data_16493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16493 _Entry.Title ; Backbone and side chain 1H chemical shift assignments for acidic fibrobast growth factor bound to inositol hexasulfate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-14 _Entry.Accession_date 2009-09-14 _Entry.Last_release_date 2009-09-15 _Entry.Original_release_date 2009-09-15 _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 Antonio Pineda-Lucena . . . . 16493 2 'M. Angeles' Jimenez . . . . 16493 3 Jose Nieto . L. . . 16493 4 Jorge Santoro . . . . 16493 5 Manuel Rico . . . . 16493 6 Guillermo Gimenez-Gallego . . . . 16493 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' . 16493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 872 16493 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 . . 2009-10-06 . original BMRB . 16493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16494 aFGF 16493 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 16493 _Citation.ID 1 _Citation.Class 'entry 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 . . . . 16493 1 2 'M. Angeles' Jimenez . . . . 16493 1 3 Jose Nieto . L. . . 16493 1 4 Jorge Santoro . . . . 16493 1 5 Manuel Rico . . . . 16493 1 6 Guillermo Gimenez-Gallego . . . . 16493 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acidic fibroblast growth factor' 16493 1 heparin 16493 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 16493 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1006/jmbi.1996.0631 _Citation.PubMed_ID 8950275 _Citation.Full_citation . _Citation.Title ; Three-dimensional structure of acidic fibroblast growth factor in solution: effects of binding to a heparin functional analog. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 264 _Citation.Journal_issue 1 _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 162 _Citation.Page_last 178 _Citation.Year 1996 _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 . . . . 16493 2 2 'M. Angeles' Jimenez . . . . 16493 2 3 Rosa Lozano . M. . . 16493 2 4 Jose Nieto . L. . . 16493 2 5 Jorge Santoro . . . . 16493 2 6 Manuel Rico . . . . 16493 2 7 Guillermo Gimenez-Gallego . . . . 16493 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FGF activation' 16493 2 'acidic fibroblast growth factor' 16493 2 'heparin functional analog' 16493 2 'mitogenic activity regulation' 16493 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16493 _Assembly.ID 1 _Assembly.Name 'aFGF/MIHS complex' _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 inositol hexasulfate' _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 . . . 16493 1 2 'inositol hexasulfate' 2 $IHS A . no native no no . . . 16493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aFGF _Entity.Sf_category entity _Entity.Sf_framecode aFGF _Entity.Entry_ID 16493 _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 . _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' 16493 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 23 LYS . 16493 1 2 24 LYS . 16493 1 3 25 PRO . 16493 1 4 26 LYS . 16493 1 5 27 LEU . 16493 1 6 28 LEU . 16493 1 7 29 TYR . 16493 1 8 30 CYS . 16493 1 9 31 SER . 16493 1 10 32 ASN . 16493 1 11 33 GLY . 16493 1 12 34 GLY . 16493 1 13 35 HIS . 16493 1 14 36 PHE . 16493 1 15 37 LEU . 16493 1 16 38 ARG . 16493 1 17 39 ILE . 16493 1 18 40 LEU . 16493 1 19 41 PRO . 16493 1 20 42 ASP . 16493 1 21 43 GLY . 16493 1 22 44 THR . 16493 1 23 45 VAL . 16493 1 24 46 ASP . 16493 1 25 47 GLY . 16493 1 26 48 THR . 16493 1 27 49 ARG . 16493 1 28 50 ASP . 16493 1 29 51 ARG . 16493 1 30 52 SER . 16493 1 31 53 ASP . 16493 1 32 54 GLN . 16493 1 33 55 HIS . 16493 1 34 56 ILE . 16493 1 35 57 GLN . 16493 1 36 58 LEU . 16493 1 37 59 GLN . 16493 1 38 60 LEU . 16493 1 39 61 SER . 16493 1 40 62 ALA . 16493 1 41 63 GLU . 16493 1 42 64 SER . 16493 1 43 65 VAL . 16493 1 44 66 GLY . 16493 1 45 67 GLU . 16493 1 46 68 VAL . 16493 1 47 69 TYR . 16493 1 48 70 ILE . 16493 1 49 71 LYS . 16493 1 50 72 SER . 16493 1 51 73 THR . 16493 1 52 74 GLU . 16493 1 53 75 THR . 16493 1 54 76 GLY . 16493 1 55 77 GLN . 16493 1 56 78 TYR . 16493 1 57 79 LEU . 16493 1 58 80 ALA . 16493 1 59 81 MET . 16493 1 60 82 ASP . 16493 1 61 83 THR . 16493 1 62 84 ASP . 16493 1 63 85 GLY . 16493 1 64 86 LEU . 16493 1 65 87 LEU . 16493 1 66 88 TYR . 16493 1 67 89 GLY . 16493 1 68 90 SER . 16493 1 69 91 GLN . 16493 1 70 92 THR . 16493 1 71 93 PRO . 16493 1 72 94 ASN . 16493 1 73 95 GLU . 16493 1 74 96 GLU . 16493 1 75 97 CYS . 16493 1 76 98 LEU . 16493 1 77 99 PHE . 16493 1 78 100 LEU . 16493 1 79 101 GLU . 16493 1 80 102 ARG . 16493 1 81 103 LEU . 16493 1 82 104 GLU . 16493 1 83 105 GLU . 16493 1 84 106 ASN . 16493 1 85 107 HIS . 16493 1 86 108 TYR . 16493 1 87 109 ASN . 16493 1 88 110 THR . 16493 1 89 111 TYR . 16493 1 90 112 ILE . 16493 1 91 113 SER . 16493 1 92 114 LYS . 16493 1 93 115 LYS . 16493 1 94 116 HIS . 16493 1 95 117 ALA . 16493 1 96 118 GLU . 16493 1 97 119 LYS . 16493 1 98 120 ASN . 16493 1 99 121 TRP . 16493 1 100 122 PHE . 16493 1 101 123 VAL . 16493 1 102 124 GLY . 16493 1 103 125 LEU . 16493 1 104 126 LYS . 16493 1 105 127 LYS . 16493 1 106 128 ASN . 16493 1 107 129 GLY . 16493 1 108 130 SER . 16493 1 109 131 CYS . 16493 1 110 132 LYS . 16493 1 111 133 ARG . 16493 1 112 134 GLY . 16493 1 113 135 PRO . 16493 1 114 136 ARG . 16493 1 115 137 THR . 16493 1 116 138 HIS . 16493 1 117 139 TYR . 16493 1 118 140 GLY . 16493 1 119 141 GLN . 16493 1 120 142 LYS . 16493 1 121 143 ALA . 16493 1 122 144 ILE . 16493 1 123 145 LEU . 16493 1 124 146 PHE . 16493 1 125 147 LEU . 16493 1 126 148 PRO . 16493 1 127 149 LEU . 16493 1 128 150 PRO . 16493 1 129 151 VAL . 16493 1 130 152 SER . 16493 1 131 153 SER . 16493 1 132 154 ASP . 16493 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 16493 1 . LYS 2 2 16493 1 . PRO 3 3 16493 1 . LYS 4 4 16493 1 . LEU 5 5 16493 1 . LEU 6 6 16493 1 . TYR 7 7 16493 1 . CYS 8 8 16493 1 . SER 9 9 16493 1 . ASN 10 10 16493 1 . GLY 11 11 16493 1 . GLY 12 12 16493 1 . HIS 13 13 16493 1 . PHE 14 14 16493 1 . LEU 15 15 16493 1 . ARG 16 16 16493 1 . ILE 17 17 16493 1 . LEU 18 18 16493 1 . PRO 19 19 16493 1 . ASP 20 20 16493 1 . GLY 21 21 16493 1 . THR 22 22 16493 1 . VAL 23 23 16493 1 . ASP 24 24 16493 1 . GLY 25 25 16493 1 . THR 26 26 16493 1 . ARG 27 27 16493 1 . ASP 28 28 16493 1 . ARG 29 29 16493 1 . SER 30 30 16493 1 . ASP 31 31 16493 1 . GLN 32 32 16493 1 . HIS 33 33 16493 1 . ILE 34 34 16493 1 . GLN 35 35 16493 1 . LEU 36 36 16493 1 . GLN 37 37 16493 1 . LEU 38 38 16493 1 . SER 39 39 16493 1 . ALA 40 40 16493 1 . GLU 41 41 16493 1 . SER 42 42 16493 1 . VAL 43 43 16493 1 . GLY 44 44 16493 1 . GLU 45 45 16493 1 . VAL 46 46 16493 1 . TYR 47 47 16493 1 . ILE 48 48 16493 1 . LYS 49 49 16493 1 . SER 50 50 16493 1 . THR 51 51 16493 1 . GLU 52 52 16493 1 . THR 53 53 16493 1 . GLY 54 54 16493 1 . GLN 55 55 16493 1 . TYR 56 56 16493 1 . LEU 57 57 16493 1 . ALA 58 58 16493 1 . MET 59 59 16493 1 . ASP 60 60 16493 1 . THR 61 61 16493 1 . ASP 62 62 16493 1 . GLY 63 63 16493 1 . LEU 64 64 16493 1 . LEU 65 65 16493 1 . TYR 66 66 16493 1 . GLY 67 67 16493 1 . SER 68 68 16493 1 . GLN 69 69 16493 1 . THR 70 70 16493 1 . PRO 71 71 16493 1 . ASN 72 72 16493 1 . GLU 73 73 16493 1 . GLU 74 74 16493 1 . CYS 75 75 16493 1 . LEU 76 76 16493 1 . PHE 77 77 16493 1 . LEU 78 78 16493 1 . GLU 79 79 16493 1 . ARG 80 80 16493 1 . LEU 81 81 16493 1 . GLU 82 82 16493 1 . GLU 83 83 16493 1 . ASN 84 84 16493 1 . HIS 85 85 16493 1 . TYR 86 86 16493 1 . ASN 87 87 16493 1 . THR 88 88 16493 1 . TYR 89 89 16493 1 . ILE 90 90 16493 1 . SER 91 91 16493 1 . LYS 92 92 16493 1 . LYS 93 93 16493 1 . HIS 94 94 16493 1 . ALA 95 95 16493 1 . GLU 96 96 16493 1 . LYS 97 97 16493 1 . ASN 98 98 16493 1 . TRP 99 99 16493 1 . PHE 100 100 16493 1 . VAL 101 101 16493 1 . GLY 102 102 16493 1 . LEU 103 103 16493 1 . LYS 104 104 16493 1 . LYS 105 105 16493 1 . ASN 106 106 16493 1 . GLY 107 107 16493 1 . SER 108 108 16493 1 . CYS 109 109 16493 1 . LYS 110 110 16493 1 . ARG 111 111 16493 1 . GLY 112 112 16493 1 . PRO 113 113 16493 1 . ARG 114 114 16493 1 . THR 115 115 16493 1 . HIS 116 116 16493 1 . TYR 117 117 16493 1 . GLY 118 118 16493 1 . GLN 119 119 16493 1 . LYS 120 120 16493 1 . ALA 121 121 16493 1 . ILE 122 122 16493 1 . LEU 123 123 16493 1 . PHE 124 124 16493 1 . LEU 125 125 16493 1 . PRO 126 126 16493 1 . LEU 127 127 16493 1 . PRO 128 128 16493 1 . VAL 129 129 16493 1 . SER 130 130 16493 1 . SER 131 131 16493 1 . ASP 132 132 16493 1 stop_ save_ save_IHS _Entity.Sf_category entity _Entity.Sf_framecode IHS _Entity.Entry_ID 16493 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IHS _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 IHS _Entity.Nonpolymer_comp_label $chem_comp_IHS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . IHS . 16493 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 16493 _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 . . . . . . . . . . . . . 16493 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 16493 _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 . . . 16493 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_IHS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_IHS _Chem_comp.Entry_ID 16493 _Chem_comp.ID IHS _Chem_comp.Provenance PDB _Chem_comp.Name D-MYO-INOSITOL-HEXASULPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code IHS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2002-05-23 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code IHS _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 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O24 S6' _Chem_comp.Formula_weight 660.535 _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 yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1LR8 _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 Tue Jun 9 14:41:18 2009 ; _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 C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 16493 IHS C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16493 IHS ; InChI=1/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/f/h7,10,13,16,19,22H ; InChI InChI 1.02b 16493 IHS NBTMNFYXJYCQHQ-BHKRPHDACR InChIKey InChI 1.02b 16493 IHS O=S(=O)(O)OC1C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O SMILES ACDLabs 10.04 16493 IHS O[S](=O)(=O)OC1C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C1O[S](O)(=O)=O SMILES CACTVS 3.341 16493 IHS O[S](=O)(=O)OC1C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C(O[S](O)(=O)=O)C1O[S](O)(=O)=O SMILES_CANONICAL CACTVS 3.341 16493 IHS 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 '(2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16493 IHS 'cyclohexane-1,2,3,4,5,6-hexayl hexakis(hydrogen sulfate)' 'SYSTEMATIC NAME' ACDLabs 10.04 16493 IHS 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 . . . . no no . . . . 60.663 . 16.112 . 21.770 . 0.755 -0.322 2.731 1 . 16493 IHS O1 . O1 . . O . . N 0 . . . . no no . . . . 61.716 . 15.169 . 21.954 . 1.264 0.929 2.264 2 . 16493 IHS S1 . S1 . . S . . N 0 . . . . no no . . . . 61.321 . 13.503 . 21.543 . 2.610 1.555 2.942 3 . 16493 IHS O4 . O4 . . O . . N 0 . . . . no no . . . . 61.528 . 12.569 . 22.602 . 2.735 3.030 2.256 4 . 16493 IHS O3 . O3 . . O . . N 0 . . . . no no . . . . 59.871 . 13.542 . 21.306 . 2.334 1.750 4.353 5 . 16493 IHS O2 . O2 . . O . . N 0 . . . . no no . . . . 62.091 . 13.047 . 20.354 . 3.758 0.771 2.526 6 . 16493 IHS C2 . C2 . . C . . N 0 . . . . no no . . . . . . . . . . 1.838 -1.384 2.520 7 . 16493 IHS O12 . O12 . . O . . N 0 . . . . no no . . . . . . . . . . 1.438 -2.578 3.187 8 . 16493 IHS S2 . S2 . . S . . N 0 . . . . no no . . . . . . . . . . 1.136 -2.540 4.788 9 . 16493 IHS O32 . O32 . . O . . N 0 . . . . no no . . . . . . . . . . 2.357 -2.114 5.447 10 . 16493 IHS O22 . O22 . . O . . N 0 . . . . no no . . . . . . . . . . -0.105 -1.825 5.021 11 . 16493 IHS O42 . O42 . . O . . N 0 . . . . no no . . . . . . . . . . 0.892 -4.107 5.171 12 . 16493 IHS C3 . C3 . . C . . N 0 . . . . no no . . . . . . . . . . 2.070 -1.647 1.021 13 . 16493 IHS O13 . O13 . . O . . N 0 . . . . no no . . . . . . . . . . 3.027 -2.687 0.844 14 . 16493 IHS S3 . S3 . . S . . N 0 . . . . no no . . . . . . . . . . 4.534 -2.506 1.442 15 . 16493 IHS O33 . O33 . . O . . N 0 . . . . no no . . . . . . . . . . 5.113 -1.334 0.810 16 . 16493 IHS O23 . O23 . . O . . N 0 . . . . no no . . . . . . . . . . 4.485 -2.603 2.889 17 . 16493 IHS O43 . O43 . . O . . N 0 . . . . no no . . . . . . . . . . 5.331 -3.813 0.877 18 . 16493 IHS C4 . C4 . . C . . N 0 . . . . no no . . . . . . . . . . 0.782 -2.007 0.270 19 . 16493 IHS O14 . O14 . . O . . N 0 . . . . no no . . . . . . . . . . 0.298 -3.285 0.689 20 . 16493 IHS S4 . S4 . . S . . N 0 . . . . no no . . . . . . . . . . 1.237 -4.603 0.493 21 . 16493 IHS O34 . O34 . . O . . N 0 . . . . no no . . . . . . . . . . 1.505 -4.732 -0.927 22 . 16493 IHS O24 . O24 . . O . . N 0 . . . . no no . . . . . . . . . . 2.335 -4.549 1.440 23 . 16493 IHS O44 . O44 . . O . . N 0 . . . . no no . . . . . . . . . . 0.263 -5.838 0.924 24 . 16493 IHS C5 . C5 . . C . . N 0 . . . . no no . . . . . . . . . . -0.294 -0.935 0.493 25 . 16493 IHS O15 . O15 . . O . . N 0 . . . . no no . . . . . . . . . . -1.516 -1.352 -0.114 26 . 16493 IHS S5 . S5 . . S . . N 0 . . . . no no . . . . . . . . . . -1.560 -1.635 -1.719 27 . 16493 IHS O35 . O35 . . O . . N 0 . . . . no no . . . . . . . . . . -1.195 -0.398 -2.384 28 . 16493 IHS O25 . O25 . . O . . N 0 . . . . no no . . . . . . . . . . -0.835 -2.859 -2.006 29 . 16493 IHS O45 . O45 . . O . . N 0 . . . . no no . . . . . . . . . . -3.141 -1.906 -2.019 30 . 16493 IHS C6 . C6 . . C . . N 0 . . . . no no . . . . . . . . . . -0.544 -0.670 1.983 31 . 16493 IHS O16 . O16 . . O . . N 0 . . . . no no . . . . . . . . . . -1.465 0.413 2.107 32 . 16493 IHS S6 . S6 . . S . . N 0 . . . . no no . . . . . . . . . . -1.963 0.877 3.588 33 . 16493 IHS O36 . O36 . . O . . N 0 . . . . no no . . . . . . . . . . -2.617 -0.266 4.199 34 . 16493 IHS O26 . O26 . . O . . N 0 . . . . no no . . . . . . . . . . -0.870 1.542 4.272 35 . 16493 IHS O46 . O46 . . O . . N 0 . . . . no no . . . . . . . . . . -3.113 1.992 3.277 36 . 16493 IHS HC1 . HC1 . . H . . N 0 . . . . no no . . . . 61.381 . 16.869 . 22.118 . 0.532 -0.200 3.797 37 . 16493 IHS HO4 . HO4 . . H . . N 0 . . . . no no . . . . 61.574 . 11.690 . 22.245 . 2.708 3.047 1.271 38 . 16493 IHS HC2 . HC2 . . H . . N 0 . . . . no no . . . . . . . . . . 2.784 -1.067 2.974 39 . 16493 IHS HO42 . HO42 . . H . . N 0 . . . . no no . . . . . . . . . . 0.223 -4.581 4.625 40 . 16493 IHS HC3 . HC3 . . H . . N 0 . . . . no no . . . . . . . . . . 2.497 -0.745 0.566 41 . 16493 IHS HO43 . HO43 . . H . . N 0 . . . . no no . . . . . . . . . . 4.905 -4.683 1.056 42 . 16493 IHS HC4 . HC4 . . H . . N 0 . . . . no no . . . . . . . . . . 0.988 -2.114 -0.801 43 . 16493 IHS HO44 . HO44 . . H . . N 0 . . . . no no . . . . . . . . . . -0.169 -5.754 1.805 44 . 16493 IHS HC5 . HC5 . . H . . N 0 . . . . no no . . . . . . . . . . -0.001 -0.004 -0.006 45 . 16493 IHS HO45 . HO45 . . H . . N 0 . . . . no no . . . . . . . . . . -3.571 -2.592 -1.456 46 . 16493 IHS HC6 . HC6 . . H . . N 0 . . . . no no . . . . . . . . . . -1.024 -1.542 2.442 47 . 16493 IHS HO46 . HO46 . . H . . N 0 . . . . no no . . . . . . . . . . -2.846 2.723 2.672 48 . 16493 IHS 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 . SING C1 O1 no N 1 . 16493 IHS 2 . SING C1 C2 no N 2 . 16493 IHS 3 . SING C1 C6 no N 3 . 16493 IHS 4 . SING C1 HC1 no N 4 . 16493 IHS 5 . SING O1 S1 no N 5 . 16493 IHS 6 . SING S1 O4 no N 6 . 16493 IHS 7 . DOUB S1 O3 no N 7 . 16493 IHS 8 . DOUB S1 O2 no N 8 . 16493 IHS 9 . SING O4 HO4 no N 9 . 16493 IHS 10 . SING C2 O12 no N 10 . 16493 IHS 11 . SING C2 C3 no N 11 . 16493 IHS 12 . SING C2 HC2 no N 12 . 16493 IHS 13 . SING O12 S2 no N 13 . 16493 IHS 14 . DOUB S2 O32 no N 14 . 16493 IHS 15 . DOUB S2 O22 no N 15 . 16493 IHS 16 . SING S2 O42 no N 16 . 16493 IHS 17 . SING O42 HO42 no N 17 . 16493 IHS 18 . SING C3 O13 no N 18 . 16493 IHS 19 . SING C3 C4 no N 19 . 16493 IHS 20 . SING C3 HC3 no N 20 . 16493 IHS 21 . SING O13 S3 no N 21 . 16493 IHS 22 . DOUB S3 O33 no N 22 . 16493 IHS 23 . DOUB S3 O23 no N 23 . 16493 IHS 24 . SING S3 O43 no N 24 . 16493 IHS 25 . SING O43 HO43 no N 25 . 16493 IHS 26 . SING C4 O14 no N 26 . 16493 IHS 27 . SING C4 C5 no N 27 . 16493 IHS 28 . SING C4 HC4 no N 28 . 16493 IHS 29 . SING O14 S4 no N 29 . 16493 IHS 30 . DOUB S4 O34 no N 30 . 16493 IHS 31 . DOUB S4 O24 no N 31 . 16493 IHS 32 . SING S4 O44 no N 32 . 16493 IHS 33 . SING O44 HO44 no N 33 . 16493 IHS 34 . SING C5 O15 no N 34 . 16493 IHS 35 . SING C5 C6 no N 35 . 16493 IHS 36 . SING C5 HC5 no N 36 . 16493 IHS 37 . SING O15 S5 no N 37 . 16493 IHS 38 . DOUB S5 O35 no N 38 . 16493 IHS 39 . DOUB S5 O25 no N 39 . 16493 IHS 40 . SING S5 O45 no N 40 . 16493 IHS 41 . SING O45 HO45 no N 41 . 16493 IHS 42 . SING C6 O16 no N 42 . 16493 IHS 43 . SING C6 HC6 no N 43 . 16493 IHS 44 . SING O16 S6 no N 44 . 16493 IHS 45 . DOUB S6 O36 no N 45 . 16493 IHS 46 . DOUB S6 O26 no N 46 . 16493 IHS 47 . SING S6 O46 no N 47 . 16493 IHS 48 . SING O46 HO46 no N 48 . 16493 IHS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16493 _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 . . . . 16493 1 2 MIHS 'natural abundance' . . 2 $IHS . . . 1 2 mM . . . . 16493 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16493 1 4 TSP 'natural abundance' . . . . . . . 0.1 0.2 mM . . . . 16493 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16493 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16493 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16493 _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 . . . . 16493 2 2 MIHS 'natural abundance' . . 2 $IHS . . . 1 2 mM . . . . 16493 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16493 2 4 TSP 'natural abundance' . . . . . . . 0.1 0.2 mM . . . . 16493 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16493 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 16493 _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 16493 1 pH 6 . pH 16493 1 pressure 1 . atm 16493 1 temperature 298 . K 16493 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16493 _Sample_condition_list.ID 2 _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 16493 2 pH 6 . pH 16493 2 pressure 1 . atm 16493 2 temperature 308 . K 16493 2 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 16493 _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' . . 16493 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16493 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 16493 _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 16493 _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 . . . 16493 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 16493 _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 . . . . . . . . . . . . . . . . 16493 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 7 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16493 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 16493 _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 . . . . . 16493 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 16493 _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' . . . 16493 1 2 '2D 1H-1H TOCSY' . . . 16493 1 3 '2D 1H-1H NOESY' . . . 16493 1 5 '2D 1H-1H TOCSY' . . . 16493 1 6 '2D 1H-1H NOESY' . . . 16493 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.26 0.01 . 1 . . . . 23 LYS HA . 16493 1 2 . 1 1 1 1 LYS HB2 H 1 2.05 0.01 . 2 . . . . 23 LYS HB2 . 16493 1 3 . 1 1 1 1 LYS HB3 H 1 1.96 0.01 . 2 . . . . 23 LYS HB3 . 16493 1 4 . 1 1 1 1 LYS HD2 H 1 1.85 0.01 . 2 . . . . 23 LYS HD2 . 16493 1 5 . 1 1 1 1 LYS HD3 H 1 1.85 0.01 . 2 . . . . 23 LYS HD3 . 16493 1 6 . 1 1 1 1 LYS HE2 H 1 3.14 0.01 . 2 . . . . 23 LYS HE2 . 16493 1 7 . 1 1 1 1 LYS HE3 H 1 3.14 0.01 . 2 . . . . 23 LYS HE3 . 16493 1 8 . 1 1 1 1 LYS HG2 H 1 1.65 0.01 . 2 . . . . 23 LYS HG2 . 16493 1 9 . 1 1 1 1 LYS HG3 H 1 1.65 0.01 . 2 . . . . 23 LYS HG3 . 16493 1 10 . 1 1 2 2 LYS HA H 1 4.69 0.01 . 1 . . . . 24 LYS HA . 16493 1 11 . 1 1 2 2 LYS HB2 H 1 1.83 0.01 . 2 . . . . 24 LYS HB2 . 16493 1 12 . 1 1 2 2 LYS HB3 H 1 1.83 0.01 . 2 . . . . 24 LYS HB3 . 16493 1 13 . 1 1 3 3 PRO HA H 1 4.29 0.01 . 1 . . . . 25 PRO HA . 16493 1 14 . 1 1 3 3 PRO HB2 H 1 2.18 0.01 . 2 . . . . 25 PRO HB2 . 16493 1 15 . 1 1 3 3 PRO HB3 H 1 2.18 0.01 . 2 . . . . 25 PRO HB3 . 16493 1 16 . 1 1 3 3 PRO HD2 H 1 3.88 0.01 . 2 . . . . 25 PRO HD2 . 16493 1 17 . 1 1 3 3 PRO HD3 H 1 3.66 0.01 . 2 . . . . 25 PRO HD3 . 16493 1 18 . 1 1 4 4 LYS H H 1 9.36 0.01 . 1 . . . . 26 LYS HN . 16493 1 19 . 1 1 4 4 LYS HA H 1 5.01 0.01 . 1 . . . . 26 LYS HA . 16493 1 20 . 1 1 4 4 LYS HB2 H 1 1.82 0.01 . 2 . . . . 26 LYS HB2 . 16493 1 21 . 1 1 4 4 LYS HB3 H 1 1.48 0.01 . 2 . . . . 26 LYS HB3 . 16493 1 22 . 1 1 4 4 LYS HD2 H 1 1.82 0.01 . 2 . . . . 26 LYS HD2 . 16493 1 23 . 1 1 4 4 LYS HD3 H 1 1.82 0.01 . 2 . . . . 26 LYS HD3 . 16493 1 24 . 1 1 4 4 LYS HE2 H 1 3.24 0.01 . 2 . . . . 26 LYS HE2 . 16493 1 25 . 1 1 4 4 LYS HE3 H 1 3.22 0.01 . 2 . . . . 26 LYS HE3 . 16493 1 26 . 1 1 4 4 LYS HG2 H 1 1.48 0.01 . 2 . . . . 26 LYS HG2 . 16493 1 27 . 1 1 4 4 LYS HG3 H 1 1.48 0.01 . 2 . . . . 26 LYS HG3 . 16493 1 28 . 1 1 4 4 LYS HZ1 H 1 6.90 0.01 . 1 . . . . 26 LYS HZ1 . 16493 1 29 . 1 1 4 4 LYS HZ2 H 1 6.90 0.01 . 1 . . . . 26 LYS HZ2 . 16493 1 30 . 1 1 4 4 LYS HZ3 H 1 6.90 0.01 . 1 . . . . 26 LYS HZ3 . 16493 1 31 . 1 1 5 5 LEU H H 1 9.09 0.01 . 1 . . . . 27 LEU HN . 16493 1 32 . 1 1 5 5 LEU HA H 1 4.92 0.01 . 1 . . . . 27 LEU HA . 16493 1 33 . 1 1 5 5 LEU HB2 H 1 1.78 0.01 . 2 . . . . 27 LEU HB2 . 16493 1 34 . 1 1 5 5 LEU HB3 H 1 1.62 0.01 . 2 . . . . 27 LEU HB3 . 16493 1 35 . 1 1 5 5 LEU HD11 H 1 0.60 0.01 . 2 . . . . 27 LEU HD1 . 16493 1 36 . 1 1 5 5 LEU HD12 H 1 0.60 0.01 . 2 . . . . 27 LEU HD1 . 16493 1 37 . 1 1 5 5 LEU HD13 H 1 0.60 0.01 . 2 . . . . 27 LEU HD1 . 16493 1 38 . 1 1 5 5 LEU HD21 H 1 0.50 0.01 . 2 . . . . 27 LEU HD2 . 16493 1 39 . 1 1 5 5 LEU HD22 H 1 0.50 0.01 . 2 . . . . 27 LEU HD2 . 16493 1 40 . 1 1 5 5 LEU HD23 H 1 0.50 0.01 . 2 . . . . 27 LEU HD2 . 16493 1 41 . 1 1 5 5 LEU HG H 1 1.52 0.01 . 1 . . . . 27 LEU HG . 16493 1 42 . 1 1 6 6 LEU H H 1 10.42 0.01 . 1 . . . . 28 LEU HN . 16493 1 43 . 1 1 6 6 LEU HA H 1 4.99 0.01 . 1 . . . . 28 LEU HA . 16493 1 44 . 1 1 6 6 LEU HB2 H 1 1.69 0.01 . 2 . . . . 28 LEU HB2 . 16493 1 45 . 1 1 6 6 LEU HB3 H 1 1.30 0.01 . 2 . . . . 28 LEU HB3 . 16493 1 46 . 1 1 6 6 LEU HD11 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16493 1 47 . 1 1 6 6 LEU HD12 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16493 1 48 . 1 1 6 6 LEU HD13 H 1 0.67 0.01 . 2 . . . . 28 LEU HD1 . 16493 1 49 . 1 1 6 6 LEU HD21 H 1 0.42 0.01 . 2 . . . . 28 LEU HD2 . 16493 1 50 . 1 1 6 6 LEU HD22 H 1 0.42 0.01 . 2 . . . . 28 LEU HD2 . 16493 1 51 . 1 1 6 6 LEU HD23 H 1 0.42 0.01 . 2 . . . . 28 LEU HD2 . 16493 1 52 . 1 1 6 6 LEU HG H 1 1.46 0.01 . 1 . . . . 28 LEU HG . 16493 1 53 . 1 1 7 7 TYR H H 1 8.66 0.01 . 1 . . . . 29 TYR HN . 16493 1 54 . 1 1 7 7 TYR HA H 1 4.57 0.01 . 1 . . . . 29 TYR HA . 16493 1 55 . 1 1 7 7 TYR HB2 H 1 3.42 0.01 . 2 . . . . 29 TYR HB2 . 16493 1 56 . 1 1 7 7 TYR HB3 H 1 2.94 0.01 . 2 . . . . 29 TYR HB3 . 16493 1 57 . 1 1 7 7 TYR HD1 H 1 6.44 0.01 . 3 . . . . 29 TYR HD1 . 16493 1 58 . 1 1 7 7 TYR HD2 H 1 6.44 0.01 . 3 . . . . 29 TYR HD2 . 16493 1 59 . 1 1 7 7 TYR HE1 H 1 6.50 0.01 . 3 . . . . 29 TYR HE1 . 16493 1 60 . 1 1 7 7 TYR HE2 H 1 6.50 0.01 . 3 . . . . 29 TYR HE2 . 16493 1 61 . 1 1 8 8 CYS H H 1 9.32 0.01 . 1 . . . . 30 CYS HN . 16493 1 62 . 1 1 8 8 CYS HA H 1 4.21 0.01 . 1 . . . . 30 CYS HA . 16493 1 63 . 1 1 8 8 CYS HB2 H 1 2.60 0.01 . 2 . . . . 30 CYS HB2 . 16493 1 64 . 1 1 8 8 CYS HB3 H 1 2.52 0.01 . 2 . . . . 30 CYS HB3 . 16493 1 65 . 1 1 9 9 SER H H 1 8.33 0.01 . 1 . . . . 31 SER HN . 16493 1 66 . 1 1 9 9 SER HA H 1 3.92 0.01 . 1 . . . . 31 SER HA . 16493 1 67 . 1 1 9 9 SER HB2 H 1 3.88 0.01 . 2 . . . . 31 SER HB2 . 16493 1 68 . 1 1 9 9 SER HB3 H 1 3.88 0.01 . 2 . . . . 31 SER HB3 . 16493 1 69 . 1 1 10 10 ASN H H 1 7.52 0.01 . 1 . . . . 32 ASN HN . 16493 1 70 . 1 1 10 10 ASN HA H 1 4.40 0.01 . 1 . . . . 32 ASN HA . 16493 1 71 . 1 1 10 10 ASN HB2 H 1 2.85 0.01 . 2 . . . . 32 ASN HB2 . 16493 1 72 . 1 1 10 10 ASN HB3 H 1 2.85 0.01 . 2 . . . . 32 ASN HB3 . 16493 1 73 . 1 1 11 11 GLY H H 1 8.46 0.01 . 1 . . . . 33 GLY HN . 16493 1 74 . 1 1 11 11 GLY HA2 H 1 4.65 0.01 . 2 . . . . 33 GLY HA1 . 16493 1 75 . 1 1 11 11 GLY HA3 H 1 3.94 0.01 . 2 . . . . 33 GLY HA2 . 16493 1 76 . 1 1 12 12 GLY H H 1 7.21 0.01 . 1 . . . . 34 GLY HN . 16493 1 77 . 1 1 12 12 GLY HA2 H 1 3.57 0.01 . 2 . . . . 34 GLY HA1 . 16493 1 78 . 1 1 12 12 GLY HA3 H 1 3.18 0.01 . 2 . . . . 34 GLY HA2 . 16493 1 79 . 1 1 13 13 HIS H H 1 6.39 0.01 . 1 . . . . 35 HIS HN . 16493 1 80 . 1 1 13 13 HIS HA H 1 4.07 0.01 . 1 . . . . 35 HIS HA . 16493 1 81 . 1 1 13 13 HIS HB2 H 1 2.63 0.01 . 2 . . . . 35 HIS HB2 . 16493 1 82 . 1 1 13 13 HIS HB3 H 1 2.48 0.01 . 2 . . . . 35 HIS HB3 . 16493 1 83 . 1 1 13 13 HIS HD1 H 1 6.47 0.01 . 1 . . . . 35 HIS HD1 . 16493 1 84 . 1 1 13 13 HIS HE2 H 1 7.68 0.01 . 1 . . . . 35 HIS HE2 . 16493 1 85 . 1 1 14 14 PHE H H 1 9.39 0.01 . 1 . . . . 36 PHE HN . 16493 1 86 . 1 1 14 14 PHE HA H 1 5.42 0.01 . 1 . . . . 36 PHE HA . 16493 1 87 . 1 1 14 14 PHE HB2 H 1 3.56 0.01 . 2 . . . . 36 PHE HB2 . 16493 1 88 . 1 1 14 14 PHE HB3 H 1 2.93 0.01 . 2 . . . . 36 PHE HB3 . 16493 1 89 . 1 1 14 14 PHE HD1 H 1 7.28 0.01 . 3 . . . . 36 PHE HD1 . 16493 1 90 . 1 1 14 14 PHE HD2 H 1 7.28 0.01 . 3 . . . . 36 PHE HD2 . 16493 1 91 . 1 1 14 14 PHE HE1 H 1 7.20 0.01 . 3 . . . . 36 PHE HE1 . 16493 1 92 . 1 1 14 14 PHE HE2 H 1 7.20 0.01 . 3 . . . . 36 PHE HE2 . 16493 1 93 . 1 1 15 15 LEU H H 1 8.54 0.01 . 1 . . . . 37 LEU HN . 16493 1 94 . 1 1 15 15 LEU HA H 1 4.34 0.01 . 1 . . . . 37 LEU HA . 16493 1 95 . 1 1 15 15 LEU HB2 H 1 1.89 0.01 . 2 . . . . 37 LEU HB2 . 16493 1 96 . 1 1 15 15 LEU HB3 H 1 1.35 0.01 . 2 . . . . 37 LEU HB3 . 16493 1 97 . 1 1 15 15 LEU HD11 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16493 1 98 . 1 1 15 15 LEU HD12 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16493 1 99 . 1 1 15 15 LEU HD13 H 1 0.67 0.01 . 2 . . . . 37 LEU HD1 . 16493 1 100 . 1 1 15 15 LEU HD21 H 1 0.42 0.01 . 2 . . . . 37 LEU HD2 . 16493 1 101 . 1 1 15 15 LEU HD22 H 1 0.42 0.01 . 2 . . . . 37 LEU HD2 . 16493 1 102 . 1 1 15 15 LEU HD23 H 1 0.42 0.01 . 2 . . . . 37 LEU HD2 . 16493 1 103 . 1 1 15 15 LEU HG H 1 1.46 0.01 . 1 . . . . 37 LEU HG . 16493 1 104 . 1 1 16 16 ARG H H 1 9.46 0.01 . 1 . . . . 38 ARG HN . 16493 1 105 . 1 1 16 16 ARG HA H 1 4.70 0.01 . 1 . . . . 38 ARG HA . 16493 1 106 . 1 1 16 16 ARG HB2 H 1 2.58 0.01 . 2 . . . . 38 ARG HB2 . 16493 1 107 . 1 1 16 16 ARG HB3 H 1 2.58 0.01 . 2 . . . . 38 ARG HB3 . 16493 1 108 . 1 1 16 16 ARG HD2 H 1 3.36 0.01 . 2 . . . . 38 ARG HD2 . 16493 1 109 . 1 1 16 16 ARG HD3 H 1 2.75 0.01 . 2 . . . . 38 ARG HD3 . 16493 1 110 . 1 1 16 16 ARG HE H 1 9.80 0.01 . 1 . . . . 38 ARG HE . 16493 1 111 . 1 1 16 16 ARG HG2 H 1 1.35 0.01 . 2 . . . . 38 ARG HG2 . 16493 1 112 . 1 1 16 16 ARG HG3 H 1 1.24 0.01 . 2 . . . . 38 ARG HG3 . 16493 1 113 . 1 1 17 17 ILE H H 1 7.10 0.01 . 1 . . . . 39 ILE HN . 16493 1 114 . 1 1 17 17 ILE HA H 1 4.55 0.01 . 1 . . . . 39 ILE HA . 16493 1 115 . 1 1 17 17 ILE HB H 1 1.66 0.01 . 1 . . . . 39 ILE HB . 16493 1 116 . 1 1 17 17 ILE HG21 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16493 1 117 . 1 1 17 17 ILE HG22 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16493 1 118 . 1 1 17 17 ILE HG23 H 1 0.60 0.01 . 1 . . . . 39 ILE HG2 . 16493 1 119 . 1 1 18 18 LEU H H 1 9.04 0.01 . 1 . . . . 40 LEU HN . 16493 1 120 . 1 1 18 18 LEU HA H 1 4.17 0.01 . 1 . . . . 40 LEU HA . 16493 1 121 . 1 1 18 18 LEU HB2 H 1 2.02 0.01 . 2 . . . . 40 LEU HB2 . 16493 1 122 . 1 1 18 18 LEU HB3 H 1 1.37 0.01 . 2 . . . . 40 LEU HB3 . 16493 1 123 . 1 1 18 18 LEU HD11 H 1 0.80 0.01 . 2 . . . . 40 LEU HD1 . 16493 1 124 . 1 1 18 18 LEU HD12 H 1 0.80 0.01 . 2 . . . . 40 LEU HD1 . 16493 1 125 . 1 1 18 18 LEU HD13 H 1 0.80 0.01 . 2 . . . . 40 LEU HD1 . 16493 1 126 . 1 1 18 18 LEU HD21 H 1 0.66 0.01 . 2 . . . . 40 LEU HD2 . 16493 1 127 . 1 1 18 18 LEU HD22 H 1 0.66 0.01 . 2 . . . . 40 LEU HD2 . 16493 1 128 . 1 1 18 18 LEU HD23 H 1 0.66 0.01 . 2 . . . . 40 LEU HD2 . 16493 1 129 . 1 1 19 19 PRO HA H 1 4.31 0.01 . 1 . . . . 41 PRO HA . 16493 1 130 . 1 1 19 19 PRO HB2 H 1 2.33 0.01 . 2 . . . . 41 PRO HB2 . 16493 1 131 . 1 1 19 19 PRO HB3 H 1 1.96 0.01 . 2 . . . . 41 PRO HB3 . 16493 1 132 . 1 1 19 19 PRO HD2 H 1 3.49 0.01 . 2 . . . . 41 PRO HD2 . 16493 1 133 . 1 1 19 19 PRO HD3 H 1 2.48 0.01 . 2 . . . . 41 PRO HD3 . 16493 1 134 . 1 1 19 19 PRO HG2 H 1 1.76 0.01 . 2 . . . . 41 PRO HG2 . 16493 1 135 . 1 1 19 19 PRO HG3 H 1 1.76 0.01 . 2 . . . . 41 PRO HG3 . 16493 1 136 . 1 1 20 20 ASP H H 1 7.51 0.01 . 1 . . . . 42 ASP HN . 16493 1 137 . 1 1 20 20 ASP HA H 1 4.51 0.01 . 1 . . . . 42 ASP HA . 16493 1 138 . 1 1 20 20 ASP HB2 H 1 3.09 0.01 . 2 . . . . 42 ASP HB2 . 16493 1 139 . 1 1 20 20 ASP HB3 H 1 2.58 0.01 . 2 . . . . 42 ASP HB3 . 16493 1 140 . 1 1 21 21 GLY H H 1 8.50 0.01 . 1 . . . . 43 GLY HN . 16493 1 141 . 1 1 22 22 THR H H 1 8.00 0.01 . 1 . . . . 44 THR HN . 16493 1 142 . 1 1 22 22 THR HA H 1 4.46 0.01 . 1 . . . . 44 THR HA . 16493 1 143 . 1 1 22 22 THR HB H 1 4.20 0.01 . 1 . . . . 44 THR HB . 16493 1 144 . 1 1 22 22 THR HG21 H 1 1.17 0.01 . 1 . . . . 44 THR HG2 . 16493 1 145 . 1 1 22 22 THR HG22 H 1 1.17 0.01 . 1 . . . . 44 THR HG2 . 16493 1 146 . 1 1 22 22 THR HG23 H 1 1.17 0.01 . 1 . . . . 44 THR HG2 . 16493 1 147 . 1 1 23 23 VAL H H 1 7.97 0.01 . 1 . . . . 45 VAL HN . 16493 1 148 . 1 1 23 23 VAL HA H 1 5.06 0.01 . 1 . . . . 45 VAL HA . 16493 1 149 . 1 1 23 23 VAL HB H 1 1.60 0.01 . 1 . . . . 45 VAL HB . 16493 1 150 . 1 1 23 23 VAL HG11 H 1 0.88 0.01 . 2 . . . . 45 VAL HG1 . 16493 1 151 . 1 1 23 23 VAL HG12 H 1 0.88 0.01 . 2 . . . . 45 VAL HG1 . 16493 1 152 . 1 1 23 23 VAL HG13 H 1 0.88 0.01 . 2 . . . . 45 VAL HG1 . 16493 1 153 . 1 1 23 23 VAL HG21 H 1 0.77 0.01 . 2 . . . . 45 VAL HG2 . 16493 1 154 . 1 1 23 23 VAL HG22 H 1 0.77 0.01 . 2 . . . . 45 VAL HG2 . 16493 1 155 . 1 1 23 23 VAL HG23 H 1 0.77 0.01 . 2 . . . . 45 VAL HG2 . 16493 1 156 . 1 1 24 24 ASP H H 1 9.06 0.01 . 1 . . . . 46 ASP HN . 16493 1 157 . 1 1 24 24 ASP HA H 1 4.30 0.01 . 1 . . . . 46 ASP HA . 16493 1 158 . 1 1 24 24 ASP HB2 H 1 3.01 0.01 . 2 . . . . 46 ASP HB2 . 16493 1 159 . 1 1 24 24 ASP HB3 H 1 2.72 0.01 . 2 . . . . 46 ASP HB3 . 16493 1 160 . 1 1 25 25 GLY H H 1 8.00 0.01 . 1 . . . . 47 GLY HN . 16493 1 161 . 1 1 25 25 GLY HA2 H 1 5.52 0.01 . 2 . . . . 47 GLY HA1 . 16493 1 162 . 1 1 25 25 GLY HA3 H 1 3.03 0.01 . 2 . . . . 47 GLY HA2 . 16493 1 163 . 1 1 26 26 THR H H 1 8.64 0.01 . 1 . . . . 48 THR HN . 16493 1 164 . 1 1 26 26 THR HA H 1 5.18 0.01 . 1 . . . . 48 THR HA . 16493 1 165 . 1 1 26 26 THR HB H 1 3.98 0.01 . 1 . . . . 48 THR HB . 16493 1 166 . 1 1 26 26 THR HG21 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16493 1 167 . 1 1 26 26 THR HG22 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16493 1 168 . 1 1 26 26 THR HG23 H 1 1.35 0.01 . 1 . . . . 48 THR HG2 . 16493 1 169 . 1 1 27 27 ARG H H 1 9.06 0.01 . 1 . . . . 49 ARG HN . 16493 1 170 . 1 1 27 27 ARG HA H 1 4.66 0.01 . 1 . . . . 49 ARG HA . 16493 1 171 . 1 1 27 27 ARG HB2 H 1 2.18 0.01 . 2 . . . . 49 ARG HB2 . 16493 1 172 . 1 1 27 27 ARG HB3 H 1 1.74 0.01 . 2 . . . . 49 ARG HB3 . 16493 1 173 . 1 1 28 28 ASP H H 1 8.46 0.01 . 1 . . . . 50 ASP HN . 16493 1 174 . 1 1 28 28 ASP HA H 1 4.65 0.01 . 1 . . . . 50 ASP HA . 16493 1 175 . 1 1 28 28 ASP HB2 H 1 3.22 0.01 . 2 . . . . 50 ASP HB2 . 16493 1 176 . 1 1 28 28 ASP HB3 H 1 2.64 0.01 . 2 . . . . 50 ASP HB3 . 16493 1 177 . 1 1 29 29 ARG H H 1 8.44 0.01 . 1 . . . . 51 ARG HN . 16493 1 178 . 1 1 29 29 ARG HA H 1 3.59 0.01 . 1 . . . . 51 ARG HA . 16493 1 179 . 1 1 29 29 ARG HB2 H 1 1.77 0.01 . 2 . . . . 51 ARG HB2 . 16493 1 180 . 1 1 29 29 ARG HB3 H 1 1.72 0.01 . 2 . . . . 51 ARG HB3 . 16493 1 181 . 1 1 29 29 ARG HD2 H 1 3.12 0.01 . 2 . . . . 51 ARG HD2 . 16493 1 182 . 1 1 29 29 ARG HD3 H 1 3.12 0.01 . 2 . . . . 51 ARG HD3 . 16493 1 183 . 1 1 29 29 ARG HE H 1 7.06 0.01 . 1 . . . . 51 ARG HE . 16493 1 184 . 1 1 29 29 ARG HG2 H 1 1.32 0.01 . 2 . . . . 51 ARG HG2 . 16493 1 185 . 1 1 29 29 ARG HG3 H 1 1.32 0.01 . 2 . . . . 51 ARG HG3 . 16493 1 186 . 1 1 30 30 SER H H 1 8.49 0.01 . 1 . . . . 52 SER HN . 16493 1 187 . 1 1 30 30 SER HA H 1 4.38 0.01 . 1 . . . . 52 SER HA . 16493 1 188 . 1 1 30 30 SER HB2 H 1 4.01 0.01 . 2 . . . . 52 SER HB2 . 16493 1 189 . 1 1 30 30 SER HB3 H 1 3.84 0.01 . 2 . . . . 52 SER HB3 . 16493 1 190 . 1 1 31 31 ASP H H 1 7.20 0.01 . 1 . . . . 53 ASP HN . 16493 1 191 . 1 1 31 31 ASP HA H 1 4.27 0.01 . 1 . . . . 53 ASP HA . 16493 1 192 . 1 1 31 31 ASP HB2 H 1 2.78 0.01 . 2 . . . . 53 ASP HB2 . 16493 1 193 . 1 1 31 31 ASP HB3 H 1 2.70 0.01 . 2 . . . . 53 ASP HB3 . 16493 1 194 . 1 1 32 32 GLN H H 1 8.92 0.01 . 1 . . . . 54 GLN HN . 16493 1 195 . 1 1 32 32 GLN HA H 1 4.03 0.01 . 1 . . . . 54 GLN HA . 16493 1 196 . 1 1 32 32 GLN HB2 H 1 1.78 0.01 . 2 . . . . 54 GLN HB2 . 16493 1 197 . 1 1 32 32 GLN HB3 H 1 1.48 0.01 . 2 . . . . 54 GLN HB3 . 16493 1 198 . 1 1 32 32 GLN HG2 H 1 2.08 0.01 . 2 . . . . 54 GLN HG2 . 16493 1 199 . 1 1 32 32 GLN HG3 H 1 2.08 0.01 . 2 . . . . 54 GLN HG3 . 16493 1 200 . 1 1 33 33 HIS H H 1 9.78 0.01 . 1 . . . . 55 HIS HN . 16493 1 201 . 1 1 33 33 HIS HA H 1 4.84 0.01 . 1 . . . . 55 HIS HA . 16493 1 202 . 1 1 33 33 HIS HB2 H 1 3.92 0.01 . 2 . . . . 55 HIS HB2 . 16493 1 203 . 1 1 33 33 HIS HB3 H 1 3.01 0.01 . 2 . . . . 55 HIS HB3 . 16493 1 204 . 1 1 33 33 HIS HD1 H 1 7.19 0.01 . 1 . . . . 55 HIS HD1 . 16493 1 205 . 1 1 33 33 HIS HE2 H 1 8.16 0.01 . 1 . . . . 55 HIS HE2 . 16493 1 206 . 1 1 34 34 ILE H H 1 6.81 0.01 . 1 . . . . 56 ILE HN . 16493 1 207 . 1 1 34 34 ILE HA H 1 5.11 0.01 . 1 . . . . 56 ILE HA . 16493 1 208 . 1 1 34 34 ILE HB H 1 2.42 0.01 . 1 . . . . 56 ILE HB . 16493 1 209 . 1 1 34 34 ILE HD11 H 1 0.59 0.01 . 1 . . . . 56 ILE HD1 . 16493 1 210 . 1 1 34 34 ILE HD12 H 1 0.59 0.01 . 1 . . . . 56 ILE HD1 . 16493 1 211 . 1 1 34 34 ILE HD13 H 1 0.59 0.01 . 1 . . . . 56 ILE HD1 . 16493 1 212 . 1 1 34 34 ILE HG12 H 1 1.53 0.01 . 2 . . . . 56 ILE HG12 . 16493 1 213 . 1 1 34 34 ILE HG21 H 1 0.82 0.01 . 1 . . . . 56 ILE HG2 . 16493 1 214 . 1 1 34 34 ILE HG22 H 1 0.82 0.01 . 1 . . . . 56 ILE HG2 . 16493 1 215 . 1 1 34 34 ILE HG23 H 1 0.82 0.01 . 1 . . . . 56 ILE HG2 . 16493 1 216 . 1 1 35 35 GLN H H 1 7.16 0.01 . 1 . . . . 57 GLN HN . 16493 1 217 . 1 1 35 35 GLN HA H 1 4.25 0.01 . 1 . . . . 57 GLN HA . 16493 1 218 . 1 1 36 36 LEU H H 1 9.28 0.01 . 1 . . . . 58 LEU HN . 16493 1 219 . 1 1 36 36 LEU HA H 1 5.32 0.01 . 1 . . . . 58 LEU HA . 16493 1 220 . 1 1 36 36 LEU HB2 H 1 1.60 0.01 . 2 . . . . 58 LEU HB2 . 16493 1 221 . 1 1 36 36 LEU HB3 H 1 1.02 0.01 . 2 . . . . 58 LEU HB3 . 16493 1 222 . 1 1 36 36 LEU HD11 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16493 1 223 . 1 1 36 36 LEU HD12 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16493 1 224 . 1 1 36 36 LEU HD13 H 1 0.72 0.01 . 2 . . . . 58 LEU HD1 . 16493 1 225 . 1 1 36 36 LEU HD21 H 1 0.59 0.01 . 2 . . . . 58 LEU HD2 . 16493 1 226 . 1 1 36 36 LEU HD22 H 1 0.59 0.01 . 2 . . . . 58 LEU HD2 . 16493 1 227 . 1 1 36 36 LEU HD23 H 1 0.59 0.01 . 2 . . . . 58 LEU HD2 . 16493 1 228 . 1 1 36 36 LEU HG H 1 1.93 0.01 . 1 . . . . 58 LEU HG . 16493 1 229 . 1 1 37 37 GLN H H 1 9.64 0.01 . 1 . . . . 59 GLN HN . 16493 1 230 . 1 1 37 37 GLN HA H 1 4.64 0.01 . 1 . . . . 59 GLN HA . 16493 1 231 . 1 1 37 37 GLN HB2 H 1 1.90 0.01 . 2 . . . . 59 GLN HB2 . 16493 1 232 . 1 1 37 37 GLN HB3 H 1 1.74 0.01 . 2 . . . . 59 GLN HB3 . 16493 1 233 . 1 1 37 37 GLN HG2 H 1 2.14 0.01 . 2 . . . . 59 GLN HG2 . 16493 1 234 . 1 1 37 37 GLN HG3 H 1 2.14 0.01 . 2 . . . . 59 GLN HG3 . 16493 1 235 . 1 1 38 38 LEU H H 1 8.84 0.01 . 1 . . . . 60 LEU HN . 16493 1 236 . 1 1 38 38 LEU HA H 1 5.44 0.01 . 1 . . . . 60 LEU HA . 16493 1 237 . 1 1 38 38 LEU HB2 H 1 1.68 0.01 . 2 . . . . 60 LEU HB2 . 16493 1 238 . 1 1 38 38 LEU HB3 H 1 1.58 0.01 . 2 . . . . 60 LEU HB3 . 16493 1 239 . 1 1 38 38 LEU HD11 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16493 1 240 . 1 1 38 38 LEU HD12 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16493 1 241 . 1 1 38 38 LEU HD13 H 1 0.87 0.01 . 2 . . . . 60 LEU HD1 . 16493 1 242 . 1 1 38 38 LEU HD21 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16493 1 243 . 1 1 38 38 LEU HD22 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16493 1 244 . 1 1 38 38 LEU HD23 H 1 0.80 0.01 . 2 . . . . 60 LEU HD2 . 16493 1 245 . 1 1 38 38 LEU HG H 1 1.68 0.01 . 1 . . . . 60 LEU HG . 16493 1 246 . 1 1 39 39 SER H H 1 8.84 0.01 . 1 . . . . 61 SER HN . 16493 1 247 . 1 1 39 39 SER HA H 1 4.78 0.01 . 1 . . . . 61 SER HA . 16493 1 248 . 1 1 39 39 SER HB2 H 1 3.94 0.01 . 2 . . . . 61 SER HB2 . 16493 1 249 . 1 1 39 39 SER HB3 H 1 3.86 0.01 . 2 . . . . 61 SER HB3 . 16493 1 250 . 1 1 40 40 ALA H H 1 8.70 0.01 . 1 . . . . 62 ALA HN . 16493 1 251 . 1 1 40 40 ALA HA H 1 5.09 0.01 . 1 . . . . 62 ALA HA . 16493 1 252 . 1 1 40 40 ALA HB1 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16493 1 253 . 1 1 40 40 ALA HB2 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16493 1 254 . 1 1 40 40 ALA HB3 H 1 1.44 0.01 . 1 . . . . 62 ALA HB . 16493 1 255 . 1 1 41 41 GLU H H 1 8.60 0.01 . 1 . . . . 63 GLU HN . 16493 1 256 . 1 1 41 41 GLU HA H 1 4.45 0.01 . 1 . . . . 63 GLU HA . 16493 1 257 . 1 1 41 41 GLU HB2 H 1 2.00 0.01 . 2 . . . . 63 GLU HB2 . 16493 1 258 . 1 1 41 41 GLU HB3 H 1 1.80 0.01 . 2 . . . . 63 GLU HB3 . 16493 1 259 . 1 1 41 41 GLU HG2 H 1 2.22 0.01 . 2 . . . . 63 GLU HG2 . 16493 1 260 . 1 1 41 41 GLU HG3 H 1 2.07 0.01 . 2 . . . . 63 GLU HG3 . 16493 1 261 . 1 1 42 42 SER H H 1 8.16 0.01 . 1 . . . . 64 SER HN . 16493 1 262 . 1 1 42 42 SER HA H 1 4.52 0.01 . 1 . . . . 64 SER HA . 16493 1 263 . 1 1 42 42 SER HB2 H 1 3.81 0.01 . 2 . . . . 64 SER HB2 . 16493 1 264 . 1 1 42 42 SER HB3 H 1 3.70 0.01 . 2 . . . . 64 SER HB3 . 16493 1 265 . 1 1 43 43 VAL H H 1 8.20 0.01 . 1 . . . . 65 VAL HN . 16493 1 266 . 1 1 43 43 VAL HA H 1 3.84 0.01 . 1 . . . . 65 VAL HA . 16493 1 267 . 1 1 43 43 VAL HB H 1 2.04 0.01 . 1 . . . . 65 VAL HB . 16493 1 268 . 1 1 43 43 VAL HG11 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16493 1 269 . 1 1 43 43 VAL HG12 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16493 1 270 . 1 1 43 43 VAL HG13 H 1 1.08 0.01 . 2 . . . . 65 VAL HG1 . 16493 1 271 . 1 1 43 43 VAL HG21 H 1 0.99 0.01 . 2 . . . . 65 VAL HG2 . 16493 1 272 . 1 1 43 43 VAL HG22 H 1 0.99 0.01 . 2 . . . . 65 VAL HG2 . 16493 1 273 . 1 1 43 43 VAL HG23 H 1 0.99 0.01 . 2 . . . . 65 VAL HG2 . 16493 1 274 . 1 1 44 44 GLY H H 1 8.92 0.01 . 1 . . . . 66 GLY HN . 16493 1 275 . 1 1 44 44 GLY HA2 H 1 4.30 0.01 . 2 . . . . 66 GLY HA1 . 16493 1 276 . 1 1 44 44 GLY HA3 H 1 3.98 0.01 . 2 . . . . 66 GLY HA2 . 16493 1 277 . 1 1 45 45 GLU H H 1 8.14 0.01 . 1 . . . . 67 GLU HN . 16493 1 278 . 1 1 45 45 GLU HA H 1 5.44 0.01 . 1 . . . . 67 GLU HA . 16493 1 279 . 1 1 45 45 GLU HB2 H 1 1.87 0.01 . 2 . . . . 67 GLU HB2 . 16493 1 280 . 1 1 45 45 GLU HB3 H 1 1.80 0.01 . 2 . . . . 67 GLU HB3 . 16493 1 281 . 1 1 45 45 GLU HG2 H 1 2.11 0.01 . 2 . . . . 67 GLU HG2 . 16493 1 282 . 1 1 45 45 GLU HG3 H 1 2.00 0.01 . 2 . . . . 67 GLU HG3 . 16493 1 283 . 1 1 46 46 VAL H H 1 9.67 0.01 . 1 . . . . 68 VAL HN . 16493 1 284 . 1 1 46 46 VAL HA H 1 5.50 0.01 . 1 . . . . 68 VAL HA . 16493 1 285 . 1 1 46 46 VAL HB H 1 2.27 0.01 . 1 . . . . 68 VAL HB . 16493 1 286 . 1 1 46 46 VAL HG11 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16493 1 287 . 1 1 46 46 VAL HG12 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16493 1 288 . 1 1 46 46 VAL HG13 H 1 0.98 0.01 . 2 . . . . 68 VAL HG1 . 16493 1 289 . 1 1 46 46 VAL HG21 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16493 1 290 . 1 1 46 46 VAL HG22 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16493 1 291 . 1 1 46 46 VAL HG23 H 1 0.91 0.01 . 2 . . . . 68 VAL HG2 . 16493 1 292 . 1 1 47 47 TYR H H 1 8.53 0.01 . 1 . . . . 69 TYR HN . 16493 1 293 . 1 1 47 47 TYR HA H 1 5.31 0.01 . 1 . . . . 69 TYR HA . 16493 1 294 . 1 1 47 47 TYR HB2 H 1 3.28 0.01 . 2 . . . . 69 TYR HB2 . 16493 1 295 . 1 1 47 47 TYR HB3 H 1 3.02 0.01 . 2 . . . . 69 TYR HB3 . 16493 1 296 . 1 1 47 47 TYR HD1 H 1 7.20 0.01 . 3 . . . . 69 TYR HD1 . 16493 1 297 . 1 1 47 47 TYR HD2 H 1 7.20 0.01 . 3 . . . . 69 TYR HD2 . 16493 1 298 . 1 1 47 47 TYR HE1 H 1 6.58 0.01 . 3 . . . . 69 TYR HE1 . 16493 1 299 . 1 1 47 47 TYR HE2 H 1 6.58 0.01 . 3 . . . . 69 TYR HE2 . 16493 1 300 . 1 1 48 48 ILE H H 1 10.64 0.01 . 1 . . . . 70 ILE HN . 16493 1 301 . 1 1 48 48 ILE HA H 1 4.38 0.01 . 1 . . . . 70 ILE HA . 16493 1 302 . 1 1 48 48 ILE HB H 1 1.60 0.01 . 1 . . . . 70 ILE HB . 16493 1 303 . 1 1 48 48 ILE HD11 H 1 -0.22 0.01 . 1 . . . . 70 ILE HD1 . 16493 1 304 . 1 1 48 48 ILE HD12 H 1 -0.22 0.01 . 1 . . . . 70 ILE HD1 . 16493 1 305 . 1 1 48 48 ILE HD13 H 1 -0.22 0.01 . 1 . . . . 70 ILE HD1 . 16493 1 306 . 1 1 48 48 ILE HG12 H 1 1.38 0.01 . 2 . . . . 70 ILE HG12 . 16493 1 307 . 1 1 48 48 ILE HG13 H 1 0.52 0.01 . 2 . . . . 70 ILE HG13 . 16493 1 308 . 1 1 48 48 ILE HG21 H 1 0.48 0.01 . 1 . . . . 70 ILE HG2 . 16493 1 309 . 1 1 48 48 ILE HG22 H 1 0.48 0.01 . 1 . . . . 70 ILE HG2 . 16493 1 310 . 1 1 48 48 ILE HG23 H 1 0.48 0.01 . 1 . . . . 70 ILE HG2 . 16493 1 311 . 1 1 49 49 LYS H H 1 8.62 0.01 . 1 . . . . 71 LYS HN . 16493 1 312 . 1 1 49 49 LYS HA H 1 4.99 0.01 . 1 . . . . 71 LYS HA . 16493 1 313 . 1 1 49 49 LYS HB2 H 1 1.30 0.01 . 2 . . . . 71 LYS HB2 . 16493 1 314 . 1 1 49 49 LYS HB3 H 1 1.12 0.01 . 2 . . . . 71 LYS HB3 . 16493 1 315 . 1 1 49 49 LYS HD2 H 1 1.20 0.01 . 2 . . . . 71 LYS HD2 . 16493 1 316 . 1 1 49 49 LYS HD3 H 1 1.20 0.01 . 2 . . . . 71 LYS HD3 . 16493 1 317 . 1 1 49 49 LYS HE2 H 1 2.63 0.01 . 2 . . . . 71 LYS HE2 . 16493 1 318 . 1 1 49 49 LYS HE3 H 1 2.50 0.01 . 2 . . . . 71 LYS HE3 . 16493 1 319 . 1 1 49 49 LYS HG2 H 1 0.67 0.01 . 2 . . . . 71 LYS HG2 . 16493 1 320 . 1 1 49 49 LYS HG3 H 1 0.32 0.01 . 2 . . . . 71 LYS HG3 . 16493 1 321 . 1 1 50 50 SER H H 1 9.03 0.01 . 1 . . . . 72 SER HN . 16493 1 322 . 1 1 50 50 SER HA H 1 4.67 0.01 . 1 . . . . 72 SER HA . 16493 1 323 . 1 1 50 50 SER HB2 H 1 3.88 0.01 . 2 . . . . 72 SER HB2 . 16493 1 324 . 1 1 50 50 SER HB3 H 1 3.11 0.01 . 2 . . . . 72 SER HB3 . 16493 1 325 . 1 1 51 51 THR H H 1 8.50 0.01 . 1 . . . . 73 THR HN . 16493 1 326 . 1 1 51 51 THR HA H 1 3.99 0.01 . 1 . . . . 73 THR HA . 16493 1 327 . 1 1 51 51 THR HB H 1 4.17 0.01 . 1 . . . . 73 THR HB . 16493 1 328 . 1 1 51 51 THR HG21 H 1 1.17 0.01 . 1 . . . . 73 THR HG2 . 16493 1 329 . 1 1 51 51 THR HG22 H 1 1.17 0.01 . 1 . . . . 73 THR HG2 . 16493 1 330 . 1 1 51 51 THR HG23 H 1 1.17 0.01 . 1 . . . . 73 THR HG2 . 16493 1 331 . 1 1 52 52 GLU H H 1 8.49 0.01 . 1 . . . . 74 GLU HN . 16493 1 332 . 1 1 52 52 GLU HA H 1 4.29 0.01 . 1 . . . . 74 GLU HA . 16493 1 333 . 1 1 52 52 GLU HB2 H 1 1.81 0.01 . 2 . . . . 74 GLU HB2 . 16493 1 334 . 1 1 52 52 GLU HB3 H 1 1.81 0.01 . 2 . . . . 74 GLU HB3 . 16493 1 335 . 1 1 52 52 GLU HG2 H 1 2.18 0.01 . 2 . . . . 74 GLU HG2 . 16493 1 336 . 1 1 52 52 GLU HG3 H 1 2.18 0.01 . 2 . . . . 74 GLU HG3 . 16493 1 337 . 1 1 53 53 THR H H 1 7.82 0.01 . 1 . . . . 75 THR HN . 16493 1 338 . 1 1 53 53 THR HA H 1 4.68 0.01 . 1 . . . . 75 THR HA . 16493 1 339 . 1 1 53 53 THR HB H 1 4.53 0.01 . 1 . . . . 75 THR HB . 16493 1 340 . 1 1 53 53 THR HG21 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16493 1 341 . 1 1 53 53 THR HG22 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16493 1 342 . 1 1 53 53 THR HG23 H 1 1.28 0.01 . 1 . . . . 75 THR HG2 . 16493 1 343 . 1 1 54 54 GLY H H 1 7.77 0.01 . 1 . . . . 76 GLY HN . 16493 1 344 . 1 1 54 54 GLY HA2 H 1 4.14 0.01 . 2 . . . . 76 GLY HA1 . 16493 1 345 . 1 1 54 54 GLY HA3 H 1 3.60 0.01 . 2 . . . . 76 GLY HA2 . 16493 1 346 . 1 1 55 55 GLN H H 1 7.30 0.01 . 1 . . . . 77 GLN HN . 16493 1 347 . 1 1 55 55 GLN HA H 1 4.30 0.01 . 1 . . . . 77 GLN HA . 16493 1 348 . 1 1 55 55 GLN HB2 H 1 1.55 0.01 . 2 . . . . 77 GLN HB2 . 16493 1 349 . 1 1 55 55 GLN HB3 H 1 1.55 0.01 . 2 . . . . 77 GLN HB3 . 16493 1 350 . 1 1 56 56 TYR H H 1 9.38 0.01 . 1 . . . . 78 TYR HN . 16493 1 351 . 1 1 56 56 TYR HA H 1 4.80 0.01 . 1 . . . . 78 TYR HA . 16493 1 352 . 1 1 56 56 TYR HB3 H 1 2.82 0.01 . 2 . . . . 78 TYR HB3 . 16493 1 353 . 1 1 56 56 TYR HD1 H 1 7.10 0.01 . 3 . . . . 78 TYR HD1 . 16493 1 354 . 1 1 56 56 TYR HD2 H 1 7.10 0.01 . 3 . . . . 78 TYR HD2 . 16493 1 355 . 1 1 56 56 TYR HE1 H 1 6.50 0.01 . 3 . . . . 78 TYR HE1 . 16493 1 356 . 1 1 56 56 TYR HE2 H 1 6.50 0.01 . 3 . . . . 78 TYR HE2 . 16493 1 357 . 1 1 57 57 LEU H H 1 9.24 0.01 . 1 . . . . 79 LEU HN . 16493 1 358 . 1 1 57 57 LEU HA H 1 4.13 0.01 . 1 . . . . 79 LEU HA . 16493 1 359 . 1 1 57 57 LEU HB2 H 1 1.96 0.01 . 2 . . . . 79 LEU HB2 . 16493 1 360 . 1 1 57 57 LEU HB3 H 1 1.03 0.01 . 2 . . . . 79 LEU HB3 . 16493 1 361 . 1 1 57 57 LEU HD21 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16493 1 362 . 1 1 57 57 LEU HD22 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16493 1 363 . 1 1 57 57 LEU HD23 H 1 0.19 0.01 . 2 . . . . 79 LEU HD2 . 16493 1 364 . 1 1 57 57 LEU HG H 1 1.64 0.01 . 1 . . . . 79 LEU HG . 16493 1 365 . 1 1 58 58 ALA H H 1 8.76 0.01 . 1 . . . . 80 ALA HN . 16493 1 366 . 1 1 58 58 ALA HA H 1 5.12 0.01 . 1 . . . . 80 ALA HA . 16493 1 367 . 1 1 58 58 ALA HB1 H 1 0.61 0.01 . 1 . . . . 80 ALA HB . 16493 1 368 . 1 1 58 58 ALA HB2 H 1 0.61 0.01 . 1 . . . . 80 ALA HB . 16493 1 369 . 1 1 58 58 ALA HB3 H 1 0.61 0.01 . 1 . . . . 80 ALA HB . 16493 1 370 . 1 1 59 59 MET H H 1 7.62 0.01 . 1 . . . . 81 MET HN . 16493 1 371 . 1 1 59 59 MET HA H 1 5.52 0.01 . 1 . . . . 81 MET HA . 16493 1 372 . 1 1 59 59 MET HB2 H 1 2.48 0.01 . 2 . . . . 81 MET HB2 . 16493 1 373 . 1 1 59 59 MET HB3 H 1 2.40 0.01 . 2 . . . . 81 MET HB3 . 16493 1 374 . 1 1 59 59 MET HG2 H 1 2.63 0.01 . 2 . . . . 81 MET HG2 . 16493 1 375 . 1 1 59 59 MET HG3 H 1 2.20 0.01 . 2 . . . . 81 MET HG3 . 16493 1 376 . 1 1 60 60 ASP H H 1 9.27 0.01 . 1 . . . . 82 ASP HN . 16493 1 377 . 1 1 60 60 ASP HA H 1 5.05 0.01 . 1 . . . . 82 ASP HA . 16493 1 378 . 1 1 60 60 ASP HB2 H 1 3.57 0.01 . 2 . . . . 82 ASP HB2 . 16493 1 379 . 1 1 60 60 ASP HB3 H 1 2.86 0.01 . 2 . . . . 82 ASP HB3 . 16493 1 380 . 1 1 61 61 THR H H 1 8.07 0.01 . 1 . . . . 83 THR HN . 16493 1 381 . 1 1 61 61 THR HA H 1 4.14 0.01 . 1 . . . . 83 THR HA . 16493 1 382 . 1 1 61 61 THR HB H 1 4.50 0.01 . 1 . . . . 83 THR HB . 16493 1 383 . 1 1 61 61 THR HG21 H 1 1.45 0.01 . 1 . . . . 83 THR HG2 . 16493 1 384 . 1 1 61 61 THR HG22 H 1 1.45 0.01 . 1 . . . . 83 THR HG2 . 16493 1 385 . 1 1 61 61 THR HG23 H 1 1.45 0.01 . 1 . . . . 83 THR HG2 . 16493 1 386 . 1 1 62 62 ASP H H 1 8.46 0.01 . 1 . . . . 84 ASP HN . 16493 1 387 . 1 1 62 62 ASP HA H 1 4.96 0.01 . 1 . . . . 84 ASP HA . 16493 1 388 . 1 1 62 62 ASP HB2 H 1 2.74 0.01 . 2 . . . . 84 ASP HB2 . 16493 1 389 . 1 1 62 62 ASP HB3 H 1 2.74 0.01 . 2 . . . . 84 ASP HB3 . 16493 1 390 . 1 1 63 63 GLY H H 1 8.35 0.01 . 1 . . . . 85 GLY HN . 16493 1 391 . 1 1 63 63 GLY HA2 H 1 3.63 0.01 . 2 . . . . 85 GLY HA1 . 16493 1 392 . 1 1 63 63 GLY HA3 H 1 3.32 0.01 . 2 . . . . 85 GLY HA2 . 16493 1 393 . 1 1 64 64 LEU H H 1 8.75 0.01 . 1 . . . . 86 LEU HN . 16493 1 394 . 1 1 64 64 LEU HA H 1 4.53 0.01 . 1 . . . . 86 LEU HA . 16493 1 395 . 1 1 64 64 LEU HB2 H 1 2.06 0.01 . 2 . . . . 86 LEU HB2 . 16493 1 396 . 1 1 64 64 LEU HB3 H 1 1.53 0.01 . 2 . . . . 86 LEU HB3 . 16493 1 397 . 1 1 64 64 LEU HD11 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16493 1 398 . 1 1 64 64 LEU HD12 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16493 1 399 . 1 1 64 64 LEU HD13 H 1 1.00 0.01 . 2 . . . . 86 LEU HD1 . 16493 1 400 . 1 1 64 64 LEU HD21 H 1 0.91 0.01 . 2 . . . . 86 LEU HD2 . 16493 1 401 . 1 1 64 64 LEU HD22 H 1 0.91 0.01 . 2 . . . . 86 LEU HD2 . 16493 1 402 . 1 1 64 64 LEU HD23 H 1 0.91 0.01 . 2 . . . . 86 LEU HD2 . 16493 1 403 . 1 1 64 64 LEU HG H 1 1.74 0.01 . 1 . . . . 86 LEU HG . 16493 1 404 . 1 1 65 65 LEU H H 1 7.58 0.01 . 1 . . . . 87 LEU HN . 16493 1 405 . 1 1 65 65 LEU HA H 1 5.72 0.01 . 1 . . . . 87 LEU HA . 16493 1 406 . 1 1 65 65 LEU HB2 H 1 1.96 0.01 . 2 . . . . 87 LEU HB2 . 16493 1 407 . 1 1 65 65 LEU HB3 H 1 1.44 0.01 . 2 . . . . 87 LEU HB3 . 16493 1 408 . 1 1 65 65 LEU HD11 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16493 1 409 . 1 1 65 65 LEU HD12 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16493 1 410 . 1 1 65 65 LEU HD13 H 1 1.11 0.01 . 2 . . . . 87 LEU HD1 . 16493 1 411 . 1 1 65 65 LEU HD21 H 1 1.02 0.01 . 2 . . . . 87 LEU HD2 . 16493 1 412 . 1 1 65 65 LEU HD22 H 1 1.02 0.01 . 2 . . . . 87 LEU HD2 . 16493 1 413 . 1 1 65 65 LEU HD23 H 1 1.02 0.01 . 2 . . . . 87 LEU HD2 . 16493 1 414 . 1 1 65 65 LEU HG H 1 2.22 0.01 . 1 . . . . 87 LEU HG . 16493 1 415 . 1 1 66 66 TYR H H 1 9.34 0.01 . 1 . . . . 88 TYR HN . 16493 1 416 . 1 1 66 66 TYR HA H 1 5.01 0.01 . 1 . . . . 88 TYR HA . 16493 1 417 . 1 1 66 66 TYR HB2 H 1 3.09 0.01 . 2 . . . . 88 TYR HB2 . 16493 1 418 . 1 1 66 66 TYR HB3 H 1 3.09 0.01 . 2 . . . . 88 TYR HB3 . 16493 1 419 . 1 1 66 66 TYR HD1 H 1 7.14 0.01 . 3 . . . . 88 TYR HD1 . 16493 1 420 . 1 1 66 66 TYR HD2 H 1 7.14 0.01 . 3 . . . . 88 TYR HD2 . 16493 1 421 . 1 1 66 66 TYR HE1 H 1 6.57 0.01 . 3 . . . . 88 TYR HE1 . 16493 1 422 . 1 1 66 66 TYR HE2 H 1 6.57 0.01 . 3 . . . . 88 TYR HE2 . 16493 1 423 . 1 1 67 67 GLY H H 1 8.44 0.01 . 1 . . . . 89 GLY HN . 16493 1 424 . 1 1 67 67 GLY HA2 H 1 4.68 0.01 . 2 . . . . 89 GLY HA1 . 16493 1 425 . 1 1 68 68 SER H H 1 9.72 0.01 . 1 . . . . 90 SER HN . 16493 1 426 . 1 1 68 68 SER HA H 1 4.97 0.01 . 1 . . . . 90 SER HA . 16493 1 427 . 1 1 68 68 SER HB2 H 1 3.90 0.01 . 2 . . . . 90 SER HB2 . 16493 1 428 . 1 1 68 68 SER HB3 H 1 3.54 0.01 . 2 . . . . 90 SER HB3 . 16493 1 429 . 1 1 69 69 GLN H H 1 9.45 0.01 . 1 . . . . 91 GLN HN . 16493 1 430 . 1 1 69 69 GLN HA H 1 4.27 0.01 . 1 . . . . 91 GLN HA . 16493 1 431 . 1 1 69 69 GLN HB2 H 1 2.32 0.01 . 2 . . . . 91 GLN HB2 . 16493 1 432 . 1 1 69 69 GLN HB3 H 1 2.20 0.01 . 2 . . . . 91 GLN HB3 . 16493 1 433 . 1 1 69 69 GLN HE21 H 1 7.61 0.01 . 2 . . . . 91 GLN HE21 . 16493 1 434 . 1 1 69 69 GLN HE22 H 1 6.97 0.01 . 2 . . . . 91 GLN HE22 . 16493 1 435 . 1 1 69 69 GLN HG2 H 1 2.64 0.01 . 2 . . . . 91 GLN HG2 . 16493 1 436 . 1 1 69 69 GLN HG3 H 1 2.54 0.01 . 2 . . . . 91 GLN HG3 . 16493 1 437 . 1 1 70 70 THR H H 1 7.64 0.01 . 1 . . . . 92 THR HN . 16493 1 438 . 1 1 70 70 THR HA H 1 4.84 0.01 . 1 . . . . 92 THR HA . 16493 1 439 . 1 1 70 70 THR HB H 1 4.10 0.01 . 1 . . . . 92 THR HB . 16493 1 440 . 1 1 70 70 THR HG21 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16493 1 441 . 1 1 70 70 THR HG22 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16493 1 442 . 1 1 70 70 THR HG23 H 1 1.20 0.01 . 1 . . . . 92 THR HG2 . 16493 1 443 . 1 1 71 71 PRO HA H 1 4.14 0.01 . 1 . . . . 93 PRO HA . 16493 1 444 . 1 1 71 71 PRO HB2 H 1 0.32 0.01 . 2 . . . . 93 PRO HB2 . 16493 1 445 . 1 1 71 71 PRO HB3 H 1 1.84 0.01 . 2 . . . . 93 PRO HB3 . 16493 1 446 . 1 1 71 71 PRO HD2 H 1 3.64 0.01 . 2 . . . . 93 PRO HD2 . 16493 1 447 . 1 1 71 71 PRO HD3 H 1 3.43 0.01 . 2 . . . . 93 PRO HD3 . 16493 1 448 . 1 1 71 71 PRO HG2 H 1 1.84 0.01 . 2 . . . . 93 PRO HG2 . 16493 1 449 . 1 1 71 71 PRO HG3 H 1 1.46 0.01 . 2 . . . . 93 PRO HG3 . 16493 1 450 . 1 1 72 72 ASN H H 1 7.44 0.01 . 1 . . . . 94 ASN HN . 16493 1 451 . 1 1 72 72 ASN HA H 1 4.75 0.01 . 1 . . . . 94 ASN HA . 16493 1 452 . 1 1 72 72 ASN HB2 H 1 3.18 0.01 . 2 . . . . 94 ASN HB2 . 16493 1 453 . 1 1 72 72 ASN HB3 H 1 2.97 0.01 . 2 . . . . 94 ASN HB3 . 16493 1 454 . 1 1 73 73 GLU H H 1 9.02 0.01 . 1 . . . . 95 GLU HN . 16493 1 455 . 1 1 73 73 GLU HA H 1 4.14 0.01 . 1 . . . . 95 GLU HA . 16493 1 456 . 1 1 73 73 GLU HB2 H 1 2.28 0.01 . 2 . . . . 95 GLU HB2 . 16493 1 457 . 1 1 73 73 GLU HB3 H 1 2.12 0.01 . 2 . . . . 95 GLU HB3 . 16493 1 458 . 1 1 73 73 GLU HG2 H 1 2.36 0.01 . 2 . . . . 95 GLU HG2 . 16493 1 459 . 1 1 73 73 GLU HG3 H 1 2.36 0.01 . 2 . . . . 95 GLU HG3 . 16493 1 460 . 1 1 74 74 GLU H H 1 8.71 0.01 . 1 . . . . 96 GLU HN . 16493 1 461 . 1 1 74 74 GLU HA H 1 4.20 0.01 . 1 . . . . 96 GLU HA . 16493 1 462 . 1 1 74 74 GLU HB2 H 1 2.53 0.01 . 2 . . . . 96 GLU HB2 . 16493 1 463 . 1 1 74 74 GLU HB3 H 1 2.46 0.01 . 2 . . . . 96 GLU HB3 . 16493 1 464 . 1 1 74 74 GLU HG2 H 1 2.63 0.01 . 2 . . . . 96 GLU HG2 . 16493 1 465 . 1 1 74 74 GLU HG3 H 1 2.28 0.01 . 2 . . . . 96 GLU HG3 . 16493 1 466 . 1 1 75 75 CYS H H 1 7.84 0.01 . 1 . . . . 97 CYS HN . 16493 1 467 . 1 1 75 75 CYS HA H 1 5.43 0.01 . 1 . . . . 97 CYS HA . 16493 1 468 . 1 1 75 75 CYS HB2 H 1 3.70 0.01 . 2 . . . . 97 CYS HB2 . 16493 1 469 . 1 1 75 75 CYS HB3 H 1 3.31 0.01 . 2 . . . . 97 CYS HB3 . 16493 1 470 . 1 1 76 76 LEU H H 1 6.36 0.01 . 1 . . . . 98 LEU HN . 16493 1 471 . 1 1 76 76 LEU HA H 1 4.56 0.01 . 1 . . . . 98 LEU HA . 16493 1 472 . 1 1 76 76 LEU HB2 H 1 1.42 0.01 . 2 . . . . 98 LEU HB2 . 16493 1 473 . 1 1 76 76 LEU HB3 H 1 1.15 0.01 . 2 . . . . 98 LEU HB3 . 16493 1 474 . 1 1 76 76 LEU HD11 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16493 1 475 . 1 1 76 76 LEU HD12 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16493 1 476 . 1 1 76 76 LEU HD13 H 1 0.63 0.01 . 2 . . . . 98 LEU HD1 . 16493 1 477 . 1 1 76 76 LEU HD21 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16493 1 478 . 1 1 76 76 LEU HD22 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16493 1 479 . 1 1 76 76 LEU HD23 H 1 0.39 0.01 . 2 . . . . 98 LEU HD2 . 16493 1 480 . 1 1 76 76 LEU HG H 1 1.27 0.01 . 1 . . . . 98 LEU HG . 16493 1 481 . 1 1 77 77 PHE H H 1 9.17 0.01 . 1 . . . . 99 PHE HN . 16493 1 482 . 1 1 77 77 PHE HA H 1 5.14 0.01 . 1 . . . . 99 PHE HA . 16493 1 483 . 1 1 77 77 PHE HB2 H 1 2.94 0.01 . 2 . . . . 99 PHE HB2 . 16493 1 484 . 1 1 77 77 PHE HB3 H 1 2.80 0.01 . 2 . . . . 99 PHE HB3 . 16493 1 485 . 1 1 77 77 PHE HD1 H 1 7.05 0.01 . 3 . . . . 99 PHE HD1 . 16493 1 486 . 1 1 77 77 PHE HD2 H 1 7.05 0.01 . 3 . . . . 99 PHE HD2 . 16493 1 487 . 1 1 77 77 PHE HE1 H 1 7.15 0.01 . 3 . . . . 99 PHE HE1 . 16493 1 488 . 1 1 77 77 PHE HE2 H 1 7.15 0.01 . 3 . . . . 99 PHE HE2 . 16493 1 489 . 1 1 77 77 PHE HZ H 1 6.80 0.01 . 1 . . . . 99 PHE HZ . 16493 1 490 . 1 1 78 78 LEU H H 1 10.08 0.01 . 1 . . . . 100 LEU HN . 16493 1 491 . 1 1 78 78 LEU HA H 1 5.19 0.01 . 1 . . . . 100 LEU HA . 16493 1 492 . 1 1 78 78 LEU HB2 H 1 1.90 0.01 . 2 . . . . 100 LEU HB2 . 16493 1 493 . 1 1 78 78 LEU HB3 H 1 1.90 0.01 . 2 . . . . 100 LEU HB3 . 16493 1 494 . 1 1 78 78 LEU HD11 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16493 1 495 . 1 1 78 78 LEU HD12 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16493 1 496 . 1 1 78 78 LEU HD13 H 1 0.86 0.01 . 2 . . . . 100 LEU HD1 . 16493 1 497 . 1 1 78 78 LEU HD21 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16493 1 498 . 1 1 78 78 LEU HD22 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16493 1 499 . 1 1 78 78 LEU HD23 H 1 0.86 0.01 . 2 . . . . 100 LEU HD2 . 16493 1 500 . 1 1 78 78 LEU HG H 1 1.52 0.01 . 1 . . . . 100 LEU HG . 16493 1 501 . 1 1 79 79 GLU H H 1 8.30 0.01 . 1 . . . . 101 GLU HN . 16493 1 502 . 1 1 79 79 GLU HA H 1 4.81 0.01 . 1 . . . . 101 GLU HA . 16493 1 503 . 1 1 79 79 GLU HB2 H 1 2.02 0.01 . 2 . . . . 101 GLU HB2 . 16493 1 504 . 1 1 79 79 GLU HB3 H 1 1.78 0.01 . 2 . . . . 101 GLU HB3 . 16493 1 505 . 1 1 79 79 GLU HG2 H 1 1.88 0.01 . 2 . . . . 101 GLU HG2 . 16493 1 506 . 1 1 79 79 GLU HG3 H 1 1.88 0.01 . 2 . . . . 101 GLU HG3 . 16493 1 507 . 1 1 80 80 ARG H H 1 8.94 0.01 . 1 . . . . 102 ARG HN . 16493 1 508 . 1 1 80 80 ARG HA H 1 4.70 0.01 . 1 . . . . 102 ARG HA . 16493 1 509 . 1 1 80 80 ARG HB2 H 1 1.88 0.01 . 2 . . . . 102 ARG HB2 . 16493 1 510 . 1 1 80 80 ARG HB3 H 1 1.82 0.01 . 2 . . . . 102 ARG HB3 . 16493 1 511 . 1 1 80 80 ARG HD2 H 1 3.22 0.01 . 2 . . . . 102 ARG HD2 . 16493 1 512 . 1 1 80 80 ARG HD3 H 1 3.22 0.01 . 2 . . . . 102 ARG HD3 . 16493 1 513 . 1 1 80 80 ARG HE H 1 7.52 0.01 . 1 . . . . 102 ARG HE . 16493 1 514 . 1 1 80 80 ARG HG2 H 1 1.55 0.01 . 2 . . . . 102 ARG HG2 . 16493 1 515 . 1 1 80 80 ARG HG3 H 1 1.48 0.01 . 2 . . . . 102 ARG HG3 . 16493 1 516 . 1 1 81 81 LEU H H 1 8.45 0.01 . 1 . . . . 103 LEU HN . 16493 1 517 . 1 1 81 81 LEU HA H 1 4.83 0.01 . 1 . . . . 103 LEU HA . 16493 1 518 . 1 1 81 81 LEU HB2 H 1 1.74 0.01 . 2 . . . . 103 LEU HB2 . 16493 1 519 . 1 1 81 81 LEU HB3 H 1 1.53 0.01 . 2 . . . . 103 LEU HB3 . 16493 1 520 . 1 1 81 81 LEU HD11 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16493 1 521 . 1 1 81 81 LEU HD12 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16493 1 522 . 1 1 81 81 LEU HD13 H 1 0.87 0.01 . 2 . . . . 103 LEU HD1 . 16493 1 523 . 1 1 81 81 LEU HD21 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16493 1 524 . 1 1 81 81 LEU HD22 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16493 1 525 . 1 1 81 81 LEU HD23 H 1 0.87 0.01 . 2 . . . . 103 LEU HD2 . 16493 1 526 . 1 1 81 81 LEU HG H 1 1.65 0.01 . 1 . . . . 103 LEU HG . 16493 1 527 . 1 1 82 82 GLU H H 1 9.16 0.01 . 1 . . . . 104 GLU HN . 16493 1 528 . 1 1 82 82 GLU HA H 1 4.75 0.01 . 1 . . . . 104 GLU HA . 16493 1 529 . 1 1 82 82 GLU HB2 H 1 2.29 0.01 . 2 . . . . 104 GLU HB2 . 16493 1 530 . 1 1 82 82 GLU HB3 H 1 2.00 0.01 . 2 . . . . 104 GLU HB3 . 16493 1 531 . 1 1 82 82 GLU HG2 H 1 2.36 0.01 . 2 . . . . 104 GLU HG2 . 16493 1 532 . 1 1 82 82 GLU HG3 H 1 2.36 0.01 . 2 . . . . 104 GLU HG3 . 16493 1 533 . 1 1 83 83 GLU H H 1 8.80 0.01 . 1 . . . . 105 GLU HN . 16493 1 534 . 1 1 83 83 GLU HA H 1 4.13 0.01 . 1 . . . . 105 GLU HA . 16493 1 535 . 1 1 83 83 GLU HB2 H 1 2.11 0.01 . 2 . . . . 105 GLU HB2 . 16493 1 536 . 1 1 83 83 GLU HB3 H 1 2.07 0.01 . 2 . . . . 105 GLU HB3 . 16493 1 537 . 1 1 83 83 GLU HG2 H 1 2.36 0.01 . 2 . . . . 105 GLU HG2 . 16493 1 538 . 1 1 83 83 GLU HG3 H 1 2.36 0.01 . 2 . . . . 105 GLU HG3 . 16493 1 539 . 1 1 84 84 ASN H H 1 7.69 0.01 . 1 . . . . 106 ASN HN . 16493 1 540 . 1 1 84 84 ASN HA H 1 4.35 0.01 . 1 . . . . 106 ASN HA . 16493 1 541 . 1 1 84 84 ASN HB2 H 1 3.08 0.01 . 2 . . . . 106 ASN HB2 . 16493 1 542 . 1 1 84 84 ASN HB3 H 1 3.00 0.01 . 2 . . . . 106 ASN HB3 . 16493 1 543 . 1 1 85 85 HIS H H 1 8.24 0.01 . 1 . . . . 107 HIS HN . 16493 1 544 . 1 1 85 85 HIS HA H 1 4.22 0.01 . 1 . . . . 107 HIS HA . 16493 1 545 . 1 1 85 85 HIS HB2 H 1 3.46 0.01 . 2 . . . . 107 HIS HB2 . 16493 1 546 . 1 1 85 85 HIS HB3 H 1 3.34 0.01 . 2 . . . . 107 HIS HB3 . 16493 1 547 . 1 1 85 85 HIS HD2 H 1 7.09 0.01 . 1 . . . . 107 HIS HD2 . 16493 1 548 . 1 1 85 85 HIS HE1 H 1 8.58 0.01 . 1 . . . . 107 HIS HE1 . 16493 1 549 . 1 1 86 86 TYR H H 1 7.64 0.01 . 1 . . . . 108 TYR HN . 16493 1 550 . 1 1 86 86 TYR HA H 1 4.84 0.01 . 1 . . . . 108 TYR HA . 16493 1 551 . 1 1 86 86 TYR HB2 H 1 2.95 0.01 . 2 . . . . 108 TYR HB2 . 16493 1 552 . 1 1 86 86 TYR HB3 H 1 2.95 0.01 . 2 . . . . 108 TYR HB3 . 16493 1 553 . 1 1 86 86 TYR HD1 H 1 7.09 0.01 . 3 . . . . 108 TYR HD1 . 16493 1 554 . 1 1 86 86 TYR HD2 H 1 7.09 0.01 . 3 . . . . 108 TYR HD2 . 16493 1 555 . 1 1 86 86 TYR HE1 H 1 6.84 0.01 . 3 . . . . 108 TYR HE1 . 16493 1 556 . 1 1 86 86 TYR HE2 H 1 6.84 0.01 . 3 . . . . 108 TYR HE2 . 16493 1 557 . 1 1 87 87 ASN H H 1 9.95 0.01 . 1 . . . . 109 ASN HN . 16493 1 558 . 1 1 87 87 ASN HA H 1 5.82 0.01 . 1 . . . . 109 ASN HA . 16493 1 559 . 1 1 87 87 ASN HB2 H 1 2.66 0.01 . 2 . . . . 109 ASN HB2 . 16493 1 560 . 1 1 87 87 ASN HB3 H 1 2.44 0.01 . 2 . . . . 109 ASN HB3 . 16493 1 561 . 1 1 88 88 THR H H 1 8.50 0.01 . 1 . . . . 110 THR HN . 16493 1 562 . 1 1 88 88 THR HA H 1 5.11 0.01 . 1 . . . . 110 THR HA . 16493 1 563 . 1 1 88 88 THR HB H 1 4.56 0.01 . 1 . . . . 110 THR HB . 16493 1 564 . 1 1 88 88 THR HG21 H 1 1.32 0.01 . 1 . . . . 110 THR HG2 . 16493 1 565 . 1 1 88 88 THR HG22 H 1 1.32 0.01 . 1 . . . . 110 THR HG2 . 16493 1 566 . 1 1 88 88 THR HG23 H 1 1.32 0.01 . 1 . . . . 110 THR HG2 . 16493 1 567 . 1 1 89 89 TYR H H 1 10.40 0.01 . 1 . . . . 111 TYR HN . 16493 1 568 . 1 1 89 89 TYR HA H 1 5.44 0.01 . 1 . . . . 111 TYR HA . 16493 1 569 . 1 1 89 89 TYR HB2 H 1 2.48 0.01 . 2 . . . . 111 TYR HB2 . 16493 1 570 . 1 1 89 89 TYR HB3 H 1 2.48 0.01 . 2 . . . . 111 TYR HB3 . 16493 1 571 . 1 1 89 89 TYR HD1 H 1 6.66 0.01 . 3 . . . . 111 TYR HD1 . 16493 1 572 . 1 1 89 89 TYR HD2 H 1 6.66 0.01 . 3 . . . . 111 TYR HD2 . 16493 1 573 . 1 1 89 89 TYR HE1 H 1 6.52 0.01 . 3 . . . . 111 TYR HE1 . 16493 1 574 . 1 1 89 89 TYR HE2 H 1 6.52 0.01 . 3 . . . . 111 TYR HE2 . 16493 1 575 . 1 1 90 90 ILE H H 1 8.85 0.01 . 1 . . . . 112 ILE HN . 16493 1 576 . 1 1 90 90 ILE HA H 1 4.61 0.01 . 1 . . . . 112 ILE HA . 16493 1 577 . 1 1 90 90 ILE HB H 1 1.51 0.01 . 1 . . . . 112 ILE HB . 16493 1 578 . 1 1 90 90 ILE HD11 H 1 0.57 0.01 . 1 . . . . 112 ILE HD1 . 16493 1 579 . 1 1 90 90 ILE HD12 H 1 0.57 0.01 . 1 . . . . 112 ILE HD1 . 16493 1 580 . 1 1 90 90 ILE HD13 H 1 0.57 0.01 . 1 . . . . 112 ILE HD1 . 16493 1 581 . 1 1 90 90 ILE HG12 H 1 1.32 0.01 . 2 . . . . 112 ILE HG12 . 16493 1 582 . 1 1 90 90 ILE HG13 H 1 0.03 0.01 . 2 . . . . 112 ILE HG13 . 16493 1 583 . 1 1 90 90 ILE HG21 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16493 1 584 . 1 1 90 90 ILE HG22 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16493 1 585 . 1 1 90 90 ILE HG23 H 1 0.66 0.01 . 1 . . . . 112 ILE HG2 . 16493 1 586 . 1 1 91 91 SER H H 1 8.34 0.01 . 1 . . . . 113 SER HN . 16493 1 587 . 1 1 91 91 SER HB2 H 1 4.02 0.01 . 2 . . . . 113 SER HB2 . 16493 1 588 . 1 1 91 91 SER HB3 H 1 3.82 0.01 . 2 . . . . 113 SER HB3 . 16493 1 589 . 1 1 92 92 LYS H H 1 8.10 0.01 . 1 . . . . 114 LYS HN . 16493 1 590 . 1 1 92 92 LYS HA H 1 3.77 0.01 . 1 . . . . 114 LYS HA . 16493 1 591 . 1 1 92 92 LYS HB2 H 1 1.74 0.01 . 2 . . . . 114 LYS HB2 . 16493 1 592 . 1 1 92 92 LYS HB3 H 1 1.74 0.01 . 2 . . . . 114 LYS HB3 . 16493 1 593 . 1 1 92 92 LYS HE2 H 1 2.82 0.01 . 2 . . . . 114 LYS HE2 . 16493 1 594 . 1 1 92 92 LYS HE3 H 1 2.82 0.01 . 2 . . . . 114 LYS HE3 . 16493 1 595 . 1 1 92 92 LYS HG2 H 1 1.20 0.01 . 2 . . . . 114 LYS HG2 . 16493 1 596 . 1 1 92 92 LYS HG3 H 1 1.20 0.01 . 2 . . . . 114 LYS HG3 . 16493 1 597 . 1 1 93 93 LYS H H 1 8.75 0.01 . 1 . . . . 115 LYS HN . 16493 1 598 . 1 1 93 93 LYS HA H 1 3.82 0.01 . 1 . . . . 115 LYS HA . 16493 1 599 . 1 1 93 93 LYS HB2 H 1 1.32 0.01 . 2 . . . . 115 LYS HB2 . 16493 1 600 . 1 1 93 93 LYS HB3 H 1 1.14 0.01 . 2 . . . . 115 LYS HB3 . 16493 1 601 . 1 1 93 93 LYS HD2 H 1 1.59 0.01 . 2 . . . . 115 LYS HD2 . 16493 1 602 . 1 1 93 93 LYS HD3 H 1 1.44 0.01 . 2 . . . . 115 LYS HD3 . 16493 1 603 . 1 1 93 93 LYS HE2 H 1 2.92 0.01 . 2 . . . . 115 LYS HE2 . 16493 1 604 . 1 1 93 93 LYS HE3 H 1 2.82 0.01 . 2 . . . . 115 LYS HE3 . 16493 1 605 . 1 1 93 93 LYS HG2 H 1 0.94 0.01 . 2 . . . . 115 LYS HG2 . 16493 1 606 . 1 1 93 93 LYS HG3 H 1 0.60 0.01 . 2 . . . . 115 LYS HG3 . 16493 1 607 . 1 1 94 94 HIS H H 1 7.42 0.01 . 1 . . . . 116 HIS HN . 16493 1 608 . 1 1 94 94 HIS HA H 1 4.59 0.01 . 1 . . . . 116 HIS HA . 16493 1 609 . 1 1 94 94 HIS HB2 H 1 2.58 0.01 . 2 . . . . 116 HIS HB2 . 16493 1 610 . 1 1 94 94 HIS HB3 H 1 2.52 0.01 . 2 . . . . 116 HIS HB3 . 16493 1 611 . 1 1 94 94 HIS HD2 H 1 7.98 0.01 . 1 . . . . 116 HIS HD2 . 16493 1 612 . 1 1 94 94 HIS HE1 H 1 7.06 0.01 . 1 . . . . 116 HIS HE1 . 16493 1 613 . 1 1 95 95 ALA H H 1 7.23 0.01 . 1 . . . . 117 ALA HN . 16493 1 614 . 1 1 95 95 ALA HA H 1 3.81 0.01 . 1 . . . . 117 ALA HA . 16493 1 615 . 1 1 95 95 ALA HB1 H 1 1.45 0.01 . 1 . . . . 117 ALA HB . 16493 1 616 . 1 1 95 95 ALA HB2 H 1 1.45 0.01 . 1 . . . . 117 ALA HB . 16493 1 617 . 1 1 95 95 ALA HB3 H 1 1.45 0.01 . 1 . . . . 117 ALA HB . 16493 1 618 . 1 1 96 96 GLU H H 1 8.96 0.01 . 1 . . . . 118 GLU HN . 16493 1 619 . 1 1 96 96 GLU HA H 1 4.06 0.01 . 1 . . . . 118 GLU HA . 16493 1 620 . 1 1 96 96 GLU HB2 H 1 1.96 0.01 . 2 . . . . 118 GLU HB2 . 16493 1 621 . 1 1 96 96 GLU HB3 H 1 1.96 0.01 . 2 . . . . 118 GLU HB3 . 16493 1 622 . 1 1 96 96 GLU HG2 H 1 2.29 0.01 . 2 . . . . 118 GLU HG2 . 16493 1 623 . 1 1 96 96 GLU HG3 H 1 2.17 0.01 . 2 . . . . 118 GLU HG3 . 16493 1 624 . 1 1 97 97 LYS H H 1 7.31 0.01 . 1 . . . . 119 LYS HN . 16493 1 625 . 1 1 97 97 LYS HA H 1 4.21 0.01 . 1 . . . . 119 LYS HA . 16493 1 626 . 1 1 97 97 LYS HB2 H 1 1.12 0.01 . 2 . . . . 119 LYS HB2 . 16493 1 627 . 1 1 97 97 LYS HB3 H 1 0.70 0.01 . 2 . . . . 119 LYS HB3 . 16493 1 628 . 1 1 97 97 LYS HD2 H 1 1.34 0.01 . 2 . . . . 119 LYS HD2 . 16493 1 629 . 1 1 97 97 LYS HD3 H 1 1.34 0.01 . 2 . . . . 119 LYS HD3 . 16493 1 630 . 1 1 97 97 LYS HE2 H 1 2.54 0.01 . 2 . . . . 119 LYS HE2 . 16493 1 631 . 1 1 97 97 LYS HE3 H 1 2.40 0.01 . 2 . . . . 119 LYS HE3 . 16493 1 632 . 1 1 97 97 LYS HG2 H 1 0.94 0.01 . 2 . . . . 119 LYS HG2 . 16493 1 633 . 1 1 97 97 LYS HG3 H 1 0.94 0.01 . 2 . . . . 119 LYS HG3 . 16493 1 634 . 1 1 98 98 ASN H H 1 7.96 0.01 . 1 . . . . 120 ASN HN . 16493 1 635 . 1 1 98 98 ASN HA H 1 3.76 0.01 . 1 . . . . 120 ASN HA . 16493 1 636 . 1 1 98 98 ASN HB2 H 1 2.98 0.01 . 2 . . . . 120 ASN HB2 . 16493 1 637 . 1 1 98 98 ASN HB3 H 1 2.86 0.01 . 2 . . . . 120 ASN HB3 . 16493 1 638 . 1 1 98 98 ASN HD21 H 1 7.43 0.01 . 2 . . . . 120 ASN HD21 . 16493 1 639 . 1 1 98 98 ASN HD22 H 1 6.72 0.01 . 2 . . . . 120 ASN HD22 . 16493 1 640 . 1 1 99 99 TRP H H 1 6.44 0.01 . 1 . . . . 121 TRP HN . 16493 1 641 . 1 1 99 99 TRP HA H 1 4.84 0.01 . 1 . . . . 121 TRP HA . 16493 1 642 . 1 1 99 99 TRP HB2 H 1 3.14 0.01 . 2 . . . . 121 TRP HB2 . 16493 1 643 . 1 1 99 99 TRP HB3 H 1 2.92 0.01 . 2 . . . . 121 TRP HB3 . 16493 1 644 . 1 1 99 99 TRP HD1 H 1 6.84 0.01 . 1 . . . . 121 TRP HD1 . 16493 1 645 . 1 1 99 99 TRP HE1 H 1 10.38 0.01 . 1 . . . . 121 TRP HE1 . 16493 1 646 . 1 1 99 99 TRP HE3 H 1 7.36 0.01 . 1 . . . . 121 TRP HE3 . 16493 1 647 . 1 1 99 99 TRP HH2 H 1 7.08 0.01 . 1 . . . . 121 TRP HH2 . 16493 1 648 . 1 1 99 99 TRP HZ2 H 1 7.41 0.01 . 1 . . . . 121 TRP HZ2 . 16493 1 649 . 1 1 99 99 TRP HZ3 H 1 6.21 0.01 . 1 . . . . 121 TRP HZ3 . 16493 1 650 . 1 1 100 100 PHE H H 1 8.22 0.01 . 1 . . . . 122 PHE HN . 16493 1 651 . 1 1 100 100 PHE HA H 1 5.37 0.01 . 1 . . . . 122 PHE HA . 16493 1 652 . 1 1 100 100 PHE HB2 H 1 3.44 0.01 . 2 . . . . 122 PHE HB2 . 16493 1 653 . 1 1 100 100 PHE HB3 H 1 2.68 0.01 . 2 . . . . 122 PHE HB3 . 16493 1 654 . 1 1 100 100 PHE HD1 H 1 7.48 0.01 . 3 . . . . 122 PHE HD1 . 16493 1 655 . 1 1 100 100 PHE HD2 H 1 7.48 0.01 . 3 . . . . 122 PHE HD2 . 16493 1 656 . 1 1 100 100 PHE HE1 H 1 7.24 0.01 . 3 . . . . 122 PHE HE1 . 16493 1 657 . 1 1 100 100 PHE HE2 H 1 7.24 0.01 . 3 . . . . 122 PHE HE2 . 16493 1 658 . 1 1 100 100 PHE HZ H 1 6.99 0.01 . 1 . . . . 122 PHE HZ . 16493 1 659 . 1 1 101 101 VAL H H 1 8.59 0.01 . 1 . . . . 123 VAL HN . 16493 1 660 . 1 1 101 101 VAL HA H 1 3.94 0.01 . 1 . . . . 123 VAL HA . 16493 1 661 . 1 1 101 101 VAL HB H 1 2.03 0.01 . 1 . . . . 123 VAL HB . 16493 1 662 . 1 1 101 101 VAL HG11 H 1 0.52 0.01 . 2 . . . . 123 VAL HG1 . 16493 1 663 . 1 1 101 101 VAL HG12 H 1 0.52 0.01 . 2 . . . . 123 VAL HG1 . 16493 1 664 . 1 1 101 101 VAL HG13 H 1 0.52 0.01 . 2 . . . . 123 VAL HG1 . 16493 1 665 . 1 1 101 101 VAL HG21 H 1 0.48 0.01 . 2 . . . . 123 VAL HG2 . 16493 1 666 . 1 1 101 101 VAL HG22 H 1 0.48 0.01 . 2 . . . . 123 VAL HG2 . 16493 1 667 . 1 1 101 101 VAL HG23 H 1 0.48 0.01 . 2 . . . . 123 VAL HG2 . 16493 1 668 . 1 1 102 102 GLY H H 1 9.14 0.01 . 1 . . . . 124 GLY HN . 16493 1 669 . 1 1 102 102 GLY HA2 H 1 5.28 0.01 . 2 . . . . 124 GLY HA1 . 16493 1 670 . 1 1 102 102 GLY HA3 H 1 3.16 0.01 . 2 . . . . 124 GLY HA2 . 16493 1 671 . 1 1 103 103 LEU H H 1 8.20 0.01 . 1 . . . . 125 LEU HN . 16493 1 672 . 1 1 103 103 LEU HA H 1 4.95 0.01 . 1 . . . . 125 LEU HA . 16493 1 673 . 1 1 103 103 LEU HB2 H 1 2.24 0.01 . 2 . . . . 125 LEU HB2 . 16493 1 674 . 1 1 103 103 LEU HD11 H 1 0.76 0.01 . 2 . . . . 125 LEU HD1 . 16493 1 675 . 1 1 103 103 LEU HD12 H 1 0.76 0.01 . 2 . . . . 125 LEU HD1 . 16493 1 676 . 1 1 103 103 LEU HD13 H 1 0.76 0.01 . 2 . . . . 125 LEU HD1 . 16493 1 677 . 1 1 103 103 LEU HG H 1 1.61 0.01 . 1 . . . . 125 LEU HG . 16493 1 678 . 1 1 104 104 LYS H H 1 8.87 0.01 . 1 . . . . 126 LYS HN . 16493 1 679 . 1 1 104 104 LYS HA H 1 4.24 0.01 . 1 . . . . 126 LYS HA . 16493 1 680 . 1 1 104 104 LYS HB2 H 1 1.78 0.01 . 2 . . . . 126 LYS HB2 . 16493 1 681 . 1 1 104 104 LYS HB3 H 1 1.78 0.01 . 2 . . . . 126 LYS HB3 . 16493 1 682 . 1 1 104 104 LYS HD2 H 1 1.71 0.01 . 2 . . . . 126 LYS HD2 . 16493 1 683 . 1 1 104 104 LYS HD3 H 1 1.42 0.01 . 2 . . . . 126 LYS HD3 . 16493 1 684 . 1 1 104 104 LYS HE2 H 1 3.02 0.01 . 2 . . . . 126 LYS HE2 . 16493 1 685 . 1 1 104 104 LYS HE3 H 1 3.02 0.01 . 2 . . . . 126 LYS HE3 . 16493 1 686 . 1 1 104 104 LYS HG2 H 1 1.49 0.01 . 2 . . . . 126 LYS HG2 . 16493 1 687 . 1 1 104 104 LYS HG3 H 1 1.49 0.01 . 2 . . . . 126 LYS HG3 . 16493 1 688 . 1 1 105 105 LYS H H 1 8.08 0.01 . 1 . . . . 127 LYS HN . 16493 1 689 . 1 1 105 105 LYS HA H 1 3.65 0.01 . 1 . . . . 127 LYS HA . 16493 1 690 . 1 1 105 105 LYS HB2 H 1 1.78 0.01 . 2 . . . . 127 LYS HB2 . 16493 1 691 . 1 1 105 105 LYS HB3 H 1 1.70 0.01 . 2 . . . . 127 LYS HB3 . 16493 1 692 . 1 1 105 105 LYS HD2 H 1 1.79 0.01 . 2 . . . . 127 LYS HD2 . 16493 1 693 . 1 1 105 105 LYS HD3 H 1 1.24 0.01 . 2 . . . . 127 LYS HD3 . 16493 1 694 . 1 1 105 105 LYS HE2 H 1 3.05 0.01 . 2 . . . . 127 LYS HE2 . 16493 1 695 . 1 1 105 105 LYS HE3 H 1 3.05 0.01 . 2 . . . . 127 LYS HE3 . 16493 1 696 . 1 1 105 105 LYS HG2 H 1 1.47 0.01 . 2 . . . . 127 LYS HG2 . 16493 1 697 . 1 1 105 105 LYS HG3 H 1 1.47 0.01 . 2 . . . . 127 LYS HG3 . 16493 1 698 . 1 1 105 105 LYS HZ1 H 1 6.43 0.01 . 1 . . . . 127 LYS HZ1 . 16493 1 699 . 1 1 105 105 LYS HZ2 H 1 6.43 0.01 . 1 . . . . 127 LYS HZ2 . 16493 1 700 . 1 1 105 105 LYS HZ3 H 1 6.43 0.01 . 1 . . . . 127 LYS HZ3 . 16493 1 701 . 1 1 106 106 ASN H H 1 7.47 0.01 . 1 . . . . 128 ASN HN . 16493 1 702 . 1 1 106 106 ASN HA H 1 4.67 0.01 . 1 . . . . 128 ASN HA . 16493 1 703 . 1 1 106 106 ASN HB2 H 1 3.31 0.01 . 2 . . . . 128 ASN HB2 . 16493 1 704 . 1 1 106 106 ASN HB3 H 1 2.79 0.01 . 2 . . . . 128 ASN HB3 . 16493 1 705 . 1 1 107 107 GLY H H 1 7.68 0.01 . 1 . . . . 129 GLY HN . 16493 1 706 . 1 1 107 107 GLY HA2 H 1 3.36 0.01 . 2 . . . . 129 GLY HA1 . 16493 1 707 . 1 1 107 107 GLY HA3 H 1 2.09 0.01 . 2 . . . . 129 GLY HA2 . 16493 1 708 . 1 1 108 108 SER H H 1 7.47 0.01 . 1 . . . . 130 SER HN . 16493 1 709 . 1 1 108 108 SER HA H 1 4.74 0.01 . 1 . . . . 130 SER HA . 16493 1 710 . 1 1 108 108 SER HB2 H 1 3.92 0.01 . 2 . . . . 130 SER HB2 . 16493 1 711 . 1 1 108 108 SER HB3 H 1 3.72 0.01 . 2 . . . . 130 SER HB3 . 16493 1 712 . 1 1 109 109 CYS H H 1 9.20 0.01 . 1 . . . . 131 CYS HN . 16493 1 713 . 1 1 109 109 CYS HA H 1 4.40 0.01 . 1 . . . . 131 CYS HA . 16493 1 714 . 1 1 109 109 CYS HB2 H 1 3.11 0.01 . 2 . . . . 131 CYS HB2 . 16493 1 715 . 1 1 109 109 CYS HB3 H 1 2.89 0.01 . 2 . . . . 131 CYS HB3 . 16493 1 716 . 1 1 110 110 LYS H H 1 8.24 0.01 . 1 . . . . 132 LYS HN . 16493 1 717 . 1 1 110 110 LYS HA H 1 4.32 0.01 . 1 . . . . 132 LYS HA . 16493 1 718 . 1 1 110 110 LYS HB2 H 1 1.42 0.01 . 2 . . . . 132 LYS HB2 . 16493 1 719 . 1 1 110 110 LYS HB3 H 1 1.42 0.01 . 2 . . . . 132 LYS HB3 . 16493 1 720 . 1 1 110 110 LYS HD2 H 1 1.24 0.01 . 2 . . . . 132 LYS HD2 . 16493 1 721 . 1 1 110 110 LYS HD3 H 1 1.24 0.01 . 2 . . . . 132 LYS HD3 . 16493 1 722 . 1 1 110 110 LYS HE2 H 1 2.86 0.01 . 2 . . . . 132 LYS HE2 . 16493 1 723 . 1 1 110 110 LYS HE3 H 1 2.78 0.01 . 2 . . . . 132 LYS HE3 . 16493 1 724 . 1 1 110 110 LYS HG2 H 1 1.15 0.01 . 2 . . . . 132 LYS HG2 . 16493 1 725 . 1 1 110 110 LYS HG3 H 1 1.15 0.01 . 2 . . . . 132 LYS HG3 . 16493 1 726 . 1 1 111 111 ARG H H 1 8.76 0.01 . 1 . . . . 133 ARG HN . 16493 1 727 . 1 1 111 111 ARG HA H 1 4.24 0.01 . 1 . . . . 133 ARG HA . 16493 1 728 . 1 1 111 111 ARG HB2 H 1 1.95 0.01 . 2 . . . . 133 ARG HB2 . 16493 1 729 . 1 1 111 111 ARG HB3 H 1 1.55 0.01 . 2 . . . . 133 ARG HB3 . 16493 1 730 . 1 1 111 111 ARG HD2 H 1 3.12 0.01 . 2 . . . . 133 ARG HD2 . 16493 1 731 . 1 1 111 111 ARG HD3 H 1 3.12 0.01 . 2 . . . . 133 ARG HD3 . 16493 1 732 . 1 1 111 111 ARG HE H 1 7.24 0.01 . 1 . . . . 133 ARG HE . 16493 1 733 . 1 1 111 111 ARG HG2 H 1 1.65 0.01 . 2 . . . . 133 ARG HG2 . 16493 1 734 . 1 1 112 112 GLY H H 1 9.54 0.01 . 1 . . . . 134 GLY HN . 16493 1 735 . 1 1 112 112 GLY HA2 H 1 3.84 0.01 . 2 . . . . 134 GLY HA1 . 16493 1 736 . 1 1 112 112 GLY HA3 H 1 3.15 0.01 . 2 . . . . 134 GLY HA2 . 16493 1 737 . 1 1 113 113 PRO HA H 1 4.35 0.01 . 1 . . . . 135 PRO HA . 16493 1 738 . 1 1 113 113 PRO HB2 H 1 2.40 0.01 . 2 . . . . 135 PRO HB2 . 16493 1 739 . 1 1 113 113 PRO HB3 H 1 1.88 0.01 . 2 . . . . 135 PRO HB3 . 16493 1 740 . 1 1 113 113 PRO HG2 H 1 1.69 0.01 . 2 . . . . 135 PRO HG2 . 16493 1 741 . 1 1 113 113 PRO HG3 H 1 1.59 0.01 . 2 . . . . 135 PRO HG3 . 16493 1 742 . 1 1 114 114 ARG H H 1 8.11 0.01 . 1 . . . . 136 ARG HN . 16493 1 743 . 1 1 114 114 ARG HA H 1 4.51 0.01 . 1 . . . . 136 ARG HA . 16493 1 744 . 1 1 114 114 ARG HB2 H 1 2.18 0.01 . 2 . . . . 136 ARG HB2 . 16493 1 745 . 1 1 114 114 ARG HB3 H 1 1.88 0.01 . 2 . . . . 136 ARG HB3 . 16493 1 746 . 1 1 114 114 ARG HD2 H 1 3.24 0.01 . 2 . . . . 136 ARG HD2 . 16493 1 747 . 1 1 114 114 ARG HD3 H 1 3.24 0.01 . 2 . . . . 136 ARG HD3 . 16493 1 748 . 1 1 115 115 THR H H 1 7.82 0.01 . 1 . . . . 137 THR HN . 16493 1 749 . 1 1 115 115 THR HA H 1 5.17 0.01 . 1 . . . . 137 THR HA . 16493 1 750 . 1 1 115 115 THR HB H 1 4.10 0.01 . 1 . . . . 137 THR HB . 16493 1 751 . 1 1 115 115 THR HG1 H 1 6.24 0.01 . 1 . . . . 137 THR HG1 . 16493 1 752 . 1 1 115 115 THR HG21 H 1 1.13 0.01 . 1 . . . . 137 THR HG2 . 16493 1 753 . 1 1 115 115 THR HG22 H 1 1.13 0.01 . 1 . . . . 137 THR HG2 . 16493 1 754 . 1 1 115 115 THR HG23 H 1 1.13 0.01 . 1 . . . . 137 THR HG2 . 16493 1 755 . 1 1 116 116 HIS H H 1 7.23 0.01 . 1 . . . . 138 HIS HN . 16493 1 756 . 1 1 116 116 HIS HA H 1 4.88 0.01 . 1 . . . . 138 HIS HA . 16493 1 757 . 1 1 116 116 HIS HB2 H 1 3.45 0.01 . 2 . . . . 138 HIS HB2 . 16493 1 758 . 1 1 116 116 HIS HB3 H 1 3.22 0.01 . 2 . . . . 138 HIS HB3 . 16493 1 759 . 1 1 116 116 HIS HD2 H 1 7.32 0.01 . 1 . . . . 138 HIS HD2 . 16493 1 760 . 1 1 116 116 HIS HE1 H 1 8.64 0.01 . 1 . . . . 138 HIS HE1 . 16493 1 761 . 1 1 117 117 TYR H H 1 9.12 0.01 . 1 . . . . 139 TYR HN . 16493 1 762 . 1 1 117 117 TYR HA H 1 3.88 0.01 . 1 . . . . 139 TYR HA . 16493 1 763 . 1 1 117 117 TYR HB2 H 1 3.10 0.01 . 2 . . . . 139 TYR HB2 . 16493 1 764 . 1 1 117 117 TYR HB3 H 1 2.94 0.01 . 2 . . . . 139 TYR HB3 . 16493 1 765 . 1 1 117 117 TYR HD1 H 1 7.10 0.01 . 3 . . . . 139 TYR HD1 . 16493 1 766 . 1 1 117 117 TYR HD2 H 1 7.10 0.01 . 3 . . . . 139 TYR HD2 . 16493 1 767 . 1 1 117 117 TYR HE1 H 1 6.91 0.01 . 3 . . . . 139 TYR HE1 . 16493 1 768 . 1 1 117 117 TYR HE2 H 1 6.91 0.01 . 3 . . . . 139 TYR HE2 . 16493 1 769 . 1 1 118 118 GLY H H 1 7.98 0.01 . 1 . . . . 140 GLY HN . 16493 1 770 . 1 1 118 118 GLY HA2 H 1 4.33 0.01 . 2 . . . . 140 GLY HA1 . 16493 1 771 . 1 1 118 118 GLY HA3 H 1 3.25 0.01 . 2 . . . . 140 GLY HA2 . 16493 1 772 . 1 1 119 119 GLN H H 1 7.04 0.01 . 1 . . . . 141 GLN HN . 16493 1 773 . 1 1 119 119 GLN HA H 1 4.23 0.01 . 1 . . . . 141 GLN HA . 16493 1 774 . 1 1 119 119 GLN HB2 H 1 2.10 0.01 . 2 . . . . 141 GLN HB2 . 16493 1 775 . 1 1 119 119 GLN HB3 H 1 2.00 0.01 . 2 . . . . 141 GLN HB3 . 16493 1 776 . 1 1 119 119 GLN HG2 H 1 2.38 0.01 . 2 . . . . 141 GLN HG2 . 16493 1 777 . 1 1 119 119 GLN HG3 H 1 2.38 0.01 . 2 . . . . 141 GLN HG3 . 16493 1 778 . 1 1 120 120 LYS H H 1 8.40 0.01 . 1 . . . . 142 LYS HN . 16493 1 779 . 1 1 120 120 LYS HA H 1 3.80 0.01 . 1 . . . . 142 LYS HA . 16493 1 780 . 1 1 120 120 LYS HB2 H 1 1.54 0.01 . 2 . . . . 142 LYS HB2 . 16493 1 781 . 1 1 120 120 LYS HB3 H 1 1.40 0.01 . 2 . . . . 142 LYS HB3 . 16493 1 782 . 1 1 120 120 LYS HD2 H 1 1.59 0.01 . 2 . . . . 142 LYS HD2 . 16493 1 783 . 1 1 120 120 LYS HD3 H 1 1.59 0.01 . 2 . . . . 142 LYS HD3 . 16493 1 784 . 1 1 120 120 LYS HE2 H 1 2.95 0.01 . 2 . . . . 142 LYS HE2 . 16493 1 785 . 1 1 120 120 LYS HE3 H 1 2.95 0.01 . 2 . . . . 142 LYS HE3 . 16493 1 786 . 1 1 120 120 LYS HG2 H 1 1.28 0.01 . 2 . . . . 142 LYS HG2 . 16493 1 787 . 1 1 120 120 LYS HG3 H 1 1.28 0.01 . 2 . . . . 142 LYS HG3 . 16493 1 788 . 1 1 121 121 ALA H H 1 7.75 0.01 . 1 . . . . 143 ALA HN . 16493 1 789 . 1 1 121 121 ALA HA H 1 3.93 0.01 . 1 . . . . 143 ALA HA . 16493 1 790 . 1 1 121 121 ALA HB1 H 1 1.16 0.01 . 1 . . . . 143 ALA HB . 16493 1 791 . 1 1 121 121 ALA HB2 H 1 1.16 0.01 . 1 . . . . 143 ALA HB . 16493 1 792 . 1 1 121 121 ALA HB3 H 1 1.16 0.01 . 1 . . . . 143 ALA HB . 16493 1 793 . 1 1 122 122 ILE H H 1 5.92 0.01 . 1 . . . . 144 ILE HN . 16493 1 794 . 1 1 122 122 ILE HA H 1 5.18 0.01 . 1 . . . . 144 ILE HA . 16493 1 795 . 1 1 122 122 ILE HB H 1 2.25 0.01 . 1 . . . . 144 ILE HB . 16493 1 796 . 1 1 122 122 ILE HD11 H 1 -0.10 0.01 . 1 . . . . 144 ILE HD1 . 16493 1 797 . 1 1 122 122 ILE HD12 H 1 -0.10 0.01 . 1 . . . . 144 ILE HD1 . 16493 1 798 . 1 1 122 122 ILE HD13 H 1 -0.10 0.01 . 1 . . . . 144 ILE HD1 . 16493 1 799 . 1 1 122 122 ILE HG12 H 1 1.06 0.01 . 2 . . . . 144 ILE HG12 . 16493 1 800 . 1 1 122 122 ILE HG13 H 1 0.85 0.01 . 2 . . . . 144 ILE HG13 . 16493 1 801 . 1 1 122 122 ILE HG21 H 1 0.62 0.01 . 1 . . . . 144 ILE HG2 . 16493 1 802 . 1 1 122 122 ILE HG22 H 1 0.62 0.01 . 1 . . . . 144 ILE HG2 . 16493 1 803 . 1 1 122 122 ILE HG23 H 1 0.62 0.01 . 1 . . . . 144 ILE HG2 . 16493 1 804 . 1 1 123 123 LEU H H 1 6.82 0.01 . 1 . . . . 145 LEU HN . 16493 1 805 . 1 1 123 123 LEU HA H 1 4.63 0.01 . 1 . . . . 145 LEU HA . 16493 1 806 . 1 1 123 123 LEU HB2 H 1 1.56 0.01 . 2 . . . . 145 LEU HB2 . 16493 1 807 . 1 1 123 123 LEU HB3 H 1 1.56 0.01 . 2 . . . . 145 LEU HB3 . 16493 1 808 . 1 1 124 124 PHE H H 1 9.37 0.01 . 1 . . . . 146 PHE HN . 16493 1 809 . 1 1 124 124 PHE HA H 1 5.61 0.01 . 1 . . . . 146 PHE HA . 16493 1 810 . 1 1 124 124 PHE HB2 H 1 3.14 0.01 . 2 . . . . 146 PHE HB2 . 16493 1 811 . 1 1 124 124 PHE HB3 H 1 2.79 0.01 . 2 . . . . 146 PHE HB3 . 16493 1 812 . 1 1 124 124 PHE HD1 H 1 7.20 0.01 . 3 . . . . 146 PHE HD1 . 16493 1 813 . 1 1 124 124 PHE HD2 H 1 7.20 0.01 . 3 . . . . 146 PHE HD2 . 16493 1 814 . 1 1 124 124 PHE HE1 H 1 7.32 0.01 . 3 . . . . 146 PHE HE1 . 16493 1 815 . 1 1 124 124 PHE HE2 H 1 7.32 0.01 . 3 . . . . 146 PHE HE2 . 16493 1 816 . 1 1 124 124 PHE HZ H 1 6.90 0.01 . 1 . . . . 146 PHE HZ . 16493 1 817 . 1 1 125 125 LEU H H 1 10.03 0.01 . 1 . . . . 147 LEU HN . 16493 1 818 . 1 1 125 125 LEU HA H 1 5.21 0.01 . 1 . . . . 147 LEU HA . 16493 1 819 . 1 1 125 125 LEU HB2 H 1 1.94 0.01 . 2 . . . . 147 LEU HB2 . 16493 1 820 . 1 1 125 125 LEU HB3 H 1 1.30 0.01 . 2 . . . . 147 LEU HB3 . 16493 1 821 . 1 1 125 125 LEU HD11 H 1 0.72 0.01 . 2 . . . . 147 LEU HD1 . 16493 1 822 . 1 1 125 125 LEU HD12 H 1 0.72 0.01 . 2 . . . . 147 LEU HD1 . 16493 1 823 . 1 1 125 125 LEU HD13 H 1 0.72 0.01 . 2 . . . . 147 LEU HD1 . 16493 1 824 . 1 1 125 125 LEU HD21 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16493 1 825 . 1 1 125 125 LEU HD22 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16493 1 826 . 1 1 125 125 LEU HD23 H 1 0.72 0.01 . 2 . . . . 147 LEU HD2 . 16493 1 827 . 1 1 125 125 LEU HG H 1 1.47 0.01 . 1 . . . . 147 LEU HG . 16493 1 828 . 1 1 126 126 PRO HA H 1 5.58 0.01 . 1 . . . . 148 PRO HA . 16493 1 829 . 1 1 126 126 PRO HB2 H 1 2.04 0.01 . 2 . . . . 148 PRO HB2 . 16493 1 830 . 1 1 126 126 PRO HB3 H 1 2.04 0.01 . 2 . . . . 148 PRO HB3 . 16493 1 831 . 1 1 126 126 PRO HD2 H 1 4.24 0.01 . 2 . . . . 148 PRO HD2 . 16493 1 832 . 1 1 126 126 PRO HD3 H 1 3.94 0.01 . 2 . . . . 148 PRO HD3 . 16493 1 833 . 1 1 126 126 PRO HG2 H 1 2.36 0.01 . 2 . . . . 148 PRO HG2 . 16493 1 834 . 1 1 126 126 PRO HG3 H 1 2.36 0.01 . 2 . . . . 148 PRO HG3 . 16493 1 835 . 1 1 127 127 LEU H H 1 9.80 0.01 . 1 . . . . 149 LEU HN . 16493 1 836 . 1 1 127 127 LEU HA H 1 5.04 0.01 . 1 . . . . 149 LEU HA . 16493 1 837 . 1 1 127 127 LEU HB2 H 1 1.72 0.01 . 2 . . . . 149 LEU HB2 . 16493 1 838 . 1 1 127 127 LEU HB3 H 1 1.72 0.01 . 2 . . . . 149 LEU HB3 . 16493 1 839 . 1 1 127 127 LEU HD11 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16493 1 840 . 1 1 127 127 LEU HD12 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16493 1 841 . 1 1 127 127 LEU HD13 H 1 0.90 0.01 . 2 . . . . 149 LEU HD1 . 16493 1 842 . 1 1 127 127 LEU HD21 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16493 1 843 . 1 1 127 127 LEU HD22 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16493 1 844 . 1 1 127 127 LEU HD23 H 1 0.90 0.01 . 2 . . . . 149 LEU HD2 . 16493 1 845 . 1 1 127 127 LEU HG H 1 1.86 0.01 . 1 . . . . 149 LEU HG . 16493 1 846 . 1 1 128 128 PRO HA H 1 4.72 0.01 . 1 . . . . 150 PRO HA . 16493 1 847 . 1 1 128 128 PRO HB2 H 1 2.38 0.01 . 2 . . . . 150 PRO HB2 . 16493 1 848 . 1 1 128 128 PRO HB3 H 1 1.93 0.01 . 2 . . . . 150 PRO HB3 . 16493 1 849 . 1 1 128 128 PRO HD2 H 1 3.86 0.01 . 2 . . . . 150 PRO HD2 . 16493 1 850 . 1 1 128 128 PRO HD3 H 1 3.65 0.01 . 2 . . . . 150 PRO HD3 . 16493 1 851 . 1 1 128 128 PRO HG2 H 1 2.05 0.01 . 2 . . . . 150 PRO HG2 . 16493 1 852 . 1 1 128 128 PRO HG3 H 1 2.05 0.01 . 2 . . . . 150 PRO HG3 . 16493 1 853 . 1 1 129 129 VAL H H 1 8.15 0.01 . 1 . . . . 151 VAL HN . 16493 1 854 . 1 1 129 129 VAL HA H 1 3.76 0.01 . 1 . . . . 151 VAL HA . 16493 1 855 . 1 1 129 129 VAL HB H 1 1.98 0.01 . 1 . . . . 151 VAL HB . 16493 1 856 . 1 1 129 129 VAL HG11 H 1 0.84 0.01 . 2 . . . . 151 VAL HG1 . 16493 1 857 . 1 1 129 129 VAL HG12 H 1 0.84 0.01 . 2 . . . . 151 VAL HG1 . 16493 1 858 . 1 1 129 129 VAL HG13 H 1 0.84 0.01 . 2 . . . . 151 VAL HG1 . 16493 1 859 . 1 1 129 129 VAL HG21 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16493 1 860 . 1 1 129 129 VAL HG22 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16493 1 861 . 1 1 129 129 VAL HG23 H 1 0.83 0.01 . 2 . . . . 151 VAL HG2 . 16493 1 862 . 1 1 130 130 SER H H 1 7.96 0.01 . 1 . . . . 152 SER HN . 16493 1 863 . 1 1 130 130 SER HA H 1 4.55 0.01 . 1 . . . . 152 SER HA . 16493 1 864 . 1 1 130 130 SER HB2 H 1 3.86 0.01 . 2 . . . . 152 SER HB2 . 16493 1 865 . 1 1 130 130 SER HB3 H 1 3.83 0.01 . 2 . . . . 152 SER HB3 . 16493 1 866 . 1 1 131 131 SER H H 1 8.49 0.01 . 1 . . . . 153 SER HN . 16493 1 867 . 1 1 131 131 SER HA H 1 4.48 0.01 . 1 . . . . 153 SER HA . 16493 1 868 . 1 1 131 131 SER HB2 H 1 3.88 0.01 . 2 . . . . 153 SER HB2 . 16493 1 869 . 1 1 131 131 SER HB3 H 1 3.82 0.01 . 2 . . . . 153 SER HB3 . 16493 1 870 . 1 1 132 132 ASP H H 1 8.04 0.01 . 1 . . . . 154 ASP HN . 16493 1 871 . 1 1 132 132 ASP HA H 1 4.40 0.01 . 1 . . . . 154 ASP HA . 16493 1 872 . 1 1 132 132 ASP HB2 H 1 2.68 0.01 . 2 . . . . 154 ASP HB2 . 16493 1 873 . 1 1 132 132 ASP HB3 H 1 2.54 0.01 . 2 . . . . 154 ASP HB3 . 16493 1 stop_ save_