data_16502 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16502 _Entry.Title ; Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor bound to 1,3,6-naphthalenetrisulfonate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-18 _Entry.Accession_date 2009-09-18 _Entry.Last_release_date 2009-09-18 _Entry.Original_release_date 2009-09-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.ORCID _Entry_author.Entry_ID 1 Rosa Lozano . M. . . 16502 2 'M. Angeles' Jimenez . L. . . 16502 3 Jorge Santoro . . . . 16502 4 Manuel Rico . . . . 16502 5 Guillermo Gimenez-Gallego . . . . 16502 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'NMR group, Instituto Quimica-Fisica Rocasolano, CSIC, Madrid, Spain' . 16502 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16502 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 790 16502 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-20 . original BMRB . 16502 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16493 'Entry containing chemical shifts for aFGF in its complex with MIHS' 16502 BMRB 16494 'Entry containing chemical shifts for free aFGF' 16502 PDB 1RML 'Coordinates for NMR solution structure of aFGF-NTS complex' 16502 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 16502 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1006/jmbi.1998.1977 _Citation.PubMed_ID 9719643 _Citation.Full_citation . _Citation.Title ; Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 899 _Citation.Page_last 915 _Citation.Year 1998 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antonio Pineda-Lucena . . . . 16502 1 2 'M. Angeles' Jimenez . . . . 16502 1 3 Jose Nieto . L. . . 16502 1 4 Jorge Santoro . . . . 16502 1 5 Manuel Rico . . . . 16502 1 6 Guillermo Gimenez-Gallego . . . . 16502 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acidic fibroblast growth factor' 16502 1 'angiogenesis inhibitors' 16502 1 naphthalenetrisulfonate 16502 1 suradista 16502 1 suramin 16502 1 stop_ save_ save_entry_citacion_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citacion_2 _Citation.Entry_ID 16502 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1006/jmbi.1994.1558 _Citation.PubMed_ID 7521397 _Citation.Full_citation . _Citation.Title ; 1H-NMR assignment and solution structure of human acidic fibroblast growth factor activated by inositol hexasulfate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 242 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 81 _Citation.Page_last 98 _Citation.Year 1994 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antonio Pineda-Lucena . . . . 16502 2 2 'M. Angeles' Jimenez . . . . 16502 2 3 Jose Nieto . L. . . 16502 2 4 Jorge Santoro . . . . 16502 2 5 Manuel Rico . . . . 16502 2 6 Guillermo Gimenez-Gallego . . . . 16502 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acidic fibroblast growth factor' 16502 2 heparin 16502 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16502 _Assembly.ID 1 _Assembly.Name aFGF-NTS _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15000 _Assembly.Enzyme_commission_number . _Assembly.Details 'acidic fibroblast growth factor bound to NTS' _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 'acidic fibroblast growth factor' 1 $aFGF A . yes native no no . . . 16502 1 2 1,3,6-naphthalenetrisulfonate 2 $NTS A . no native no no . . . 16502 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1RML . . 'solution NMR' . 'structure derived from the current NMR assignment' . 16502 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Growth factor' 16502 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aFGF _Entity.Sf_category entity _Entity.Sf_framecode aFGF _Entity.Entry_ID 16502 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aFGF _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 ; KKPKLLYCSNGGHFLRILPD GTVDGTRDRSDQHIQLQLSA ESVGEVYIKSTETGQYLAMD TDGLLYGSQTPNEECLFLER LEENHYNTYISKKHAEKNWF VGLKKNGSCKRGPRTHYGQK AILFLPLPVSSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N-terminal residue corresponds to Lys23' _Entity.Polymer_author_seq_details 'Protein construct lacks the 22 N-terminal residues.' _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 132 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Growth Factor' 16502 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 . LYS . 16502 1 2 . LYS . 16502 1 3 . PRO . 16502 1 4 . LYS . 16502 1 5 . LEU . 16502 1 6 . LEU . 16502 1 7 . TYR . 16502 1 8 . CYS . 16502 1 9 . SER . 16502 1 10 . ASN . 16502 1 11 . GLY . 16502 1 12 . GLY . 16502 1 13 . HIS . 16502 1 14 . PHE . 16502 1 15 . LEU . 16502 1 16 . ARG . 16502 1 17 . ILE . 16502 1 18 . LEU . 16502 1 19 . PRO . 16502 1 20 . ASP . 16502 1 21 . GLY . 16502 1 22 . THR . 16502 1 23 . VAL . 16502 1 24 . ASP . 16502 1 25 . GLY . 16502 1 26 . THR . 16502 1 27 . ARG . 16502 1 28 . ASP . 16502 1 29 . ARG . 16502 1 30 . SER . 16502 1 31 . ASP . 16502 1 32 . GLN . 16502 1 33 . HIS . 16502 1 34 . ILE . 16502 1 35 . GLN . 16502 1 36 . LEU . 16502 1 37 . GLN . 16502 1 38 . LEU . 16502 1 39 . SER . 16502 1 40 . ALA . 16502 1 41 . GLU . 16502 1 42 . SER . 16502 1 43 . VAL . 16502 1 44 . GLY . 16502 1 45 . GLU . 16502 1 46 . VAL . 16502 1 47 . TYR . 16502 1 48 . ILE . 16502 1 49 . LYS . 16502 1 50 . SER . 16502 1 51 . THR . 16502 1 52 . GLU . 16502 1 53 . THR . 16502 1 54 . GLY . 16502 1 55 . GLN . 16502 1 56 . TYR . 16502 1 57 . LEU . 16502 1 58 . ALA . 16502 1 59 . MET . 16502 1 60 . ASP . 16502 1 61 . THR . 16502 1 62 . ASP . 16502 1 63 . GLY . 16502 1 64 . LEU . 16502 1 65 . LEU . 16502 1 66 . TYR . 16502 1 67 . GLY . 16502 1 68 . SER . 16502 1 69 . GLN . 16502 1 70 . THR . 16502 1 71 . PRO . 16502 1 72 . ASN . 16502 1 73 . GLU . 16502 1 74 . GLU . 16502 1 75 . CYS . 16502 1 76 . LEU . 16502 1 77 . PHE . 16502 1 78 . LEU . 16502 1 79 . GLU . 16502 1 80 . ARG . 16502 1 81 . LEU . 16502 1 82 . GLU . 16502 1 83 . GLU . 16502 1 84 . ASN . 16502 1 85 . HIS . 16502 1 86 . TYR . 16502 1 87 . ASN . 16502 1 88 . THR . 16502 1 89 . TYR . 16502 1 90 . ILE . 16502 1 91 . SER . 16502 1 92 . LYS . 16502 1 93 . LYS . 16502 1 94 . HIS . 16502 1 95 . ALA . 16502 1 96 . GLU . 16502 1 97 . LYS . 16502 1 98 . ASN . 16502 1 99 . TRP . 16502 1 100 . PHE . 16502 1 101 . VAL . 16502 1 102 . GLY . 16502 1 103 . LEU . 16502 1 104 . LYS . 16502 1 105 . LYS . 16502 1 106 . ASN . 16502 1 107 . GLY . 16502 1 108 . SER . 16502 1 109 . CYS . 16502 1 110 . LYS . 16502 1 111 . ARG . 16502 1 112 . GLY . 16502 1 113 . PRO . 16502 1 114 . ARG . 16502 1 115 . THR . 16502 1 116 . HIS . 16502 1 117 . TYR . 16502 1 118 . GLY . 16502 1 119 . GLN . 16502 1 120 . LYS . 16502 1 121 . ALA . 16502 1 122 . ILE . 16502 1 123 . LEU . 16502 1 124 . PHE . 16502 1 125 . LEU . 16502 1 126 . PRO . 16502 1 127 . LEU . 16502 1 128 . PRO . 16502 1 129 . VAL . 16502 1 130 . SER . 16502 1 131 . SER . 16502 1 132 . ASP . 16502 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 . LYS 1 1 16502 1 . LYS 2 2 16502 1 . PRO 3 3 16502 1 . LYS 4 4 16502 1 . LEU 5 5 16502 1 . LEU 6 6 16502 1 . TYR 7 7 16502 1 . CYS 8 8 16502 1 . SER 9 9 16502 1 . ASN 10 10 16502 1 . GLY 11 11 16502 1 . GLY 12 12 16502 1 . HIS 13 13 16502 1 . PHE 14 14 16502 1 . LEU 15 15 16502 1 . ARG 16 16 16502 1 . ILE 17 17 16502 1 . LEU 18 18 16502 1 . PRO 19 19 16502 1 . ASP 20 20 16502 1 . GLY 21 21 16502 1 . THR 22 22 16502 1 . VAL 23 23 16502 1 . ASP 24 24 16502 1 . GLY 25 25 16502 1 . THR 26 26 16502 1 . ARG 27 27 16502 1 . ASP 28 28 16502 1 . ARG 29 29 16502 1 . SER 30 30 16502 1 . ASP 31 31 16502 1 . GLN 32 32 16502 1 . HIS 33 33 16502 1 . ILE 34 34 16502 1 . GLN 35 35 16502 1 . LEU 36 36 16502 1 . GLN 37 37 16502 1 . LEU 38 38 16502 1 . SER 39 39 16502 1 . ALA 40 40 16502 1 . GLU 41 41 16502 1 . SER 42 42 16502 1 . VAL 43 43 16502 1 . GLY 44 44 16502 1 . GLU 45 45 16502 1 . VAL 46 46 16502 1 . TYR 47 47 16502 1 . ILE 48 48 16502 1 . LYS 49 49 16502 1 . SER 50 50 16502 1 . THR 51 51 16502 1 . GLU 52 52 16502 1 . THR 53 53 16502 1 . GLY 54 54 16502 1 . GLN 55 55 16502 1 . TYR 56 56 16502 1 . LEU 57 57 16502 1 . ALA 58 58 16502 1 . MET 59 59 16502 1 . ASP 60 60 16502 1 . THR 61 61 16502 1 . ASP 62 62 16502 1 . GLY 63 63 16502 1 . LEU 64 64 16502 1 . LEU 65 65 16502 1 . TYR 66 66 16502 1 . GLY 67 67 16502 1 . SER 68 68 16502 1 . GLN 69 69 16502 1 . THR 70 70 16502 1 . PRO 71 71 16502 1 . ASN 72 72 16502 1 . GLU 73 73 16502 1 . GLU 74 74 16502 1 . CYS 75 75 16502 1 . LEU 76 76 16502 1 . PHE 77 77 16502 1 . LEU 78 78 16502 1 . GLU 79 79 16502 1 . ARG 80 80 16502 1 . LEU 81 81 16502 1 . GLU 82 82 16502 1 . GLU 83 83 16502 1 . ASN 84 84 16502 1 . HIS 85 85 16502 1 . TYR 86 86 16502 1 . ASN 87 87 16502 1 . THR 88 88 16502 1 . TYR 89 89 16502 1 . ILE 90 90 16502 1 . SER 91 91 16502 1 . LYS 92 92 16502 1 . LYS 93 93 16502 1 . HIS 94 94 16502 1 . ALA 95 95 16502 1 . GLU 96 96 16502 1 . LYS 97 97 16502 1 . ASN 98 98 16502 1 . TRP 99 99 16502 1 . PHE 100 100 16502 1 . VAL 101 101 16502 1 . GLY 102 102 16502 1 . LEU 103 103 16502 1 . LYS 104 104 16502 1 . LYS 105 105 16502 1 . ASN 106 106 16502 1 . GLY 107 107 16502 1 . SER 108 108 16502 1 . CYS 109 109 16502 1 . LYS 110 110 16502 1 . ARG 111 111 16502 1 . GLY 112 112 16502 1 . PRO 113 113 16502 1 . ARG 114 114 16502 1 . THR 115 115 16502 1 . HIS 116 116 16502 1 . TYR 117 117 16502 1 . GLY 118 118 16502 1 . GLN 119 119 16502 1 . LYS 120 120 16502 1 . ALA 121 121 16502 1 . ILE 122 122 16502 1 . LEU 123 123 16502 1 . PHE 124 124 16502 1 . LEU 125 125 16502 1 . PRO 126 126 16502 1 . LEU 127 127 16502 1 . PRO 128 128 16502 1 . VAL 129 129 16502 1 . SER 130 130 16502 1 . SER 131 131 16502 1 . ASP 132 132 16502 1 stop_ save_ save_NTS _Entity.Sf_category entity _Entity.Sf_framecode NTS _Entity.Entry_ID 16502 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NTS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID NTS _Entity.Nonpolymer_comp_label $chem_comp_NTS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . NTS . 16502 2 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 16502 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $aFGF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16502 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 16502 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $aFGF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMG47 . . . 16502 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NTS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NTS _Chem_comp.Entry_ID 16502 _Chem_comp.ID NTS _Chem_comp.Provenance PDB _Chem_comp.Name 'NAPHTHALENE TRISULFONATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NTS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NTS _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H5 O9 S3' _Chem_comp.Formula_weight 365.336 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1RML _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 4 12:50:32 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3 InChI InChI 1.03 16502 NTS ZPBSAMLXSQCSOX-UHFFFAOYSA-K InChIKey InChI 1.03 16502 NTS [O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O SMILES ACDLabs 10.04 16502 NTS [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O SMILES CACTVS 3.341 16502 NTS [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O SMILES_CANONICAL CACTVS 3.341 16502 NTS c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] SMILES 'OpenEye OEToolkits' 1.5.0 16502 NTS c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16502 NTS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID naphthalene-1,3,6-trisulfonate 'SYSTEMATIC NAME' ACDLabs 10.04 16502 NTS naphthalene-1,3,6-trisulfonate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16502 NTS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . yes no . . . . 15.880 . -2.603 . -1.223 . -1.200 1.184 0.000 1 . 16502 NTS C2 . C2 . . C . . N 0 . . . . yes no . . . . 16.444 . -3.861 . -1.008 . -2.213 0.275 0.000 2 . 16502 NTS C3 . C3 . . C . . N 0 . . . . yes no . . . . 15.774 . -5.011 . -1.421 . -1.948 -1.094 0.000 3 . 16502 NTS C4 . C4 . . C . . N 0 . . . . yes no . . . . 14.536 . -4.903 . -2.051 . -0.670 -1.560 0.000 4 . 16502 NTS C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.727 . -3.553 . -2.900 . 1.736 -1.096 -0.005 5 . 16502 NTS C6 . C6 . . C . . N 0 . . . . yes no . . . . 12.147 . -2.306 . -3.123 . 2.748 -0.186 0.000 6 . 16502 NTS C7 . C7 . . C . . N 0 . . . . yes no . . . . 12.810 . -1.151 . -2.713 . 2.484 1.182 0.000 7 . 16502 NTS C8 . C8 . . C . . N 0 . . . . yes no . . . . 14.050 . -1.245 . -2.081 . 1.205 1.649 0.000 8 . 16502 NTS C9 . C9 . . C . . N 0 . . . . yes no . . . . 14.638 . -2.492 . -1.854 . 0.133 0.740 0.000 9 . 16502 NTS C10 . C10 . . C . . N 0 . . . . yes no . . . . 13.968 . -3.647 . -2.268 . 0.402 -0.651 0.000 10 . 16502 NTS O11 . O11 . . O . . N 0 . . . . no no . . . . 15.658 . 0.030 . 0.094 . -1.476 3.346 1.385 11 . 16502 NTS O12 . O12 . . O . . N 0 . . . . no no . . . . 17.627 . -0.350 . -2.053 . -0.552 3.539 -0.840 12 . 16502 NTS O13 . O13 . . O . . N -1 . . . . no no . . . . 18.030 . -1.640 . 0.556 . -2.900 3.050 -0.545 13 . 16502 NTS O31 . O31 . . O . . N 0 . . . . no no . . . . 17.830 . -6.916 . -2.338 . -3.602 -2.503 1.396 14 . 16502 NTS O32 . O32 . . O . . N 0 . . . . no no . . . . 15.254 . -7.917 . -1.337 . -4.386 -1.584 -0.697 15 . 16502 NTS O33 . O33 . . O . . N -1 . . . . no no . . . . 17.196 . -6.718 . 0.526 . -2.818 -3.423 -0.697 16 . 16502 NTS O61 . O61 . . O . . N 0 . . . . no no . . . . 9.311 . -1.589 . -2.760 . 4.808 -0.878 1.396 17 . 16502 NTS O62 . O62 . . O . . N 0 . . . . no no . . . . 10.038 . -3.808 . -4.544 . 5.193 0.267 -0.698 18 . 16502 NTS O63 . O63 . . O . . N -1 . . . . no no . . . . 10.639 . -1.032 . -5.322 . 4.423 -2.024 -0.697 19 . 16502 NTS S1 . S1 . . S . . N 0 . . . . no no . . . . 16.802 . -1.137 . -0.660 . -1.559 2.909 0.000 20 . 16502 NTS S3 . S3 . . S . . N 0 . . . . no no . . . . 16.515 . -6.647 . -1.139 . -3.289 -2.237 0.000 21 . 16502 NTS S6 . S6 . . S . . N 0 . . . . no no . . . . 10.529 . -2.185 . -3.944 . 4.418 -0.747 0.000 22 . 16502 NTS H2 . H2 . . H . . N 0 . . . . no no . . . . 17.417 . -3.951 . -0.513 . -3.236 0.619 -0.001 23 . 16502 NTS H4 . H4 . . H . . N 0 . . . . no no . . . . 14.015 . -5.812 . -2.376 . -0.480 -2.624 0.000 24 . 16502 NTS H5 . H5 . . H . . N 0 . . . . no no . . . . 12.201 . -4.458 . -3.226 . 1.956 -2.153 -0.005 25 . 16502 NTS H7 . H7 . . H . . N 0 . . . . no no . . . . 12.356 . -0.169 . -2.887 . 3.306 1.883 0.000 26 . 16502 NTS H8 . H8 . . H . . N 0 . . . . no no . . . . 14.546 . -0.320 . -1.771 . 1.015 2.712 0.000 27 . 16502 NTS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C2 yes N 1 . 16502 NTS 2 . SING C1 C9 yes N 2 . 16502 NTS 3 . SING C1 S1 no N 3 . 16502 NTS 4 . SING C2 C3 yes N 4 . 16502 NTS 5 . SING C2 H2 no N 5 . 16502 NTS 6 . DOUB C3 C4 yes N 6 . 16502 NTS 7 . SING C3 S3 no N 7 . 16502 NTS 8 . SING C4 C10 yes N 8 . 16502 NTS 9 . SING C4 H4 no N 9 . 16502 NTS 10 . DOUB C5 C6 yes N 10 . 16502 NTS 11 . SING C5 C10 yes N 11 . 16502 NTS 12 . SING C5 H5 no N 12 . 16502 NTS 13 . SING C6 C7 yes N 13 . 16502 NTS 14 . SING C6 S6 no N 14 . 16502 NTS 15 . DOUB C7 C8 yes N 15 . 16502 NTS 16 . SING C7 H7 no N 16 . 16502 NTS 17 . SING C8 C9 yes N 17 . 16502 NTS 18 . SING C8 H8 no N 18 . 16502 NTS 19 . DOUB C9 C10 yes N 19 . 16502 NTS 20 . DOUB O11 S1 no N 20 . 16502 NTS 21 . DOUB O12 S1 no N 21 . 16502 NTS 22 . SING O13 S1 no N 22 . 16502 NTS 23 . DOUB O31 S3 no N 23 . 16502 NTS 24 . DOUB O32 S3 no N 24 . 16502 NTS 25 . SING O33 S3 no N 25 . 16502 NTS 26 . DOUB O61 S6 no N 26 . 16502 NTS 27 . DOUB O62 S6 no N 27 . 16502 NTS 28 . SING O63 S6 no N 28 . 16502 NTS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16502 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 aFGF 'natural abundance' . . 1 $aFGF . . . 1 2 mM . . . . 16502 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16502 1 3 TSP 'natural abundance' . . . . . . . 0.1 0.2 mM . . . . 16502 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 16502 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16502 1 6 NTS 'natural abundance' . . . . . . 2 . . mM . . . . 16502 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16502 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16502 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16502 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 aFGF 'natural abundance' . . 1 $aFGF . . . 1 2 mM . . . . 16502 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16502 2 3 TSP 'natural abundance' . . . . . . . 0.1 0.2 mM . . . . 16502 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 16502 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16502 2 6 NTS 'natural abundance' . . . . . . 2 . . mM . . . . 16502 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16502 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16502 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 16502 1 pH 6 . pH 16502 1 pressure 1.0 . atm 16502 1 temperature 298 . K 16502 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 16502 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16502 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16502 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16502 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16502 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 16502 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16502 _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 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16502 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16502 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16502 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16502 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' . . . 16502 1 2 '2D 1H-1H TOCSY' . . . 16502 1 3 '2D 1H-1H NOESY' . . . 16502 1 5 '2D 1H-1H TOCSY' . . . 16502 1 6 '2D 1H-1H NOESY' . . . 16502 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 2 2 LYS HA H 1 4.65 0.01 . 1 . . . . 24 LYS HA . 16502 1 2 . 1 1 2 2 LYS HB2 H 1 1.83 0.01 . 2 . . . . 24 LYS HB2 . 16502 1 3 . 1 1 2 2 LYS HB3 H 1 1.83 0.01 . 2 . . . . 24 LYS HB3 . 16502 1 4 . 1 1 3 3 PRO HA H 1 4.29 0.01 . 1 . . . . 25 PRO HA . 16502 1 5 . 1 1 3 3 PRO HD3 H 1 3.64 0.01 . 2 . . . . 25 PRO HD3 . 16502 1 6 . 1 1 4 4 LYS H H 1 9.38 0.01 . 1 . . . . 26 LYS HN . 16502 1 7 . 1 1 4 4 LYS HA H 1 5.00 0.01 . 1 . . . . 26 LYS HA . 16502 1 8 . 1 1 4 4 LYS HB2 H 1 1.80 0.01 . 2 . . . . 26 LYS HB2 . 16502 1 9 . 1 1 4 4 LYS HB3 H 1 1.51 0.01 . 2 . . . . 26 LYS HB3 . 16502 1 10 . 1 1 4 4 LYS HD2 H 1 1.80 0.01 . 2 . . . . 26 LYS HD2 . 16502 1 11 . 1 1 4 4 LYS HD3 H 1 1.80 0.01 . 2 . . . . 26 LYS HD3 . 16502 1 12 . 1 1 4 4 LYS HE2 H 1 3.20 0.01 . 2 . . . . 26 LYS HE2 . 16502 1 13 . 1 1 4 4 LYS HE3 H 1 3.20 0.01 . 2 . . . . 26 LYS HE3 . 16502 1 14 . 1 1 5 5 LEU H H 1 9.07 0.01 . 1 . . . . 27 LEU HN . 16502 1 15 . 1 1 5 5 LEU HA H 1 4.92 0.01 . 1 . . . . 27 LEU HA . 16502 1 16 . 1 1 5 5 LEU HB2 H 1 1.80 0.01 . 2 . . . . 27 LEU HB2 . 16502 1 17 . 1 1 5 5 LEU HD11 H 1 0.59 0.01 . 2 . . . . 27 LEU HD1 . 16502 1 18 . 1 1 5 5 LEU HD12 H 1 0.59 0.01 . 2 . . . . 27 LEU HD1 . 16502 1 19 . 1 1 5 5 LEU HD13 H 1 0.59 0.01 . 2 . . . . 27 LEU HD1 . 16502 1 20 . 1 1 5 5 LEU HD21 H 1 0.49 0.01 . 2 . . . . 27 LEU HD2 . 16502 1 21 . 1 1 5 5 LEU HD22 H 1 0.49 0.01 . 2 . . . . 27 LEU HD2 . 16502 1 22 . 1 1 5 5 LEU HD23 H 1 0.49 0.01 . 2 . . . . 27 LEU HD2 . 16502 1 23 . 1 1 5 5 LEU HG H 1 1.50 0.01 . 1 . . . . 27 LEU HG . 16502 1 24 . 1 1 6 6 LEU H H 1 10.39 0.01 . 1 . . . . 28 LEU HN . 16502 1 25 . 1 1 6 6 LEU HA H 1 4.99 0.01 . 1 . . . . 28 LEU HA . 16502 1 26 . 1 1 6 6 LEU HB2 H 1 1.60 0.01 . 2 . . . . 28 LEU HB2 . 16502 1 27 . 1 1 6 6 LEU HB3 H 1 1.34 0.01 . 2 . . . . 28 LEU HB3 . 16502 1 28 . 1 1 6 6 LEU HD11 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16502 1 29 . 1 1 6 6 LEU HD12 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16502 1 30 . 1 1 6 6 LEU HD13 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16502 1 31 . 1 1 6 6 LEU HD21 H 1 0.39 0.01 . 2 . . . . 28 LEU HD2 . 16502 1 32 . 1 1 6 6 LEU HD22 H 1 0.39 0.01 . 2 . . . . 28 LEU HD2 . 16502 1 33 . 1 1 6 6 LEU HD23 H 1 0.39 0.01 . 2 . . . . 28 LEU HD2 . 16502 1 34 . 1 1 6 6 LEU HG H 1 1.45 0.01 . 1 . . . . 28 LEU HG . 16502 1 35 . 1 1 7 7 TYR H H 1 8.63 0.01 . 1 . . . . 29 TYR HN . 16502 1 36 . 1 1 7 7 TYR HA H 1 4.58 0.01 . 1 . . . . 29 TYR HA . 16502 1 37 . 1 1 7 7 TYR HB2 H 1 3.40 0.01 . 2 . . . . 29 TYR HB2 . 16502 1 38 . 1 1 7 7 TYR HB3 H 1 2.92 0.01 . 2 . . . . 29 TYR HB3 . 16502 1 39 . 1 1 7 7 TYR HD1 H 1 6.43 0.01 . 3 . . . . 29 TYR HD1 . 16502 1 40 . 1 1 7 7 TYR HD2 H 1 6.43 0.01 . 3 . . . . 29 TYR HD2 . 16502 1 41 . 1 1 7 7 TYR HE1 H 1 6.49 0.01 . 3 . . . . 29 TYR HE1 . 16502 1 42 . 1 1 7 7 TYR HE2 H 1 6.49 0.01 . 3 . . . . 29 TYR HE2 . 16502 1 43 . 1 1 8 8 CYS H H 1 9.33 0.01 . 1 . . . . 30 CYS HN . 16502 1 44 . 1 1 8 8 CYS HA H 1 4.14 0.01 . 1 . . . . 30 CYS HA . 16502 1 45 . 1 1 8 8 CYS HB2 H 1 2.57 0.01 . 2 . . . . 30 CYS HB2 . 16502 1 46 . 1 1 8 8 CYS HB3 H 1 2.57 0.01 . 2 . . . . 30 CYS HB3 . 16502 1 47 . 1 1 9 9 SER H H 1 8.28 0.01 . 1 . . . . 31 SER HN . 16502 1 48 . 1 1 9 9 SER HA H 1 3.92 0.01 . 1 . . . . 31 SER HA . 16502 1 49 . 1 1 10 10 ASN H H 1 7.54 0.01 . 1 . . . . 32 ASN HN . 16502 1 50 . 1 1 10 10 ASN HA H 1 4.36 0.01 . 1 . . . . 32 ASN HA . 16502 1 51 . 1 1 10 10 ASN HB2 H 1 3.08 0.01 . 2 . . . . 32 ASN HB2 . 16502 1 52 . 1 1 10 10 ASN HB3 H 1 2.91 0.01 . 2 . . . . 32 ASN HB3 . 16502 1 53 . 1 1 11 11 GLY H H 1 8.47 0.01 . 1 . . . . 33 GLY HN . 16502 1 54 . 1 1 12 12 GLY H H 1 7.19 0.01 . 1 . . . . 34 GLY HN . 16502 1 55 . 1 1 12 12 GLY HA2 H 1 3.53 0.01 . 2 . . . . 34 GLY HA1 . 16502 1 56 . 1 1 12 12 GLY HA3 H 1 3.13 0.01 . 2 . . . . 34 GLY HA2 . 16502 1 57 . 1 1 13 13 HIS H H 1 6.31 0.01 . 1 . . . . 35 HIS HN . 16502 1 58 . 1 1 13 13 HIS HA H 1 4.02 0.01 . 1 . . . . 35 HIS HA . 16502 1 59 . 1 1 13 13 HIS HB2 H 1 2.61 0.01 . 2 . . . . 35 HIS HB2 . 16502 1 60 . 1 1 13 13 HIS HB3 H 1 2.44 0.01 . 2 . . . . 35 HIS HB3 . 16502 1 61 . 1 1 13 13 HIS HD1 H 1 6.46 0.01 . 1 . . . . 35 HIS HD1 . 16502 1 62 . 1 1 13 13 HIS HE2 H 1 7.67 0.01 . 1 . . . . 35 HIS HE2 . 16502 1 63 . 1 1 14 14 PHE H H 1 9.36 0.01 . 1 . . . . 36 PHE HN . 16502 1 64 . 1 1 14 14 PHE HA H 1 5.41 0.01 . 1 . . . . 36 PHE HA . 16502 1 65 . 1 1 14 14 PHE HB2 H 1 3.53 0.01 . 2 . . . . 36 PHE HB2 . 16502 1 66 . 1 1 14 14 PHE HB3 H 1 2.91 0.01 . 2 . . . . 36 PHE HB3 . 16502 1 67 . 1 1 14 14 PHE HD1 H 1 7.27 0.01 . 3 . . . . 36 PHE HD1 . 16502 1 68 . 1 1 14 14 PHE HD2 H 1 7.27 0.01 . 3 . . . . 36 PHE HD2 . 16502 1 69 . 1 1 14 14 PHE HE1 H 1 7.17 0.01 . 3 . . . . 36 PHE HE1 . 16502 1 70 . 1 1 14 14 PHE HE2 H 1 7.17 0.01 . 3 . . . . 36 PHE HE2 . 16502 1 71 . 1 1 15 15 LEU H H 1 8.55 0.01 . 1 . . . . 37 LEU HN . 16502 1 72 . 1 1 15 15 LEU HA H 1 4.32 0.01 . 1 . . . . 37 LEU HA . 16502 1 73 . 1 1 15 15 LEU HB2 H 1 1.88 0.01 . 2 . . . . 37 LEU HB2 . 16502 1 74 . 1 1 15 15 LEU HB3 H 1 1.33 0.01 . 2 . . . . 37 LEU HB3 . 16502 1 75 . 1 1 15 15 LEU HD11 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16502 1 76 . 1 1 15 15 LEU HD12 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16502 1 77 . 1 1 15 15 LEU HD13 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16502 1 78 . 1 1 15 15 LEU HD21 H 1 0.43 0.01 . 2 . . . . 37 LEU HD2 . 16502 1 79 . 1 1 15 15 LEU HD22 H 1 0.43 0.01 . 2 . . . . 37 LEU HD2 . 16502 1 80 . 1 1 15 15 LEU HD23 H 1 0.43 0.01 . 2 . . . . 37 LEU HD2 . 16502 1 81 . 1 1 15 15 LEU HG H 1 1.47 0.01 . 1 . . . . 37 LEU HG . 16502 1 82 . 1 1 16 16 ARG H H 1 9.46 0.01 . 1 . . . . 38 ARG HN . 16502 1 83 . 1 1 16 16 ARG HA H 1 4.68 0.01 . 1 . . . . 38 ARG HA . 16502 1 84 . 1 1 16 16 ARG HB2 H 1 2.58 0.01 . 2 . . . . 38 ARG HB2 . 16502 1 85 . 1 1 16 16 ARG HB3 H 1 2.58 0.01 . 2 . . . . 38 ARG HB3 . 16502 1 86 . 1 1 16 16 ARG HD2 H 1 3.36 0.01 . 2 . . . . 38 ARG HD2 . 16502 1 87 . 1 1 16 16 ARG HD3 H 1 2.75 0.01 . 2 . . . . 38 ARG HD3 . 16502 1 88 . 1 1 16 16 ARG HE H 1 9.78 0.01 . 1 . . . . 38 ARG HE . 16502 1 89 . 1 1 16 16 ARG HG2 H 1 1.35 0.01 . 2 . . . . 38 ARG HG2 . 16502 1 90 . 1 1 16 16 ARG HG3 H 1 1.24 0.01 . 2 . . . . 38 ARG HG3 . 16502 1 91 . 1 1 17 17 ILE H H 1 7.09 0.01 . 1 . . . . 39 ILE HN . 16502 1 92 . 1 1 17 17 ILE HA H 1 4.56 0.01 . 1 . . . . 39 ILE HA . 16502 1 93 . 1 1 17 17 ILE HB H 1 1.66 0.01 . 1 . . . . 39 ILE HB . 16502 1 94 . 1 1 17 17 ILE HG21 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16502 1 95 . 1 1 17 17 ILE HG22 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16502 1 96 . 1 1 17 17 ILE HG23 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16502 1 97 . 1 1 18 18 LEU H H 1 9.03 0.01 . 1 . . . . 40 LEU HN . 16502 1 98 . 1 1 18 18 LEU HA H 1 4.16 0.01 . 1 . . . . 40 LEU HA . 16502 1 99 . 1 1 18 18 LEU HB2 H 1 2.02 0.01 . 2 . . . . 40 LEU HB2 . 16502 1 100 . 1 1 18 18 LEU HB3 H 1 1.36 0.01 . 2 . . . . 40 LEU HB3 . 16502 1 101 . 1 1 18 18 LEU HD11 H 1 0.87 0.01 . 2 . . . . 40 LEU HD1 . 16502 1 102 . 1 1 18 18 LEU HD12 H 1 0.87 0.01 . 2 . . . . 40 LEU HD1 . 16502 1 103 . 1 1 18 18 LEU HD13 H 1 0.87 0.01 . 2 . . . . 40 LEU HD1 . 16502 1 104 . 1 1 18 18 LEU HD21 H 1 0.62 0.01 . 2 . . . . 40 LEU HD2 . 16502 1 105 . 1 1 18 18 LEU HD22 H 1 0.62 0.01 . 2 . . . . 40 LEU HD2 . 16502 1 106 . 1 1 18 18 LEU HD23 H 1 0.62 0.01 . 2 . . . . 40 LEU HD2 . 16502 1 107 . 1 1 19 19 PRO HA H 1 4.27 0.01 . 1 . . . . 41 PRO HA . 16502 1 108 . 1 1 19 19 PRO HD2 H 1 3.48 0.01 . 2 . . . . 41 PRO HD2 . 16502 1 109 . 1 1 19 19 PRO HD3 H 1 2.44 0.01 . 2 . . . . 41 PRO HD3 . 16502 1 110 . 1 1 20 20 ASP H H 1 7.51 0.01 . 1 . . . . 42 ASP HN . 16502 1 111 . 1 1 20 20 ASP HA H 1 4.51 0.01 . 1 . . . . 42 ASP HA . 16502 1 112 . 1 1 20 20 ASP HB2 H 1 3.08 0.01 . 2 . . . . 42 ASP HB2 . 16502 1 113 . 1 1 20 20 ASP HB3 H 1 2.59 0.01 . 2 . . . . 42 ASP HB3 . 16502 1 114 . 1 1 21 21 GLY H H 1 8.51 0.01 . 1 . . . . 43 GLY HN . 16502 1 115 . 1 1 22 22 THR H H 1 8.00 0.01 . 1 . . . . 44 THR HN . 16502 1 116 . 1 1 22 22 THR HA H 1 4.46 0.01 . 1 . . . . 44 THR HA . 16502 1 117 . 1 1 22 22 THR HB H 1 4.19 0.01 . 1 . . . . 44 THR HB . 16502 1 118 . 1 1 22 22 THR HG21 H 1 1.16 0.01 . 1 . . . . 44 THR HG2 . 16502 1 119 . 1 1 22 22 THR HG22 H 1 1.16 0.01 . 1 . . . . 44 THR HG2 . 16502 1 120 . 1 1 22 22 THR HG23 H 1 1.16 0.01 . 1 . . . . 44 THR HG2 . 16502 1 121 . 1 1 23 23 VAL H H 1 7.92 0.01 . 1 . . . . 45 VAL HN . 16502 1 122 . 1 1 23 23 VAL HA H 1 5.08 0.01 . 1 . . . . 45 VAL HA . 16502 1 123 . 1 1 23 23 VAL HB H 1 1.59 0.01 . 1 . . . . 45 VAL HB . 16502 1 124 . 1 1 23 23 VAL HG11 H 1 0.87 0.01 . 2 . . . . 45 VAL HG1 . 16502 1 125 . 1 1 23 23 VAL HG12 H 1 0.87 0.01 . 2 . . . . 45 VAL HG1 . 16502 1 126 . 1 1 23 23 VAL HG13 H 1 0.87 0.01 . 2 . . . . 45 VAL HG1 . 16502 1 127 . 1 1 23 23 VAL HG21 H 1 0.76 0.01 . 2 . . . . 45 VAL HG2 . 16502 1 128 . 1 1 23 23 VAL HG22 H 1 0.76 0.01 . 2 . . . . 45 VAL HG2 . 16502 1 129 . 1 1 23 23 VAL HG23 H 1 0.76 0.01 . 2 . . . . 45 VAL HG2 . 16502 1 130 . 1 1 24 24 ASP H H 1 9.04 0.01 . 1 . . . . 46 ASP HN . 16502 1 131 . 1 1 24 24 ASP HA H 1 4.30 0.01 . 1 . . . . 46 ASP HA . 16502 1 132 . 1 1 24 24 ASP HB2 H 1 3.00 0.01 . 2 . . . . 46 ASP HB2 . 16502 1 133 . 1 1 24 24 ASP HB3 H 1 2.71 0.01 . 2 . . . . 46 ASP HB3 . 16502 1 134 . 1 1 25 25 GLY H H 1 8.01 0.01 . 1 . . . . 47 GLY HN . 16502 1 135 . 1 1 25 25 GLY HA2 H 1 5.50 0.01 . 2 . . . . 47 GLY HA1 . 16502 1 136 . 1 1 25 25 GLY HA3 H 1 3.00 0.01 . 2 . . . . 47 GLY HA2 . 16502 1 137 . 1 1 26 26 THR H H 1 8.63 0.01 . 1 . . . . 48 THR HN . 16502 1 138 . 1 1 26 26 THR HA H 1 5.17 0.01 . 1 . . . . 48 THR HA . 16502 1 139 . 1 1 26 26 THR HB H 1 3.98 0.01 . 1 . . . . 48 THR HB . 16502 1 140 . 1 1 26 26 THR HG21 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16502 1 141 . 1 1 26 26 THR HG22 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16502 1 142 . 1 1 26 26 THR HG23 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16502 1 143 . 1 1 27 27 ARG H H 1 9.04 0.01 . 1 . . . . 49 ARG HN . 16502 1 144 . 1 1 27 27 ARG HA H 1 4.69 0.01 . 1 . . . . 49 ARG HA . 16502 1 145 . 1 1 27 27 ARG HB2 H 1 2.20 0.01 . 2 . . . . 49 ARG HB2 . 16502 1 146 . 1 1 27 27 ARG HB3 H 1 1.74 0.01 . 2 . . . . 49 ARG HB3 . 16502 1 147 . 1 1 28 28 ASP H H 1 8.44 0.01 . 1 . . . . 50 ASP HN . 16502 1 148 . 1 1 28 28 ASP HA H 1 4.62 0.01 . 1 . . . . 50 ASP HA . 16502 1 149 . 1 1 28 28 ASP HB2 H 1 3.21 0.01 . 2 . . . . 50 ASP HB2 . 16502 1 150 . 1 1 28 28 ASP HB3 H 1 2.65 0.01 . 2 . . . . 50 ASP HB3 . 16502 1 151 . 1 1 29 29 ARG H H 1 8.42 0.01 . 1 . . . . 51 ARG HN . 16502 1 152 . 1 1 29 29 ARG HA H 1 3.58 0.01 . 1 . . . . 51 ARG HA . 16502 1 153 . 1 1 29 29 ARG HB2 H 1 1.77 0.01 . 2 . . . . 51 ARG HB2 . 16502 1 154 . 1 1 29 29 ARG HB3 H 1 1.72 0.01 . 2 . . . . 51 ARG HB3 . 16502 1 155 . 1 1 29 29 ARG HD2 H 1 3.10 0.01 . 2 . . . . 51 ARG HD2 . 16502 1 156 . 1 1 29 29 ARG HD3 H 1 3.10 0.01 . 2 . . . . 51 ARG HD3 . 16502 1 157 . 1 1 29 29 ARG HE H 1 7.07 0.01 . 1 . . . . 51 ARG HE . 16502 1 158 . 1 1 30 30 SER H H 1 8.51 0.01 . 1 . . . . 52 SER HN . 16502 1 159 . 1 1 30 30 SER HA H 1 4.38 0.01 . 1 . . . . 52 SER HA . 16502 1 160 . 1 1 30 30 SER HB2 H 1 4.01 0.01 . 2 . . . . 52 SER HB2 . 16502 1 161 . 1 1 30 30 SER HB3 H 1 3.84 0.01 . 2 . . . . 52 SER HB3 . 16502 1 162 . 1 1 31 31 ASP H H 1 7.20 0.01 . 1 . . . . 53 ASP HN . 16502 1 163 . 1 1 31 31 ASP HA H 1 4.26 0.01 . 1 . . . . 53 ASP HA . 16502 1 164 . 1 1 31 31 ASP HB2 H 1 2.78 0.01 . 2 . . . . 53 ASP HB2 . 16502 1 165 . 1 1 31 31 ASP HB3 H 1 2.68 0.01 . 2 . . . . 53 ASP HB3 . 16502 1 166 . 1 1 32 32 GLN H H 1 8.97 0.01 . 1 . . . . 54 GLN HN . 16502 1 167 . 1 1 32 32 GLN HA H 1 4.00 0.01 . 1 . . . . 54 GLN HA . 16502 1 168 . 1 1 32 32 GLN HB2 H 1 1.75 0.01 . 2 . . . . 54 GLN HB2 . 16502 1 169 . 1 1 32 32 GLN HB3 H 1 1.50 0.01 . 2 . . . . 54 GLN HB3 . 16502 1 170 . 1 1 32 32 GLN HE21 H 1 7.42 0.01 . 2 . . . . 54 GLN HE21 . 16502 1 171 . 1 1 32 32 GLN HE22 H 1 6.77 0.01 . 2 . . . . 54 GLN HE22 . 16502 1 172 . 1 1 32 32 GLN HG2 H 1 2.06 0.01 . 2 . . . . 54 GLN HG2 . 16502 1 173 . 1 1 32 32 GLN HG3 H 1 2.06 0.01 . 2 . . . . 54 GLN HG3 . 16502 1 174 . 1 1 33 33 HIS H H 1 9.77 0.01 . 1 . . . . 55 HIS HN . 16502 1 175 . 1 1 33 33 HIS HB2 H 1 3.85 0.01 . 2 . . . . 55 HIS HB2 . 16502 1 176 . 1 1 33 33 HIS HB3 H 1 2.98 0.01 . 2 . . . . 55 HIS HB3 . 16502 1 177 . 1 1 33 33 HIS HD1 H 1 7.12 0.01 . 1 . . . . 55 HIS HD1 . 16502 1 178 . 1 1 33 33 HIS HE2 H 1 8.22 0.01 . 1 . . . . 55 HIS HE2 . 16502 1 179 . 1 1 34 34 ILE H H 1 6.80 0.01 . 1 . . . . 56 ILE HN . 16502 1 180 . 1 1 34 34 ILE HA H 1 5.15 0.01 . 1 . . . . 56 ILE HA . 16502 1 181 . 1 1 34 34 ILE HB H 1 2.41 0.01 . 1 . . . . 56 ILE HB . 16502 1 182 . 1 1 34 34 ILE HD11 H 1 0.57 0.01 . 1 . . . . 56 ILE HD1 . 16502 1 183 . 1 1 34 34 ILE HD12 H 1 0.57 0.01 . 1 . . . . 56 ILE HD1 . 16502 1 184 . 1 1 34 34 ILE HD13 H 1 0.57 0.01 . 1 . . . . 56 ILE HD1 . 16502 1 185 . 1 1 34 34 ILE HG12 H 1 1.64 0.01 . 2 . . . . 56 ILE HG12 . 16502 1 186 . 1 1 34 34 ILE HG21 H 1 0.81 0.01 . 1 . . . . 56 ILE HG2 . 16502 1 187 . 1 1 34 34 ILE HG22 H 1 0.81 0.01 . 1 . . . . 56 ILE HG2 . 16502 1 188 . 1 1 34 34 ILE HG23 H 1 0.81 0.01 . 1 . . . . 56 ILE HG2 . 16502 1 189 . 1 1 35 35 GLN H H 1 7.17 0.01 . 1 . . . . 57 GLN HN . 16502 1 190 . 1 1 35 35 GLN HA H 1 4.23 0.01 . 1 . . . . 57 GLN HA . 16502 1 191 . 1 1 36 36 LEU H H 1 9.25 0.01 . 1 . . . . 58 LEU HN . 16502 1 192 . 1 1 36 36 LEU HA H 1 5.33 0.01 . 1 . . . . 58 LEU HA . 16502 1 193 . 1 1 36 36 LEU HB2 H 1 1.59 0.01 . 2 . . . . 58 LEU HB2 . 16502 1 194 . 1 1 36 36 LEU HB3 H 1 1.04 0.01 . 2 . . . . 58 LEU HB3 . 16502 1 195 . 1 1 36 36 LEU HD11 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16502 1 196 . 1 1 36 36 LEU HD12 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16502 1 197 . 1 1 36 36 LEU HD13 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16502 1 198 . 1 1 36 36 LEU HD21 H 1 0.58 0.01 . 2 . . . . 58 LEU HD2 . 16502 1 199 . 1 1 36 36 LEU HD22 H 1 0.58 0.01 . 2 . . . . 58 LEU HD2 . 16502 1 200 . 1 1 36 36 LEU HD23 H 1 0.58 0.01 . 2 . . . . 58 LEU HD2 . 16502 1 201 . 1 1 36 36 LEU HG H 1 1.94 0.01 . 1 . . . . 58 LEU HG . 16502 1 202 . 1 1 37 37 GLN H H 1 9.59 0.01 . 1 . . . . 59 GLN HN . 16502 1 203 . 1 1 37 37 GLN HA H 1 4.65 0.01 . 1 . . . . 59 GLN HA . 16502 1 204 . 1 1 37 37 GLN HB2 H 1 1.89 0.01 . 2 . . . . 59 GLN HB2 . 16502 1 205 . 1 1 37 37 GLN HB3 H 1 1.74 0.01 . 2 . . . . 59 GLN HB3 . 16502 1 206 . 1 1 37 37 GLN HE21 H 1 7.45 0.01 . 2 . . . . 59 GLN HE21 . 16502 1 207 . 1 1 37 37 GLN HE22 H 1 6.81 0.01 . 2 . . . . 59 GLN HE22 . 16502 1 208 . 1 1 37 37 GLN HG2 H 1 2.15 0.01 . 2 . . . . 59 GLN HG2 . 16502 1 209 . 1 1 37 37 GLN HG3 H 1 2.15 0.01 . 2 . . . . 59 GLN HG3 . 16502 1 210 . 1 1 38 38 LEU H H 1 8.74 0.01 . 1 . . . . 60 LEU HN . 16502 1 211 . 1 1 38 38 LEU HA H 1 5.45 0.01 . 1 . . . . 60 LEU HA . 16502 1 212 . 1 1 38 38 LEU HB2 H 1 1.65 0.01 . 2 . . . . 60 LEU HB2 . 16502 1 213 . 1 1 38 38 LEU HB3 H 1 1.59 0.01 . 2 . . . . 60 LEU HB3 . 16502 1 214 . 1 1 38 38 LEU HD11 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16502 1 215 . 1 1 38 38 LEU HD12 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16502 1 216 . 1 1 38 38 LEU HD13 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16502 1 217 . 1 1 38 38 LEU HD21 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16502 1 218 . 1 1 38 38 LEU HD22 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16502 1 219 . 1 1 38 38 LEU HD23 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16502 1 220 . 1 1 38 38 LEU HG H 1 1.65 0.01 . 1 . . . . 60 LEU HG . 16502 1 221 . 1 1 39 39 SER H H 1 8.87 0.01 . 1 . . . . 61 SER HN . 16502 1 222 . 1 1 39 39 SER HA H 1 4.80 0.01 . 1 . . . . 61 SER HA . 16502 1 223 . 1 1 39 39 SER HB2 H 1 3.94 0.01 . 2 . . . . 61 SER HB2 . 16502 1 224 . 1 1 39 39 SER HB3 H 1 3.86 0.01 . 2 . . . . 61 SER HB3 . 16502 1 225 . 1 1 40 40 ALA H H 1 8.67 0.01 . 1 . . . . 62 ALA HN . 16502 1 226 . 1 1 40 40 ALA HA H 1 5.09 0.01 . 1 . . . . 62 ALA HA . 16502 1 227 . 1 1 40 40 ALA HB1 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16502 1 228 . 1 1 40 40 ALA HB2 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16502 1 229 . 1 1 40 40 ALA HB3 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16502 1 230 . 1 1 41 41 GLU H H 1 8.58 0.01 . 1 . . . . 63 GLU HN . 16502 1 231 . 1 1 41 41 GLU HA H 1 4.45 0.01 . 1 . . . . 63 GLU HA . 16502 1 232 . 1 1 41 41 GLU HB2 H 1 2.04 0.01 . 2 . . . . 63 GLU HB2 . 16502 1 233 . 1 1 41 41 GLU HB3 H 1 1.80 0.01 . 2 . . . . 63 GLU HB3 . 16502 1 234 . 1 1 41 41 GLU HG2 H 1 2.23 0.01 . 2 . . . . 63 GLU HG2 . 16502 1 235 . 1 1 41 41 GLU HG3 H 1 2.05 0.01 . 2 . . . . 63 GLU HG3 . 16502 1 236 . 1 1 42 42 SER H H 1 8.14 0.01 . 1 . . . . 64 SER HN . 16502 1 237 . 1 1 42 42 SER HA H 1 4.52 0.01 . 1 . . . . 64 SER HA . 16502 1 238 . 1 1 42 42 SER HB2 H 1 3.81 0.01 . 2 . . . . 64 SER HB2 . 16502 1 239 . 1 1 42 42 SER HB3 H 1 3.70 0.01 . 2 . . . . 64 SER HB3 . 16502 1 240 . 1 1 43 43 VAL H H 1 8.20 0.01 . 1 . . . . 65 VAL HN . 16502 1 241 . 1 1 43 43 VAL HA H 1 3.84 0.01 . 1 . . . . 65 VAL HA . 16502 1 242 . 1 1 43 43 VAL HB H 1 2.03 0.01 . 1 . . . . 65 VAL HB . 16502 1 243 . 1 1 43 43 VAL HG11 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16502 1 244 . 1 1 43 43 VAL HG12 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16502 1 245 . 1 1 43 43 VAL HG13 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16502 1 246 . 1 1 43 43 VAL HG21 H 1 0.97 0.01 . 2 . . . . 65 VAL HG2 . 16502 1 247 . 1 1 43 43 VAL HG22 H 1 0.97 0.01 . 2 . . . . 65 VAL HG2 . 16502 1 248 . 1 1 43 43 VAL HG23 H 1 0.97 0.01 . 2 . . . . 65 VAL HG2 . 16502 1 249 . 1 1 44 44 GLY H H 1 8.89 0.01 . 1 . . . . 66 GLY HN . 16502 1 250 . 1 1 44 44 GLY HA2 H 1 4.30 0.01 . 2 . . . . 66 GLY HA1 . 16502 1 251 . 1 1 44 44 GLY HA3 H 1 3.97 0.01 . 2 . . . . 66 GLY HA2 . 16502 1 252 . 1 1 45 45 GLU H H 1 8.12 0.01 . 1 . . . . 67 GLU HN . 16502 1 253 . 1 1 45 45 GLU HA H 1 5.44 0.01 . 1 . . . . 67 GLU HA . 16502 1 254 . 1 1 45 45 GLU HB2 H 1 1.88 0.01 . 2 . . . . 67 GLU HB2 . 16502 1 255 . 1 1 45 45 GLU HB3 H 1 1.82 0.01 . 2 . . . . 67 GLU HB3 . 16502 1 256 . 1 1 45 45 GLU HG2 H 1 2.09 0.01 . 2 . . . . 67 GLU HG2 . 16502 1 257 . 1 1 45 45 GLU HG3 H 1 2.01 0.01 . 2 . . . . 67 GLU HG3 . 16502 1 258 . 1 1 46 46 VAL H H 1 9.66 0.01 . 1 . . . . 68 VAL HN . 16502 1 259 . 1 1 46 46 VAL HA H 1 5.48 0.01 . 1 . . . . 68 VAL HA . 16502 1 260 . 1 1 46 46 VAL HB H 1 2.26 0.01 . 1 . . . . 68 VAL HB . 16502 1 261 . 1 1 46 46 VAL HG11 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16502 1 262 . 1 1 46 46 VAL HG12 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16502 1 263 . 1 1 46 46 VAL HG13 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16502 1 264 . 1 1 46 46 VAL HG21 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16502 1 265 . 1 1 46 46 VAL HG22 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16502 1 266 . 1 1 46 46 VAL HG23 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16502 1 267 . 1 1 47 47 TYR H H 1 8.51 0.01 . 1 . . . . 69 TYR HN . 16502 1 268 . 1 1 47 47 TYR HA H 1 5.31 0.01 . 1 . . . . 69 TYR HA . 16502 1 269 . 1 1 47 47 TYR HB2 H 1 3.26 0.01 . 2 . . . . 69 TYR HB2 . 16502 1 270 . 1 1 47 47 TYR HB3 H 1 3.02 0.01 . 2 . . . . 69 TYR HB3 . 16502 1 271 . 1 1 47 47 TYR HD1 H 1 7.20 0.01 . 3 . . . . 69 TYR HD1 . 16502 1 272 . 1 1 47 47 TYR HD2 H 1 7.20 0.01 . 3 . . . . 69 TYR HD2 . 16502 1 273 . 1 1 47 47 TYR HE1 H 1 6.58 0.01 . 3 . . . . 69 TYR HE1 . 16502 1 274 . 1 1 47 47 TYR HE2 H 1 6.58 0.01 . 3 . . . . 69 TYR HE2 . 16502 1 275 . 1 1 48 48 ILE H H 1 10.65 0.01 . 1 . . . . 70 ILE HN . 16502 1 276 . 1 1 48 48 ILE HA H 1 4.40 0.01 . 1 . . . . 70 ILE HA . 16502 1 277 . 1 1 48 48 ILE HB H 1 1.62 0.01 . 1 . . . . 70 ILE HB . 16502 1 278 . 1 1 48 48 ILE HD11 H 1 -0.20 0.01 . 1 . . . . 70 ILE HD1 . 16502 1 279 . 1 1 48 48 ILE HD12 H 1 -0.20 0.01 . 1 . . . . 70 ILE HD1 . 16502 1 280 . 1 1 48 48 ILE HD13 H 1 -0.20 0.01 . 1 . . . . 70 ILE HD1 . 16502 1 281 . 1 1 48 48 ILE HG12 H 1 1.39 0.01 . 2 . . . . 70 ILE HG12 . 16502 1 282 . 1 1 48 48 ILE HG13 H 1 0.54 0.01 . 2 . . . . 70 ILE HG13 . 16502 1 283 . 1 1 48 48 ILE HG21 H 1 0.49 0.01 . 1 . . . . 70 ILE HG2 . 16502 1 284 . 1 1 48 48 ILE HG22 H 1 0.49 0.01 . 1 . . . . 70 ILE HG2 . 16502 1 285 . 1 1 48 48 ILE HG23 H 1 0.49 0.01 . 1 . . . . 70 ILE HG2 . 16502 1 286 . 1 1 49 49 LYS H H 1 8.65 0.01 . 1 . . . . 71 LYS HN . 16502 1 287 . 1 1 49 49 LYS HA H 1 4.99 0.01 . 1 . . . . 71 LYS HA . 16502 1 288 . 1 1 49 49 LYS HB2 H 1 1.29 0.01 . 2 . . . . 71 LYS HB2 . 16502 1 289 . 1 1 49 49 LYS HB3 H 1 1.10 0.01 . 2 . . . . 71 LYS HB3 . 16502 1 290 . 1 1 49 49 LYS HD2 H 1 1.19 0.01 . 2 . . . . 71 LYS HD2 . 16502 1 291 . 1 1 49 49 LYS HD3 H 1 1.19 0.01 . 2 . . . . 71 LYS HD3 . 16502 1 292 . 1 1 49 49 LYS HE2 H 1 2.62 0.01 . 2 . . . . 71 LYS HE2 . 16502 1 293 . 1 1 49 49 LYS HE3 H 1 2.50 0.01 . 2 . . . . 71 LYS HE3 . 16502 1 294 . 1 1 49 49 LYS HG2 H 1 0.64 0.01 . 2 . . . . 71 LYS HG2 . 16502 1 295 . 1 1 49 49 LYS HG3 H 1 0.30 0.01 . 2 . . . . 71 LYS HG3 . 16502 1 296 . 1 1 50 50 SER H H 1 9.03 0.01 . 1 . . . . 72 SER HN . 16502 1 297 . 1 1 50 50 SER HA H 1 4.67 0.01 . 1 . . . . 72 SER HA . 16502 1 298 . 1 1 50 50 SER HB2 H 1 3.88 0.01 . 2 . . . . 72 SER HB2 . 16502 1 299 . 1 1 50 50 SER HB3 H 1 3.11 0.01 . 2 . . . . 72 SER HB3 . 16502 1 300 . 1 1 51 51 THR H H 1 8.52 0.01 . 1 . . . . 73 THR HN . 16502 1 301 . 1 1 51 51 THR HA H 1 3.99 0.01 . 1 . . . . 73 THR HA . 16502 1 302 . 1 1 51 51 THR HB H 1 4.17 0.01 . 1 . . . . 73 THR HB . 16502 1 303 . 1 1 51 51 THR HG21 H 1 1.16 0.01 . 1 . . . . 73 THR HG2 . 16502 1 304 . 1 1 51 51 THR HG22 H 1 1.16 0.01 . 1 . . . . 73 THR HG2 . 16502 1 305 . 1 1 51 51 THR HG23 H 1 1.16 0.01 . 1 . . . . 73 THR HG2 . 16502 1 306 . 1 1 52 52 GLU H H 1 8.47 0.01 . 1 . . . . 74 GLU HN . 16502 1 307 . 1 1 52 52 GLU HA H 1 4.33 0.01 . 1 . . . . 74 GLU HA . 16502 1 308 . 1 1 52 52 GLU HB2 H 1 1.85 0.01 . 2 . . . . 74 GLU HB2 . 16502 1 309 . 1 1 52 52 GLU HB3 H 1 1.85 0.01 . 2 . . . . 74 GLU HB3 . 16502 1 310 . 1 1 53 53 THR H H 1 7.83 0.01 . 1 . . . . 75 THR HN . 16502 1 311 . 1 1 53 53 THR HA H 1 4.69 0.01 . 1 . . . . 75 THR HA . 16502 1 312 . 1 1 53 53 THR HB H 1 4.53 0.01 . 1 . . . . 75 THR HB . 16502 1 313 . 1 1 53 53 THR HG21 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16502 1 314 . 1 1 53 53 THR HG22 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16502 1 315 . 1 1 53 53 THR HG23 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16502 1 316 . 1 1 54 54 GLY H H 1 7.74 0.01 . 1 . . . . 76 GLY HN . 16502 1 317 . 1 1 54 54 GLY HA2 H 1 4.14 0.01 . 2 . . . . 76 GLY HA1 . 16502 1 318 . 1 1 54 54 GLY HA3 H 1 3.59 0.01 . 2 . . . . 76 GLY HA2 . 16502 1 319 . 1 1 55 55 GLN H H 1 7.29 0.01 . 1 . . . . 77 GLN HN . 16502 1 320 . 1 1 55 55 GLN HA H 1 4.30 0.01 . 1 . . . . 77 GLN HA . 16502 1 321 . 1 1 56 56 TYR H H 1 9.39 0.01 . 1 . . . . 78 TYR HN . 16502 1 322 . 1 1 56 56 TYR HA H 1 4.80 0.01 . 1 . . . . 78 TYR HA . 16502 1 323 . 1 1 56 56 TYR HB3 H 1 2.83 0.01 . 2 . . . . 78 TYR HB3 . 16502 1 324 . 1 1 56 56 TYR HD1 H 1 7.10 0.01 . 3 . . . . 78 TYR HD1 . 16502 1 325 . 1 1 56 56 TYR HD2 H 1 7.10 0.01 . 3 . . . . 78 TYR HD2 . 16502 1 326 . 1 1 56 56 TYR HE1 H 1 6.50 0.01 . 3 . . . . 78 TYR HE1 . 16502 1 327 . 1 1 56 56 TYR HE2 H 1 6.50 0.01 . 3 . . . . 78 TYR HE2 . 16502 1 328 . 1 1 57 57 LEU H H 1 9.24 0.01 . 1 . . . . 79 LEU HN . 16502 1 329 . 1 1 57 57 LEU HA H 1 4.12 0.01 . 1 . . . . 79 LEU HA . 16502 1 330 . 1 1 57 57 LEU HB2 H 1 1.97 0.01 . 2 . . . . 79 LEU HB2 . 16502 1 331 . 1 1 57 57 LEU HB3 H 1 1.06 0.01 . 2 . . . . 79 LEU HB3 . 16502 1 332 . 1 1 57 57 LEU HD11 H 1 0.90 0.01 . 2 . . . . 79 LEU HD1 . 16502 1 333 . 1 1 57 57 LEU HD12 H 1 0.90 0.01 . 2 . . . . 79 LEU HD1 . 16502 1 334 . 1 1 57 57 LEU HD13 H 1 0.90 0.01 . 2 . . . . 79 LEU HD1 . 16502 1 335 . 1 1 57 57 LEU HD21 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16502 1 336 . 1 1 57 57 LEU HD22 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16502 1 337 . 1 1 57 57 LEU HD23 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16502 1 338 . 1 1 57 57 LEU HG H 1 1.64 0.01 . 1 . . . . 79 LEU HG . 16502 1 339 . 1 1 58 58 ALA H H 1 8.77 0.01 . 1 . . . . 80 ALA HN . 16502 1 340 . 1 1 58 58 ALA HA H 1 5.12 0.01 . 1 . . . . 80 ALA HA . 16502 1 341 . 1 1 58 58 ALA HB1 H 1 0.60 0.01 . 1 . . . . 80 ALA HB . 16502 1 342 . 1 1 58 58 ALA HB2 H 1 0.60 0.01 . 1 . . . . 80 ALA HB . 16502 1 343 . 1 1 58 58 ALA HB3 H 1 0.60 0.01 . 1 . . . . 80 ALA HB . 16502 1 344 . 1 1 59 59 MET H H 1 7.62 0.01 . 1 . . . . 81 MET HN . 16502 1 345 . 1 1 59 59 MET HA H 1 5.51 0.01 . 1 . . . . 81 MET HA . 16502 1 346 . 1 1 59 59 MET HB2 H 1 2.33 0.01 . 2 . . . . 81 MET HB2 . 16502 1 347 . 1 1 59 59 MET HB3 H 1 2.33 0.01 . 2 . . . . 81 MET HB3 . 16502 1 348 . 1 1 59 59 MET HG3 H 1 2.20 0.01 . 2 . . . . 81 MET HG3 . 16502 1 349 . 1 1 60 60 ASP H H 1 9.25 0.01 . 1 . . . . 82 ASP HN . 16502 1 350 . 1 1 60 60 ASP HA H 1 5.04 0.01 . 1 . . . . 82 ASP HA . 16502 1 351 . 1 1 60 60 ASP HB2 H 1 3.57 0.01 . 2 . . . . 82 ASP HB2 . 16502 1 352 . 1 1 60 60 ASP HB3 H 1 2.86 0.01 . 2 . . . . 82 ASP HB3 . 16502 1 353 . 1 1 61 61 THR H H 1 8.06 0.01 . 1 . . . . 83 THR HN . 16502 1 354 . 1 1 61 61 THR HA H 1 4.15 0.01 . 1 . . . . 83 THR HA . 16502 1 355 . 1 1 61 61 THR HB H 1 4.52 0.01 . 1 . . . . 83 THR HB . 16502 1 356 . 1 1 61 61 THR HG21 H 1 1.46 0.01 . 1 . . . . 83 THR HG2 . 16502 1 357 . 1 1 61 61 THR HG22 H 1 1.46 0.01 . 1 . . . . 83 THR HG2 . 16502 1 358 . 1 1 61 61 THR HG23 H 1 1.46 0.01 . 1 . . . . 83 THR HG2 . 16502 1 359 . 1 1 62 62 ASP H H 1 8.48 0.01 . 1 . . . . 84 ASP HN . 16502 1 360 . 1 1 62 62 ASP HA H 1 4.96 0.01 . 1 . . . . 84 ASP HA . 16502 1 361 . 1 1 62 62 ASP HB2 H 1 2.74 0.01 . 2 . . . . 84 ASP HB2 . 16502 1 362 . 1 1 62 62 ASP HB3 H 1 2.74 0.01 . 2 . . . . 84 ASP HB3 . 16502 1 363 . 1 1 63 63 GLY H H 1 8.37 0.01 . 1 . . . . 85 GLY HN . 16502 1 364 . 1 1 63 63 GLY HA2 H 1 3.62 0.01 . 2 . . . . 85 GLY HA1 . 16502 1 365 . 1 1 63 63 GLY HA3 H 1 3.34 0.01 . 2 . . . . 85 GLY HA2 . 16502 1 366 . 1 1 64 64 LEU H H 1 8.74 0.01 . 1 . . . . 86 LEU HN . 16502 1 367 . 1 1 64 64 LEU HA H 1 4.51 0.01 . 1 . . . . 86 LEU HA . 16502 1 368 . 1 1 64 64 LEU HB2 H 1 2.10 0.01 . 2 . . . . 86 LEU HB2 . 16502 1 369 . 1 1 64 64 LEU HB3 H 1 1.47 0.01 . 2 . . . . 86 LEU HB3 . 16502 1 370 . 1 1 64 64 LEU HD11 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16502 1 371 . 1 1 64 64 LEU HD12 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16502 1 372 . 1 1 64 64 LEU HD13 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16502 1 373 . 1 1 64 64 LEU HD21 H 1 0.92 0.01 . 2 . . . . 86 LEU HD2 . 16502 1 374 . 1 1 64 64 LEU HD22 H 1 0.92 0.01 . 2 . . . . 86 LEU HD2 . 16502 1 375 . 1 1 64 64 LEU HD23 H 1 0.92 0.01 . 2 . . . . 86 LEU HD2 . 16502 1 376 . 1 1 64 64 LEU HG H 1 1.67 0.01 . 1 . . . . 86 LEU HG . 16502 1 377 . 1 1 65 65 LEU H H 1 7.55 0.01 . 1 . . . . 87 LEU HN . 16502 1 378 . 1 1 65 65 LEU HA H 1 5.71 0.01 . 1 . . . . 87 LEU HA . 16502 1 379 . 1 1 65 65 LEU HB2 H 1 1.95 0.01 . 2 . . . . 87 LEU HB2 . 16502 1 380 . 1 1 65 65 LEU HB3 H 1 1.49 0.01 . 2 . . . . 87 LEU HB3 . 16502 1 381 . 1 1 65 65 LEU HD11 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16502 1 382 . 1 1 65 65 LEU HD12 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16502 1 383 . 1 1 65 65 LEU HD13 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16502 1 384 . 1 1 65 65 LEU HD21 H 1 1.03 0.01 . 2 . . . . 87 LEU HD2 . 16502 1 385 . 1 1 65 65 LEU HD22 H 1 1.03 0.01 . 2 . . . . 87 LEU HD2 . 16502 1 386 . 1 1 65 65 LEU HD23 H 1 1.03 0.01 . 2 . . . . 87 LEU HD2 . 16502 1 387 . 1 1 65 65 LEU HG H 1 2.22 0.01 . 1 . . . . 87 LEU HG . 16502 1 388 . 1 1 66 66 TYR H H 1 9.36 0.01 . 1 . . . . 88 TYR HN . 16502 1 389 . 1 1 66 66 TYR HA H 1 5.01 0.01 . 1 . . . . 88 TYR HA . 16502 1 390 . 1 1 66 66 TYR HB2 H 1 3.12 0.01 . 2 . . . . 88 TYR HB2 . 16502 1 391 . 1 1 66 66 TYR HB3 H 1 3.07 0.01 . 2 . . . . 88 TYR HB3 . 16502 1 392 . 1 1 66 66 TYR HD1 H 1 7.14 0.01 . 3 . . . . 88 TYR HD1 . 16502 1 393 . 1 1 66 66 TYR HD2 H 1 7.14 0.01 . 3 . . . . 88 TYR HD2 . 16502 1 394 . 1 1 66 66 TYR HE1 H 1 6.57 0.01 . 3 . . . . 88 TYR HE1 . 16502 1 395 . 1 1 66 66 TYR HE2 H 1 6.57 0.01 . 3 . . . . 88 TYR HE2 . 16502 1 396 . 1 1 67 67 GLY H H 1 8.45 0.01 . 1 . . . . 89 GLY HN . 16502 1 397 . 1 1 67 67 GLY HA2 H 1 4.68 0.01 . 2 . . . . 89 GLY HA1 . 16502 1 398 . 1 1 68 68 SER H H 1 9.71 0.01 . 1 . . . . 90 SER HN . 16502 1 399 . 1 1 68 68 SER HA H 1 4.97 0.01 . 1 . . . . 90 SER HA . 16502 1 400 . 1 1 68 68 SER HB2 H 1 3.89 0.01 . 2 . . . . 90 SER HB2 . 16502 1 401 . 1 1 68 68 SER HB3 H 1 3.54 0.01 . 2 . . . . 90 SER HB3 . 16502 1 402 . 1 1 69 69 GLN H H 1 9.44 0.01 . 1 . . . . 91 GLN HN . 16502 1 403 . 1 1 69 69 GLN HA H 1 4.27 0.01 . 1 . . . . 91 GLN HA . 16502 1 404 . 1 1 69 69 GLN HB2 H 1 2.32 0.01 . 2 . . . . 91 GLN HB2 . 16502 1 405 . 1 1 69 69 GLN HB3 H 1 2.20 0.01 . 2 . . . . 91 GLN HB3 . 16502 1 406 . 1 1 69 69 GLN HE21 H 1 7.61 0.01 . 2 . . . . 91 GLN HE21 . 16502 1 407 . 1 1 69 69 GLN HE22 H 1 6.98 0.01 . 2 . . . . 91 GLN HE22 . 16502 1 408 . 1 1 69 69 GLN HG2 H 1 2.64 0.01 . 2 . . . . 91 GLN HG2 . 16502 1 409 . 1 1 69 69 GLN HG3 H 1 2.54 0.01 . 2 . . . . 91 GLN HG3 . 16502 1 410 . 1 1 70 70 THR H H 1 7.64 0.01 . 1 . . . . 92 THR HN . 16502 1 411 . 1 1 70 70 THR HA H 1 4.86 0.01 . 1 . . . . 92 THR HA . 16502 1 412 . 1 1 70 70 THR HB H 1 4.11 0.01 . 1 . . . . 92 THR HB . 16502 1 413 . 1 1 70 70 THR HG21 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16502 1 414 . 1 1 70 70 THR HG22 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16502 1 415 . 1 1 70 70 THR HG23 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16502 1 416 . 1 1 71 71 PRO HA H 1 4.14 0.01 . 1 . . . . 93 PRO HA . 16502 1 417 . 1 1 71 71 PRO HB2 H 1 0.32 0.01 . 2 . . . . 93 PRO HB2 . 16502 1 418 . 1 1 71 71 PRO HB3 H 1 1.84 0.01 . 2 . . . . 93 PRO HB3 . 16502 1 419 . 1 1 71 71 PRO HD2 H 1 3.65 0.01 . 2 . . . . 93 PRO HD2 . 16502 1 420 . 1 1 71 71 PRO HD3 H 1 3.44 0.01 . 2 . . . . 93 PRO HD3 . 16502 1 421 . 1 1 71 71 PRO HG3 H 1 1.46 0.01 . 2 . . . . 93 PRO HG3 . 16502 1 422 . 1 1 72 72 ASN H H 1 7.44 0.01 . 1 . . . . 94 ASN HN . 16502 1 423 . 1 1 72 72 ASN HB2 H 1 3.20 0.01 . 2 . . . . 94 ASN HB2 . 16502 1 424 . 1 1 72 72 ASN HB3 H 1 2.99 0.01 . 2 . . . . 94 ASN HB3 . 16502 1 425 . 1 1 73 73 GLU H H 1 9.03 0.01 . 1 . . . . 95 GLU HN . 16502 1 426 . 1 1 73 73 GLU HA H 1 4.15 0.01 . 1 . . . . 95 GLU HA . 16502 1 427 . 1 1 73 73 GLU HB2 H 1 2.25 0.01 . 2 . . . . 95 GLU HB2 . 16502 1 428 . 1 1 73 73 GLU HB3 H 1 2.12 0.01 . 2 . . . . 95 GLU HB3 . 16502 1 429 . 1 1 73 73 GLU HG2 H 1 2.37 0.01 . 2 . . . . 95 GLU HG2 . 16502 1 430 . 1 1 73 73 GLU HG3 H 1 2.37 0.01 . 2 . . . . 95 GLU HG3 . 16502 1 431 . 1 1 74 74 GLU H H 1 8.70 0.01 . 1 . . . . 96 GLU HN . 16502 1 432 . 1 1 74 74 GLU HA H 1 4.19 0.01 . 1 . . . . 96 GLU HA . 16502 1 433 . 1 1 74 74 GLU HB2 H 1 2.52 0.01 . 2 . . . . 96 GLU HB2 . 16502 1 434 . 1 1 74 74 GLU HB3 H 1 2.47 0.01 . 2 . . . . 96 GLU HB3 . 16502 1 435 . 1 1 74 74 GLU HG2 H 1 2.62 0.01 . 2 . . . . 96 GLU HG2 . 16502 1 436 . 1 1 74 74 GLU HG3 H 1 2.29 0.01 . 2 . . . . 96 GLU HG3 . 16502 1 437 . 1 1 75 75 CYS H H 1 7.83 0.01 . 1 . . . . 97 CYS HN . 16502 1 438 . 1 1 75 75 CYS HA H 1 5.43 0.01 . 1 . . . . 97 CYS HA . 16502 1 439 . 1 1 75 75 CYS HB2 H 1 3.68 0.01 . 2 . . . . 97 CYS HB2 . 16502 1 440 . 1 1 75 75 CYS HB3 H 1 3.30 0.01 . 2 . . . . 97 CYS HB3 . 16502 1 441 . 1 1 76 76 LEU H H 1 6.35 0.01 . 1 . . . . 98 LEU HN . 16502 1 442 . 1 1 76 76 LEU HA H 1 4.56 0.01 . 1 . . . . 98 LEU HA . 16502 1 443 . 1 1 76 76 LEU HB2 H 1 1.43 0.01 . 2 . . . . 98 LEU HB2 . 16502 1 444 . 1 1 76 76 LEU HB3 H 1 1.16 0.01 . 2 . . . . 98 LEU HB3 . 16502 1 445 . 1 1 76 76 LEU HD11 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16502 1 446 . 1 1 76 76 LEU HD12 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16502 1 447 . 1 1 76 76 LEU HD13 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16502 1 448 . 1 1 76 76 LEU HD21 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16502 1 449 . 1 1 76 76 LEU HD22 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16502 1 450 . 1 1 76 76 LEU HD23 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16502 1 451 . 1 1 76 76 LEU HG H 1 1.27 0.01 . 1 . . . . 98 LEU HG . 16502 1 452 . 1 1 77 77 PHE H H 1 9.14 0.01 . 1 . . . . 99 PHE HN . 16502 1 453 . 1 1 77 77 PHE HA H 1 5.15 0.01 . 1 . . . . 99 PHE HA . 16502 1 454 . 1 1 77 77 PHE HB2 H 1 2.92 0.01 . 2 . . . . 99 PHE HB2 . 16502 1 455 . 1 1 77 77 PHE HB3 H 1 2.79 0.01 . 2 . . . . 99 PHE HB3 . 16502 1 456 . 1 1 77 77 PHE HD1 H 1 7.05 0.01 . 3 . . . . 99 PHE HD1 . 16502 1 457 . 1 1 77 77 PHE HD2 H 1 7.05 0.01 . 3 . . . . 99 PHE HD2 . 16502 1 458 . 1 1 77 77 PHE HE1 H 1 7.16 0.01 . 3 . . . . 99 PHE HE1 . 16502 1 459 . 1 1 77 77 PHE HE2 H 1 7.16 0.01 . 3 . . . . 99 PHE HE2 . 16502 1 460 . 1 1 77 77 PHE HZ H 1 6.79 0.01 . 1 . . . . 99 PHE HZ . 16502 1 461 . 1 1 78 78 LEU H H 1 10.07 0.01 . 1 . . . . 100 LEU HN . 16502 1 462 . 1 1 78 78 LEU HA H 1 5.18 0.01 . 1 . . . . 100 LEU HA . 16502 1 463 . 1 1 78 78 LEU HB2 H 1 1.87 0.01 . 2 . . . . 100 LEU HB2 . 16502 1 464 . 1 1 78 78 LEU HB3 H 1 1.87 0.01 . 2 . . . . 100 LEU HB3 . 16502 1 465 . 1 1 78 78 LEU HD11 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16502 1 466 . 1 1 78 78 LEU HD12 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16502 1 467 . 1 1 78 78 LEU HD13 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16502 1 468 . 1 1 78 78 LEU HD21 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16502 1 469 . 1 1 78 78 LEU HD22 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16502 1 470 . 1 1 78 78 LEU HD23 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16502 1 471 . 1 1 78 78 LEU HG H 1 1.49 0.01 . 1 . . . . 100 LEU HG . 16502 1 472 . 1 1 79 79 GLU H H 1 8.29 0.01 . 1 . . . . 101 GLU HN . 16502 1 473 . 1 1 79 79 GLU HA H 1 4.78 0.01 . 1 . . . . 101 GLU HA . 16502 1 474 . 1 1 79 79 GLU HB2 H 1 2.02 0.01 . 2 . . . . 101 GLU HB2 . 16502 1 475 . 1 1 79 79 GLU HB3 H 1 1.78 0.01 . 2 . . . . 101 GLU HB3 . 16502 1 476 . 1 1 79 79 GLU HG2 H 1 1.86 0.01 . 2 . . . . 101 GLU HG2 . 16502 1 477 . 1 1 79 79 GLU HG3 H 1 1.86 0.01 . 2 . . . . 101 GLU HG3 . 16502 1 478 . 1 1 80 80 ARG H H 1 8.95 0.01 . 1 . . . . 102 ARG HN . 16502 1 479 . 1 1 80 80 ARG HA H 1 4.71 0.01 . 1 . . . . 102 ARG HA . 16502 1 480 . 1 1 80 80 ARG HD2 H 1 3.22 0.01 . 2 . . . . 102 ARG HD2 . 16502 1 481 . 1 1 80 80 ARG HD3 H 1 3.22 0.01 . 2 . . . . 102 ARG HD3 . 16502 1 482 . 1 1 80 80 ARG HG2 H 1 1.55 0.01 . 2 . . . . 102 ARG HG2 . 16502 1 483 . 1 1 80 80 ARG HG3 H 1 1.46 0.01 . 2 . . . . 102 ARG HG3 . 16502 1 484 . 1 1 81 81 LEU H H 1 8.48 0.01 . 1 . . . . 103 LEU HN . 16502 1 485 . 1 1 81 81 LEU HB3 H 1 1.53 0.01 . 2 . . . . 103 LEU HB3 . 16502 1 486 . 1 1 81 81 LEU HD11 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16502 1 487 . 1 1 81 81 LEU HD12 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16502 1 488 . 1 1 81 81 LEU HD13 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16502 1 489 . 1 1 81 81 LEU HD21 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16502 1 490 . 1 1 81 81 LEU HD22 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16502 1 491 . 1 1 81 81 LEU HD23 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16502 1 492 . 1 1 81 81 LEU HG H 1 1.73 0.01 . 1 . . . . 103 LEU HG . 16502 1 493 . 1 1 82 82 GLU H H 1 9.17 0.01 . 1 . . . . 104 GLU HN . 16502 1 494 . 1 1 82 82 GLU HB2 H 1 2.28 0.01 . 2 . . . . 104 GLU HB2 . 16502 1 495 . 1 1 82 82 GLU HB3 H 1 2.03 0.01 . 2 . . . . 104 GLU HB3 . 16502 1 496 . 1 1 82 82 GLU HG2 H 1 2.37 0.01 . 2 . . . . 104 GLU HG2 . 16502 1 497 . 1 1 82 82 GLU HG3 H 1 2.37 0.01 . 2 . . . . 104 GLU HG3 . 16502 1 498 . 1 1 83 83 GLU H H 1 8.87 0.01 . 1 . . . . 105 GLU HN . 16502 1 499 . 1 1 83 83 GLU HA H 1 4.11 0.01 . 1 . . . . 105 GLU HA . 16502 1 500 . 1 1 83 83 GLU HB2 H 1 2.12 0.01 . 2 . . . . 105 GLU HB2 . 16502 1 501 . 1 1 83 83 GLU HB3 H 1 2.07 0.01 . 2 . . . . 105 GLU HB3 . 16502 1 502 . 1 1 84 84 ASN H H 1 7.69 0.01 . 1 . . . . 106 ASN HN . 16502 1 503 . 1 1 84 84 ASN HA H 1 4.33 0.01 . 1 . . . . 106 ASN HA . 16502 1 504 . 1 1 84 84 ASN HB2 H 1 3.08 0.01 . 2 . . . . 106 ASN HB2 . 16502 1 505 . 1 1 84 84 ASN HB3 H 1 3.00 0.01 . 2 . . . . 106 ASN HB3 . 16502 1 506 . 1 1 85 85 HIS H H 1 8.20 0.01 . 1 . . . . 107 HIS HN . 16502 1 507 . 1 1 85 85 HIS HA H 1 4.23 0.01 . 1 . . . . 107 HIS HA . 16502 1 508 . 1 1 85 85 HIS HB2 H 1 3.46 0.01 . 2 . . . . 107 HIS HB2 . 16502 1 509 . 1 1 85 85 HIS HB3 H 1 3.28 0.01 . 2 . . . . 107 HIS HB3 . 16502 1 510 . 1 1 85 85 HIS HD2 H 1 7.05 0.01 . 1 . . . . 107 HIS HD2 . 16502 1 511 . 1 1 86 86 TYR H H 1 7.66 0.01 . 1 . . . . 108 TYR HN . 16502 1 512 . 1 1 86 86 TYR HA H 1 4.83 0.01 . 1 . . . . 108 TYR HA . 16502 1 513 . 1 1 86 86 TYR HB2 H 1 2.96 0.01 . 2 . . . . 108 TYR HB2 . 16502 1 514 . 1 1 86 86 TYR HB3 H 1 2.96 0.01 . 2 . . . . 108 TYR HB3 . 16502 1 515 . 1 1 86 86 TYR HD1 H 1 7.07 0.01 . 3 . . . . 108 TYR HD1 . 16502 1 516 . 1 1 86 86 TYR HD2 H 1 7.07 0.01 . 3 . . . . 108 TYR HD2 . 16502 1 517 . 1 1 86 86 TYR HE1 H 1 6.84 0.01 . 3 . . . . 108 TYR HE1 . 16502 1 518 . 1 1 86 86 TYR HE2 H 1 6.84 0.01 . 3 . . . . 108 TYR HE2 . 16502 1 519 . 1 1 87 87 ASN H H 1 9.95 0.01 . 1 . . . . 109 ASN HN . 16502 1 520 . 1 1 87 87 ASN HA H 1 5.85 0.01 . 1 . . . . 109 ASN HA . 16502 1 521 . 1 1 87 87 ASN HB2 H 1 2.66 0.01 . 2 . . . . 109 ASN HB2 . 16502 1 522 . 1 1 87 87 ASN HB3 H 1 2.45 0.01 . 2 . . . . 109 ASN HB3 . 16502 1 523 . 1 1 88 88 THR H H 1 8.52 0.01 . 1 . . . . 110 THR HN . 16502 1 524 . 1 1 88 88 THR HA H 1 5.11 0.01 . 1 . . . . 110 THR HA . 16502 1 525 . 1 1 88 88 THR HB H 1 4.59 0.01 . 1 . . . . 110 THR HB . 16502 1 526 . 1 1 88 88 THR HG21 H 1 1.31 0.01 . 1 . . . . 110 THR HG2 . 16502 1 527 . 1 1 88 88 THR HG22 H 1 1.31 0.01 . 1 . . . . 110 THR HG2 . 16502 1 528 . 1 1 88 88 THR HG23 H 1 1.31 0.01 . 1 . . . . 110 THR HG2 . 16502 1 529 . 1 1 89 89 TYR H H 1 10.38 0.01 . 1 . . . . 111 TYR HN . 16502 1 530 . 1 1 89 89 TYR HA H 1 5.44 0.01 . 1 . . . . 111 TYR HA . 16502 1 531 . 1 1 89 89 TYR HB2 H 1 2.49 0.01 . 2 . . . . 111 TYR HB2 . 16502 1 532 . 1 1 89 89 TYR HB3 H 1 2.49 0.01 . 2 . . . . 111 TYR HB3 . 16502 1 533 . 1 1 89 89 TYR HD1 H 1 6.66 0.01 . 3 . . . . 111 TYR HD1 . 16502 1 534 . 1 1 89 89 TYR HD2 H 1 6.66 0.01 . 3 . . . . 111 TYR HD2 . 16502 1 535 . 1 1 89 89 TYR HE1 H 1 6.52 0.01 . 3 . . . . 111 TYR HE1 . 16502 1 536 . 1 1 89 89 TYR HE2 H 1 6.52 0.01 . 3 . . . . 111 TYR HE2 . 16502 1 537 . 1 1 90 90 ILE H H 1 8.84 0.01 . 1 . . . . 112 ILE HN . 16502 1 538 . 1 1 90 90 ILE HA H 1 4.62 0.01 . 1 . . . . 112 ILE HA . 16502 1 539 . 1 1 90 90 ILE HB H 1 1.50 0.01 . 1 . . . . 112 ILE HB . 16502 1 540 . 1 1 90 90 ILE HD11 H 1 0.56 0.01 . 1 . . . . 112 ILE HD1 . 16502 1 541 . 1 1 90 90 ILE HD12 H 1 0.56 0.01 . 1 . . . . 112 ILE HD1 . 16502 1 542 . 1 1 90 90 ILE HD13 H 1 0.56 0.01 . 1 . . . . 112 ILE HD1 . 16502 1 543 . 1 1 90 90 ILE HG12 H 1 1.32 0.01 . 2 . . . . 112 ILE HG12 . 16502 1 544 . 1 1 90 90 ILE HG13 H 1 0.03 0.01 . 2 . . . . 112 ILE HG13 . 16502 1 545 . 1 1 90 90 ILE HG21 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16502 1 546 . 1 1 90 90 ILE HG22 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16502 1 547 . 1 1 90 90 ILE HG23 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16502 1 548 . 1 1 91 91 SER H H 1 8.34 0.01 . 1 . . . . 113 SER HN . 16502 1 549 . 1 1 91 91 SER HB2 H 1 4.00 0.01 . 2 . . . . 113 SER HB2 . 16502 1 550 . 1 1 92 92 LYS H H 1 8.10 0.01 . 1 . . . . 114 LYS HN . 16502 1 551 . 1 1 92 92 LYS HA H 1 3.77 0.01 . 1 . . . . 114 LYS HA . 16502 1 552 . 1 1 92 92 LYS HB2 H 1 1.75 0.01 . 2 . . . . 114 LYS HB2 . 16502 1 553 . 1 1 92 92 LYS HB3 H 1 1.75 0.01 . 2 . . . . 114 LYS HB3 . 16502 1 554 . 1 1 92 92 LYS HE2 H 1 2.84 0.01 . 2 . . . . 114 LYS HE2 . 16502 1 555 . 1 1 92 92 LYS HE3 H 1 2.84 0.01 . 2 . . . . 114 LYS HE3 . 16502 1 556 . 1 1 92 92 LYS HG2 H 1 1.21 0.01 . 2 . . . . 114 LYS HG2 . 16502 1 557 . 1 1 92 92 LYS HG3 H 1 1.21 0.01 . 2 . . . . 114 LYS HG3 . 16502 1 558 . 1 1 93 93 LYS H H 1 8.75 0.01 . 1 . . . . 115 LYS HN . 16502 1 559 . 1 1 93 93 LYS HA H 1 3.82 0.01 . 1 . . . . 115 LYS HA . 16502 1 560 . 1 1 93 93 LYS HB2 H 1 1.32 0.01 . 2 . . . . 115 LYS HB2 . 16502 1 561 . 1 1 93 93 LYS HD2 H 1 1.60 0.01 . 2 . . . . 115 LYS HD2 . 16502 1 562 . 1 1 93 93 LYS HD3 H 1 1.41 0.01 . 2 . . . . 115 LYS HD3 . 16502 1 563 . 1 1 93 93 LYS HE2 H 1 2.91 0.01 . 2 . . . . 115 LYS HE2 . 16502 1 564 . 1 1 93 93 LYS HE3 H 1 2.84 0.01 . 2 . . . . 115 LYS HE3 . 16502 1 565 . 1 1 93 93 LYS HG2 H 1 0.95 0.01 . 2 . . . . 115 LYS HG2 . 16502 1 566 . 1 1 93 93 LYS HG3 H 1 0.55 0.01 . 2 . . . . 115 LYS HG3 . 16502 1 567 . 1 1 94 94 HIS H H 1 7.40 0.01 . 1 . . . . 116 HIS HN . 16502 1 568 . 1 1 94 94 HIS HA H 1 4.57 0.01 . 1 . . . . 116 HIS HA . 16502 1 569 . 1 1 94 94 HIS HD2 H 1 7.89 0.01 . 1 . . . . 116 HIS HD2 . 16502 1 570 . 1 1 94 94 HIS HE1 H 1 7.04 0.01 . 1 . . . . 116 HIS HE1 . 16502 1 571 . 1 1 95 95 ALA H H 1 7.22 0.01 . 1 . . . . 117 ALA HN . 16502 1 572 . 1 1 95 95 ALA HA H 1 3.80 0.01 . 1 . . . . 117 ALA HA . 16502 1 573 . 1 1 95 95 ALA HB1 H 1 1.44 0.01 . 1 . . . . 117 ALA HB . 16502 1 574 . 1 1 95 95 ALA HB2 H 1 1.44 0.01 . 1 . . . . 117 ALA HB . 16502 1 575 . 1 1 95 95 ALA HB3 H 1 1.44 0.01 . 1 . . . . 117 ALA HB . 16502 1 576 . 1 1 96 96 GLU H H 1 8.94 0.01 . 1 . . . . 118 GLU HN . 16502 1 577 . 1 1 96 96 GLU HA H 1 4.05 0.01 . 1 . . . . 118 GLU HA . 16502 1 578 . 1 1 96 96 GLU HB2 H 1 1.96 0.01 . 2 . . . . 118 GLU HB2 . 16502 1 579 . 1 1 96 96 GLU HB3 H 1 1.96 0.01 . 2 . . . . 118 GLU HB3 . 16502 1 580 . 1 1 96 96 GLU HG2 H 1 2.29 0.01 . 2 . . . . 118 GLU HG2 . 16502 1 581 . 1 1 96 96 GLU HG3 H 1 2.16 0.01 . 2 . . . . 118 GLU HG3 . 16502 1 582 . 1 1 97 97 LYS H H 1 7.31 0.01 . 1 . . . . 119 LYS HN . 16502 1 583 . 1 1 97 97 LYS HA H 1 4.21 0.01 . 1 . . . . 119 LYS HA . 16502 1 584 . 1 1 97 97 LYS HB2 H 1 1.14 0.01 . 2 . . . . 119 LYS HB2 . 16502 1 585 . 1 1 97 97 LYS HD2 H 1 1.35 0.01 . 2 . . . . 119 LYS HD2 . 16502 1 586 . 1 1 97 97 LYS HD3 H 1 1.35 0.01 . 2 . . . . 119 LYS HD3 . 16502 1 587 . 1 1 97 97 LYS HE2 H 1 2.55 0.01 . 2 . . . . 119 LYS HE2 . 16502 1 588 . 1 1 97 97 LYS HG2 H 1 0.95 0.01 . 2 . . . . 119 LYS HG2 . 16502 1 589 . 1 1 97 97 LYS HG3 H 1 0.95 0.01 . 2 . . . . 119 LYS HG3 . 16502 1 590 . 1 1 98 98 ASN H H 1 7.95 0.01 . 1 . . . . 120 ASN HN . 16502 1 591 . 1 1 98 98 ASN HA H 1 3.76 0.01 . 1 . . . . 120 ASN HA . 16502 1 592 . 1 1 98 98 ASN HB2 H 1 2.99 0.01 . 2 . . . . 120 ASN HB2 . 16502 1 593 . 1 1 98 98 ASN HB3 H 1 2.85 0.01 . 2 . . . . 120 ASN HB3 . 16502 1 594 . 1 1 98 98 ASN HD21 H 1 7.43 0.01 . 2 . . . . 120 ASN HD21 . 16502 1 595 . 1 1 98 98 ASN HD22 H 1 6.73 0.01 . 2 . . . . 120 ASN HD22 . 16502 1 596 . 1 1 99 99 TRP H H 1 6.43 0.01 . 1 . . . . 121 TRP HN . 16502 1 597 . 1 1 99 99 TRP HA H 1 4.85 0.01 . 1 . . . . 121 TRP HA . 16502 1 598 . 1 1 99 99 TRP HB2 H 1 3.14 0.01 . 2 . . . . 121 TRP HB2 . 16502 1 599 . 1 1 99 99 TRP HB3 H 1 2.91 0.01 . 2 . . . . 121 TRP HB3 . 16502 1 600 . 1 1 99 99 TRP HD1 H 1 6.84 0.01 . 1 . . . . 121 TRP HD1 . 16502 1 601 . 1 1 99 99 TRP HE1 H 1 10.39 0.01 . 1 . . . . 121 TRP HE1 . 16502 1 602 . 1 1 99 99 TRP HE3 H 1 7.35 0.01 . 1 . . . . 121 TRP HE3 . 16502 1 603 . 1 1 99 99 TRP HH2 H 1 7.08 0.01 . 1 . . . . 121 TRP HH2 . 16502 1 604 . 1 1 99 99 TRP HZ2 H 1 7.40 0.01 . 1 . . . . 121 TRP HZ2 . 16502 1 605 . 1 1 99 99 TRP HZ3 H 1 6.21 0.01 . 1 . . . . 121 TRP HZ3 . 16502 1 606 . 1 1 100 100 PHE H H 1 8.16 0.01 . 1 . . . . 122 PHE HN . 16502 1 607 . 1 1 100 100 PHE HA H 1 5.37 0.01 . 1 . . . . 122 PHE HA . 16502 1 608 . 1 1 100 100 PHE HB2 H 1 3.44 0.01 . 2 . . . . 122 PHE HB2 . 16502 1 609 . 1 1 100 100 PHE HB3 H 1 2.71 0.01 . 2 . . . . 122 PHE HB3 . 16502 1 610 . 1 1 100 100 PHE HD1 H 1 7.48 0.01 . 3 . . . . 122 PHE HD1 . 16502 1 611 . 1 1 100 100 PHE HD2 H 1 7.48 0.01 . 3 . . . . 122 PHE HD2 . 16502 1 612 . 1 1 100 100 PHE HE1 H 1 7.24 0.01 . 3 . . . . 122 PHE HE1 . 16502 1 613 . 1 1 100 100 PHE HE2 H 1 7.24 0.01 . 3 . . . . 122 PHE HE2 . 16502 1 614 . 1 1 100 100 PHE HZ H 1 6.96 0.01 . 1 . . . . 122 PHE HZ . 16502 1 615 . 1 1 101 101 VAL H H 1 8.60 0.01 . 1 . . . . 123 VAL HN . 16502 1 616 . 1 1 101 101 VAL HA H 1 3.93 0.01 . 1 . . . . 123 VAL HA . 16502 1 617 . 1 1 101 101 VAL HB H 1 2.05 0.01 . 1 . . . . 123 VAL HB . 16502 1 618 . 1 1 101 101 VAL HG11 H 1 0.53 0.01 . 2 . . . . 123 VAL HG1 . 16502 1 619 . 1 1 101 101 VAL HG12 H 1 0.53 0.01 . 2 . . . . 123 VAL HG1 . 16502 1 620 . 1 1 101 101 VAL HG13 H 1 0.53 0.01 . 2 . . . . 123 VAL HG1 . 16502 1 621 . 1 1 101 101 VAL HG21 H 1 0.50 0.01 . 2 . . . . 123 VAL HG2 . 16502 1 622 . 1 1 101 101 VAL HG22 H 1 0.50 0.01 . 2 . . . . 123 VAL HG2 . 16502 1 623 . 1 1 101 101 VAL HG23 H 1 0.50 0.01 . 2 . . . . 123 VAL HG2 . 16502 1 624 . 1 1 102 102 GLY H H 1 9.11 0.01 . 1 . . . . 124 GLY HN . 16502 1 625 . 1 1 102 102 GLY HA2 H 1 5.29 0.01 . 2 . . . . 124 GLY HA1 . 16502 1 626 . 1 1 102 102 GLY HA3 H 1 3.21 0.01 . 2 . . . . 124 GLY HA2 . 16502 1 627 . 1 1 103 103 LEU H H 1 8.24 0.01 . 1 . . . . 125 LEU HN . 16502 1 628 . 1 1 103 103 LEU HA H 1 5.01 0.01 . 1 . . . . 125 LEU HA . 16502 1 629 . 1 1 103 103 LEU HB2 H 1 2.23 0.01 . 2 . . . . 125 LEU HB2 . 16502 1 630 . 1 1 103 103 LEU HD11 H 1 0.64 0.01 . 2 . . . . 125 LEU HD1 . 16502 1 631 . 1 1 103 103 LEU HD12 H 1 0.64 0.01 . 2 . . . . 125 LEU HD1 . 16502 1 632 . 1 1 103 103 LEU HD13 H 1 0.64 0.01 . 2 . . . . 125 LEU HD1 . 16502 1 633 . 1 1 103 103 LEU HG H 1 1.61 0.01 . 1 . . . . 125 LEU HG . 16502 1 634 . 1 1 104 104 LYS H H 1 9.02 0.01 . 1 . . . . 126 LYS HN . 16502 1 635 . 1 1 104 104 LYS HA H 1 4.33 0.01 . 1 . . . . 126 LYS HA . 16502 1 636 . 1 1 104 104 LYS HB2 H 1 1.67 0.01 . 2 . . . . 126 LYS HB2 . 16502 1 637 . 1 1 104 104 LYS HB3 H 1 1.67 0.01 . 2 . . . . 126 LYS HB3 . 16502 1 638 . 1 1 105 105 LYS H H 1 8.02 0.01 . 1 . . . . 127 LYS HN . 16502 1 639 . 1 1 105 105 LYS HA H 1 3.50 0.01 . 1 . . . . 127 LYS HA . 16502 1 640 . 1 1 105 105 LYS HB2 H 1 1.31 0.01 . 2 . . . . 127 LYS HB2 . 16502 1 641 . 1 1 105 105 LYS HD2 H 1 1.75 0.01 . 2 . . . . 127 LYS HD2 . 16502 1 642 . 1 1 105 105 LYS HE2 H 1 3.04 0.01 . 2 . . . . 127 LYS HE2 . 16502 1 643 . 1 1 105 105 LYS HE3 H 1 3.04 0.01 . 2 . . . . 127 LYS HE3 . 16502 1 644 . 1 1 105 105 LYS HG2 H 1 1.53 0.01 . 2 . . . . 127 LYS HG2 . 16502 1 645 . 1 1 105 105 LYS HG3 H 1 0.94 0.01 . 2 . . . . 127 LYS HG3 . 16502 1 646 . 1 1 105 105 LYS HZ1 H 1 6.42 0.01 . 1 . . . . 127 LYS HZ1 . 16502 1 647 . 1 1 105 105 LYS HZ2 H 1 6.42 0.01 . 1 . . . . 127 LYS HZ2 . 16502 1 648 . 1 1 105 105 LYS HZ3 H 1 6.42 0.01 . 1 . . . . 127 LYS HZ3 . 16502 1 649 . 1 1 106 106 ASN H H 1 7.55 0.01 . 1 . . . . 128 ASN HN . 16502 1 650 . 1 1 106 106 ASN HA H 1 4.67 0.01 . 1 . . . . 128 ASN HA . 16502 1 651 . 1 1 106 106 ASN HB3 H 1 2.87 0.01 . 2 . . . . 128 ASN HB3 . 16502 1 652 . 1 1 106 106 ASN HD21 H 1 7.58 0.01 . 2 . . . . 128 ASN HD21 . 16502 1 653 . 1 1 106 106 ASN HD22 H 1 6.88 0.01 . 2 . . . . 128 ASN HD22 . 16502 1 654 . 1 1 107 107 GLY H H 1 7.72 0.01 . 1 . . . . 129 GLY HN . 16502 1 655 . 1 1 107 107 GLY HA2 H 1 3.34 0.01 . 2 . . . . 129 GLY HA1 . 16502 1 656 . 1 1 107 107 GLY HA3 H 1 2.09 0.01 . 2 . . . . 129 GLY HA2 . 16502 1 657 . 1 1 108 108 SER H H 1 7.43 0.01 . 1 . . . . 130 SER HN . 16502 1 658 . 1 1 108 108 SER HB2 H 1 3.93 0.01 . 2 . . . . 130 SER HB2 . 16502 1 659 . 1 1 108 108 SER HB3 H 1 3.93 0.01 . 2 . . . . 130 SER HB3 . 16502 1 660 . 1 1 109 109 CYS H H 1 9.20 0.01 . 1 . . . . 131 CYS HN . 16502 1 661 . 1 1 109 109 CYS HA H 1 4.42 0.01 . 1 . . . . 131 CYS HA . 16502 1 662 . 1 1 109 109 CYS HB2 H 1 3.13 0.01 . 2 . . . . 131 CYS HB2 . 16502 1 663 . 1 1 110 110 LYS H H 1 8.24 0.01 . 1 . . . . 132 LYS HN . 16502 1 664 . 1 1 111 111 ARG H H 1 8.66 0.01 . 1 . . . . 133 ARG HN . 16502 1 665 . 1 1 111 111 ARG HA H 1 4.26 0.01 . 1 . . . . 133 ARG HA . 16502 1 666 . 1 1 112 112 GLY H H 1 9.48 0.01 . 1 . . . . 134 GLY HN . 16502 1 667 . 1 1 112 112 GLY HA2 H 1 3.87 0.01 . 2 . . . . 134 GLY HA1 . 16502 1 668 . 1 1 112 112 GLY HA3 H 1 3.18 0.01 . 2 . . . . 134 GLY HA2 . 16502 1 669 . 1 1 113 113 PRO HA H 1 4.32 0.01 . 1 . . . . 135 PRO HA . 16502 1 670 . 1 1 114 114 ARG H H 1 8.13 0.01 . 1 . . . . 136 ARG HN . 16502 1 671 . 1 1 114 114 ARG HA H 1 4.50 0.01 . 1 . . . . 136 ARG HA . 16502 1 672 . 1 1 114 114 ARG HB2 H 1 2.14 0.01 . 2 . . . . 136 ARG HB2 . 16502 1 673 . 1 1 115 115 THR H H 1 7.82 0.01 . 1 . . . . 137 THR HN . 16502 1 674 . 1 1 115 115 THR HA H 1 5.14 0.01 . 1 . . . . 137 THR HA . 16502 1 675 . 1 1 115 115 THR HB H 1 4.11 0.01 . 1 . . . . 137 THR HB . 16502 1 676 . 1 1 115 115 THR HG1 H 1 6.29 0.01 . 1 . . . . 137 THR HG1 . 16502 1 677 . 1 1 115 115 THR HG21 H 1 1.15 0.01 . 1 . . . . 137 THR HG2 . 16502 1 678 . 1 1 115 115 THR HG22 H 1 1.15 0.01 . 1 . . . . 137 THR HG2 . 16502 1 679 . 1 1 115 115 THR HG23 H 1 1.15 0.01 . 1 . . . . 137 THR HG2 . 16502 1 680 . 1 1 116 116 HIS H H 1 7.12 0.01 . 1 . . . . 138 HIS HN . 16502 1 681 . 1 1 116 116 HIS HB2 H 1 3.32 0.01 . 2 . . . . 138 HIS HB2 . 16502 1 682 . 1 1 116 116 HIS HB3 H 1 3.23 0.01 . 2 . . . . 138 HIS HB3 . 16502 1 683 . 1 1 116 116 HIS HD2 H 1 7.32 0.01 . 1 . . . . 138 HIS HD2 . 16502 1 684 . 1 1 116 116 HIS HE1 H 1 8.53 0.01 . 1 . . . . 138 HIS HE1 . 16502 1 685 . 1 1 117 117 TYR H H 1 9.08 0.01 . 1 . . . . 139 TYR HN . 16502 1 686 . 1 1 117 117 TYR HA H 1 3.90 0.01 . 1 . . . . 139 TYR HA . 16502 1 687 . 1 1 117 117 TYR HB2 H 1 3.09 0.01 . 2 . . . . 139 TYR HB2 . 16502 1 688 . 1 1 117 117 TYR HB3 H 1 2.91 0.01 . 2 . . . . 139 TYR HB3 . 16502 1 689 . 1 1 117 117 TYR HD1 H 1 7.10 0.01 . 3 . . . . 139 TYR HD1 . 16502 1 690 . 1 1 117 117 TYR HD2 H 1 7.10 0.01 . 3 . . . . 139 TYR HD2 . 16502 1 691 . 1 1 117 117 TYR HE1 H 1 6.91 0.01 . 3 . . . . 139 TYR HE1 . 16502 1 692 . 1 1 117 117 TYR HE2 H 1 6.91 0.01 . 3 . . . . 139 TYR HE2 . 16502 1 693 . 1 1 118 118 GLY H H 1 8.06 0.01 . 1 . . . . 140 GLY HN . 16502 1 694 . 1 1 118 118 GLY HA2 H 1 4.34 0.01 . 2 . . . . 140 GLY HA1 . 16502 1 695 . 1 1 118 118 GLY HA3 H 1 3.29 0.01 . 2 . . . . 140 GLY HA2 . 16502 1 696 . 1 1 119 119 GLN H H 1 7.10 0.01 . 1 . . . . 141 GLN HN . 16502 1 697 . 1 1 119 119 GLN HA H 1 4.22 0.01 . 1 . . . . 141 GLN HA . 16502 1 698 . 1 1 120 120 LYS H H 1 8.35 0.01 . 1 . . . . 142 LYS HN . 16502 1 699 . 1 1 120 120 LYS HA H 1 3.81 0.01 . 1 . . . . 142 LYS HA . 16502 1 700 . 1 1 120 120 LYS HB2 H 1 1.53 0.01 . 2 . . . . 142 LYS HB2 . 16502 1 701 . 1 1 120 120 LYS HD2 H 1 1.54 0.01 . 2 . . . . 142 LYS HD2 . 16502 1 702 . 1 1 120 120 LYS HD3 H 1 1.54 0.01 . 2 . . . . 142 LYS HD3 . 16502 1 703 . 1 1 120 120 LYS HE2 H 1 2.91 0.01 . 2 . . . . 142 LYS HE2 . 16502 1 704 . 1 1 120 120 LYS HE3 H 1 2.91 0.01 . 2 . . . . 142 LYS HE3 . 16502 1 705 . 1 1 120 120 LYS HG2 H 1 1.29 0.01 . 2 . . . . 142 LYS HG2 . 16502 1 706 . 1 1 120 120 LYS HG3 H 1 1.29 0.01 . 2 . . . . 142 LYS HG3 . 16502 1 707 . 1 1 121 121 ALA H H 1 7.74 0.01 . 1 . . . . 143 ALA HN . 16502 1 708 . 1 1 121 121 ALA HA H 1 3.95 0.01 . 1 . . . . 143 ALA HA . 16502 1 709 . 1 1 121 121 ALA HB1 H 1 1.28 0.01 . 1 . . . . 143 ALA HB . 16502 1 710 . 1 1 121 121 ALA HB2 H 1 1.28 0.01 . 1 . . . . 143 ALA HB . 16502 1 711 . 1 1 121 121 ALA HB3 H 1 1.28 0.01 . 1 . . . . 143 ALA HB . 16502 1 712 . 1 1 122 122 ILE H H 1 5.98 0.01 . 1 . . . . 144 ILE HN . 16502 1 713 . 1 1 122 122 ILE HA H 1 5.21 0.01 . 1 . . . . 144 ILE HA . 16502 1 714 . 1 1 122 122 ILE HB H 1 2.17 0.01 . 1 . . . . 144 ILE HB . 16502 1 715 . 1 1 122 122 ILE HG12 H 1 1.12 0.01 . 2 . . . . 144 ILE HG12 . 16502 1 716 . 1 1 122 122 ILE HG13 H 1 0.86 0.01 . 2 . . . . 144 ILE HG13 . 16502 1 717 . 1 1 122 122 ILE HG21 H 1 0.65 0.01 . 1 . . . . 144 ILE HG2 . 16502 1 718 . 1 1 122 122 ILE HG22 H 1 0.65 0.01 . 1 . . . . 144 ILE HG2 . 16502 1 719 . 1 1 122 122 ILE HG23 H 1 0.65 0.01 . 1 . . . . 144 ILE HG2 . 16502 1 720 . 1 1 123 123 LEU H H 1 6.87 0.01 . 1 . . . . 145 LEU HN . 16502 1 721 . 1 1 123 123 LEU HA H 1 4.62 0.01 . 1 . . . . 145 LEU HA . 16502 1 722 . 1 1 123 123 LEU HB2 H 1 1.54 0.01 . 2 . . . . 145 LEU HB2 . 16502 1 723 . 1 1 123 123 LEU HB3 H 1 1.54 0.01 . 2 . . . . 145 LEU HB3 . 16502 1 724 . 1 1 123 123 LEU HD21 H 1 0.44 0.01 . 2 . . . . 145 LEU HD2 . 16502 1 725 . 1 1 123 123 LEU HD22 H 1 0.44 0.01 . 2 . . . . 145 LEU HD2 . 16502 1 726 . 1 1 123 123 LEU HD23 H 1 0.44 0.01 . 2 . . . . 145 LEU HD2 . 16502 1 727 . 1 1 124 124 PHE H H 1 9.36 0.01 . 1 . . . . 146 PHE HN . 16502 1 728 . 1 1 124 124 PHE HA H 1 5.63 0.01 . 1 . . . . 146 PHE HA . 16502 1 729 . 1 1 124 124 PHE HB2 H 1 3.15 0.01 . 2 . . . . 146 PHE HB2 . 16502 1 730 . 1 1 124 124 PHE HB3 H 1 2.79 0.01 . 2 . . . . 146 PHE HB3 . 16502 1 731 . 1 1 124 124 PHE HD1 H 1 7.20 0.01 . 3 . . . . 146 PHE HD1 . 16502 1 732 . 1 1 124 124 PHE HD2 H 1 7.20 0.01 . 3 . . . . 146 PHE HD2 . 16502 1 733 . 1 1 124 124 PHE HE1 H 1 7.32 0.01 . 3 . . . . 146 PHE HE1 . 16502 1 734 . 1 1 124 124 PHE HE2 H 1 7.32 0.01 . 3 . . . . 146 PHE HE2 . 16502 1 735 . 1 1 124 124 PHE HZ H 1 6.90 0.01 . 1 . . . . 146 PHE HZ . 16502 1 736 . 1 1 125 125 LEU H H 1 10.05 0.01 . 1 . . . . 147 LEU HN . 16502 1 737 . 1 1 125 125 LEU HA H 1 5.23 0.01 . 1 . . . . 147 LEU HA . 16502 1 738 . 1 1 125 125 LEU HB2 H 1 1.93 0.01 . 2 . . . . 147 LEU HB2 . 16502 1 739 . 1 1 125 125 LEU HB3 H 1 1.37 0.01 . 2 . . . . 147 LEU HB3 . 16502 1 740 . 1 1 125 125 LEU HD11 H 1 0.75 0.01 . 2 . . . . 147 LEU HD1 . 16502 1 741 . 1 1 125 125 LEU HD12 H 1 0.75 0.01 . 2 . . . . 147 LEU HD1 . 16502 1 742 . 1 1 125 125 LEU HD13 H 1 0.75 0.01 . 2 . . . . 147 LEU HD1 . 16502 1 743 . 1 1 125 125 LEU HD21 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16502 1 744 . 1 1 125 125 LEU HD22 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16502 1 745 . 1 1 125 125 LEU HD23 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16502 1 746 . 1 1 125 125 LEU HG H 1 1.49 0.01 . 1 . . . . 147 LEU HG . 16502 1 747 . 1 1 126 126 PRO HA H 1 5.59 0.01 . 1 . . . . 148 PRO HA . 16502 1 748 . 1 1 126 126 PRO HB2 H 1 2.04 0.01 . 2 . . . . 148 PRO HB2 . 16502 1 749 . 1 1 126 126 PRO HB3 H 1 2.04 0.01 . 2 . . . . 148 PRO HB3 . 16502 1 750 . 1 1 126 126 PRO HD2 H 1 4.22 0.01 . 2 . . . . 148 PRO HD2 . 16502 1 751 . 1 1 126 126 PRO HD3 H 1 3.93 0.01 . 2 . . . . 148 PRO HD3 . 16502 1 752 . 1 1 126 126 PRO HG2 H 1 2.36 0.01 . 2 . . . . 148 PRO HG2 . 16502 1 753 . 1 1 126 126 PRO HG3 H 1 2.36 0.01 . 2 . . . . 148 PRO HG3 . 16502 1 754 . 1 1 127 127 LEU H H 1 9.75 0.01 . 1 . . . . 149 LEU HN . 16502 1 755 . 1 1 127 127 LEU HA H 1 5.03 0.01 . 1 . . . . 149 LEU HA . 16502 1 756 . 1 1 127 127 LEU HB2 H 1 1.70 0.01 . 2 . . . . 149 LEU HB2 . 16502 1 757 . 1 1 127 127 LEU HB3 H 1 1.70 0.01 . 2 . . . . 149 LEU HB3 . 16502 1 758 . 1 1 127 127 LEU HD11 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16502 1 759 . 1 1 127 127 LEU HD12 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16502 1 760 . 1 1 127 127 LEU HD13 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16502 1 761 . 1 1 127 127 LEU HD21 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16502 1 762 . 1 1 127 127 LEU HD22 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16502 1 763 . 1 1 127 127 LEU HD23 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16502 1 764 . 1 1 127 127 LEU HG H 1 1.82 0.01 . 1 . . . . 149 LEU HG . 16502 1 765 . 1 1 128 128 PRO HA H 1 4.71 0.01 . 1 . . . . 150 PRO HA . 16502 1 766 . 1 1 128 128 PRO HB2 H 1 2.33 0.01 . 2 . . . . 150 PRO HB2 . 16502 1 767 . 1 1 128 128 PRO HB3 H 1 1.96 0.01 . 2 . . . . 150 PRO HB3 . 16502 1 768 . 1 1 128 128 PRO HD2 H 1 3.83 0.01 . 2 . . . . 150 PRO HD2 . 16502 1 769 . 1 1 128 128 PRO HD3 H 1 3.65 0.01 . 2 . . . . 150 PRO HD3 . 16502 1 770 . 1 1 128 128 PRO HG2 H 1 2.02 0.01 . 2 . . . . 150 PRO HG2 . 16502 1 771 . 1 1 128 128 PRO HG3 H 1 2.02 0.01 . 2 . . . . 150 PRO HG3 . 16502 1 772 . 1 1 129 129 VAL H H 1 8.13 0.01 . 1 . . . . 151 VAL HN . 16502 1 773 . 1 1 129 129 VAL HA H 1 3.76 0.01 . 1 . . . . 151 VAL HA . 16502 1 774 . 1 1 129 129 VAL HB H 1 1.98 0.01 . 1 . . . . 151 VAL HB . 16502 1 775 . 1 1 129 129 VAL HG11 H 1 0.85 0.01 . 2 . . . . 151 VAL HG1 . 16502 1 776 . 1 1 129 129 VAL HG12 H 1 0.85 0.01 . 2 . . . . 151 VAL HG1 . 16502 1 777 . 1 1 129 129 VAL HG13 H 1 0.85 0.01 . 2 . . . . 151 VAL HG1 . 16502 1 778 . 1 1 129 129 VAL HG21 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16502 1 779 . 1 1 129 129 VAL HG22 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16502 1 780 . 1 1 129 129 VAL HG23 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16502 1 781 . 1 1 130 130 SER H H 1 7.97 0.01 . 1 . . . . 152 SER HN . 16502 1 782 . 1 1 130 130 SER HA H 1 4.54 0.01 . 1 . . . . 152 SER HA . 16502 1 783 . 1 1 131 131 SER H H 1 8.50 0.01 . 1 . . . . 153 SER HN . 16502 1 784 . 1 1 131 131 SER HA H 1 4.47 0.01 . 1 . . . . 153 SER HA . 16502 1 785 . 1 1 131 131 SER HB2 H 1 3.85 0.01 . 2 . . . . 153 SER HB2 . 16502 1 786 . 1 1 131 131 SER HB3 H 1 3.85 0.01 . 2 . . . . 153 SER HB3 . 16502 1 787 . 1 1 132 132 ASP H H 1 8.04 0.01 . 1 . . . . 154 ASP HN . 16502 1 788 . 1 1 132 132 ASP HA H 1 4.34 0.01 . 1 . . . . 154 ASP HA . 16502 1 789 . 1 1 132 132 ASP HB2 H 1 2.70 0.01 . 2 . . . . 154 ASP HB2 . 16502 1 790 . 1 1 132 132 ASP HB3 H 1 2.54 0.01 . 2 . . . . 154 ASP HB3 . 16502 1 stop_ save_