C 13 55.383 0.1 . . . . . . -8 LEU CA . 7218 1 20 . 1 1 13 13 LEU CB C 13 42.364 0.1 . . . . . . -8 LEU CB . 7218 1 21 . 1 1 13 13 LEU N N 15 121.419 0.05 . . . . . . -8 LEU N . 7218 1 22 . 1 1 14 14 GLU H H 1 8.504 0.05 . . . . . . -7 GLU H . 7218 1 23 . 1 1 14 14 GLU HA H 1 4.225 0.05 . . . . . . -7 GLU HA . 7218 1 24 . 1 1 14 14 GLU CA C 13 57.093 0.1 . . . . . . -7 GLU CA . 7218 1 25 . 1 1 14 14 GLU CB C 13 29.962 0.1 . . . . . . -7 GLU CB . 7218 1 26 . 1 1 14 14 GLU N N 15 121.703 0.05 . . . . . . -7 GLU N . 7218 1 27 . 1 1 15 15 VAL C C 13 175.962 0.1 . . . . . . -6 VAL C . 7218 1 28 . 1 1 15 15 VAL CA C 13 62.583 0.1 . . . . . . -6 VAL CA . 7218 1 29 . 1 1 15 15 VAL CB C 13 32.457 0.1 . . . . . . -6 VAL CB . 7218 1 30 . 1 1 16 16 LEU H H 1 8.183 0.05 . . . . . . -5 LEU H . 7218 1 31 . 1 1 16 16 LEU HA H 1 4.300 0.05 . . . . . . -5 LEU HA . 7218 1 32 . 1 1 16 16 LEU C C 13 176.969 0.1 . . . . . . -5 LEU C . 7218 1 33 . 1 1 16 16 LEU CA C 13 55.199 0.1 . . . . . . -5 LEU CA . 7218 1 34 . 1 1 16 16 LEU CB C 13 42.333 0.1 . . . . . . -5 LEU CB . 7218 1 35 . 1 1 16 16 LEU N N 15 125.218 0.05 . . . . . . -5 LEU N . 7218 1 36 . 1 1 17 17 PHE H H 1 8.224 0.05 . . . . . . -4 PHE H . 7218 1 37 . 1 1 17 17 PHE HA H 1 4.625 0.05 . . . . . . -4 PHE HA . 7218 1 38 . 1 1 17 17 PHE HB2 H 1 3.082 0.000 . . . . . . -4 PHE HB2 . 7218 1 39 . 1 1 17 17 PHE C C 13 175.449 0.1 . . . . . . -4 PHE C . 7218 1 40 . 1 1 17 17 PHE CA C 13 57.924 0.1 . . . . . . -4 PHE CA . 7218 1 41 . 1 1 17 17 PHE CB C 13 39.464 0.1 . . . . . . -4 PHE CB . 7218 1 42 . 1 1 17 17 PHE N N 15 121.054 0.05 . . . . . . -4 PHE N . 7218 1 43 . 1 1 18 18 GLN H H 1 8.261 0.05 . . . . . . -3 GLN H . 7218 1 44 . 1 1 18 18 GLN HB2 H 1 2.103 0.05 . . . . . . -3 GLN HB2 . 7218 1 45 . 1 1 18 18 GLN C C 13 175.625 0.1 . . . . . . -3 GLN C . 7218 1 46 . 1 1 18 18 GLN CA C 13 55.550 0.1 . . . . . . -3 GLN CA . 7218 1 47 . 1 1 18 18 GLN CB C 13 29.979 0.1 . . . . . . -3 GLN CB . 7218 1 48 . 1 1 18 18 GLN N N 15 122.237 0.05 . . . . . . -3 GLN N . 7218 1 49 . 1 1 19 19 GLY H H 1 7.894 0.05 . . . . . . -2 GLY H . 7218 1 50 . 1 1 19 19 GLY HA2 H 1 4.053 0.000 . . . . . . -2 GLY HA2 . 7218 1 51 . 1 1 19 19 GLY CA C 13 44.910 0.1 . . . . . . -2 GLY CA . 7218 1 52 . 1 1 19 19 GLY N N 15 109.748 0.05 . . . . . . -2 GLY N . 7218 1 53 . 1 1 20 20 PRO C C 13 175.938 0.1 . . . . . . -1 PRO C . 7218 1 54 . 1 1 20 20 PRO CA C 13 62.309 0.1 . . . . . . -1 PRO CA . 7218 1 55 . 1 1 21 21 HIS H H 1 7.681 0.05 . . . . . . 0 HIS H . 7218 1 56 . 1 1 21 21 HIS C C 13 175.505 0.1 . . . . . . 0 HIS C . 7218 1 57 . 1 1 21 21 HIS CA C 13 57.568 0.1 . . . . . . 0 HIS CA . 7218 1 58 . 1 1 21 21 HIS CB C 13 29.979 0.1 . . . . . . 0 HIS CB . 7218 1 59 . 1 1 21 21 HIS N N 15 118.762 0.05 . . . . . . 0 HIS N . 7218 1 60 . 1 1 22 22 MET H H 1 8.113 0.05 . . . . . . 1 MET H . 7218 1 61 . 1 1 22 22 MET HA H 1 4.420 0.05 . . . . . . 1 MET HA . 7218 1 62 . 1 1 22 22 MET HB2 H 1 2.080 0.000 . . . . . . 1 MET HB2 . 7218 1 63 . 1 1 22 22 MET C C 13 175.983 0.1 . . . . . . 1 MET C . 7218 1 64 . 1 1 22 22 MET CA C 13 55.662 0.1 . . . . . . 1 MET CA . 7218 1 65 . 1 1 22 22 MET CB C 13 32.712 0.1 . . . . . . 1 MET CB . 7218 1 66 . 1 1 22 22 MET N N 15 121.054 0.05 . . . . . . 1 MET N . 7218 1 67 . 1 1 23 23 ALA H H 1 8.163 0.05 . . . . . . 2 ALA H . 7218 1 68 . 1 1 23 23 ALA HA H 1 4.291 0.05 . . . . . . 2 ALA HA . 7218 1 69 . 1 1 23 23 ALA HB1 H 1 1.442 0.000 . . . . . . 2 ALA HB . 7218 1 70 . 1 1 23 23 ALA HB2 H 1 1.442 0.000 . . . . . . 2 ALA HB . 7218 1 71 . 1 1 23 23 ALA HB3 H 1 1.442 0.000 . . . . . . 2 ALA HB . 7218 1 72 . 1 1 23 23 ALA C C 13 177.458 0.1 . . . . . . 2 ALA C . 7218 1 73 . 1 1 23 23 ALA CA C 13 52.660 0.1 . . . . . . 2 ALA CA . 7218 1 74 . 1 1 23 23 ALA CB C 13 19.450 0.1 . . . . . . 2 ALA CB . 7218 1 75 . 1 1 23 23 ALA N N 15 124.448 0.05 . . . . . . 2 ALA N . 7218 1 76 . 1 1 24 24 ARG H H 1 8.276 0.05 . . . . . . 3 ARG H . 7218 1 77 . 1 1 24 24 ARG HA H 1 4.360 0.05 . . . . . . 3 ARG HA . 7218 1 78 . 1 1 24 24 ARG HB2 H 1 1.896 0.000 . . . . . . 3 ARG HB2 . 7218 1 79 . 1 1 24 24 ARG HG2 H 1 1.631 0.000 . . . . . . 3 ARG HG2 . 7218 1 80 . 1 1 24 24 ARG C C 13 176.859 0.1 . . . . . . 3 ARG C . 7218 1 81 . 1 1 24 24 ARG CA C 13 57.134 0.1 . . . . . . 3 ARG CA . 7218 1 82 . 1 1 24 24 ARG CB C 13 30.868 0.1 . . . . . . 3 ARG CB . 7218 1 83 . 1 1 24 24 ARG N N 15 119.941 0.05 . . . . . . 3 ARG N . 7218 1 84 . 1 1 25 25 GLN H H 1 8.340 0.05 . . . . . . 4 GLN H . 7218 1 85 . 1 1 25 25 GLN HE21 H 1 7.545 0.05 . . . . . . 4 GLN HE21 . 7218 1 86 . 1 1 25 25 GLN HE22 H 1 6.886 0.05 . . . . . . 4 GLN HE22 . 7218 1 87 . 1 1 25 25 GLN C C 13 177.757 0.1 . . . . . . 4 GLN C . 7218 1 88 . 1 1 25 25 GLN CA C 13 55.935 0.1 . . . . . . 4 GLN CA . 7218 1 89 . 1 1 25 25 GLN CB C 13 29.799 0.1 . . . . . . 4 GLN CB . 7218 1 90 . 1 1 25 25 GLN N N 15 125.143 0.05 . . . . . . 4 GLN N . 7218 1 91 . 1 1 25 25 GLN NE2 N 15 112.741 0.05 . . . . . . 4 GLN NE2 . 7218 1 92 . 1 1 26 26 VAL H H 1 8.043 0.05 . . . . . . 5 VAL H . 7218 1 93 . 1 1 26 26 VAL HA H 1 4.260 0.05 . . . . . . 5 VAL HA . 7218 1 94 . 1 1 26 26 VAL HB H 1 2.014 0.05 . . . . . . 5 VAL HB . 7218 1 95 . 1 1 26 26 VAL C C 13 176.666 0.1 . . . . . . 5 VAL C . 7218 1 96 . 1 1 26 26 VAL CA C 13 62.721 0.1 . . . . . . 5 VAL CA . 7218 1 97 . 1 1 26 26 VAL CB C 13 32.859 0.1 . . . . . . 5 VAL CB . 7218 1 98 . 1 1 26 26 VAL N N 15 121.030 0.05 . . . . . . 5 VAL N . 7218 1 99 . 1 1 27 27 ILE H H 1 8.410 0.05 . . . . . . 6 ILE H . 7218 1 100 . 1 1 27 27 ILE HA H 1 4.490 0.05 . . . . . . 6 ILE HA . 7218 1 101 . 1 1 27 27 ILE HB H 1 2.098 0.05 . . . . . . 6 ILE HB . 7218 1 102 . 1 1 27 27 ILE C C 13 173.592 0.1 . . . . . . 6 ILE C . 7218 1 103 . 1 1 27 27 ILE CA C 13 55.328 0.1 . . . . . . 6 ILE CA . 7218 1 104 . 1 1 27 27 ILE CB C 13 32.480 0.1 . . . . . . 6 ILE CB . 7218 1 105 . 1 1 27 27 ILE N N 15 123.392 0.05 . . . . . . 6 ILE N . 7218 1 106 . 1 1 28 28 CYS H H 1 8.587 0.05 . . . . . . 7 CYS H . 7218 1 107 . 1 1 28 28 CYS HA H 1 4.173 0.05 . . . . . . 7 CYS HA . 7218 1 108 . 1 1 28 28 CYS C C 13 173.600 0.1 . . . . . . 7 CYS C . 7218 1 109 . 1 1 28 28 CYS CA C 13 56.288 0.1 . . . . . . 7 CYS CA . 7218 1 110 . 1 1 28 28 CYS CB C 13 38.820 0.1 . . . . . . 7 CYS CB . 7218 1 111 . 1 1 28 28 CYS N N 15 126.418 0.05 . . . . . . 7 CYS N . 7218 1 112 . 1 1 29 29 TRP H H 1 9.444 0.05 . . . . . . 8 TRP H . 7218 1 113 . 1 1 29 29 TRP HA H 1 5.154 0.05 . . . . . . 8 TRP HA . 7218 1 114 . 1 1 29 29 TRP HB2 H 1 3.299 0.000 . . . . . . 8 TRP HB2 . 7218 1 115 . 1 1 29 29 TRP HD1 H 1 6.815 0.05 . . . . . . 8 TRP HD1 . 7218 1 116 . 1 1 29 29 TRP C C 13 174.724 0.1 . . . . . . 8 TRP C . 7218 1 117 . 1 1 29 29 TRP CA C 13 56.973 0.1 . . . . . . 8 TRP CA . 7218 1 118 . 1 1 29 29 TRP CB C 13 35.175 0.1 . . . . . . 8 TRP CB . 7218 1 119 . 1 1 29 29 TRP N N 15 124.690 0.05 . . . . . . 8 TRP N . 7218 1 120 . 1 1 30 30 CYS H H 1 9.792 0.05 . . . . . . 9 CYS H . 7218 1 121 . 1 1 30 30 CYS HA H 1 5.715 0.05 . . . . . . 9 CYS HA . 7218 1 122 . 1 1 30 30 CYS HB2 H 1 3.455 0.05 . . . . . . 9 CYS HB2 . 7218 1 123 . 1 1 30 30 CYS HB3 H 1 2.968 0.05 . . . . . . 9 CYS HB3 . 7218 1 124 . 1 1 30 30 CYS C C 13 174.209 0.1 . . . . . . 9 CYS C . 7218 1 125 . 1 1 30 30 CYS CA C 13 58.099 0.1 . . . . . . 9 CYS CA . 7218 1 126 . 1 1 30 30 CYS CB C 13 30.070 0.1 . . . . . . 9 CYS CB . 7218 1 127 . 1 1 30 30 CYS N N 15 120.259 0.05 . . . . . . 9 CYS N . 7218 1 128 . 1 1 31 31 PHE H H 1 8.667 0.05 . . . . . . 10 PHE H . 7218 1 129 . 1 1 31 31 PHE HA H 1 5.983 0.05 . . . . . . 10 PHE HA . 7218 1 130 . 1 1 31 31 PHE HD1 H 1 7.333 0.000 . . . . . . 10 PHE HD1 . 7218 1 131 . 1 1 31 31 PHE C C 13 172.920 0.1 . . . . . . 10 PHE C . 7218 1 132 . 1 1 31 31 PHE CA C 13 56.692 0.1 . . . . . . 10 PHE CA . 7218 1 133 . 1 1 31 31 PHE CB C 13 44.044 0.1 . . . . . . 10 PHE CB . 7218 1 134 . 1 1 31 31 PHE N N 15 118.676 0.05 . . . . . . 10 PHE N . 7218 1 135 . 1 1 32 32 THR H H 1 8.259 0.05 . . . . . . 11 THR H . 7218 1 136 . 1 1 32 32 THR HA H 1 5.155 0.05 . . . . . . 11 THR HA . 7218 1 137 . 1 1 32 32 THR HB H 1 3.925 0.05 . . . . . . 11 THR HB . 7218 1 138 . 1 1 32 32 THR HG21 H 1 2.280 0.000 . . . . . . 11 THR HG2 . 7218 1 139 . 1 1 32 32 THR HG22 H 1 2.280 0.000 . . . . . . 11 THR HG2 . 7218 1 140 . 1 1 32 32 THR HG23 H 1 2.280 0.000 . . . . . . 11 THR HG2 . 7218 1 141 . 1 1 32 32 THR C C 13 173.976 0.1 . . . . . . 11 THR C . 7218 1 142 . 1 1 32 32 THR CA C 13 60.455 0.1 . . . . . . 11 THR CA . 7218 1 143 . 1 1 32 32 THR CB C 13 72.696 0.1 . . . . . . 11 THR CB . 7218 1 144 . 1 1 32 32 THR N N 15 110.824 0.05 . . . . . . 11 THR N . 7218 1 145 . 1 1 33 33 LEU H H 1 8.991 0.05 . . . . . . 12 LEU H . 7218 1 146 . 1 1 33 33 LEU HA H 1 4.895 0.05 . . . . . . 12 LEU HA . 7218 1 147 . 1 1 33 33 LEU HB2 H 1 2.017 0.05 . . . . . . 12 LEU HB2 . 7218 1 148 . 1 1 33 33 LEU HB3 H 1 1.132 0.05 . . . . . . 12 LEU HB3 . 7218 1 149 . 1 1 33 33 LEU HG H 1 1.239 0.05 . . . . . . 12 LEU HG . 7218 1 150 . 1 1 33 33 LEU HD11 H 1 0.888 0.000 . . . . . . 12 LEU HD1 . 7218 1 151 . 1 1 33 33 LEU HD12 H 1 0.888 0.000 . . . . . . 12 LEU HD1 . 7218 1 152 . 1 1 33 33 LEU HD13 H 1 0.888 0.000 . . . . . . 12 LEU HD1 . 7218 1 153 . 1 1 33 33 LEU C C 13 174.692 0.1 . . . . . . 12 LEU C . 7218 1 154 . 1 1 33 33 LEU CA C 13 54.040 0.1 . . . . . . 12 LEU CA . 7218 1 155 . 1 1 33 33 LEU CB C 13 46.368 0.1 . . . . . . 12 LEU CB . 7218 1 156 . 1 1 33 33 LEU N N 15 124.789 0.05 . . . . . . 12 LEU N . 7218 1 157 . 1 1 34 34 ASN H H 1 9.223 0.05 . . . . . . 13 ASN H . 7218 1 158 . 1 1 34 34 ASN HA H 1 4.867 0.05 . . . . . . 13 ASN HA . 7218 1 159 . 1 1 34 34 ASN HB2 H 1 2.754 0.000 . . . . . . 13 ASN HB2 . 7218 1 160 . 1 1 34 34 ASN HD21 H 1 7.438 0.05 . . . . . . 13 ASN HD21 . 7218 1 161 . 1 1 34 34 ASN HD22 H 1 6.913 0.05 . . . . . . 13 ASN HD22 . 7218 1 162 . 1 1 34 34 ASN C C 13 173.983 0.1 . . . . . . 13 ASN C . 7218 1 163 . 1 1 34 34 ASN CA C 13 53.718 0.1 . . . . . . 13 ASN CA . 7218 1 164 . 1 1 34 34 ASN CB C 13 39.557 0.1 . . . . . . 13 ASN CB . 7218 1 165 . 1 1 34 34 ASN N N 15 127.809 0.05 . . . . . . 13 ASN N . 7218 1 166 . 1 1 34 34 ASN ND2 N 15 111.775 0.05 . . . . . . 13 ASN ND2 . 7218 1 167 . 1 1 35 35 ASN H H 1 9.153 0.05 . . . . . . 14 ASN H . 7218 1 168 . 1 1 35 35 ASN HA H 1 4.321 0.05 . . . . . . 14 ASN HA . 7218 1 169 . 1 1 35 35 ASN HB2 H 1 2.769 0.000 . . . . . . 14 ASN HB2 . 7218 1 170 . 1 1 35 35 ASN HD21 H 1 7.677 0.05 . . . . . . 14 ASN HD21 . 7218 1 171 . 1 1 35 35 ASN HD22 H 1 7.193 0.05 . . . . . . 14 ASN HD22 . 7218 1 172 . 1 1 35 35 ASN CA C 13 53.661 0.1 . . . . . . 14 ASN CA . 7218 1 173 . 1 1 35 35 ASN CB C 13 38.087 0.1 . . . . . . 14 ASN CB . 7218 1 174 . 1 1 35 35 ASN N N 15 117.159 0.05 . . . . . . 14 ASN N . 7218 1 175 . 1 1 35 35 ASN ND2 N 15 114.720 0.05 . . . . . . 14 ASN ND2 . 7218 1 176 . 1 1 36 36 PRO HA H 1 4.042 0.05 . . . . . . 15 PRO HA . 7218 1 177 . 1 1 36 36 PRO HB2 H 1 1.247 0.000 . . . . . . 15 PRO HB2 . 7218 1 178 . 1 1 36 36 PRO C C 13 178.098 0.1 . . . . . . 15 PRO C . 7218 1 179 . 1 1 36 36 PRO CA C 13 62.587 0.1 . . . . . . 15 PRO CA . 7218 1 180 . 1 1 36 36 PRO CB C 13 33.624 0.1 . . . . . . 15 PRO CB . 7218 1 181 . 1 1 37 37 LEU H H 1 8.876 0.05 . . . . . . 16 LEU H . 7218 1 182 . 1 1 37 37 LEU HA H 1 4.377 0.05 . . . . . . 16 LEU HA . 7218 1 183 . 1 1 37 37 LEU HB2 H 1 1.638 0.000 . . . . . . 16 LEU HB2 . 7218 1 184 . 1 1 37 37 LEU HG H 1 1.584 0.05 . . . . . . 16 LEU HG . 7218 1 185 . 1 1 37 37 LEU HD11 H 1 0.934 0.000 . . . . . . 16 LEU HD1 . 7218 1 186 . 1 1 37 37 LEU HD12 H 1 0.934 0.000 . . . . . . 16 LEU HD1 . 7218 1 187 . 1 1 37 37 LEU HD13 H 1 0.934 0.000 . . . . . . 16 LEU HD1 . 7218 1 188 . 1 1 37 37 LEU HD21 H 1 0.862 0.000 . . . . . . 16 LEU HD2 . 7218 1 189 . 1 1 37 37 LEU HD22 H 1 0.862 0.000 . . . . . . 16 LEU HD2 . 7218 1 190 . 1 1 37 37 LEU HD23 H 1 0.862 0.000 . . . . . . 16 LEU HD2 . 7218 1 191 . 1 1 37 37 LEU C C 13 177.066 0.1 . . . . . . 16 LEU C . 7218 1 192 . 1 1 37 37 LEU CA C 13 55.135 0.1 . . . . . . 16 LEU CA . 7218 1 193 . 1 1 37 37 LEU CB C 13 43.585 0.1 . . . . . . 16 LEU CB . 7218 1 194 . 1 1 37 37 LEU N N 15 120.738 0.05 . . . . . . 16 LEU N . 7218 1 195 . 1 1 38 38 SER H H 1 7.353 0.05 . . . . . . 17 SER H . 7218 1 196 . 1 1 38 38 SER HA H 1 4.932 0.05 . . . . . . 17 SER HA . 7218 1 197 . 1 1 38 38 SER HB2 H 1 3.772 0.000 . . . . . . 17 SER HB2 . 7218 1 198 . 1 1 38 38 SER CA C 13 56.457 0.1 . . . . . . 17 SER CA . 7218 1 199 . 1 1 38 38 SER CB C 13 64.904 0.1 . . . . . . 17 SER CB . 7218 1 200 . 1 1 38 38 SER N N 15 112.971 0.05 . . . . . . 17 SER N . 7218 1 201 . 1 1 39 39 PRO HB2 H 1 2.036 0.05 . . . . . . 18 PRO HB2 . 7218 1 202 . 1 1 39 39 PRO HB3 H 1 1.613 0.05 . . . . . . 18 PRO HB3 . 7218 1 203 . 1 1 39 39 PRO C C 13 176.204 0.1 . . . . . . 18 PRO C . 7218 1 204 . 1 1 39 39 PRO CA C 13 62.844 0.1 . . . . . . 18 PRO CA . 7218 1 205 . 1 1 39 39 PRO CB C 13 32.662 0.1 . . . . . . 18 PRO CB . 7218 1 206 . 1 1 40 40 LEU H H 1 6.947 0.05 . . . . . . 19 LEU H . 7218 1 207 . 1 1 40 40 LEU HA H 1 4.401 0.05 . . . . . . 19 LEU HA . 7218 1 208 . 1 1 40 40 LEU HB2 H 1 1.000 0.000 . . . . . . 19 LEU HB2 . 7218 1 209 . 1 1 40 40 LEU HG H 1 1.120 0.05 . . . . . . 19 LEU HG . 7218 1 210 . 1 1 40 40 LEU HD11 H 1 0.655 0.000 . . . . . . 19 LEU HD1 . 7218 1 211 . 1 1 40 40 LEU HD12 H 1 0.655 0.000 . . . . . . 19 LEU HD1 . 7218 1 212 . 1 1 40 40 LEU HD13 H 1 0.655 0.000 . . . . . . 19 LEU HD1 . 7218 1 213 . 1 1 40 40 LEU HD21 H 1 0.100 0.000 . . . . . . 19 LEU HD2 . 7218 1 214 . 1 1 40 40 LEU HD22 H 1 0.100 0.000 . . . . . . 19 LEU HD2 . 7218 1 215 . 1 1 40 40 LEU HD23 H 1 0.100 0.000 . . . . . . 19 LEU HD2 . 7218 1 216 . 1 1 40 40 LEU C C 13 175.848 0.1 . . . . . . 19 LEU C . 7218 1 217 . 1 1 40 40 LEU CA C 13 53.114 0.1 . . . . . . 19 LEU CA . 7218 1 218 . 1 1 40 40 LEU CB C 13 42.834 0.1 . . . . . . 19 LEU CB . 7218 1 219 . 1 1 40 40 LEU N N 15 119.170 0.05 . . . . . . 19 LEU N . 7218 1 220 . 1 1 41 41 SER H H 1 7.798 0.05 . . . . . . 20 SER H . 7218 1 221 . 1 1 41 41 SER HA H 1 4.072 0.05 . . . . . . 20 SER HA . 7218 1 222 . 1 1 41 41 SER HB2 H 1 3.487 0.000 . . . . . . 20 SER HB2 . 7218 1 223 . 1 1 41 41 SER C C 13 172.154 0.1 . . . . . . 20 SER C . 7218 1 224 . 1 1 41 41 SER CA C 13 56.285 0.1 . . . . . . 20 SER CA . 7218 1 225 . 1 1 41 41 SER CB C 13 65.527 0.1 . . . . . . 20 SER CB . 7218 1 226 . 1 1 41 41 SER N N 15 113.701 0.05 . . . . . . 20 SER N . 7218 1 227 . 1 1 42 42 LEU H H 1 7.912 0.05 . . . . . . 21 LEU H . 7218 1 228 . 1 1 42 42 LEU HA H 1 4.090 0.05 . . . . . . 21 LEU HA . 7218 1 229 . 1 1 42 42 LEU HB2 H 1 1.815 0.05 . . . . . . 21 LEU HB2 . 7218 1 230 . 1 1 42 42 LEU HB3 H 1 0.991 0.05 . . . . . . 21 LEU HB3 . 7218 1 231 . 1 1 42 42 LEU HG H 1 1.495 0.05 . . . . . . 21 LEU HG . 7218 1 232 . 1 1 42 42 LEU HD11 H 1 0.691 0.000 . . . . . . 21 LEU HD1 . 7218 1 233 . 1 1 42 42 LEU HD12 H 1 0.691 0.000 . . . . . . 21 LEU HD1 . 7218 1 234 . 1 1 42 42 LEU HD13 H 1 0.691 0.000 . . . . . . 21 LEU HD1 . 7218 1 235 . 1 1 42 42 LEU C C 13 175.935 0.1 . . . . . . 21 LEU C . 7218 1 236 . 1 1 42 42 LEU CA C 13 54.833 0.1 . . . . . . 21 LEU CA . 7218 1 237 . 1 1 42 42 LEU CB C 13 42.345 0.1 . . . . . . 21 LEU CB . 7218 1 238 . 1 1 42 42 LEU N N 15 121.667 0.05 . . . . . . 21 LEU N . 7218 1 239 . 1 1 43 43 HIS H H 1 8.023 0.05 . . . . . . 22 HIS H . 7218 1 240 . 1 1 43 43 HIS HA H 1 4.395 0.05 . . . . . . 22 HIS HA . 7218 1 241 . 1 1 43 43 HIS HB2 H 1 3.382 0.05 . . . . . . 22 HIS HB2 . 7218 1 242 . 1 1 43 43 HIS HB3 H 1 2.657 0.05 . . . . . . 22 HIS HB3 . 7218 1 243 . 1 1 43 43 HIS C C 13 176.353 0.1 . . . . . . 22 HIS C . 7218 1 244 . 1 1 43 43 HIS CA C 13 57.481 0.1 . . . . . . 22 HIS CA . 7218 1 245 . 1 1 43 43 HIS CB C 13 32.593 0.1 . . . . . . 22 HIS CB . 7218 1 246 . 1 1 43 43 HIS N N 15 134.257 0.05 . . . . . . 22 HIS N . 7218 1 247 . 1 1 44 44 ASP H H 1 8.142 0.05 . . . . . . 23 ASP H . 7218 1 248 . 1 1 44 44 ASP HA H 1 4.383 0.05 . . . . . . 23 ASP HA . 7218 1 249 . 1 1 44 44 ASP HB2 H 1 2.419 0.000 . . . . . . 23 ASP HB2 . 7218 1 250 . 1 1 44 44 ASP C C 13 176.055 0.1 . . . . . . 23 ASP C . 7218 1 251 . 1 1 44 44 ASP CA C 13 57.375 0.1 . . . . . . 23 ASP CA . 7218 1 252 . 1 1 44 44 ASP CB C 13 41.163 0.1 . . . . . . 23 ASP CB . 7218 1 253 . 1 1 44 44 ASP N N 15 125.549 0.05 . . . . . . 23 ASP N . 7218 1 254 . 1 1 45 45 SER H H 1 9.568 0.05 . . . . . . 24 SER H . 7218 1 255 . 1 1 45 45 SER HA H 1 4.505 0.05 . . . . . . 24 SER HA . 7218 1 256 . 1 1 45 45 SER HB2 H 1 4.107 0.000 . . . . . . 24 SER HB2 . 7218 1 257 . 1 1 45 45 SER C C 13 175.923 0.1 . . . . . . 24 SER C . 7218 1 258 . 1 1 45 45 SER CA C 13 59.817 0.1 . . . . . . 24 SER CA . 7218 1 259 . 1 1 45 45 SER CB C 13 63.891 0.1 . . . . . . 24 SER CB . 7218 1 260 . 1 1 45 45 SER N N 15 113.926 0.05 . . . . . . 24 SER N . 7218 1 261 . 1 1 46 46 MET H H 1 8.574 0.05 . . . . . . 25 MET H . 7218 1 262 . 1 1 46 46 MET HA H 1 4.845 0.05 . . . . . . 25 MET HA . 7218 1 263 . 1 1 46 46 MET HB2 H 1 2.385 0.000 . . . . . . 25 MET HB2 . 7218 1 264 . 1 1 46 46 MET HG2 H 1 2.883 0.05 . . . . . . 25 MET HG2 . 7218 1 265 . 1 1 46 46 MET HG3 H 1 2.531 0.05 . . . . . . 25 MET HG3 . 7218 1 266 . 1 1 46 46 MET HE1 H 1 1.872 0.000 . . . . . . 25 MET HE . 7218 1 267 . 1 1 46 46 MET HE2 H 1 1.872 0.000 . . . . . . 25 MET HE . 7218 1 268 . 1 1 46 46 MET HE3 H 1 1.872 0.000 . . . . . . 25 MET HE . 7218 1 269 . 1 1 46 46 MET C C 13 173.612 0.1 . . . . . . 25 MET C . 7218 1 270 . 1 1 46 46 MET CA C 13 56.465 0.1 . . . . . . 25 MET CA . 7218 1 271 . 1 1 46 46 MET CB C 13 33.729 0.1 . . . . . . 25 MET CB . 7218 1 272 . 1 1 46 46 MET N N 15 124.418 0.05 . . . . . . 25 MET N . 7218 1 273 . 1 1 47 47 LYS H H 1 9.558 0.05 . . . . . . 26 LYS H . 7218 1 274 . 1 1 47 47 LYS HA H 1 4.446 0.05 . . . . . . 26 LYS HA . 7218 1 275 . 1 1 47 47 LYS HB2 H 1 1.843 0.05 . . . . . . 26 LYS HB2 . 7218 1 276 . 1 1 47 47 LYS HB3 H 1 1.540 0.05 . . . . . . 26 LYS HB3 . 7218 1 277 . 1 1 47 47 LYS HG2 H 1 1.731 0.000 . . . . . . 26 LYS HG2 . 7218 1 278 . 1 1 47 47 LYS C C 13 176.678 0.1 . . . . . . 26 LYS C . 7218 1 279 . 1 1 47 47 LYS CA C 13 56.181 0.1 . . . . . . 26 LYS CA . 7218 1 280 . 1 1 47 47 LYS CB C 13 32.539 0.1 . . . . . . 26 LYS CB . 7218 1 281 . 1 1 47 47 LYS N N 15 121.731 0.05 . . . . . . 26 LYS N . 7218 1 282 . 1 1 48 48 TYR H H 1 8.467 0.05 . . . . . . 27 TYR H . 7218 1 283 . 1 1 48 48 TYR HA H 1 5.299 0.05 . . . . . . 27 TYR HA . 7218 1 284 . 1 1 48 48 TYR HB2 H 1 3.522 0.05 . . . . . . 27 TYR HB2 . 7218 1 285 . 1 1 48 48 TYR HB3 H 1 2.508 0.05 . . . . . . 27 TYR HB3 . 7218 1 286 . 1 1 48 48 TYR HD1 H 1 6.960 0.000 . . . . . . 27 TYR HD1 . 7218 1 287 . 1 1 48 48 TYR C C 13 171.581 0.1 . . . . . . 27 TYR C . 7218 1 288 . 1 1 48 48 TYR CA C 13 57.051 0.1 . . . . . . 27 TYR CA . 7218 1 289 . 1 1 48 48 TYR CB C 13 43.021 0.1 . . . . . . 27 TYR CB . 7218 1 290 . 1 1 48 48 TYR N N 15 120.690 0.05 . . . . . . 27 TYR N . 7218 1 291 . 1 1 49 49 LEU H H 1 8.200 0.05 . . . . . . 28 LEU H . 7218 1 292 . 1 1 49 49 LEU HA H 1 5.060 0.05 . . . . . . 28 LEU HA . 7218 1 293 . 1 1 49 49 LEU HB2 H 1 1.748 0.05 . . . . . . 28 LEU HB2 . 7218 1 294 . 1 1 49 49 LEU HB3 H 1 1.582 0.05 . . . . . . 28 LEU HB3 . 7218 1 295 . 1 1 49 49 LEU HD11 H 1 0.979 0.000 . . . . . . 28 LEU HD1 . 7218 1 296 . 1 1 49 49 LEU HD12 H 1 0.979 0.000 . . . . . . 28 LEU HD1 . 7218 1 297 . 1 1 49 49 LEU HD13 H 1 0.979 0.000 . . . . . . 28 LEU HD1 . 7218 1 298 . 1 1 49 49 LEU HD21 H 1 0.688 0.000 . . . . . . 28 LEU HD2 . 7218 1 299 . 1 1 49 49 LEU HD22 H 1 0.688 0.000 . . . . . . 28 LEU HD2 . 7218 1 300 . 1 1 49 49 LEU HD23 H 1 0.688 0.000 . . . . . . 28 LEU HD2 . 7218 1 301 . 1 1 49 49 LEU C C 13 172.181 0.1 . . . . . . 28 LEU C . 7218 1 302 . 1 1 49 49 LEU CA C 13 54.149 0.1 . . . . . . 28 LEU CA . 7218 1 303 . 1 1 49 49 LEU CB C 13 46.731 0.1 . . . . . . 28 LEU CB . 7218 1 304 . 1 1 49 49 LEU N N 15 129.151 0.05 . . . . . . 28 LEU N . 7218 1 305 . 1 1 50 50 VAL H H 1 9.090 0.05 . . . . . . 29 VAL H . 7218 1 306 . 1 1 50 50 VAL HA H 1 5.765 0.05 . . . . . . 29 VAL HA . 7218 1 307 . 1 1 50 50 VAL HB H 1 1.957 0.05 . . . . . . 29 VAL HB . 7218 1 308 . 1 1 50 50 VAL HG11 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 309 . 1 1 50 50 VAL HG12 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 310 . 1 1 50 50 VAL HG13 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 311 . 1 1 50 50 VAL HG21 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 312 . 1 1 50 50 VAL HG22 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 313 . 1 1 50 50 VAL HG23 H 1 0.993 0.000 . . . . . . 29 VAL QQG . 7218 1 314 . 1 1 50 50 VAL C C 13 172.634 0.1 . . . . . . 29 VAL C . 7218 1 315 . 1 1 50 50 VAL CA C 13 58.359 0.1 . . . . . . 29 VAL CA . 7218 1 316 . 1 1 50 50 VAL CB C 13 33.916 0.1 . . . . . . 29 VAL CB . 7218 1 317 . 1 1 50 50 VAL N N 15 124.532 0.05 . . . . . . 29 VAL N . 7218 1 318 . 1 1 51 51 TYR H H 1 8.907 0.05 . . . . . . 30 TYR H . 7218 1 319 . 1 1 51 51 TYR HA H 1 5.791 0.05 . . . . . . 30 TYR HA . 7218 1 320 . 1 1 51 51 TYR HB2 H 1 3.330 0.000 . . . . . . 30 TYR HB2 . 7218 1 321 . 1 1 51 51 TYR HD1 H 1 5.859 0.000 . . . . . . 30 TYR HD1 . 7218 1 322 . 1 1 51 51 TYR C C 13 171.660 0.1 . . . . . . 30 TYR C . 7218 1 323 . 1 1 51 51 TYR CA C 13 56.591 0.1 . . . . . . 30 TYR CA . 7218 1 324 . 1 1 51 51 TYR CB C 13 41.622 0.1 . . . . . . 30 TYR CB . 7218 1 325 . 1 1 51 51 TYR N N 15 121.593 0.05 . . . . . . 30 TYR N . 7218 1 326 . 1 1 52 52 GLN H H 1 8.894 0.05 . . . . . . 31 GLN H . 7218 1 327 . 1 1 52 52 GLN HA H 1 5.020 0.05 . . . . . . 31 GLN HA . 7218 1 328 . 1 1 52 52 GLN HB2 H 1 2.075 0.000 . . . . . . 31 GLN HB2 . 7218 1 329 . 1 1 52 52 GLN HG2 H 1 2.723 0.000 . . . . . . 31 GLN HG2 . 7218 1 330 . 1 1 52 52 GLN C C 13 173.891 0.1 . . . . . . 31 GLN C . 7218 1 331 . 1 1 52 52 GLN CA C 13 53.945 0.1 . . . . . . 31 GLN CA . 7218 1 332 . 1 1 52 52 GLN CB C 13 30.888 0.1 . . . . . . 31 GLN CB . 7218 1 333 . 1 1 52 52 GLN N N 15 113.838 0.05 . . . . . . 31 GLN N . 7218 1 334 . 1 1 53 53 THR H H 1 8.619 0.05 . . . . . . 32 THR H . 7218 1 335 . 1 1 53 53 THR HA H 1 5.543 0.05 . . . . . . 32 THR HA . 7218 1 336 . 1 1 53 53 THR HB H 1 4.214 0.05 . . . . . . 32 THR HB . 7218 1 337 . 1 1 53 53 THR HG21 H 1 1.407 0.000 . . . . . . 32 THR HG2 . 7218 1 338 . 1 1 53 53 THR HG22 H 1 1.407 0.000 . . . . . . 32 THR HG2 . 7218 1 339 . 1 1 53 53 THR HG23 H 1 1.407 0.000 . . . . . . 32 THR HG2 . 7218 1 340 . 1 1 53 53 THR C C 13 174.470 0.1 . . . . . . 32 THR C . 7218 1 341 . 1 1 53 53 THR CA C 13 62.506 0.1 . . . . . . 32 THR CA . 7218 1 342 . 1 1 53 53 THR CB C 13 68.675 0.1 . . . . . . 32 THR CB . 7218 1 343 . 1 1 53 53 THR N N 15 118.850 0.05 . . . . . . 32 THR N . 7218 1 344 . 1 1 54 54 GLU H H 1 9.475 0.05 . . . . . . 33 GLU H . 7218 1 345 . 1 1 54 54 GLU HA H 1 4.893 0.05 . . . . . . 33 GLU HA . 7218 1 346 . 1 1 54 54 GLU HB2 H 1 2.018 0.05 . . . . . . 33 GLU HB2 . 7218 1 347 . 1 1 54 54 GLU HB3 H 1 1.222 0.05 . . . . . . 33 GLU HB3 . 7218 1 348 . 1 1 54 54 GLU HG2 H 1 2.194 0.000 . . . . . . 33 GLU HG2 . 7218 1 349 . 1 1 54 54 GLU C C 13 174.217 0.1 . . . . . . 33 GLU C . 7218 1 350 . 1 1 54 54 GLU CA C 13 54.283 0.1 . . . . . . 33 GLU CA . 7218 1 351 . 1 1 54 54 GLU CB C 13 33.972 0.1 . . . . . . 33 GLU CB . 7218 1 352 . 1 1 54 54 GLU N N 15 126.191 0.05 . . . . . . 33 GLU N . 7218 1 353 . 1 1 55 55 GLN H H 1 8.719 0.05 . . . . . . 34 GLN H . 7218 1 354 . 1 1 55 55 GLN HA H 1 4.464 0.05 . . . . . . 34 GLN HA . 7218 1 355 . 1 1 55 55 GLN HB2 H 1 2.106 0.05 . . . . . . 34 GLN HB2 . 7218 1 356 . 1 1 55 55 GLN HB3 H 1 1.991 0.05 . . . . . . 34 GLN HB3 . 7218 1 357 . 1 1 55 55 GLN HG2 H 1 2.426 0.000 . . . . . . 34 GLN HG2 . 7218 1 358 . 1 1 55 55 GLN HE21 H 1 7.486 0.05 . . . . . . 34 GLN HE21 . 7218 1 359 . 1 1 55 55 GLN HE22 H 1 6.742 0.05 . . . . . . 34 GLN HE22 . 7218 1 360 . 1 1 55 55 GLN C C 13 176.120 0.1 . . . . . . 34 GLN C . 7218 1 361 . 1 1 55 55 GLN CA C 13 55.975 0.1 . . . . . . 34 GLN CA . 7218 1 362 . 1 1 55 55 GLN CB C 13 30.799 0.1 . . . . . . 34 GLN CB . 7218 1 363 . 1 1 55 55 GLN N N 15 119.705 0.05 . . . . . . 34 GLN N . 7218 1 364 . 1 1 55 55 GLN NE2 N 15 113.015 0.05 . . . . . . 34 GLN NE2 . 7218 1 365 . 1 1 56 56 GLY H H 1 8.491 0.05 . . . . . . 35 GLY H . 7218 1 366 . 1 1 56 56 GLY HA2 H 1 4.643 0.05 . . . . . . 35 GLY HA1 . 7218 1 367 . 1 1 56 56 GLY HA3 H 1 4.618 0.000 . . . . . . 35 GLY HA2 . 7218 1 368 . 1 1 56 56 GLY C C 13 174.251 0.1 . . . . . . 35 GLY C . 7218 1 369 . 1 1 56 56 GLY CA C 13 43.928 0.1 . . . . . . 35 GLY CA . 7218 1 370 . 1 1 56 56 GLY N N 15 115.670 0.05 . . . . . . 35 GLY N . 7218 1 371 . 1 1 57 57 GLU H H 1 8.816 0.05 . . . . . . 36 GLU H . 7218 1 372 . 1 1 57 57 GLU HA H 1 4.298 0.05 . . . . . . 36 GLU HA . 7218 1 373 . 1 1 57 57 GLU HB2 H 1 2.013 0.000 . . . . . . 36 GLU HB2 . 7218 1 374 . 1 1 57 57 GLU HB3 H 1 1.519 0.05 . . . . . . 36 GLU HB3 . 7218 1 375 . 1 1 57 57 GLU HG2 H 1 2.335 0.000 . . . . . . 36 GLU HG2 . 7218 1 376 . 1 1 57 57 GLU C C 13 177.191 0.1 . . . . . . 36 GLU C . 7218 1 377 . 1 1 57 57 GLU CA C 13 57.028 0.1 . . . . . . 36 GLU CA . 7218 1 378 . 1 1 57 57 GLU CB C 13 30.089 0.1 . . . . . . 36 GLU CB . 7218 1 379 . 1 1 57 57 GLU N N 15 121.879 0.05 . . . . . . 36 GLU N . 7218 1 380 . 1 1 58 58 ALA H H 1 8.907 0.05 . . . . . . 37 ALA H . 7218 1 381 . 1 1 58 58 ALA HA H 1 4.216 0.05 . . . . . . 37 ALA HA . 7218 1 382 . 1 1 58 58 ALA HB1 H 1 1.398 0.000 . . . . . . 37 ALA HB . 7218 1 383 . 1 1 58 58 ALA HB2 H 1 1.398 0.000 . . . . . . 37 ALA HB . 7218 1 384 . 1 1 58 58 ALA HB3 H 1 1.398 0.000 . . . . . . 37 ALA HB . 7218 1 385 . 1 1 58 58 ALA C C 13 177.476 0.1 . . . . . . 37 ALA C . 7218 1 386 . 1 1 58 58 ALA CA C 13 52.996 0.1 . . . . . . 37 ALA CA . 7218 1 387 . 1 1 58 58 ALA CB C 13 37.827 0.1 . . . . . . 37 ALA CB . 7218 1 388 . 1 1 58 58 ALA N N 15 123.166 0.05 . . . . . . 37 ALA N . 7218 1 389 . 1 1 59 59 GLY H H 1 8.462 0.05 . . . . . . 38 GLY H . 7218 1 390 . 1 1 59 59 GLY HA2 H 1 4.142 0.05 . . . . . . 38 GLY HA1 . 7218 1 391 . 1 1 59 59 GLY HA3 H 1 3.684 0.05 . . . . . . 38 GLY HA2 . 7218 1 392 . 1 1 59 59 GLY C C 13 174.454 0.1 . . . . . . 38 GLY C . 7218 1 393 . 1 1 59 59 GLY CA C 13 45.295 0.1 . . . . . . 38 GLY CA . 7218 1 394 . 1 1 59 59 GLY N N 15 106.626 0.05 . . . . . . 38 GLY N . 7218 1 395 . 1 1 60 60 ASN H H 1 8.084 0.05 . . . . . . 39 ASN H . 7218 1 396 . 1 1 60 60 ASN HA H 1 4.915 0.05 . . . . . . 39 ASN HA . 7218 1 397 . 1 1 60 60 ASN HB2 H 1 2.959 0.05 . . . . . . 39 ASN HB2 . 7218 1 398 . 1 1 60 60 ASN HB3 H 1 2.826 0.05 . . . . . . 39 ASN HB3 . 7218 1 399 . 1 1 60 60 ASN HD21 H 1 7.595 0.05 . . . . . . 39 ASN HD21 . 7218 1 400 . 1 1 60 60 ASN HD22 H 1 7.119 0.05 . . . . . . 39 ASN HD22 . 7218 1 401 . 1 1 60 60 ASN C C 13 174.836 0.1 . . . . . . 39 ASN C . 7218 1 402 . 1 1 60 60 ASN CA C 13 53.688 0.1 . . . . . . 39 ASN CA . 7218 1 403 . 1 1 60 60 ASN CB C 13 39.910 0.1 . . . . . . 39 ASN CB . 7218 1 404 . 1 1 60 60 ASN N N 15 118.998 0.05 . . . . . . 39 ASN N . 7218 1 405 . 1 1 60 60 ASN ND2 N 15 115.257 0.05 . . . . . . 39 ASN ND2 . 7218 1 406 . 1 1 61 61 ILE H H 1 8.390 0.05 . . . . . . 40 ILE H . 7218 1 407 . 1 1 61 61 ILE HA H 1 4.860 0.05 . . . . . . 40 ILE HA . 7218 1 408 . 1 1 61 61 ILE HB H 1 1.796 0.05 . . . . . . 40 ILE HB . 7218 1 409 . 1 1 61 61 ILE HG12 H 1 1.359 0.05 . . . . . . 40 ILE HG12 . 7218 1 410 . 1 1 61 61 ILE HG13 H 1 1.163 0.05 . . . . . . 40 ILE HG13 . 7218 1 411 . 1 1 61 61 ILE HG21 H 1 0.839 0.000 . . . . . . 40 ILE QG2 . 7218 1 412 . 1 1 61 61 ILE HG22 H 1 0.839 0.000 . . . . . . 40 ILE QG2 . 7218 1 413 . 1 1 61 61 ILE HG23 H 1 0.839 0.000 . . . . . . 40 ILE QG2 . 7218 1 414 . 1 1 61 61 ILE HD11 H 1 0.755 0.000 . . . . . . 40 ILE HD1 . 7218 1 415 . 1 1 61 61 ILE HD12 H 1 0.755 0.000 . . . . . . 40 ILE HD1 . 7218 1 416 . 1 1 61 61 ILE HD13 H 1 0.755 0.000 . . . . . . 40 ILE HD1 . 7218 1 417 . 1 1 61 61 ILE C C 13 175.353 0.1 . . . . . . 40 ILE C . 7218 1 418 . 1 1 61 61 ILE CA C 13 60.600 0.1 . . . . . . 40 ILE CA . 7218 1 419 . 1 1 61 61 ILE CB C 13 40.951 0.1 . . . . . . 40 ILE CB . 7218 1 420 . 1 1 61 61 ILE N N 15 118.865 0.05 . . . . . . 40 ILE N . 7218 1 421 . 1 1 62 62 HIS H H 1 8.724 0.05 . . . . . . 41 HIS H . 7218 1 422 . 1 1 62 62 HIS HA H 1 5.467 0.05 . . . . . . 41 HIS HA . 7218 1 423 . 1 1 62 62 HIS HB2 H 1 3.386 0.05 . . . . . . 41 HIS HB2 . 7218 1 424 . 1 1 62 62 HIS HB3 H 1 2.952 0.05 . . . . . . 41 HIS HB3 . 7218 1 425 . 1 1 62 62 HIS C C 13 175.159 0.1 . . . . . . 41 HIS C . 7218 1 426 . 1 1 62 62 HIS CA C 13 54.843 0.1 . . . . . . 41 HIS CA . 7218 1 427 . 1 1 62 62 HIS CB C 13 32.516 0.1 . . . . . . 41 HIS CB . 7218 1 428 . 1 1 62 62 HIS N N 15 116.068 0.05 . . . . . . 41 HIS N . 7218 1 429 . 1 1 63 63 PHE H H 1 8.911 0.05 . . . . . . 42 PHE H . 7218 1 430 . 1 1 63 63 PHE HA H 1 6.407 0.05 . . . . . . 42 PHE HA . 7218 1 431 . 1 1 63 63 PHE HB2 H 1 3.424 0.05 . . . . . . 42 PHE HB2 . 7218 1 432 . 1 1 63 63 PHE HB3 H 1 3.191 0.05 . . . . . . 42 PHE HB3 . 7218 1 433 . 1 1 63 63 PHE HD1 H 1 7.293 0.000 . . . . . . 42 PHE HD1 . 7218 1 434 . 1 1 63 63 PHE C C 13 176.588 0.1 . . . . . . 42 PHE C . 7218 1 435 . 1 1 63 63 PHE CA C 13 53.020 0.1 . . . . . . 42 PHE CA . 7218 1 436 . 1 1 63 63 PHE CB C 13 40.736 0.1 . . . . . . 42 PHE CB . 7218 1 437 . 1 1 63 63 PHE N N 15 117.190 0.05 . . . . . . 42 PHE N . 7218 1 438 . 1 1 64 64 GLN H H 1 9.260 0.05 . . . . . . 43 GLN H . 7218 1 439 . 1 1 64 64 GLN HA H 1 4.932 0.05 . . . . . . 43 GLN HA . 7218 1 440 . 1 1 64 64 GLN HB2 H 1 2.001 0.000 . . . . . . 43 GLN HB2 . 7218 1 441 . 1 1 64 64 GLN HG2 H 1 2.311 0.000 . . . . . . 43 GLN HG2 . 7218 1 442 . 1 1 64 64 GLN HE21 H 1 7.639 0.05 . . . . . . 43 GLN HE21 . 7218 1 443 . 1 1 64 64 GLN HE22 H 1 6.845 0.05 . . . . . . 43 GLN HE22 . 7218 1 444 . 1 1 64 64 GLN C C 13 177.772 0.1 . . . . . . 43 GLN C . 7218 1 445 . 1 1 64 64 GLN CA C 13 54.402 0.1 . . . . . . 43 GLN CA . 7218 1 446 . 1 1 64 64 GLN CB C 13 31.830 0.1 . . . . . . 43 GLN CB . 7218 1 447 . 1 1 64 64 GLN N N 15 123.426 0.05 . . . . . . 43 GLN N . 7218 1 448 . 1 1 64 64 GLN NE2 N 15 112.714 0.05 . . . . . . 43 GLN NE2 . 7218 1 449 . 1 1 65 65 GLY H H 1 8.337 0.05 . . . . . . 44 GLY H . 7218 1 450 . 1 1 65 65 GLY HA2 H 1 3.929 0.000 . . . . . . 44 GLY HA2 . 7218 1 451 . 1 1 65 65 GLY CA C 13 45.650 0.1 . . . . . . 44 GLY CA . 7218 1 452 . 1 1 65 65 GLY N N 15 114.696 0.05 . . . . . . 44 GLY N . 7218 1 453 . 1 1 66 66 TYR H H 1 8.786 0.05 . . . . . . 45 TYR H . 7218 1 454 . 1 1 66 66 TYR HB2 H 1 2.952 0.000 . . . . . . 45 TYR HB2 . 7218 1 455 . 1 1 66 66 TYR HD1 H 1 6.811 0.000 . . . . . . 45 TYR HD1 . 7218 1 456 . 1 1 66 66 TYR C C 13 176.662 0.1 . . . . . . 45 TYR C . 7218 1 457 . 1 1 66 66 TYR CA C 13 60.200 0.1 . . . . . . 45 TYR CA . 7218 1 458 . 1 1 66 66 TYR CB C 13 37.564 0.1 . . . . . . 45 TYR CB . 7218 1 459 . 1 1 66 66 TYR N N 15 128.758 0.05 . . . . . . 45 TYR N . 7218 1 460 . 1 1 67 67 ILE H H 1 8.701 0.05 . . . . . . 46 ILE H . 7218 1 461 . 1 1 67 67 ILE HA H 1 4.856 0.05 . . . . . . 46 ILE HA . 7218 1 462 . 1 1 67 67 ILE HB H 1 2.138 0.05 . . . . . . 46 ILE HB . 7218 1 463 . 1 1 67 67 ILE HG21 H 1 1.195 0.000 . . . . . . 46 ILE QG2 . 7218 1 464 . 1 1 67 67 ILE HG22 H 1 1.195 0.000 . . . . . . 46 ILE QG2 . 7218 1 465 . 1 1 67 67 ILE HG23 H 1 1.195 0.000 . . . . . . 46 ILE QG2 . 7218 1 466 . 1 1 67 67 ILE HD11 H 1 0.561 0.000 . . . . . . 46 ILE HD1 . 7218 1 467 . 1 1 67 67 ILE HD12 H 1 0.561 0.000 . . . . . . 46 ILE HD1 . 7218 1 468 . 1 1 67 67 ILE HD13 H 1 0.561 0.000 . . . . . . 46 ILE HD1 . 7218 1 469 . 1 1 67 67 ILE CA C 13 62.815 0.1 . . . . . . 46 ILE CA . 7218 1 470 . 1 1 67 67 ILE N N 15 123.181 0.05 . . . . . . 46 ILE N . 7218 1 471 . 1 1 68 68 GLU C C 13 176.735 0.1 . . . . . . 47 GLU C . 7218 1 472 . 1 1 69 69 MET H H 1 9.409 0.05 . . . . . . 48 MET H . 7218 1 473 . 1 1 69 69 MET HA H 1 5.226 0.05 . . . . . . 48 MET HA . 7218 1 474 . 1 1 69 69 MET HB2 H 1 1.931 0.000 . . . . . . 48 MET HB2 . 7218 1 475 . 1 1 69 69 MET HG2 H 1 2.313 0.000 . . . . . . 48 MET HG2 . 7218 1 476 . 1 1 69 69 MET C C 13 176.309 0.1 . . . . . . 48 MET C . 7218 1 477 . 1 1 69 69 MET CA C 13 60.428 0.1 . . . . . . 48 MET CA . 7218 1 478 . 1 1 69 69 MET N N 15 124.873 0.05 . . . . . . 48 MET N . 7218 1 479 . 1 1 70 70 LYS H H 1 8.004 0.05 . . . . . . 49 LYS H . 7218 1 480 . 1 1 70 70 LYS HA H 1 4.027 0.05 . . . . . . 49 LYS HA . 7218 1 481 . 1 1 70 70 LYS HB2 H 1 1.933 0.05 . . . . . . 49 LYS HB2 . 7218 1 482 . 1 1 70 70 LYS HB3 H 1 1.710 0.05 . . . . . . 49 LYS HB3 . 7218 1 483 . 1 1 70 70 LYS C C 13 176.363 0.1 . . . . . . 49 LYS C . 7218 1 484 . 1 1 70 70 LYS CA C 13 56.829 0.1 . . . . . . 49 LYS CA . 7218 1 485 . 1 1 70 70 LYS CB C 13 32.890 0.1 . . . . . . 49 LYS CB . 7218 1 486 . 1 1 70 70 LYS N N 15 117.158 0.05 . . . . . . 49 LYS N . 7218 1 487 . 1 1 71 71 LYS H H 1 8.132 0.05 . . . . . . 50 LYS H . 7218 1 488 . 1 1 71 71 LYS HA H 1 4.566 0.05 . . . . . . 50 LYS HA . 7218 1 489 . 1 1 71 71 LYS HB2 H 1 1.764 0.05 . . . . . . 50 LYS HB2 . 7218 1 490 . 1 1 71 71 LYS HB3 H 1 1.651 0.05 . . . . . . 50 LYS HB3 . 7218 1 491 . 1 1 71 71 LYS HG2 H 1 1.358 0.000 . . . . . . 50 LYS HG2 . 7218 1 492 . 1 1 71 71 LYS C C 13 175.534 0.1 . . . . . . 50 LYS C . 7218 1 493 . 1 1 71 71 LYS CA C 13 53.712 0.1 . . . . . . 50 LYS CA . 7218 1 494 . 1 1 71 71 LYS CB C 13 35.682 0.1 . . . . . . 50 LYS CB . 7218 1 495 . 1 1 71 71 LYS N N 15 116.065 0.05 . . . . . . 50 LYS N . 7218 1 496 . 1 1 72 72 ARG H H 1 8.770 0.05 . . . . . . 51 ARG H . 7218 1 497 . 1 1 72 72 ARG HA H 1 4.784 0.05 . . . . . . 51 ARG HA . 7218 1 498 . 1 1 72 72 ARG HB2 H 1 1.585 0.05 . . . . . . 51 ARG HB2 . 7218 1 499 . 1 1 72 72 ARG HB3 H 1 1.399 0.05 . . . . . . 51 ARG HB3 . 7218 1 500 . 1 1 72 72 ARG HG2 H 1 1.812 0.000 . . . . . . 51 ARG HG2 . 7218 1 501 . 1 1 72 72 ARG HD2 H 1 3.206 0.000 . . . . . . 51 ARG HD2 . 7218 1 502 . 1 1 72 72 ARG CA C 13 58.508 0.1 . . . . . . 51 ARG CA . 7218 1 503 . 1 1 72 72 ARG CB C 13 29.438 0.1 . . . . . . 51 ARG CB . 7218 1 504 . 1 1 72 72 ARG N N 15 121.608 0.05 . . . . . . 51 ARG N . 7218 1 505 . 1 1 73 73 THR H H 1 6.869 0.05 . . . . . . 52 THR H . 7218 1 506 . 1 1 73 73 THR HA H 1 4.479 0.05 . . . . . . 52 THR HA . 7218 1 507 . 1 1 73 73 THR HB H 1 4.154 0.05 . . . . . . 52 THR HB . 7218 1 508 . 1 1 73 73 THR HG21 H 1 1.352 0.000 . . . . . . 52 THR HG2 . 7218 1 509 . 1 1 73 73 THR HG22 H 1 1.352 0.000 . . . . . . 52 THR HG2 . 7218 1 510 . 1 1 73 73 THR HG23 H 1 1.352 0.000 . . . . . . 52 THR HG2 . 7218 1 511 . 1 1 73 73 THR C C 13 173.055 0.1 . . . . . . 52 THR C . 7218 1 512 . 1 1 73 73 THR CA C 13 62.680 0.1 . . . . . . 52 THR CA . 7218 1 513 . 1 1 73 73 THR CB C 13 73.383 0.1 . . . . . . 52 THR CB . 7218 1 514 . 1 1 73 73 THR N N 15 117.278 0.05 . . . . . . 52 THR N . 7218 1 515 . 1 1 74 74 SER H H 1 9.050 0.05 . . . . . . 53 SER H . 7218 1 516 . 1 1 74 74 SER HA H 1 5.096 0.05 . . . . . . 53 SER HA . 7218 1 517 . 1 1 74 74 SER HB2 H 1 4.463 0.05 . . . . . . 53 SER HB2 . 7218 1 518 . 1 1 74 74 SER HB3 H 1 4.032 0.05 . . . . . . 53 SER HB3 . 7218 1 519 . 1 1 74 74 SER C C 13 174.316 0.1 . . . . . . 53 SER C . 7218 1 520 . 1 1 74 74 SER CA C 13 57.276 0.1 . . . . . . 53 SER CA . 7218 1 521 . 1 1 74 74 SER CB C 13 63.270 0.1 . . . . . . 53 SER CB . 7218 1 522 . 1 1 74 74 SER N N 15 124.168 0.05 . . . . . . 53 SER N . 7218 1 523 . 1 1 75 75 LEU H H 1 9.196 0.05 . . . . . . 54 LEU H . 7218 1 524 . 1 1 75 75 LEU HA H 1 3.850 0.05 . . . . . . 54 LEU HA . 7218 1 525 . 1 1 75 75 LEU HB2 H 1 1.892 0.000 . . . . . . 54 LEU HB2 . 7218 1 526 . 1 1 75 75 LEU HG H 1 1.790 0.05 . . . . . . 54 LEU HG . 7218 1 527 . 1 1 75 75 LEU HD11 H 1 0.915 0.000 . . . . . . 54 LEU HD1 . 7218 1 528 . 1 1 75 75 LEU HD12 H 1 0.915 0.000 . . . . . . 54 LEU HD1 . 7218 1 529 . 1 1 75 75 LEU HD13 H 1 0.915 0.000 . . . . . . 54 LEU HD1 . 7218 1 530 . 1 1 75 75 LEU HD21 H 1 1.093 0.000 . . . . . . 54 LEU HD2 . 7218 1 531 . 1 1 75 75 LEU HD22 H 1 1.093 0.000 . . . . . . 54 LEU HD2 . 7218 1 532 . 1 1 75 75 LEU HD23 H 1 1.093 0.000 . . . . . . 54 LEU HD2 . 7218 1 533 . 1 1 75 75 LEU C C 13 177.997 0.1 . . . . . . 54 LEU C . 7218 1 534 . 1 1 75 75 LEU CA C 13 57.793 0.1 . . . . . . 54 LEU CA . 7218 1 535 . 1 1 75 75 LEU CB C 13 41.692 0.1 . . . . . . 54 LEU CB . 7218 1 536 . 1 1 75 75 LEU N N 15 122.513 0.05 . . . . . . 54 LEU N . 7218 1 537 . 1 1 76 76 ALA H H 1 8.222 0.05 . . . . . . 55 ALA H . 7218 1 538 . 1 1 76 76 ALA HA H 1 4.493 0.05 . . . . . . 55 ALA HA . 7218 1 539 . 1 1 76 76 ALA HB1 H 1 1.352 0.000 . . . . . . 55 ALA HB . 7218 1 540 . 1 1 76 76 ALA HB2 H 1 1.352 0.000 . . . . . . 55 ALA HB . 7218 1 541 . 1 1 76 76 ALA HB3 H 1 1.352 0.000 . . . . . . 55 ALA HB . 7218 1 542 . 1 1 76 76 ALA C C 13 180.925 0.1 . . . . . . 55 ALA C . 7218 1 543 . 1 1 76 76 ALA CA C 13 54.976 0.1 . . . . . . 55 ALA CA . 7218 1 544 . 1 1 76 76 ALA CB C 13 18.345 0.1 . . . . . . 55 ALA CB . 7218 1 545 . 1 1 76 76 ALA N N 15 119.290 0.05 . . . . . . 55 ALA N . 7218 1 546 . 1 1 77 77 GLY H H 1 7.877 0.05 . . . . . . 56 GLY H . 7218 1 547 . 1 1 77 77 GLY HA2 H 1 3.544 0.05 . . . . . . 56 GLY HA1 . 7218 1 548 . 1 1 77 77 GLY HA3 H 1 3.435 0.05 . . . . . . 56 GLY HA2 . 7218 1 549 . 1 1 77 77 GLY C C 13 176.452 0.1 . . . . . . 56 GLY C . 7218 1 550 . 1 1 77 77 GLY CA C 13 46.807 0.1 . . . . . . 56 GLY CA . 7218 1 551 . 1 1 77 77 GLY N N 15 106.650 0.05 . . . . . . 56 GLY N . 7218 1 552 . 1 1 78 78 MET H H 1 7.441 0.05 . . . . . . 57 MET H . 7218 1 553 . 1 1 78 78 MET HA H 1 3.871 0.05 . . . . . . 57 MET HA . 7218 1 554 . 1 1 78 78 MET HB2 H 1 0.430 0.05 . . . . . . 57 MET HB2 . 7218 1 555 . 1 1 78 78 MET HB3 H 1 -0.409 0.05 . . . . . . 57 MET HB3 . 7218 1 556 . 1 1 78 78 MET HG2 H 1 0.373 0.05 . . . . . . 57 MET HG2 . 7218 1 557 . 1 1 78 78 MET HG3 H 1 1.358 0.05 . . . . . . 57 MET HG3 . 7218 1 558 . 1 1 78 78 MET C C 13 178.797 0.1 . . . . . . 57 MET C . 7218 1 559 . 1 1 78 78 MET CA C 13 55.310 0.1 . . . . . . 57 MET CA . 7218 1 560 . 1 1 78 78 MET CB C 13 25.227 0.1 . . . . . . 57 MET CB . 7218 1 561 . 1 1 78 78 MET N N 15 122.873 0.05 . . . . . . 57 MET N . 7218 1 562 . 1 1 79 79 LYS H H 1 7.966 0.05 . . . . . . 58 LYS H . 7218 1 563 . 1 1 79 79 LYS HA H 1 3.916 0.05 . . . . . . 58 LYS HA . 7218 1 564 . 1 1 79 79 LYS HB2 H 1 1.828 0.05 . . . . . . 58 LYS HB2 . 7218 1 565 . 1 1 79 79 LYS HB3 H 1 1.660 0.05 . . . . . . 58 LYS HB3 . 7218 1 566 . 1 1 79 79 LYS HG2 H 1 1.563 0.000 . . . . . . 58 LYS HG2 . 7218 1 567 . 1 1 79 79 LYS C C 13 178.837 0.1 . . . . . . 58 LYS C . 7218 1 568 . 1 1 79 79 LYS CA C 13 59.118 0.1 . . . . . . 58 LYS CA . 7218 1 569 . 1 1 79 79 LYS CB C 13 32.683 0.1 . . . . . . 58 LYS CB . 7218 1 570 . 1 1 79 79 LYS N N 15 118.737 0.05 . . . . . . 58 LYS N . 7218 1 571 . 1 1 80 80 LYS H H 1 6.869 0.05 . . . . . . 59 LYS H . 7218 1 572 . 1 1 80 80 LYS HA H 1 3.918 0.05 . . . . . . 59 LYS HA . 7218 1 573 . 1 1 80 80 LYS HB2 H 1 1.722 0.000 . . . . . . 59 LYS HB2 . 7218 1 574 . 1 1 80 80 LYS HG2 H 1 1.354 0.000 . . . . . . 59 LYS HG2 . 7218 1 575 . 1 1 80 80 LYS HD2 H 1 1.577 0.000 . . . . . . 59 LYS HD2 . 7218 1 576 . 1 1 80 80 LYS C C 13 177.772 0.1 . . . . . . 59 LYS C . 7218 1 577 . 1 1 80 80 LYS CA C 13 58.206 0.1 . . . . . . 59 LYS CA . 7218 1 578 . 1 1 80 80 LYS CB C 13 32.473 0.1 . . . . . . 59 LYS CB . 7218 1 579 . 1 1 80 80 LYS N N 15 114.737 0.05 . . . . . . 59 LYS N . 7218 1 580 . 1 1 81 81 LEU H H 1 7.141 0.05 . . . . . . 60 LEU H . 7218 1 581 . 1 1 81 81 LEU HA H 1 3.907 0.05 . . . . . . 60 LEU HA . 7218 1 582 . 1 1 81 81 LEU HB2 H 1 1.704 0.05 . . . . . . 60 LEU HB2 . 7218 1 583 . 1 1 81 81 LEU HB3 H 1 1.128 0.05 . . . . . . 60 LEU HB3 . 7218 1 584 . 1 1 81 81 LEU HG H 1 1.525 0.05 . . . . . . 60 LEU HG . 7218 1 585 . 1 1 81 81 LEU HD11 H 1 0.520 0.000 . . . . . . 60 LEU HD1 . 7218 1 586 . 1 1 81 81 LEU HD12 H 1 0.520 0.000 . . . . . . 60 LEU HD1 . 7218 1 587 . 1 1 81 81 LEU HD13 H 1 0.520 0.000 . . . . . . 60 LEU HD1 . 7218 1 588 . 1 1 81 81 LEU C C 13 178.208 0.1 . . . . . . 60 LEU C . 7218 1 589 . 1 1 81 81 LEU CA C 13 56.635 0.1 . . . . . . 60 LEU CA . 7218 1 590 . 1 1 81 81 LEU CB C 13 42.112 0.1 . . . . . . 60 LEU CB . 7218 1 591 . 1 1 81 81 LEU N N 15 117.850 0.05 . . . . . . 60 LEU N . 7218 1 592 . 1 1 82 82 ILE H H 1 7.063 0.05 . . . . . . 61 ILE H . 7218 1 593 . 1 1 82 82 ILE HA H 1 4.163 0.05 . . . . . . 61 ILE HA . 7218 1 594 . 1 1 82 82 ILE HG12 H 1 1.116 0.05 . . . . . . 61 ILE HG12 . 7218 1 595 . 1 1 82 82 ILE HG13 H 1 1.534 0.05 . . . . . . 61 ILE HG13 . 7218 1 596 . 1 1 82 82 ILE HG21 H 1 0.553 0.000 . . . . . . 61 ILE QG2 . 7218 1 597 . 1 1 82 82 ILE HG22 H 1 0.553 0.000 . . . . . . 61 ILE QG2 . 7218 1 598 . 1 1 82 82 ILE HG23 H 1 0.553 0.000 . . . . . . 61 ILE QG2 . 7218 1 599 . 1 1 82 82 ILE CA C 13 58.907 0.1 . . . . . . 61 ILE CA . 7218 1 600 . 1 1 82 82 ILE CB C 13 37.740 0.1 . . . . . . 61 ILE CB . 7218 1 601 . 1 1 82 82 ILE N N 15 114.307 0.05 . . . . . . 61 ILE N . 7218 1 602 . 1 1 83 83 PRO HA H 1 4.545 0.05 . . . . . . 62 PRO HA . 7218 1 603 . 1 1 83 83 PRO HB2 H 1 1.822 0.000 . . . . . . 62 PRO HB2 . 7218 1 604 . 1 1 83 83 PRO C C 13 178.166 0.1 . . . . . . 62 PRO C . 7218 1 605 . 1 1 83 83 PRO CA C 13 64.387 0.1 . . . . . . 62 PRO CA . 7218 1 606 . 1 1 83 83 PRO CB C 13 31.739 0.1 . . . . . . 62 PRO CB . 7218 1 607 . 1 1 84 84 GLY H H 1 8.767 0.05 . . . . . . 63 GLY H . 7218 1 608 . 1 1 84 84 GLY HA2 H 1 4.185 0.05 . . . . . . 63 GLY HA1 . 7218 1 609 . 1 1 84 84 GLY HA3 H 1 3.970 0.05 . . . . . . 63 GLY HA2 . 7218 1 610 . 1 1 84 84 GLY C C 13 174.886 0.1 . . . . . . 63 GLY C . 7218 1 611 . 1 1 84 84 GLY CA C 13 44.976 0.1 . . . . . . 63 GLY CA . 7218 1 612 . 1 1 84 84 GLY N N 15 110.838 0.05 . . . . . . 63 GLY N . 7218 1 613 . 1 1 85 85 ALA H H 1 7.672 0.05 . . . . . . 64 ALA H . 7218 1 614 . 1 1 85 85 ALA HA H 1 4.456 0.05 . . . . . . 64 ALA HA . 7218 1 615 . 1 1 85 85 ALA HB1 H 1 0.866 0.000 . . . . . . 64 ALA HB . 7218 1 616 . 1 1 85 85 ALA HB2 H 1 0.866 0.000 . . . . . . 64 ALA HB . 7218 1 617 . 1 1 85 85 ALA HB3 H 1 0.866 0.000 . . . . . . 64 ALA HB . 7218 1 618 . 1 1 85 85 ALA C C 13 176.291 0.1 . . . . . . 64 ALA C . 7218 1 619 . 1 1 85 85 ALA CA C 13 52.126 0.1 . . . . . . 64 ALA CA . 7218 1 620 . 1 1 85 85 ALA CB C 13 19.182 0.1 . . . . . . 64 ALA CB . 7218 1 621 . 1 1 85 85 ALA N N 15 122.901 0.05 . . . . . . 64 ALA N . 7218 1 622 . 1 1 86 86 HIS H H 1 8.890 0.05 . . . . . . 65 HIS H . 7218 1 623 . 1 1 86 86 HIS HA H 1 4.934 0.05 . . . . . . 65 HIS HA . 7218 1 624 . 1 1 86 86 HIS HB2 H 1 3.167 0.000 . . . . . . 65 HIS HB2 . 7218 1 625 . 1 1 86 86 HIS HD2 H 1 7.073 0.05 . . . . . . 65 HIS HD2 . 7218 1 626 . 1 1 86 86 HIS C C 13 174.423 0.1 . . . . . . 65 HIS C . 7218 1 627 . 1 1 86 86 HIS CA C 13 55.104 0.1 . . . . . . 65 HIS CA . 7218 1 628 . 1 1 86 86 HIS CB C 13 30.021 0.1 . . . . . . 65 HIS CB . 7218 1 629 . 1 1 86 86 HIS N N 15 119.903 0.05 . . . . . . 65 HIS N . 7218 1 630 . 1 1 87 87 PHE H H 1 8.814 0.05 . . . . . . 66 PHE H . 7218 1 631 . 1 1 87 87 PHE HA H 1 5.497 0.05 . . . . . . 66 PHE HA . 7218 1 632 . 1 1 87 87 PHE HB2 H 1 3.218 0.05 . . . . . . 66 PHE HB2 . 7218 1 633 . 1 1 87 87 PHE HB3 H 1 2.587 0.05 . . . . . . 66 PHE HB3 . 7218 1 634 . 1 1 87 87 PHE C C 13 175.647 0.1 . . . . . . 66 PHE C . 7218 1 635 . 1 1 87 87 PHE CA C 13 58.142 0.1 . . . . . . 66 PHE CA . 7218 1 636 . 1 1 87 87 PHE CB C 13 42.848 0.1 . . . . . . 66 PHE CB . 7218 1 637 . 1 1 87 87 PHE N N 15 125.565 0.05 . . . . . . 66 PHE N . 7218 1 638 . 1 1 88 88 GLU H H 1 9.325 0.05 . . . . . . 67 GLU H . 7218 1 639 . 1 1 88 88 GLU HA H 1 4.935 0.05 . . . . . . 67 GLU HA . 7218 1 640 . 1 1 88 88 GLU HB2 H 1 2.140 0.05 . . . . . . 67 GLU HB2 . 7218 1 641 . 1 1 88 88 GLU HB3 H 1 1.961 0.05 . . . . . . 67 GLU HB3 . 7218 1 642 . 1 1 88 88 GLU HG2 H 1 2.320 0.000 . . . . . . 67 GLU HG2 . 7218 1 643 . 1 1 88 88 GLU C C 13 174.882 0.1 . . . . . . 67 GLU C . 7218 1 644 . 1 1 88 88 GLU CA C 13 55.214 0.1 . . . . . . 67 GLU CA . 7218 1 645 . 1 1 88 88 GLU CB C 13 34.054 0.1 . . . . . . 67 GLU CB . 7218 1 646 . 1 1 88 88 GLU N N 15 118.481 0.05 . . . . . . 67 GLU N . 7218 1 647 . 1 1 89 89 LYS H H 1 8.910 0.05 . . . . . . 68 LYS H . 7218 1 648 . 1 1 89 89 LYS HA H 1 3.681 0.05 . . . . . . 68 LYS HA . 7218 1 649 . 1 1 89 89 LYS HB2 H 1 1.437 0.05 . . . . . . 68 LYS HB2 . 7218 1 650 . 1 1 89 89 LYS HB3 H 1 1.183 0.05 . . . . . . 68 LYS HB3 . 7218 1 651 . 1 1 89 89 LYS HG2 H 1 0.618 0.000 . . . . . . 68 LYS HG2 . 7218 1 652 . 1 1 89 89 LYS HD2 H 1 1.493 0.000 . . . . . . 68 LYS HD2 . 7218 1 653 . 1 1 89 89 LYS CA C 13 57.065 0.1 . . . . . . 68 LYS CA . 7218 1 654 . 1 1 89 89 LYS CB C 13 32.292 0.1 . . . . . . 68 LYS CB . 7218 1 655 . 1 1 89 89 LYS N N 15 125.693 0.05 . . . . . . 68 LYS N . 7218 1 656 . 1 1 90 90 ARG HA H 1 4.206 0.05 . . . . . . 69 ARG HA . 7218 1 657 . 1 1 90 90 ARG C C 13 176.108 0.1 . . . . . . 69 ARG C . 7218 1 658 . 1 1 91 91 ARG H H 1 8.588 0.05 . . . . . . 70 ARG H . 7218 1 659 . 1 1 91 91 ARG HA H 1 4.434 0.05 . . . . . . 70 ARG HA . 7218 1 660 . 1 1 91 91 ARG HB2 H 1 1.759 0.05 . . . . . . 70 ARG HB2 . 7218 1 661 . 1 1 91 91 ARG HB3 H 1 1.674 0.05 . . . . . . 70 ARG HB3 . 7218 1 662 . 1 1 91 91 ARG HG2 H 1 1.597 0.000 . . . . . . 70 ARG HG2 . 7218 1 663 . 1 1 91 91 ARG C C 13 176.912 0.1 . . . . . . 70 ARG C . 7218 1 664 . 1 1 91 91 ARG CA C 13 56.666 0.1 . . . . . . 70 ARG CA . 7218 1 665 . 1 1 91 91 ARG CB C 13 31.699 0.1 . . . . . . 70 ARG CB . 7218 1 666 . 1 1 91 91 ARG N N 15 128.042 0.05 . . . . . . 70 ARG N . 7218 1 667 . 1 1 92 92 GLY H H 1 8.000 0.05 . . . . . . 71 GLY H . 7218 1 668 . 1 1 92 92 GLY HA2 H 1 4.221 0.000 . . . . . . 71 GLY HA2 . 7218 1 669 . 1 1 92 92 GLY C C 13 174.445 0.1 . . . . . . 71 GLY C . 7218 1 670 . 1 1 92 92 GLY CA C 13 44.465 0.1 . . . . . . 71 GLY CA . 7218 1 671 . 1 1 92 92 GLY N N 15 110.438 0.05 . . . . . . 71 GLY N . 7218 1 672 . 1 1 93 93 THR H H 1 8.627 0.05 . . . . . . 72 THR H . 7218 1 673 . 1 1 93 93 THR HA H 1 4.364 0.05 . . . . . . 72 THR HA . 7218 1 674 . 1 1 93 93 THR HB H 1 4.367 0.05 . . . . . . 72 THR HB . 7218 1 675 . 1 1 93 93 THR HG21 H 1 1.271 0.000 . . . . . . 72 THR HG2 . 7218 1 676 . 1 1 93 93 THR HG22 H 1 1.271 0.000 . . . . . . 72 THR HG2 . 7218 1 677 . 1 1 93 93 THR HG23 H 1 1.271 0.000 . . . . . . 72 THR HG2 . 7218 1 678 . 1 1 93 93 THR C C 13 175.883 0.1 . . . . . . 72 THR C . 7218 1 679 . 1 1 93 93 THR CA C 13 61.330 0.1 . . . . . . 72 THR CA . 7218 1 680 . 1 1 93 93 THR CB C 13 71.337 0.1 . . . . . . 72 THR CB . 7218 1 681 . 1 1 93 93 THR N N 15 112.049 0.05 . . . . . . 72 THR N . 7218 1 682 . 1 1 94 94 GLN H H 1 9.324 0.05 . . . . . . 73 GLN H . 7218 1 683 . 1 1 94 94 GLN HA H 1 3.680 0.05 . . . . . . 73 GLN HA . 7218 1 684 . 1 1 94 94 GLN HB2 H 1 2.250 0.05 . . . . . . 73 GLN HB2 . 7218 1 685 . 1 1 94 94 GLN HB3 H 1 2.133 0.05 . . . . . . 73 GLN HB3 . 7218 1 686 . 1 1 94 94 GLN HE21 H 1 7.718 0.05 . . . . . . 73 GLN HE21 . 7218 1 687 . 1 1 94 94 GLN HE22 H 1 7.033 0.05 . . . . . . 73 GLN HE22 . 7218 1 688 . 1 1 94 94 GLN C C 13 174.311 0.1 . . . . . . 73 GLN C . 7218 1 689 . 1 1 94 94 GLN CA C 13 53.274 0.1 . . . . . . 73 GLN CA . 7218 1 690 . 1 1 94 94 GLN N N 15 122.100 0.05 . . . . . . 73 GLN N . 7218 1 691 . 1 1 94 94 GLN NE2 N 15 112.617 0.05 . . . . . . 73 GLN NE2 . 7218 1 692 . 1 1 95 95 GLY H H 1 8.012 0.05 . . . . . . 74 GLY H . 7218 1 693 . 1 1 95 95 GLY HA2 H 1 3.949 0.05 . . . . . . 74 GLY HA1 . 7218 1 694 . 1 1 95 95 GLY HA3 H 1 4.980 0.000 . . . . . . 74 GLY HA2 . 7218 1 695 . 1 1 95 95 GLY C C 13 177.381 0.1 . . . . . . 74 GLY C . 7218 1 696 . 1 1 95 95 GLY CA C 13 47.100 0.1 . . . . . . 74 GLY CA . 7218 1 697 . 1 1 95 95 GLY N N 15 109.785 0.05 . . . . . . 74 GLY N . 7218 1 698 . 1 1 96 96 GLU H H 1 7.917 0.05 . . . . . . 75 GLU H . 7218 1 699 . 1 1 96 96 GLU HA H 1 3.928 0.05 . . . . . . 75 GLU HA . 7218 1 700 . 1 1 96 96 GLU HB2 H 1 1.906 0.000 . . . . . . 75 GLU HB2 . 7218 1 701 . 1 1 96 96 GLU HG2 H 1 2.245 0.000 . . . . . . 75 GLU HG2 . 7218 1 702 . 1 1 96 96 GLU C C 13 179.070 0.1 . . . . . . 75 GLU C . 7218 1 703 . 1 1 96 96 GLU CA C 13 59.200 0.1 . . . . . . 75 GLU CA . 7218 1 704 . 1 1 96 96 GLU CB C 13 29.511 0.1 . . . . . . 75 GLU CB . 7218 1 705 . 1 1 96 96 GLU N N 15 122.544 0.05 . . . . . . 75 GLU N . 7218 1 706 . 1 1 97 97 ALA H H 1 7.866 0.05 . . . . . . 76 ALA H . 7218 1 707 . 1 1 97 97 ALA HA H 1 3.980 0.05 . . . . . . 76 ALA HA . 7218 1 708 . 1 1 97 97 ALA HB1 H 1 0.713 0.000 . . . . . . 76 ALA HB . 7218 1 709 . 1 1 97 97 ALA HB2 H 1 0.713 0.000 . . . . . . 76 ALA HB . 7218 1 710 . 1 1 97 97 ALA HB3 H 1 0.713 0.000 . . . . . . 76 ALA HB . 7218 1 711 . 1 1 97 97 ALA C C 13 180.629 0.1 . . . . . . 76 ALA C . 7218 1 712 . 1 1 97 97 ALA CA C 13 54.711 0.1 . . . . . . 76 ALA CA . 7218 1 713 . 1 1 97 97 ALA CB C 13 18.423 0.1 . . . . . . 76 ALA CB . 7218 1 714 . 1 1 97 97 ALA N N 15 123.926 0.05 . . . . . . 76 ALA N . 7218 1 715 . 1 1 98 98 ARG H H 1 8.035 0.05 . . . . . . 77 ARG H . 7218 1 716 . 1 1 98 98 ARG HA H 1 3.653 0.05 . . . . . . 77 ARG HA . 7218 1 717 . 1 1 98 98 ARG HB2 H 1 1.594 0.000 . . . . . . 77 ARG HB2 . 7218 1 718 . 1 1 98 98 ARG C C 13 176.803 0.1 . . . . . . 77 ARG C . 7218 1 719 . 1 1 98 98 ARG CA C 13 60.236 0.1 . . . . . . 77 ARG CA . 7218 1 720 . 1 1 98 98 ARG CB C 13 32.255 0.1 . . . . . . 77 ARG CB . 7218 1 721 . 1 1 98 98 ARG N N 15 119.815 0.05 . . . . . . 77 ARG N . 7218 1 722 . 1 1 99 99 ALA H H 1 7.880 0.05 . . . . . . 78 ALA H . 7218 1 723 . 1 1 99 99 ALA HA H 1 4.201 0.05 . . . . . . 78 ALA HA . 7218 1 724 . 1 1 99 99 ALA HB1 H 1 1.451 0.000 . . . . . . 78 ALA HB . 7218 1 725 . 1 1 99 99 ALA HB2 H 1 1.451 0.000 . . . . . . 78 ALA HB . 7218 1 726 . 1 1 99 99 ALA HB3 H 1 1.451 0.000 . . . . . . 78 ALA HB . 7218 1 727 . 1 1 99 99 ALA C C 13 177.105 0.1 . . . . . . 78 ALA C . 7218 1 728 . 1 1 99 99 ALA CA C 13 58.766 0.1 . . . . . . 78 ALA CA . 7218 1 729 . 1 1 99 99 ALA CB C 13 18.869 0.1 . . . . . . 78 ALA CB . 7218 1 730 . 1 1 99 99 ALA N N 15 122.694 0.05 . . . . . . 78 ALA N . 7218 1 731 . 1 1 100 100 TYR H H 1 7.859 0.05 . . . . . . 79 TYR H . 7218 1 732 . 1 1 100 100 TYR HA H 1 3.880 0.05 . . . . . . 79 TYR HA . 7218 1 733 . 1 1 100 100 TYR C C 13 177.609 0.1 . . . . . . 79 TYR C . 7218 1 734 . 1 1 100 100 TYR CA C 13 55.223 0.1 . . . . . . 79 TYR CA . 7218 1 735 . 1 1 100 100 TYR N N 15 118.749 0.05 . . . . . . 79 TYR N . 7218 1 736 . 1 1 101 101 SER H H 1 7.247 0.05 . . . . . . 80 SER H . 7218 1 737 . 1 1 101 101 SER HA H 1 4.383 0.05 . . . . . . 80 SER HA . 7218 1 738 . 1 1 101 101 SER HB2 H 1 3.937 0.000 . . . . . . 80 SER HB2 . 7218 1 739 . 1 1 101 101 SER CA C 13 62.285 0.1 . . . . . . 80 SER CA . 7218 1 740 . 1 1 101 101 SER CB C 13 64.914 0.1 . . . . . . 80 SER CB . 7218 1 741 . 1 1 101 101 SER N N 15 112.836 0.05 . . . . . . 80 SER N . 7218 1 742 . 1 1 103 103 LYS C C 13 176.764 0.1 . . . . . . 82 LYS C . 7218 1 743 . 1 1 103 103 LYS CB C 13 30.060 0.1 . . . . . . 82 LYS CB . 7218 1 744 . 1 1 104 104 GLU H H 1 8.615 0.05 . . . . . . 83 GLU H . 7218 1 745 . 1 1 104 104 GLU HA H 1 4.178 0.05 . . . . . . 83 GLU HA . 7218 1 746 . 1 1 104 104 GLU HB2 H 1 1.969 0.000 . . . . . . 83 GLU HB2 . 7218 1 747 . 1 1 104 104 GLU HG2 H 1 2.253 0.000 . . . . . . 83 GLU HG2 . 7218 1 748 . 1 1 104 104 GLU C C 13 178.903 0.1 . . . . . . 83 GLU C . 7218 1 749 . 1 1 104 104 GLU CA C 13 59.335 0.1 . . . . . . 83 GLU CA . 7218 1 750 . 1 1 104 104 GLU CB C 13 30.231 0.1 . . . . . . 83 GLU CB . 7218 1 751 . 1 1 104 104 GLU N N 15 121.521 0.05 . . . . . . 83 GLU N . 7218 1 752 . 1 1 105 105 ASP H H 1 8.426 0.05 . . . . . . 84 ASP H . 7218 1 753 . 1 1 105 105 ASP HA H 1 4.223 0.05 . . . . . . 84 ASP HA . 7218 1 754 . 1 1 105 105 ASP HB2 H 1 2.613 0.000 . . . . . . 84 ASP HB2 . 7218 1 755 . 1 1 105 105 ASP C C 13 176.667 0.1 . . . . . . 84 ASP C . 7218 1 756 . 1 1 105 105 ASP CA C 13 56.837 0.1 . . . . . . 84 ASP CA . 7218 1 757 . 1 1 105 105 ASP CB C 13 40.282 0.1 . . . . . . 84 ASP CB . 7218 1 758 . 1 1 105 105 ASP N N 15 116.768 0.05 . . . . . . 84 ASP N . 7218 1 759 . 1 1 106 106 THR H H 1 8.919 0.05 . . . . . . 85 THR H . 7218 1 760 . 1 1 106 106 THR HA H 1 3.868 0.05 . . . . . . 85 THR HA . 7218 1 761 . 1 1 106 106 THR HB H 1 4.741 0.05 . . . . . . 85 THR HB . 7218 1 762 . 1 1 106 106 THR HG21 H 1 1.077 0.000 . . . . . . 85 THR HG2 . 7218 1 763 . 1 1 106 106 THR HG22 H 1 1.077 0.000 . . . . . . 85 THR HG2 . 7218 1 764 . 1 1 106 106 THR HG23 H 1 1.077 0.000 . . . . . . 85 THR HG2 . 7218 1 765 . 1 1 106 106 THR C C 13 174.041 0.1 . . . . . . 85 THR C . 7218 1 766 . 1 1 106 106 THR N N 15 105.549 0.05 . . . . . . 85 THR N . 7218 1 767 . 1 1 107 107 ARG H H 1 7.150 0.05 . . . . . . 86 ARG H . 7218 1 768 . 1 1 107 107 ARG HA H 1 3.907 0.05 . . . . . . 86 ARG HA . 7218 1 769 . 1 1 107 107 ARG HB2 H 1 2.014 0.05 . . . . . . 86 ARG HB2 . 7218 1 770 . 1 1 107 107 ARG HB3 H 1 1.508 0.05 . . . . . . 86 ARG HB3 . 7218 1 771 . 1 1 107 107 ARG C C 13 176.636 0.1 . . . . . . 86 ARG C . 7218 1 772 . 1 1 107 107 ARG CA C 13 58.797 0.1 . . . . . . 86 ARG CA . 7218 1 773 . 1 1 107 107 ARG CB C 13 31.073 0.1 . . . . . . 86 ARG CB . 7218 1 774 . 1 1 107 107 ARG N N 15 123.418 0.05 . . . . . . 86 ARG N . 7218 1 775 . 1 1 108 108 LEU H H 1 9.605 0.05 . . . . . . 87 LEU H . 7218 1 776 . 1 1 108 108 LEU HA H 1 4.581 0.05 . . . . . . 87 LEU HA . 7218 1 777 . 1 1 108 108 LEU HB2 H 1 1.573 0.000 . . . . . . 87 LEU HB2 . 7218 1 778 . 1 1 108 108 LEU HD11 H 1 0.880 0.000 . . . . . . 87 LEU HD1 . 7218 1 779 . 1 1 108 108 LEU HD12 H 1 0.880 0.000 . . . . . . 87 LEU HD1 . 7218 1 780 . 1 1 108 108 LEU HD13 H 1 0.880 0.000 . . . . . . 87 LEU HD1 . 7218 1 781 . 1 1 108 108 LEU C C 13 176.657 0.1 . . . . . . 87 LEU C . 7218 1 782 . 1 1 108 108 LEU CA C 13 55.656 0.1 . . . . . . 87 LEU CA . 7218 1 783 . 1 1 108 108 LEU CB C 13 44.483 0.1 . . . . . . 87 LEU CB . 7218 1 784 . 1 1 108 108 LEU N N 15 128.279 0.05 . . . . . . 87 LEU N . 7218 1 785 . 1 1 109 109 GLU H H 1 7.691 0.05 . . . . . . 88 GLU H . 7218 1 786 . 1 1 109 109 GLU HA H 1 4.438 0.05 . . . . . . 88 GLU HA . 7218 1 787 . 1 1 109 109 GLU HB2 H 1 2.313 0.05 . . . . . . 88 GLU HB2 . 7218 1 788 . 1 1 109 109 GLU HB3 H 1 2.073 0.05 . . . . . . 88 GLU HB3 . 7218 1 789 . 1 1 109 109 GLU HG2 H 1 2.467 0.000 . . . . . . 88 GLU HG2 . 7218 1 790 . 1 1 109 109 GLU C C 13 173.037 0.1 . . . . . . 88 GLU C . 7218 1 791 . 1 1 109 109 GLU CA C 13 55.182 0.1 . . . . . . 88 GLU CA . 7218 1 792 . 1 1 109 109 GLU CB C 13 34.083 0.1 . . . . . . 88 GLU CB . 7218 1 793 . 1 1 109 109 GLU N N 15 117.455 0.05 . . . . . . 88 GLU N . 7218 1 794 . 1 1 110 110 GLY H H 1 8.181 0.05 . . . . . . 89 GLY H . 7218 1 795 . 1 1 110 110 GLY HA2 H 1 3.139 0.05 . . . . . . 89 GLY HA1 . 7218 1 796 . 1 1 110 110 GLY HA3 H 1 1.401 0.05 . . . . . . 89 GLY HA2 . 7218 1 797 . 1 1 110 110 GLY CA C 13 40.178 0.1 . . . . . . 89 GLY CA . 7218 1 798 . 1 1 110 110 GLY N N 15 111.108 0.05 . . . . . . 89 GLY N . 7218 1 799 . 1 1 111 111 PRO HA H 1 5.044 0.05 . . . . . . 90 PRO HA . 7218 1 800 . 1 1 111 111 PRO HB2 H 1 2.161 0.000 . . . . . . 90 PRO HB2 . 7218 1 801 . 1 1 111 111 PRO C C 13 174.613 0.1 . . . . . . 90 PRO C . 7218 1 802 . 1 1 111 111 PRO CA C 13 61.963 0.1 . . . . . . 90 PRO CA . 7218 1 803 . 1 1 111 111 PRO CB C 13 35.308 0.1 . . . . . . 90 PRO CB . 7218 1 804 . 1 1 112 112 TRP H H 1 8.932 0.05 . . . . . . 91 TRP H . 7218 1 805 . 1 1 112 112 TRP HA H 1 4.438 0.05 . . . . . . 91 TRP HA . 7218 1 806 . 1 1 112 112 TRP HB2 H 1 2.772 0.05 . . . . . . 91 TRP HB2 . 7218 1 807 . 1 1 112 112 TRP HB3 H 1 2.523 0.05 . . . . . . 91 TRP HB3 . 7218 1 808 . 1 1 112 112 TRP HE1 H 1 10.053 0.05 . . . . . . 91 TRP HE1 . 7218 1 809 . 1 1 112 112 TRP C C 13 173.149 0.1 . . . . . . 91 TRP C . 7218 1 810 . 1 1 112 112 TRP CA C 13 59.155 0.1 . . . . . . 91 TRP CA . 7218 1 811 . 1 1 112 112 TRP CB C 13 30.447 0.1 . . . . . . 91 TRP CB . 7218 1 812 . 1 1 112 112 TRP N N 15 120.559 0.05 . . . . . . 91 TRP N . 7218 1 813 . 1 1 112 112 TRP NE1 N 15 129.285 0.05 . . . . . . 91 TRP NE1 . 7218 1 814 . 1 1 113 113 GLU H H 1 7.874 0.05 . . . . . . 92 GLU H . 7218 1 815 . 1 1 113 113 GLU HA H 1 5.133 0.05 . . . . . . 92 GLU HA . 7218 1 816 . 1 1 113 113 GLU HB2 H 1 2.075 0.05 . . . . . . 92 GLU HB2 . 7218 1 817 . 1 1 113 113 GLU HB3 H 1 1.702 0.05 . . . . . . 92 GLU HB3 . 7218 1 818 . 1 1 113 113 GLU HG2 H 1 2.170 0.000 . . . . . . 92 GLU HG2 . 7218 1 819 . 1 1 113 113 GLU C C 13 174.568 0.1 . . . . . . 92 GLU C . 7218 1 820 . 1 1 113 113 GLU CA C 13 54.789 0.1 . . . . . . 92 GLU CA . 7218 1 821 . 1 1 113 113 GLU CB C 13 34.316 0.1 . . . . . . 92 GLU CB . 7218 1 822 . 1 1 113 113 GLU N N 15 120.373 0.05 . . . . . . 92 GLU N . 7218 1 823 . 1 1 114 114 TYR H H 1 9.591 0.05 . . . . . . 93 TYR H . 7218 1 824 . 1 1 114 114 TYR HA H 1 5.047 0.05 . . . . . . 93 TYR HA . 7218 1 825 . 1 1 114 114 TYR HB2 H 1 3.368 0.05 . . . . . . 93 TYR HB2 . 7218 1 826 . 1 1 114 114 TYR HB3 H 1 2.645 0.05 . . . . . . 93 TYR HB3 . 7218 1 827 . 1 1 114 114 TYR HD1 H 1 7.124 0.05 . . . . . . 93 TYR HD1 . 7218 1 828 . 1 1 114 114 TYR C C 13 174.611 0.1 . . . . . . 93 TYR C . 7218 1 829 . 1 1 114 114 TYR CA C 13 56.120 0.1 . . . . . . 93 TYR CA . 7218 1 830 . 1 1 114 114 TYR CB C 13 44.550 0.1 . . . . . . 93 TYR CB . 7218 1 831 . 1 1 114 114 TYR N N 15 122.594 0.05 . . . . . . 93 TYR N . 7218 1 832 . 1 1 115 115 GLY H H 1 8.982 0.05 . . . . . . 94 GLY H . 7218 1 833 . 1 1 115 115 GLY HA2 H 1 4.823 0.05 . . . . . . 94 GLY HA1 . 7218 1 834 . 1 1 115 115 GLY HA3 H 1 3.843 0.05 . . . . . . 94 GLY HA2 . 7218 1 835 . 1 1 115 115 GLY C C 13 174.519 0.1 . . . . . . 94 GLY C . 7218 1 836 . 1 1 115 115 GLY CA C 13 44.916 0.1 . . . . . . 94 GLY CA . 7218 1 837 . 1 1 115 115 GLY N N 15 108.201 0.05 . . . . . . 94 GLY N . 7218 1 838 . 1 1 116 116 GLU H H 1 8.386 0.05 . . . . . . 95 GLU H . 7218 1 839 . 1 1 116 116 GLU HA H 1 4.671 0.05 . . . . . . 95 GLU HA . 7218 1 840 . 1 1 116 116 GLU HB2 H 1 1.869 0.05 . . . . . . 95 GLU HB2 . 7218 1 841 . 1 1 116 116 GLU HB3 H 1 1.733 0.05 . . . . . . 95 GLU HB3 . 7218 1 842 . 1 1 116 116 GLU CA C 13 55.438 0.1 . . . . . . 95 GLU CA . 7218 1 843 . 1 1 116 116 GLU CB C 13 32.661 0.1 . . . . . . 95 GLU CB . 7218 1 844 . 1 1 116 116 GLU N N 15 121.926 0.05 . . . . . . 95 GLU N . 7218 1 845 . 1 1 117 117 PHE H H 1 9.672 0.05 . . . . . . 96 PHE H . 7218 1 846 . 1 1 117 117 PHE HA H 1 5.692 0.05 . . . . . . 96 PHE HA . 7218 1 847 . 1 1 117 117 PHE HB2 H 1 3.356 0.000 . . . . . . 96 PHE HB2 . 7218 1 848 . 1 1 117 117 PHE HD1 H 1 7.340 0.000 . . . . . . 96 PHE HD1 . 7218 1 849 . 1 1 117 117 PHE C C 13 172.218 0.1 . . . . . . 96 PHE C . 7218 1 850 . 1 1 117 117 PHE CA C 13 57.159 0.1 . . . . . . 96 PHE CA . 7218 1 851 . 1 1 117 117 PHE CB C 13 41.560 0.1 . . . . . . 96 PHE CB . 7218 1 852 . 1 1 117 117 PHE N N 15 123.557 0.05 . . . . . . 96 PHE N . 7218 1 853 . 1 1 118 118 VAL H H 1 9.216 0.05 . . . . . . 97 VAL H . 7218 1 854 . 1 1 118 118 VAL HA H 1 5.023 0.05 . . . . . . 97 VAL HA . 7218 1 855 . 1 1 118 118 VAL CA C 13 59.005 0.1 . . . . . . 97 VAL CA . 7218 1 856 . 1 1 118 118 VAL N N 15 126.506 0.05 . . . . . . 97 VAL N . 7218 1 857 . 1 1 119 119 PRO HA H 1 4.478 0.05 . . . . . . 98 PRO HA . 7218 1 858 . 1 1 119 119 PRO HB2 H 1 2.179 0.05 . . . . . . 98 PRO HB2 . 7218 1 859 . 1 1 119 119 PRO HB3 H 1 1.833 0.05 . . . . . . 98 PRO HB3 . 7218 1 860 . 1 1 119 119 PRO HG2 H 1 2.012 0.000 . . . . . . 98 PRO HG2 . 7218 1 861 . 1 1 119 119 PRO C C 13 177.376 0.1 . . . . . . 98 PRO C . 7218 1 862 . 1 1 119 119 PRO CA C 13 62.703 0.1 . . . . . . 98 PRO CA . 7218 1 863 . 1 1 119 119 PRO CB C 13 31.795 0.1 . . . . . . 98 PRO CB . 7218 1 864 . 1 1 120 120 THR H H 1 8.706 0.05 . . . . . . 99 THR H . 7218 1 865 . 1 1 120 120 THR HA H 1 4.277 0.05 . . . . . . 99 THR HA . 7218 1 866 . 1 1 120 120 THR HB H 1 4.152 0.05 . . . . . . 99 THR HB . 7218 1 867 . 1 1 120 120 THR HG21 H 1 1.191 0.000 . . . . . . 99 THR HG2 . 7218 1 868 . 1 1 120 120 THR HG22 H 1 1.191 0.000 . . . . . . 99 THR HG2 . 7218 1 869 . 1 1 120 120 THR HG23 H 1 1.191 0.000 . . . . . . 99 THR HG2 . 7218 1 870 . 1 1 120 120 THR C C 13 174.732 0.1 . . . . . . 99 THR C . 7218 1 871 . 1 1 120 120 THR CA C 13 62.004 0.1 . . . . . . 99 THR CA . 7218 1 872 . 1 1 120 120 THR CB C 13 70.230 0.1 . . . . . . 99 THR CB . 7218 1 873 . 1 1 120 120 THR N N 15 117.965 0.05 . . . . . . 99 THR N . 7218 1 874 . 1 1 121 121 ILE H H 1 8.338 0.05 . . . . . . 100 ILE H . 7218 1 875 . 1 1 121 121 ILE HA H 1 4.190 0.05 . . . . . . 100 ILE HA . 7218 1 876 . 1 1 121 121 ILE HB H 1 1.864 0.05 . . . . . . 100 ILE HB . 7218 1 877 . 1 1 121 121 ILE HG12 H 1 1.454 0.05 . . . . . . 100 ILE HG12 . 7218 1 878 . 1 1 121 121 ILE HG13 H 1 1.220 0.05 . . . . . . 100 ILE HG13 . 7218 1 879 . 1 1 121 121 ILE HG21 H 1 0.901 0.000 . . . . . . 100 ILE QG2 . 7218 1 880 . 1 1 121 121 ILE HG22 H 1 0.901 0.000 . . . . . . 100 ILE QG2 . 7218 1 881 . 1 1 121 121 ILE HG23 H 1 0.901 0.000 . . . . . . 100 ILE QG2 . 7218 1 882 . 1 1 121 121 ILE C C 13 176.286 0.1 . . . . . . 100 ILE C . 7218 1 883 . 1 1 121 121 ILE CA C 13 61.406 0.1 . . . . . . 100 ILE CA . 7218 1 884 . 1 1 121 121 ILE CB C 13 38.594 0.1 . . . . . . 100 ILE CB . 7218 1 885 . 1 1 121 121 ILE N N 15 124.035 0.05 . . . . . . 100 ILE N . 7218 1 886 . 1 1 122 122 GLU H H 1 8.506 0.05 . . . . . . 101 GLU H . 7218 1 887 . 1 1 122 122 GLU HA H 1 4.236 0.05 . . . . . . 101 GLU HA . 7218 1 888 . 1 1 122 122 GLU HB2 H 1 2.033 0.05 . . . . . . 101 GLU HB2 . 7218 1 889 . 1 1 122 122 GLU HB3 H 1 1.924 0.05 . . . . . . 101 GLU HB3 . 7218 1 890 . 1 1 122 122 GLU HG2 H 1 2.252 0.000 . . . . . . 101 GLU HG2 . 7218 1 891 . 1 1 122 122 GLU C C 13 176.522 0.1 . . . . . . 101 GLU C . 7218 1 892 . 1 1 122 122 GLU CA C 13 57.045 0.1 . . . . . . 101 GLU CA . 7218 1 893 . 1 1 122 122 GLU CB C 13 30.158 0.1 . . . . . . 101 GLU CB . 7218 1 894 . 1 1 122 122 GLU CG C 13 36.375 0.1 . . . . . . 101 GLU CG . 7218 1 895 . 1 1 122 122 GLU N N 15 124.890 0.05 . . . . . . 101 GLU N . 7218 1 896 . 1 1 123 123 ASP H H 1 8.338 0.05 . . . . . . 102 ASP H . 7218 1 897 . 1 1 123 123 ASP HA H 1 4.532 0.05 . . . . . . 102 ASP HA . 7218 1 898 . 1 1 123 123 ASP HB2 H 1 2.670 0.000 . . . . . . 102 ASP HB2 . 7218 1 899 . 1 1 123 123 ASP C C 13 176.694 0.1 . . . . . . 102 ASP C . 7218 1 900 . 1 1 123 123 ASP CA C 13 55.072 0.1 . . . . . . 102 ASP CA . 7218 1 901 . 1 1 123 123 ASP CB C 13 41.188 0.1 . . . . . . 102 ASP CB . 7218 1 902 . 1 1 123 123 ASP N N 15 121.972 0.05 . . . . . . 102 ASP N . 7218 1 903 . 1 1 124 124 LYS H H 1 8.285 0.05 . . . . . . 103 LYS H . 7218 1 904 . 1 1 124 124 LYS HA H 1 4.243 0.05 . . . . . . 103 LYS HA . 7218 1 905 . 1 1 124 124 LYS HB2 H 1 1.846 0.000 . . . . . . 103 LYS HB2 . 7218 1 906 . 1 1 124 124 LYS HG2 H 1 1.434 0.000 . . . . . . 103 LYS HG2 . 7218 1 907 . 1 1 124 124 LYS HD2 H 1 2.177 0.000 . . . . . . 103 LYS HD2 . 7218 1 908 . 1 1 124 124 LYS HZ1 H 1 2.001 0.000 . . . . . . 103 LYS HZ . 7218 1 909 . 1 1 124 124 LYS HZ2 H 1 2.001 0.000 . . . . . . 103 LYS HZ . 7218 1 910 . 1 1 124 124 LYS HZ3 H 1 2.001 0.000 . . . . . . 103 LYS HZ . 7218 1 911 . 1 1 124 124 LYS C C 13 177.168 0.1 . . . . . . 103 LYS C . 7218 1 912 . 1 1 124 124 LYS CA C 13 57.126 0.1 . . . . . . 103 LYS CA . 7218 1 913 . 1 1 124 124 LYS CB C 13 32.694 0.1 . . . . . . 103 LYS CB . 7218 1 914 . 1 1 124 124 LYS N N 15 121.446 0.05 . . . . . . 103 LYS N . 7218 1 915 . 1 1 125 125 LEU H H 1 8.188 0.05 . . . . . . 104 LEU H . 7218 1 916 . 1 1 125 125 LEU HA H 1 4.127 0.05 . . . . . . 104 LEU HA . 7218 1 917 . 1 1 125 125 LEU HB2 H 1 1.630 0.000 . . . . . . 104 LEU HB2 . 7218 1 918 . 1 1 125 125 LEU HD11 H 1 0.883 0.000 . . . . . . 104 LEU HD1 . 7218 1 919 . 1 1 125 125 LEU HD12 H 1 0.883 0.000 . . . . . . 104 LEU HD1 . 7218 1 920 . 1 1 125 125 LEU HD13 H 1 0.883 0.000 . . . . . . 104 LEU HD1 . 7218 1 921 . 1 1 125 125 LEU C C 13 176.549 0.1 . . . . . . 104 LEU C . 7218 1 922 . 1 1 125 125 LEU CA C 13 57.159 0.1 . . . . . . 104 LEU CA . 7218 1 923 . 1 1 125 125 LEU CB C 13 41.819 0.1 . . . . . . 104 LEU CB . 7218 1 924 . 1 1 125 125 LEU N N 15 121.940 0.05 . . . . . . 104 LEU N . 7218 1 925 . 1 1 126 126 ARG H H 1 8.069 0.05 . . . . . . 105 ARG H . 7218 1 926 . 1 1 126 126 ARG HA H 1 4.072 0.05 . . . . . . 105 ARG HA . 7218 1 927 . 1 1 126 126 ARG HB2 H 1 1.825 0.000 . . . . . . 105 ARG HB2 . 7218 1 928 . 1 1 126 126 ARG HD2 H 1 3.191 0.000 . . . . . . 105 ARG HD2 . 7218 1 929 . 1 1 126 126 ARG C C 13 176.746 0.1 . . . . . . 105 ARG C . 7218 1 930 . 1 1 126 126 ARG CA C 13 56.694 0.1 . . . . . . 105 ARG CA . 7218 1 931 . 1 1 126 126 ARG CB C 13 30.846 0.1 . . . . . . 105 ARG CB . 7218 1 932 . 1 1 126 126 ARG CG C 13 27.142 0.1 . . . . . . 105 ARG CG . 7218 1 933 . 1 1 126 126 ARG CD C 13 43.290 0.1 . . . . . . 105 ARG CD . 7218 1 934 . 1 1 126 126 ARG N N 15 121.068 0.05 . . . . . . 105 ARG N . 7218 1 935 . 1 1 127 127 GLU H H 1 8.275 0.05 . . . . . . 106 GLU H . 7218 1 936 . 1 1 127 127 GLU HA H 1 4.252 0.05 . . . . . . 106 GLU HA . 7218 1 937 . 1 1 127 127 GLU HB2 H 1 2.007 0.000 . . . . . . 106 GLU HB2 . 7218 1 938 . 1 1 127 127 GLU HG2 H 1 2.264 0.000 . . . . . . 106 GLU HG2 . 7218 1 939 . 1 1 127 127 GLU C C 13 176.768 0.1 . . . . . . 106 GLU C . 7218 1 940 . 1 1 127 127 GLU CA C 13 57.386 0.1 . . . . . . 106 GLU CA . 7218 1 941 . 1 1 127 127 GLU CB C 13 30.159 0.1 . . . . . . 106 GLU CB . 7218 1 942 . 1 1 127 127 GLU CG C 13 35.944 0.1 . . . . . . 106 GLU CG . 7218 1 943 . 1 1 127 127 GLU N N 15 121.455 0.05 . . . . . . 106 GLU N . 7218 1 944 . 1 1 128 128 VAL H H 1 8.097 0.05 . . . . . . 107 VAL H . 7218 1 945 . 1 1 128 128 VAL HA H 1 4.072 0.05 . . . . . . 107 VAL HA . 7218 1 946 . 1 1 128 128 VAL HB H 1 4.265 0.05 . . . . . . 107 VAL HB . 7218 1 947 . 1 1 128 128 VAL HG11 H 1 0.950 0.000 . . . . . . 107 VAL HG1 . 7218 1 948 . 1 1 128 128 VAL HG12 H 1 0.950 0.000 . . . . . . 107 VAL HG1 . 7218 1 949 . 1 1 128 128 VAL HG13 H 1 0.950 0.000 . . . . . . 107 VAL HG1 . 7218 1 950 . 1 1 128 128 VAL C C 13 176.526 0.1 . . . . . . 107 VAL C . 7218 1 951 . 1 1 128 128 VAL CA C 13 63.024 0.1 . . . . . . 107 VAL CA . 7218 1 952 . 1 1 128 128 VAL CB C 13 32.638 0.1 . . . . . . 107 VAL CB . 7218 1 953 . 1 1 128 128 VAL N N 15 120.739 0.05 . . . . . . 107 VAL N . 7218 1 954 . 1 1 129 129 MET H H 1 8.390 0.05 . . . . . . 108 MET H . 7218 1 955 . 1 1 129 129 MET HA H 1 313.565 0.05 . . . . . . 108 MET HA . 7218 1 956 . 1 1 129 129 MET HB2 H 1 2.062 0.000 . . . . . . 108 MET HB2 . 7218 1 957 . 1 1 129 129 MET HG2 H 1 2.583 0.000 . . . . . . 108 MET HG2 . 7218 1 958 . 1 1 129 129 MET C C 13 176.352 0.1 . . . . . . 108 MET C . 7218 1 959 . 1 1 129 129 MET CA C 13 55.989 0.1 . . . . . . 108 MET CA . 7218 1 960 . 1 1 129 129 MET CB C 13 32.796 0.1 . . . . . . 108 MET CB . 7218 1 961 . 1 1 129 129 MET N N 15 123.278 0.05 . . . . . . 108 MET N . 7218 1 962 . 1 1 130 130 ASN H H 1 8.390 0.05 . . . . . . 109 ASN H . 7218 1 963 . 1 1 130 130 ASN HA H 1 4.672 0.05 . . . . . . 109 ASN HA . 7218 1 964 . 1 1 130 130 ASN HB2 H 1 2.793 0.000 . . . . . . 109 ASN HB2 . 7218 1 965 . 1 1 130 130 ASN HD21 H 1 7.672 0.05 . . . . . . 109 ASN HD21 . 7218 1 966 . 1 1 130 130 ASN HD22 H 1 6.932 0.05 . . . . . . 109 ASN HD22 . 7218 1 967 . 1 1 130 130 ASN C C 13 175.160 0.1 . . . . . . 109 ASN C . 7218 1 968 . 1 1 130 130 ASN CA C 13 53.649 0.1 . . . . . . 109 ASN CA . 7218 1 969 . 1 1 130 130 ASN CB C 13 38.973 0.1 . . . . . . 109 ASN CB . 7218 1 970 . 1 1 130 130 ASN N N 15 119.985 0.05 . . . . . . 109 ASN N . 7218 1 971 . 1 1 130 130 ASN ND2 N 15 113.134 0.05 . . . . . . 109 ASN ND2 . 7218 1 972 . 1 1 131 131 ASP H H 1 8.331 0.05 . . . . . . 110 ASP H . 7218 1 973 . 1 1 131 131 ASP HA H 1 4.547 0.05 . . . . . . 110 ASP HA . 7218 1 974 . 1 1 131 131 ASP HB2 H 1 2.680 0.000 . . . . . . 110 ASP HB2 . 7218 1 975 . 1 1 131 131 ASP C C 13 176.482 0.1 . . . . . . 110 ASP C . 7218 1 976 . 1 1 131 131 ASP CA C 13 54.857 0.1 . . . . . . 110 ASP CA . 7218 1 977 . 1 1 131 131 ASP CB C 13 40.970 0.1 . . . . . . 110 ASP CB . 7218 1 978 . 1 1 131 131 ASP N N 15 120.835 0.05 . . . . . . 110 ASP N . 7218 1 979 . 1 1 132 132 MET H H 1 8.232 0.05 . . . . . . 111 MET H . 7218 1 980 . 1 1 132 132 MET HA H 1 4.422 0.05 . . . . . . 111 MET HA . 7218 1 981 . 1 1 132 132 MET HB2 H 1 2.055 0.000 . . . . . . 111 MET HB2 . 7218 1 982 . 1 1 132 132 MET HG2 H 1 2.672 0.000 . . . . . . 111 MET HG2 . 7218 1 983 . 1 1 132 132 MET C C 13 176.723 0.1 . . . . . . 111 MET C . 7218 1 984 . 1 1 132 132 MET CA C 13 56.172 0.1 . . . . . . 111 MET CA . 7218 1 985 . 1 1 132 132 MET CB C 13 32.371 0.1 . . . . . . 111 MET CB . 7218 1 986 . 1 1 132 132 MET N N 15 120.242 0.05 . . . . . . 111 MET N . 7218 1 987 . 1 1 133 133 LYS H H 1 8.255 0.05 . . . . . . 112 LYS H . 7218 1 988 . 1 1 133 133 LYS HA H 1 4.320 0.05 . . . . . . 112 LYS HA . 7218 1 989 . 1 1 133 133 LYS HB2 H 1 1.823 0.000 . . . . . . 112 LYS HB2 . 7218 1 990 . 1 1 133 133 LYS HG2 H 1 1.456 0.000 . . . . . . 112 LYS HG2 . 7218 1 991 . 1 1 133 133 LYS C C 13 176.747 0.1 . . . . . . 112 LYS C . 7218 1 992 . 1 1 133 133 LYS CA C 13 56.722 0.1 . . . . . . 112 LYS CA . 7218 1 993 . 1 1 133 133 LYS CB C 13 32.807 0.1 . . . . . . 112 LYS CB . 7218 1 994 . 1 1 133 133 LYS CG C 13 24.963 0.1 . . . . . . 112 LYS CG . 7218 1 995 . 1 1 133 133 LYS CD C 13 29.150 0.1 . . . . . . 112 LYS CD . 7218 1 996 . 1 1 133 133 LYS N N 15 122.060 0.05 . . . . . . 112 LYS N . 7218 1 997 . 1 1 134 134 ILE H H 1 8.183 0.05 . . . . . . 113 ILE H . 7218 1 998 . 1 1 134 134 ILE HA H 1 4.254 0.05 . . . . . . 113 ILE HA . 7218 1 999 . 1 1 134 134 ILE HB H 1 1.786 0.05 . . . . . . 113 ILE HB . 7218 1 1000 . 1 1 134 134 ILE HG12 H 1 1.213 0.000 . . . . . . 113 ILE QG1 . 7218 1 1001 . 1 1 134 134 ILE HG13 H 1 1.213 0.000 . . . . . . 113 ILE QG1 . 7218 1 1002 . 1 1 134 134 ILE HG21 H 1 0.873 0.000 . . . . . . 113 ILE QG2 . 7218 1 1003 . 1 1 134 134 ILE HG22 H 1 0.873 0.000 . . . . . . 113 ILE QG2 . 7218 1 1004 . 1 1 134 134 ILE HG23 H 1 0.873 0.000 . . . . . . 113 ILE QG2 . 7218 1 1005 . 1 1 134 134 ILE C C 13 176.662 0.1 . . . . . . 113 ILE C . 7218 1 1006 . 1 1 134 134 ILE CA C 13 61.421 0.1 . . . . . . 113 ILE CA . 7218 1 1007 . 1 1 134 134 ILE CB C 13 38.416 0.1 . . . . . . 113 ILE CB . 7218 1 1008 . 1 1 134 134 ILE N N 15 121.862 0.05 . . . . . . 113 ILE N . 7218 1 1009 . 1 1 135 135 THR H H 1 8.229 0.05 . . . . . . 114 THR H . 7218 1 1010 . 1 1 135 135 THR HA H 1 4.346 0.05 . . . . . . 114 THR HA . 7218 1 1011 . 1 1 135 135 THR HB H 1 4.238 0.05 . . . . . . 114 THR HB . 7218 1 1012 . 1 1 135 135 THR HG21 H 1 1.201 0.000 . . . . . . 114 THR HG2 . 7218 1 1013 . 1 1 135 135 THR HG22 H 1 1.201 0.000 . . . . . . 114 THR HG2 . 7218 1 1014 . 1 1 135 135 THR HG23 H 1 1.201 0.000 . . . . . . 114 THR HG2 . 7218 1 1015 . 1 1 135 135 THR C C 13 175.120 0.1 . . . . . . 114 THR C . 7218 1 1016 . 1 1 135 135 THR CA C 13 62.320 0.1 . . . . . . 114 THR CA . 7218 1 1017 . 1 1 135 135 THR CB C 13 70.089 0.1 . . . . . . 114 THR CB . 7218 1 1018 . 1 1 135 135 THR CG2 C 13 21.616 0.1 . . . . . . 114 THR CG2 . 7218 1 1019 . 1 1 135 135 THR N N 15 117.705 0.05 . . . . . . 114 THR N . 7218 1 1020 . 1 1 136 136 GLY H H 1 8.369 0.05 . . . . . . 115 GLY H . 7218 1 1021 . 1 1 136 136 GLY HA2 H 1 4.344 0.05 . . . . . . 115 GLY HA1 . 7218 1 1022 . 1 1 136 136 GLY HA3 H 1 3.980 0.000 . . . . . . 115 GLY HA2 . 7218 1 1023 . 1 1 136 136 GLY C C 13 173.722 0.1 . . . . . . 115 GLY C . 7218 1 1024 . 1 1 136 136 GLY CA C 13 45.431 0.1 . . . . . . 115 GLY CA . 7218 1 1025 . 1 1 136 136 GLY N N 15 111.439 0.05 . . . . . . 115 GLY N . 7218 1 1026 . 1 1 137 137 LYS H H 1 8.160 0.05 . . . . . . 116 LYS H . 7218 1 1027 . 1 1 137 137 LYS HA H 1 4.344 0.05 . . . . . . 116 LYS HA . 7218 1 1028 . 1 1 137 137 LYS HB2 H 1 1.764 0.000 . . . . . . 116 LYS HB2 . 7218 1 1029 . 1 1 137 137 LYS C C 13 175.837 0.1 . . . . . . 116 LYS C . 7218 1 1030 . 1 1 137 137 LYS CA C 13 56.588 0.1 . . . . . . 116 LYS CA . 7218 1 1031 . 1 1 137 137 LYS CB C 13 33.234 0.1 . . . . . . 116 LYS CB . 7218 1 1032 . 1 1 137 137 LYS CG C 13 24.718 0.1 . . . . . . 116 LYS CG . 7218 1 1033 . 1 1 137 137 LYS CD C 13 28.977 0.1 . . . . . . 116 LYS CD . 7218 1 1034 . 1 1 137 137 LYS CE C 13 42.287 0.1 . . . . . . 116 LYS CE . 7218 1 1035 . 1 1 137 137 LYS N N 15 121.624 0.05 . . . . . . 116 LYS N . 7218 1 1036 . 1 1 138 138 ARG H H 1 8.084 0.05 . . . . . . 117 ARG H . 7218 1 1037 . 1 1 138 138 ARG HA H 1 4.163 0.05 . . . . . . 117 ARG HA . 7218 1 1038 . 1 1 138 138 ARG HB2 H 1 1.727 0.000 . . . . . . 117 ARG HB2 . 7218 1 1039 . 1 1 138 138 ARG HD2 H 1 3.187 0.000 . . . . . . 117 ARG HD2 . 7218 1 1040 . 1 1 138 138 ARG CA C 13 57.638 0.1 . . . . . . 117 ARG CA . 7218 1 1041 . 1 1 138 138 ARG CB C 13 31.550 0.1 . . . . . . 117 ARG CB . 7218 1 1042 . 1 1 138 138 ARG N N 15 128.256 0.05 . . . . . . 117 ARG N . 7218 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7218 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_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 5 '3D HNHA' 1 $sample_1 isotropic 7218 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 23 23 ALA H H 1 . . 1 1 23 23 ALA HA H 1 . 6.52 . . 1.00 . . . . . . . . . . . 7218 1 2 3JHNHA . 1 1 27 27 ILE H H 1 . . 1 1 27 27 ILE HA H 1 . 6.62 . . 1.00 . . . . . . . . . . . 7218 1 3 3JHNHA . 1 1 28 28 CYS H H 1 . . 1 1 28 28 CYS HA H 1 . 8.86 . . 1.00 . . . . . . . . . . . 7218 1 4 3JHNHA . 1 1 29 29 TRP H H 1 . . 1 1 29 29 TRP HA H 1 . 9.23 . . 1.00 . . . . . . . . . . . 7218 1 5 3JHNHA . 1 1 30 30 CYS H H 1 . . 1 1 30 30 CYS HA H 1 . 8.23 . . 1.00 . . . . . . . . . . . 7218 1 6 3JHNHA . 1 1 31 31 PHE H H 1 . . 1 1 31 31 PHE HA H 1 . 6.34 . . 1.00 . . . . . . . . . . . 7218 1 7 3JHNHA . 1 1 32 32 THR H H 1 . . 1 1 32 32 THR HA H 1 . 8.49 . . 1.00 . . . . . . . . . . . 7218 1 8 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 8.41 . . 1.00 . . . . . . . . . . . 7218 1 9 3JHNHA . 1 1 37 37 LEU H H 1 . . 1 1 37 37 LEU HA H 1 . 8.65 . . 1.00 . . . . . . . . . . . 7218 1 10 3JHNHA . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER HA H 1 . 7.00 . . 1.00 . . . . . . . . . . . 7218 1 11 3JHNHA . 1 1 40 40 LEU H H 1 . . 1 1 40 40 LEU HA H 1 . 7.87 . . 1.00 . . . . . . . . . . . 7218 1 12 3JHNHA . 1 1 41 41 SER H H 1 . . 1 1 41 41 SER HA H 1 . 8.53 . . 1.00 . . . . . . . . . . . 7218 1 13 3JHNHA . 1 1 44 44 ASP H H 1 . . 1 1 44 44 ASP HA H 1 . 4.09 . . 1.00 . . . . . . . . . . . 7218 1 14 3JHNHA . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER HA H 1 . 6.95 . . 1.00 . . . . . . . . . . . 7218 1 15 3JHNHA . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS HA H 1 . 8.68 . . 1.00 . . . . . . . . . . . 7218 1 16 3JHNHA . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU HA H 1 . 8.91 . . 1.00 . . . . . . . . . . . 7218 1 17 3JHNHA . 1 1 52 52 GLN H H 1 . . 1 1 52 52 GLN HA H 1 . 7.08 . . 1.00 . . . . . . . . . . . 7218 1 18 3JHNHA . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU HA H 1 . 8.90 . . 1.00 . . . . . . . . . . . 7218 1 19 3JHNHA . 1 1 55 55 GLN H H 1 . . 1 1 55 55 GLN HA H 1 . 7.42 . . 1.00 . . . . . . . . . . . 7218 1 20 3JHNHA . 1 1 56 56 GLY H H 1 . . 1 1 56 56 GLY HA H 1 . 8.17 . . 1.00 . . . . . . . . . . . 7218 1 21 3JHNHA . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU HA H 1 . 5.32 . . 1.00 . . . . . . . . . . . 7218 1 22 3JHNHA . 1 1 58 58 ALA H H 1 . . 1 1 58 58 ALA HA H 1 . 7.48 . . 1.00 . . . . . . . . . . . 7218 1 23 3JHNHA . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY HA H 1 . 5.36 . . 1.00 . . . . . . . . . . . 7218 1 24 3JHNHA . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY HA H 1 . 4.69 . . 1.00 . . . . . . . . . . . 7218 1 25 3JHNHA . 1 1 64 64 GLN H H 1 . . 1 1 64 64 GLN HA H 1 . 8.17 . . 1.00 . . . . . . . . . . . 7218 1 26 3JHNHA . 1 1 65 65 GLY H H 1 . . 1 1 65 65 GLY HA H 1 . 7.13 . . 1.00 . . . . . . . . . . . 7218 1 27 3JHNHA . 1 1 69 69 MET H H 1 . . 1 1 69 69 MET HA H 1 . 8.06 . . 1.00 . . . . . . . . . . . 7218 1 28 3JHNHA . 1 1 71 71 LYS H H 1 . . 1 1 71 71 LYS HA H 1 . 8.83 . . 1.00 . . . . . . . . . . . 7218 1 29 3JHNHA . 1 1 74 74 SER H H 1 . . 1 1 74 74 SER HA H 1 . 4.67 . . 1.00 . . . . . . . . . . . 7218 1 30 3JHNHA . 1 1 76 76 ALA H H 1 . . 1 1 76 76 ALA HA H 1 . 4.48 . . 1.00 . . . . . . . . . . . 7218 1 31 3JHNHA . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY HA H 1 . 3.99 . . 1.00 . . . . . . . . . . . 7218 1 32 3JHNHA . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY HA H 1 . 4.29 . . 1.00 . . . . . . . . . . . 7218 1 33 3JHNHA . 1 1 78 78 MET H H 1 . . 1 1 78 78 MET HA H 1 . 5.16 . . 1.00 . . . . . . . . . . . 7218 1 34 3JHNHA . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU HA H 1 . 6.88 . . 1.00 . . . . . . . . . . . 7218 1 35 3JHNHA . 1 1 82 82 ILE H H 1 . . 1 1 82 82 ILE HA H 1 . 8.58 . . 1.00 . . . . . . . . . . . 7218 1 36 3JHNHA . 1 1 85 85 ALA H H 1 . . 1 1 85 85 ALA HA H 1 . 5.19 . . 1.00 . . . . . . . . . . . 7218 1 37 3JHNHA . 1 1 86 86 HIS H H 1 . . 1 1 86 86 HIS HA H 1 . 8.82 . . 1.00 . . . . . . . . . . . 7218 1 38 3JHNHA . 1 1 88 88 GLU H H 1 . . 1 1 88 88 GLU HA H 1 . 8.01 . . 1.00 . . . . . . . . . . . 7218 1 39 3JHNHA . 1 1 92 92 GLY H H 1 . . 1 1 92 92 GLY HA H 1 . 6.49 . . 1.00 . . . . . . . . . . . 7218 1 40 3JHNHA . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR HA H 1 . 6.19 . . 1.00 . . . . . . . . . . . 7218 1 41 3JHNHA . 1 1 95 95 GLY H H 1 . . 1 1 95 95 GLY HA H 1 . 4.77 . . 1.00 . . . . . . . . . . . 7218 1 42 3JHNHA . 1 1 96 96 GLU H H 1 . . 1 1 96 96 GLU HA H 1 . 4.36 . . 1.00 . . . . . . . . . . . 7218 1 43 3JHNHA . 1 1 97 97 ALA H H 1 . . 1 1 97 97 ALA HA H 1 . 5.44 . . 1.00 . . . . . . . . . . . 7218 1 44 3JHNHA . 1 1 98 98 ARG H H 1 . . 1 1 98 98 ARG HA H 1 . 3.96 . . 1.00 . . . . . . . . . . . 7218 1 45 3JHNHA . 1 1 100 100 TYR H H 1 . . 1 1 100 100 TYR HA H 1 . 4.64 . . 1.00 . . . . . . . . . . . 7218 1 46 3JHNHA . 1 1 101 101 SER H H 1 . . 1 1 101 101 SER HA H 1 . 8.00 . . 1.00 . . . . . . . . . . . 7218 1 47 3JHNHA . 1 1 106 106 THR H H 1 . . 1 1 106 106 THR HA H 1 . 6.86 . . 1.00 . . . . . . . . . . . 7218 1 48 3JHNHA . 1 1 109 109 GLU H H 1 . . 1 1 109 109 GLU HA H 1 . 6.01 . . 1.00 . . . . . . . . . . . 7218 1 49 3JHNHA . 1 1 110 110 GLY H H 1 . . 1 1 110 110 GLY HA H 1 . 5.99 . . 1.00 . . . . . . . . . . . 7218 1 50 3JHNHA . 1 1 110 110 GLY H H 1 . . 1 1 110 110 GLY HA H 1 . 4.23 . . 1.00 . . . . . . . . . . . 7218 1 51 3JHNHA . 1 1 112 112 TRP H H 1 . . 1 1 112 112 TRP HA H 1 . 9.41 . . 1.00 . . . . . . . . . . . 7218 1 52 3JHNHA . 1 1 113 113 GLU H H 1 . . 1 1 113 113 GLU HA H 1 . 8.51 . . 1.00 . . . . . . . . . . . 7218 1 53 3JHNHA . 1 1 114 114 TYR H H 1 . . 1 1 114 114 TYR HA H 1 . 9.30 . . 1.00 . . . . . . . . . . . 7218 1 54 3JHNHA . 1 1 115 115 GLY H H 1 . . 1 1 115 115 GLY HA H 1 . 4.54 . . 1.00 . . . . . . . . . . . 7218 1 55 3JHNHA . 1 1 115 115 GLY H H 1 . . 1 1 115 115 GLY HA H 1 . 5.04 . . 1.00 . . . . . . . . . . . 7218 1 56 3JHNHA . 1 1 116 116 GLU H H 1 . . 1 1 116 116 GLU HA H 1 . 8.35 . . 1.00 . . . . . . . . . . . 7218 1 57 3JHNHA . 1 1 117 117 PHE H H 1 . . 1 1 117 117 PHE HA H 1 . 9.56 . . 1.00 . . . . . . . . . . . 7218 1 58 3JHNHA . 1 1 118 118 VAL H H 1 . . 1 1 118 118 VAL HA H 1 . 7.36 . . 1.00 . . . . . . . . . . . 7218 1 59 3JHNHA . 1 1 120 120 THR H H 1 . . 1 1 120 120 THR HA H 1 . 6.07 . . 1.00 . . . . . . . . . . . 7218 1 60 3JHNHA . 1 1 121 121 ILE H H 1 . . 1 1 121 121 ILE HA H 1 . 7.67 . . 1.00 . . . . . . . . . . . 7218 1 61 3JHNHA . 1 1 122 122 GLU H H 1 . . 1 1 122 122 GLU HA H 1 . 5.85 . . 1.00 . . . . . . . . . . . 7218 1 62 3JHNHA . 1 1 123 123 ASP H H 1 . . 1 1 123 123 ASP HA H 1 . 5.18 . . 1.00 . . . . . . . . . . . 7218 1 63 3JHNHA . 1 1 124 124 LYS H H 1 . . 1 1 124 124 LYS HA H 1 . 6.10 . . 1.00 . . . . . . . . . . . 7218 1 64 3JHNHA . 1 1 125 125 LEU H H 1 . . 1 1 125 125 LEU HA H 1 . 4.85 . . 1.00 . . . . . . . . . . . 7218 1 65 3JHNHA . 1 1 126 126 ARG H H 1 . . 1 1 126 126 ARG HA H 1 . 5.70 . . 1.00 . . . . . . . . . . . 7218 1 66 3JHNHA . 1 1 128 128 VAL H H 1 . . 1 1 128 128 VAL HA H 1 . 7.60 . . 1.00 . . . . . . . . . . . 7218 1 67 3JHNHA . 1 1 129 129 MET H H 1 . . 1 1 129 129 MET HA H 1 . 6.83 . . 1.00 . . . . . . . . . . . 7218 1 68 3JHNHA . 1 1 130 130 ASN H H 1 . . 1 1 130 130 ASN HA H 1 . 6.63 . . 1.00 . . . . . . . . . . . 7218 1 69 3JHNHA . 1 1 131 131 ASP H H 1 . . 1 1 131 131 ASP HA H 1 . 7.57 . . 1.00 . . . . . . . . . . . 7218 1 70 3JHNHA . 1 1 133 133 LYS H H 1 . . 1 1 133 133 LYS HA H 1 . 5.76 . . 1.00 . . . . . . . . . . . 7218 1 71 3JHNHA . 1 1 134 134 ILE H H 1 . . 1 1 134 134 ILE HA H 1 . 6.60 . . 1.00 . . . . . . . . . . . 7218 1 72 3JHNHA . 1 1 135 135 THR H H 1 . . 1 1 135 135 THR HA H 1 . 8.40 . . 1.00 . . . . . . . . . . . 7218 1 73 3JHNHA . 1 1 136 136 GLY H H 1 . . 1 1 136 136 GLY HA H 1 . 7.54 . . 1.00 . . . . . . . . . . . 7218 1 74 3JHNHA . 1 1 138 138 ARG H H 1 . . 1 1 138 138 ARG HA H 1 . 7.93 . . 1.00 . . . . . . . . . . . 7218 1 stop_ save_