data_15352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15352 _Entry.Title ; NMR Structure of protein Q6N9A4_RHOPA:Northeast Structural Genomics Consortium Target RpT8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15352 2 YIBING WU . . . 15352 3 ADELINDA YEE . . . 15352 4 ALEX ELETSKY . . . 15352 5 DINESH SUKUMARAN . . . 15352 6 MAITE GARCIA . . . 15352 7 RONG XIAO . . . 15352 8 SONAL BANSAL . . . 15352 9 MICHAEL BARAN . . . 15352 10 MONTELIONE GAETANO . T. . 15352 11 PRESTEGARD JAMES . H. . 15352 12 CHERYL ARROWSMITH . . . 15352 13 THOMAS SZYPERSKI . . . 15352 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 15352 '15N chemical shifts' 87 15352 '1H chemical shifts' 586 15352 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-06-29 update BMRB 'update entity name' 15352 1 . . 2007-08-29 2007-06-29 original author 'original release' 15352 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15354 'protein Q60C73_METCA' 15352 PDB 2JS3 'BMRB Entry Tracking System' 15352 stop_ save_ ############### # Citations # ############### save_NMR_Structure_of_protein_Q6N9A4_RHOPA _Citation.Sf_category citations _Citation.Sf_framecode NMR_Structure_of_protein_Q6N9A4_RHOPA _Citation.Entry_ID 15352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure of protein Q6N9A4_RHOPA' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15352 1 2 YIBING WU . . . 15352 1 3 ADELINDA YEE . . . 15352 1 4 ALEX ELETSKY . . . 15352 1 5 DINESH SUKUMARAN . . . 15352 1 6 MAITE GARCIA . . . 15352 1 7 RONG XIAO . . . 15352 1 8 SONAL BANSAL . . . 15352 1 9 MICHAEL BARAN . . . 15352 1 10 MONTELIONE GAETANO . . . 15352 1 11 PRESTEGARD JAMES . . . 15352 1 12 CHERYL ARROWSMITH . . . 15352 1 13 THOMAS SZYPERSKI . . . 15352 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID homodimer 15352 1 'NMR spectroscopy' 15352 1 'protein structure' 15352 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15352 _Assembly.ID 1 _Assembly.Name 'rpt8 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 chain1 1 $entity A . yes native no no . . . 15352 1 2 chain2 1 $entity A . yes native no no . . . 15352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rpt8 dimer' _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 ; MGSSHHHHHHSSGRENLYFQ GMTDTAAEDVRKIATALLKT AIEIVSEEDGGAHNQCKLCG ASVPWLQTGDEIKHADDCPV VIAKQILSSRPKLHAVMGSS HHHHHHSSGRENLYFQGMTD TAAEDVRKIATALLKTAIEI VSEEDGGAHNQCKLCGASVP WLQTGDEIKHADDCPVVIAK QILSSRPKLHAV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20891.723 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JS3 . "Nmr Structure Of Protein Q6n9a4_rhopa. Northeast Structural Genomics Consortium Target Rpt8" . . . . . 50.00 96 100.00 100.00 9.58e-62 . . . . 15352 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15352 1 2 . GLY . 15352 1 3 . SER . 15352 1 4 . SER . 15352 1 5 . HIS . 15352 1 6 . HIS . 15352 1 7 . HIS . 15352 1 8 . HIS . 15352 1 9 . HIS . 15352 1 10 . HIS . 15352 1 11 . SER . 15352 1 12 . SER . 15352 1 13 . GLY . 15352 1 14 . ARG . 15352 1 15 . GLU . 15352 1 16 . ASN . 15352 1 17 . LEU . 15352 1 18 . TYR . 15352 1 19 . PHE . 15352 1 20 . GLN . 15352 1 21 . GLY . 15352 1 22 . MET . 15352 1 23 . THR . 15352 1 24 . ASP . 15352 1 25 . THR . 15352 1 26 . ALA . 15352 1 27 . ALA . 15352 1 28 . GLU . 15352 1 29 . ASP . 15352 1 30 . VAL . 15352 1 31 . ARG . 15352 1 32 . LYS . 15352 1 33 . ILE . 15352 1 34 . ALA . 15352 1 35 . THR . 15352 1 36 . ALA . 15352 1 37 . LEU . 15352 1 38 . LEU . 15352 1 39 . LYS . 15352 1 40 . THR . 15352 1 41 . ALA . 15352 1 42 . ILE . 15352 1 43 . GLU . 15352 1 44 . ILE . 15352 1 45 . VAL . 15352 1 46 . SER . 15352 1 47 . GLU . 15352 1 48 . GLU . 15352 1 49 . ASP . 15352 1 50 . GLY . 15352 1 51 . GLY . 15352 1 52 . ALA . 15352 1 53 . HIS . 15352 1 54 . ASN . 15352 1 55 . GLN . 15352 1 56 . CYS . 15352 1 57 . LYS . 15352 1 58 . LEU . 15352 1 59 . CYS . 15352 1 60 . GLY . 15352 1 61 . ALA . 15352 1 62 . SER . 15352 1 63 . VAL . 15352 1 64 . PRO . 15352 1 65 . TRP . 15352 1 66 . LEU . 15352 1 67 . GLN . 15352 1 68 . THR . 15352 1 69 . GLY . 15352 1 70 . ASP . 15352 1 71 . GLU . 15352 1 72 . ILE . 15352 1 73 . LYS . 15352 1 74 . HIS . 15352 1 75 . ALA . 15352 1 76 . ASP . 15352 1 77 . ASP . 15352 1 78 . CYS . 15352 1 79 . PRO . 15352 1 80 . VAL . 15352 1 81 . VAL . 15352 1 82 . ILE . 15352 1 83 . ALA . 15352 1 84 . LYS . 15352 1 85 . GLN . 15352 1 86 . ILE . 15352 1 87 . LEU . 15352 1 88 . SER . 15352 1 89 . SER . 15352 1 90 . ARG . 15352 1 91 . PRO . 15352 1 92 . LYS . 15352 1 93 . LEU . 15352 1 94 . HIS . 15352 1 95 . ALA . 15352 1 96 . VAL . 15352 1 97 . MET . 15352 1 98 . GLY . 15352 1 99 . SER . 15352 1 100 . SER . 15352 1 101 . HIS . 15352 1 102 . HIS . 15352 1 103 . HIS . 15352 1 104 . HIS . 15352 1 105 . HIS . 15352 1 106 . HIS . 15352 1 107 . SER . 15352 1 108 . SER . 15352 1 109 . GLY . 15352 1 110 . ARG . 15352 1 111 . GLU . 15352 1 112 . ASN . 15352 1 113 . LEU . 15352 1 114 . TYR . 15352 1 115 . PHE . 15352 1 116 . GLN . 15352 1 117 . GLY . 15352 1 118 . MET . 15352 1 119 . THR . 15352 1 120 . ASP . 15352 1 121 . THR . 15352 1 122 . ALA . 15352 1 123 . ALA . 15352 1 124 . GLU . 15352 1 125 . ASP . 15352 1 126 . VAL . 15352 1 127 . ARG . 15352 1 128 . LYS . 15352 1 129 . ILE . 15352 1 130 . ALA . 15352 1 131 . THR . 15352 1 132 . ALA . 15352 1 133 . LEU . 15352 1 134 . LEU . 15352 1 135 . LYS . 15352 1 136 . THR . 15352 1 137 . ALA . 15352 1 138 . ILE . 15352 1 139 . GLU . 15352 1 140 . ILE . 15352 1 141 . VAL . 15352 1 142 . SER . 15352 1 143 . GLU . 15352 1 144 . GLU . 15352 1 145 . ASP . 15352 1 146 . GLY . 15352 1 147 . GLY . 15352 1 148 . ALA . 15352 1 149 . HIS . 15352 1 150 . ASN . 15352 1 151 . GLN . 15352 1 152 . CYS . 15352 1 153 . LYS . 15352 1 154 . LEU . 15352 1 155 . CYS . 15352 1 156 . GLY . 15352 1 157 . ALA . 15352 1 158 . SER . 15352 1 159 . VAL . 15352 1 160 . PRO . 15352 1 161 . TRP . 15352 1 162 . LEU . 15352 1 163 . GLN . 15352 1 164 . THR . 15352 1 165 . GLY . 15352 1 166 . ASP . 15352 1 167 . GLU . 15352 1 168 . ILE . 15352 1 169 . LYS . 15352 1 170 . HIS . 15352 1 171 . ALA . 15352 1 172 . ASP . 15352 1 173 . ASP . 15352 1 174 . CYS . 15352 1 175 . PRO . 15352 1 176 . VAL . 15352 1 177 . VAL . 15352 1 178 . ILE . 15352 1 179 . ALA . 15352 1 180 . LYS . 15352 1 181 . GLN . 15352 1 182 . ILE . 15352 1 183 . LEU . 15352 1 184 . SER . 15352 1 185 . SER . 15352 1 186 . ARG . 15352 1 187 . PRO . 15352 1 188 . LYS . 15352 1 189 . LEU . 15352 1 190 . HIS . 15352 1 191 . ALA . 15352 1 192 . VAL . 15352 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15352 1 . GLY 2 2 15352 1 . SER 3 3 15352 1 . SER 4 4 15352 1 . HIS 5 5 15352 1 . HIS 6 6 15352 1 . HIS 7 7 15352 1 . HIS 8 8 15352 1 . HIS 9 9 15352 1 . HIS 10 10 15352 1 . SER 11 11 15352 1 . SER 12 12 15352 1 . GLY 13 13 15352 1 . ARG 14 14 15352 1 . GLU 15 15 15352 1 . ASN 16 16 15352 1 . LEU 17 17 15352 1 . TYR 18 18 15352 1 . PHE 19 19 15352 1 . GLN 20 20 15352 1 . GLY 21 21 15352 1 . MET 22 22 15352 1 . THR 23 23 15352 1 . ASP 24 24 15352 1 . THR 25 25 15352 1 . ALA 26 26 15352 1 . ALA 27 27 15352 1 . GLU 28 28 15352 1 . ASP 29 29 15352 1 . VAL 30 30 15352 1 . ARG 31 31 15352 1 . LYS 32 32 15352 1 . ILE 33 33 15352 1 . ALA 34 34 15352 1 . THR 35 35 15352 1 . ALA 36 36 15352 1 . LEU 37 37 15352 1 . LEU 38 38 15352 1 . LYS 39 39 15352 1 . THR 40 40 15352 1 . ALA 41 41 15352 1 . ILE 42 42 15352 1 . GLU 43 43 15352 1 . ILE 44 44 15352 1 . VAL 45 45 15352 1 . SER 46 46 15352 1 . GLU 47 47 15352 1 . GLU 48 48 15352 1 . ASP 49 49 15352 1 . GLY 50 50 15352 1 . GLY 51 51 15352 1 . ALA 52 52 15352 1 . HIS 53 53 15352 1 . ASN 54 54 15352 1 . GLN 55 55 15352 1 . CYS 56 56 15352 1 . LYS 57 57 15352 1 . LEU 58 58 15352 1 . CYS 59 59 15352 1 . GLY 60 60 15352 1 . ALA 61 61 15352 1 . SER 62 62 15352 1 . VAL 63 63 15352 1 . PRO 64 64 15352 1 . TRP 65 65 15352 1 . LEU 66 66 15352 1 . GLN 67 67 15352 1 . THR 68 68 15352 1 . GLY 69 69 15352 1 . ASP 70 70 15352 1 . GLU 71 71 15352 1 . ILE 72 72 15352 1 . LYS 73 73 15352 1 . HIS 74 74 15352 1 . ALA 75 75 15352 1 . ASP 76 76 15352 1 . ASP 77 77 15352 1 . CYS 78 78 15352 1 . PRO 79 79 15352 1 . VAL 80 80 15352 1 . VAL 81 81 15352 1 . ILE 82 82 15352 1 . ALA 83 83 15352 1 . LYS 84 84 15352 1 . GLN 85 85 15352 1 . ILE 86 86 15352 1 . LEU 87 87 15352 1 . SER 88 88 15352 1 . SER 89 89 15352 1 . ARG 90 90 15352 1 . PRO 91 91 15352 1 . LYS 92 92 15352 1 . LEU 93 93 15352 1 . HIS 94 94 15352 1 . ALA 95 95 15352 1 . VAL 96 96 15352 1 . MET 97 97 15352 1 . GLY 98 98 15352 1 . SER 99 99 15352 1 . SER 100 100 15352 1 . HIS 101 101 15352 1 . HIS 102 102 15352 1 . HIS 103 103 15352 1 . HIS 104 104 15352 1 . HIS 105 105 15352 1 . HIS 106 106 15352 1 . SER 107 107 15352 1 . SER 108 108 15352 1 . GLY 109 109 15352 1 . ARG 110 110 15352 1 . GLU 111 111 15352 1 . ASN 112 112 15352 1 . LEU 113 113 15352 1 . TYR 114 114 15352 1 . PHE 115 115 15352 1 . GLN 116 116 15352 1 . GLY 117 117 15352 1 . MET 118 118 15352 1 . THR 119 119 15352 1 . ASP 120 120 15352 1 . THR 121 121 15352 1 . ALA 122 122 15352 1 . ALA 123 123 15352 1 . GLU 124 124 15352 1 . ASP 125 125 15352 1 . VAL 126 126 15352 1 . ARG 127 127 15352 1 . LYS 128 128 15352 1 . ILE 129 129 15352 1 . ALA 130 130 15352 1 . THR 131 131 15352 1 . ALA 132 132 15352 1 . LEU 133 133 15352 1 . LEU 134 134 15352 1 . LYS 135 135 15352 1 . THR 136 136 15352 1 . ALA 137 137 15352 1 . ILE 138 138 15352 1 . GLU 139 139 15352 1 . ILE 140 140 15352 1 . VAL 141 141 15352 1 . SER 142 142 15352 1 . GLU 143 143 15352 1 . GLU 144 144 15352 1 . ASP 145 145 15352 1 . GLY 146 146 15352 1 . GLY 147 147 15352 1 . ALA 148 148 15352 1 . HIS 149 149 15352 1 . ASN 150 150 15352 1 . GLN 151 151 15352 1 . CYS 152 152 15352 1 . LYS 153 153 15352 1 . LEU 154 154 15352 1 . CYS 155 155 15352 1 . GLY 156 156 15352 1 . ALA 157 157 15352 1 . SER 158 158 15352 1 . VAL 159 159 15352 1 . PRO 160 160 15352 1 . TRP 161 161 15352 1 . LEU 162 162 15352 1 . GLN 163 163 15352 1 . THR 164 164 15352 1 . GLY 165 165 15352 1 . ASP 166 166 15352 1 . GLU 167 167 15352 1 . ILE 168 168 15352 1 . LYS 169 169 15352 1 . HIS 170 170 15352 1 . ALA 171 171 15352 1 . ASP 172 172 15352 1 . ASP 173 173 15352 1 . CYS 174 174 15352 1 . PRO 175 175 15352 1 . VAL 176 176 15352 1 . VAL 177 177 15352 1 . ILE 178 178 15352 1 . ALA 179 179 15352 1 . LYS 180 180 15352 1 . GLN 181 181 15352 1 . ILE 182 182 15352 1 . LEU 183 183 15352 1 . SER 184 184 15352 1 . SER 185 185 15352 1 . ARG 186 186 15352 1 . PRO 187 187 15352 1 . LYS 188 188 15352 1 . LEU 189 189 15352 1 . HIS 190 190 15352 1 . ALA 191 191 15352 1 . VAL 192 192 15352 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15352 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1076 plasmid . 'Rhodopseudomonas palustris' 'Rhodopseudomonas palustris' . . Bacteria . Rhodopseudomonas palustris . . . . . . . . . . . . . . . . . . . . . 15352 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 15352 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pet21 . . . . . . 15352 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15352 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 15352 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15352 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-50% 13C; U-50% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 15352 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 15352 _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' 300 . mM 15352 1 pH 7.0 . pH 15352 1 pressure 1 . atm 15352 1 temperature 298 . K 15352 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15352 _Software.ID 1 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15352 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15352 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15352 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15352 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15352 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15352 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15352 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15352 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15352 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15352 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15352 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15352 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15352 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15352 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15352 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15352 6 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 15352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15352 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15352 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15352 _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 Varian INOVA . 750 . . . 15352 1 2 spectrometer_2 Varian INOVA . 600 . . . 15352 1 3 spectrometer_3 Bruker DRX . 800 . . . 15352 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 15352 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 5 '3D simNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 6 '3D filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 1 7 '3D HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15352 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 15352 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15352 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15352 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15352 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 15352 _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 . _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-15N HSQC' . . . 15352 1 2 '3D HNCACB' . . . 15352 1 3 '3D CBCA(CO)NH' . . . 15352 1 5 '3D simNOESY' . . . 15352 1 7 '3D HCCH COSY' . . . 15352 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoAssign . . 15352 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 12 12 SER C C 13 180.000 0.000 . 1 . . . . 12 SER C . 15352 1 2 . 1 1 13 13 GLY H H 1 8.340 0.000 . 1 . . . . 13 GLY H . 15352 1 3 . 1 1 13 13 GLY HA2 H 1 3.930 0.000 . 2 . . . . 13 GLY HA2 . 15352 1 4 . 1 1 13 13 GLY HA3 H 1 3.950 0.000 . 2 . . . . 13 GLY HA3 . 15352 1 5 . 1 1 13 13 GLY C C 13 174.293 0.000 . 1 . . . . 13 GLY C . 15352 1 6 . 1 1 13 13 GLY CA C 13 45.390 0.000 . 1 . . . . 13 GLY CA . 15352 1 7 . 1 1 13 13 GLY N N 15 109.910 0.000 . 1 . . . . 13 GLY N . 15352 1 8 . 1 1 14 14 ARG H H 1 8.169 0.000 . 1 . . . . 14 ARG H . 15352 1 9 . 1 1 14 14 ARG HA H 1 4.308 0.000 . 1 . . . . 14 ARG HA . 15352 1 10 . 1 1 14 14 ARG HB2 H 1 1.721 0.000 . 2 . . . . 14 ARG HB2 . 15352 1 11 . 1 1 14 14 ARG HB3 H 1 1.850 0.000 . 2 . . . . 14 ARG HB3 . 15352 1 12 . 1 1 14 14 ARG HD2 H 1 3.130 0.000 . 2 . . . . 14 ARG HD2 . 15352 1 13 . 1 1 14 14 ARG HD3 H 1 3.151 0.000 . 2 . . . . 14 ARG HD3 . 15352 1 14 . 1 1 14 14 ARG HG2 H 1 1.563 0.000 . 2 . . . . 14 ARG HG2 . 15352 1 15 . 1 1 14 14 ARG HG3 H 1 1.598 0.000 . 2 . . . . 14 ARG HG3 . 15352 1 16 . 1 1 14 14 ARG C C 13 176.334 0.000 . 1 . . . . 14 ARG C . 15352 1 17 . 1 1 14 14 ARG CA C 13 56.009 0.000 . 1 . . . . 14 ARG CA . 15352 1 18 . 1 1 14 14 ARG CB C 13 30.820 0.000 . 1 . . . . 14 ARG CB . 15352 1 19 . 1 1 14 14 ARG CD C 13 43.100 0.000 . 1 . . . . 14 ARG CD . 15352 1 20 . 1 1 14 14 ARG CG C 13 27.310 0.000 . 1 . . . . 14 ARG CG . 15352 1 21 . 1 1 14 14 ARG N N 15 120.254 0.000 . 1 . . . . 14 ARG N . 15352 1 22 . 1 1 15 15 GLU H H 1 8.618 0.000 . 1 . . . . 15 GLU H . 15352 1 23 . 1 1 15 15 GLU HA H 1 4.215 0.000 . 1 . . . . 15 GLU HA . 15352 1 24 . 1 1 15 15 GLU HB2 H 1 1.938 0.000 . 2 . . . . 15 GLU HB2 . 15352 1 25 . 1 1 15 15 GLU HB3 H 1 2.017 0.000 . 2 . . . . 15 GLU HB3 . 15352 1 26 . 1 1 15 15 GLU HG2 H 1 2.257 0.000 . 2 . . . . 15 GLU HG2 . 15352 1 27 . 1 1 15 15 GLU HG3 H 1 2.255 0.000 . 2 . . . . 15 GLU HG3 . 15352 1 28 . 1 1 15 15 GLU C C 13 176.140 0.000 . 1 . . . . 15 GLU C . 15352 1 29 . 1 1 15 15 GLU CA C 13 57.051 0.000 . 1 . . . . 15 GLU CA . 15352 1 30 . 1 1 15 15 GLU CB C 13 30.032 0.000 . 1 . . . . 15 GLU CB . 15352 1 31 . 1 1 15 15 GLU CG C 13 36.010 0.000 . 1 . . . . 15 GLU CG . 15352 1 32 . 1 1 15 15 GLU N N 15 121.026 0.000 . 1 . . . . 15 GLU N . 15352 1 33 . 1 1 16 16 ASN H H 1 8.415 0.000 . 1 . . . . 16 ASN H . 15352 1 34 . 1 1 16 16 ASN HA H 1 4.665 0.000 . 1 . . . . 16 ASN HA . 15352 1 35 . 1 1 16 16 ASN HB2 H 1 2.714 0.004 . 2 . . . . 16 ASN HB2 . 15352 1 36 . 1 1 16 16 ASN HB3 H 1 2.792 0.005 . 2 . . . . 16 ASN HB3 . 15352 1 37 . 1 1 16 16 ASN HD21 H 1 7.578 0.000 . 2 . . . . 16 ASN HD21 . 15352 1 38 . 1 1 16 16 ASN HD22 H 1 6.891 0.000 . 2 . . . . 16 ASN HD22 . 15352 1 39 . 1 1 16 16 ASN C C 13 175.216 0.000 . 1 . . . . 16 ASN C . 15352 1 40 . 1 1 16 16 ASN CA C 13 53.212 0.000 . 1 . . . . 16 ASN CA . 15352 1 41 . 1 1 16 16 ASN CB C 13 38.846 0.000 . 1 . . . . 16 ASN CB . 15352 1 42 . 1 1 16 16 ASN N N 15 119.204 0.000 . 1 . . . . 16 ASN N . 15352 1 43 . 1 1 16 16 ASN ND2 N 15 112.592 0.000 . 1 . . . . 16 ASN ND2 . 15352 1 44 . 1 1 17 17 LEU H H 1 8.133 0.000 . 1 . . . . 17 LEU H . 15352 1 45 . 1 1 17 17 LEU HA H 1 4.222 0.000 . 1 . . . . 17 LEU HA . 15352 1 46 . 1 1 17 17 LEU HB2 H 1 1.512 0.000 . 2 . . . . 17 LEU HB2 . 15352 1 47 . 1 1 17 17 LEU HB3 H 1 1.387 0.000 . 2 . . . . 17 LEU HB3 . 15352 1 48 . 1 1 17 17 LEU HD11 H 1 0.822 0.000 . 2 . . . . 17 LEU QD1 . 15352 1 49 . 1 1 17 17 LEU HD12 H 1 0.822 0.000 . 2 . . . . 17 LEU QD1 . 15352 1 50 . 1 1 17 17 LEU HD13 H 1 0.822 0.000 . 2 . . . . 17 LEU QD1 . 15352 1 51 . 1 1 17 17 LEU HD21 H 1 0.768 0.000 . 2 . . . . 17 LEU QD2 . 15352 1 52 . 1 1 17 17 LEU HD22 H 1 0.768 0.000 . 2 . . . . 17 LEU QD2 . 15352 1 53 . 1 1 17 17 LEU HD23 H 1 0.768 0.000 . 2 . . . . 17 LEU QD2 . 15352 1 54 . 1 1 17 17 LEU HG H 1 1.460 0.000 . 1 . . . . 17 LEU HG . 15352 1 55 . 1 1 17 17 LEU C C 13 177.387 0.000 . 1 . . . . 17 LEU C . 15352 1 56 . 1 1 17 17 LEU CA C 13 55.686 0.000 . 1 . . . . 17 LEU CA . 15352 1 57 . 1 1 17 17 LEU CB C 13 41.967 0.000 . 1 . . . . 17 LEU CB . 15352 1 58 . 1 1 17 17 LEU CD1 C 13 24.889 0.000 . 1 . . . . 17 LEU CD1 . 15352 1 59 . 1 1 17 17 LEU CD2 C 13 23.296 0.000 . 1 . . . . 17 LEU CD2 . 15352 1 60 . 1 1 17 17 LEU CG C 13 26.743 0.000 . 1 . . . . 17 LEU CG . 15352 1 61 . 1 1 17 17 LEU N N 15 122.265 0.000 . 1 . . . . 17 LEU N . 15352 1 62 . 1 1 18 18 TYR H H 1 8.028 0.004 . 1 . . . . 18 TYR H . 15352 1 63 . 1 1 18 18 TYR HA H 1 4.264 0.000 . 1 . . . . 18 TYR HA . 15352 1 64 . 1 1 18 18 TYR HB2 H 1 2.593 0.000 . 2 . . . . 18 TYR HB2 . 15352 1 65 . 1 1 18 18 TYR HB3 H 1 2.571 0.000 . 2 . . . . 18 TYR HB3 . 15352 1 66 . 1 1 18 18 TYR HD1 H 1 6.812 0.007 . 1 . . . . 18 TYR HD1 . 15352 1 67 . 1 1 18 18 TYR HD2 H 1 6.812 0.007 . 1 . . . . 18 TYR HD2 . 15352 1 68 . 1 1 18 18 TYR HE1 H 1 6.708 0.003 . 1 . . . . 18 TYR HE1 . 15352 1 69 . 1 1 18 18 TYR HE2 H 1 6.708 0.003 . 1 . . . . 18 TYR HE2 . 15352 1 70 . 1 1 18 18 TYR C C 13 175.848 0.000 . 1 . . . . 18 TYR C . 15352 1 71 . 1 1 18 18 TYR CA C 13 59.441 0.000 . 1 . . . . 18 TYR CA . 15352 1 72 . 1 1 18 18 TYR CB C 13 38.655 0.000 . 1 . . . . 18 TYR CB . 15352 1 73 . 1 1 18 18 TYR CD1 C 13 132.697 0.000 . 1 . . . . 18 TYR CD1 . 15352 1 74 . 1 1 18 18 TYR CE1 C 13 118.039 0.000 . 1 . . . . 18 TYR CE1 . 15352 1 75 . 1 1 18 18 TYR N N 15 119.100 0.000 . 1 . . . . 18 TYR N . 15352 1 76 . 1 1 19 19 PHE H H 1 7.943 0.004 . 1 . . . . 19 PHE H . 15352 1 77 . 1 1 19 19 PHE HA H 1 4.676 0.000 . 1 . . . . 19 PHE HA . 15352 1 78 . 1 1 19 19 PHE HB2 H 1 3.290 0.000 . 2 . . . . 19 PHE HB2 . 15352 1 79 . 1 1 19 19 PHE HB3 H 1 2.929 0.000 . 2 . . . . 19 PHE HB3 . 15352 1 80 . 1 1 19 19 PHE HD1 H 1 7.325 0.002 . 1 . . . . 19 PHE HD1 . 15352 1 81 . 1 1 19 19 PHE HD2 H 1 7.325 0.002 . 1 . . . . 19 PHE HD2 . 15352 1 82 . 1 1 19 19 PHE HE1 H 1 7.323 0.006 . 1 . . . . 19 PHE HE1 . 15352 1 83 . 1 1 19 19 PHE HE2 H 1 7.323 0.006 . 1 . . . . 19 PHE HE2 . 15352 1 84 . 1 1 19 19 PHE HZ H 1 7.155 0.002 . 1 . . . . 19 PHE HZ . 15352 1 85 . 1 1 19 19 PHE C C 13 176.042 0.000 . 1 . . . . 19 PHE C . 15352 1 86 . 1 1 19 19 PHE CA C 13 57.430 0.000 . 1 . . . . 19 PHE CA . 15352 1 87 . 1 1 19 19 PHE CB C 13 39.177 0.000 . 1 . . . . 19 PHE CB . 15352 1 88 . 1 1 19 19 PHE CD1 C 13 131.969 0.000 . 1 . . . . 19 PHE CD1 . 15352 1 89 . 1 1 19 19 PHE CE1 C 13 131.141 0.000 . 1 . . . . 19 PHE CE1 . 15352 1 90 . 1 1 19 19 PHE CZ C 13 129.448 0.000 . 1 . . . . 19 PHE CZ . 15352 1 91 . 1 1 19 19 PHE N N 15 116.854 0.000 . 1 . . . . 19 PHE N . 15352 1 92 . 1 1 20 20 GLN H H 1 7.979 0.000 . 1 . . . . 20 GLN H . 15352 1 93 . 1 1 20 20 GLN HA H 1 4.160 0.000 . 1 . . . . 20 GLN HA . 15352 1 94 . 1 1 20 20 GLN HB2 H 1 2.088 0.000 . 2 . . . . 20 GLN HB2 . 15352 1 95 . 1 1 20 20 GLN HB3 H 1 2.028 0.000 . 2 . . . . 20 GLN HB3 . 15352 1 96 . 1 1 20 20 GLN HE21 H 1 7.517 0.000 . 2 . . . . 20 GLN HE21 . 15352 1 97 . 1 1 20 20 GLN HE22 H 1 6.876 0.000 . 2 . . . . 20 GLN HE22 . 15352 1 98 . 1 1 20 20 GLN HG2 H 1 2.346 0.003 . 2 . . . . 20 GLN HG2 . 15352 1 99 . 1 1 20 20 GLN HG3 H 1 2.346 0.000 . 2 . . . . 20 GLN HG3 . 15352 1 100 . 1 1 20 20 GLN C C 13 176.285 0.000 . 1 . . . . 20 GLN C . 15352 1 101 . 1 1 20 20 GLN CA C 13 57.042 0.000 . 1 . . . . 20 GLN CA . 15352 1 102 . 1 1 20 20 GLN CB C 13 28.813 0.000 . 1 . . . . 20 GLN CB . 15352 1 103 . 1 1 20 20 GLN CG C 13 33.720 0.000 . 1 . . . . 20 GLN CG . 15352 1 104 . 1 1 20 20 GLN N N 15 121.346 0.000 . 1 . . . . 20 GLN N . 15352 1 105 . 1 1 20 20 GLN NE2 N 15 112.077 0.000 . 1 . . . . 20 GLN NE2 . 15352 1 106 . 1 1 21 21 GLY H H 1 8.455 0.000 . 1 . . . . 21 GLY H . 15352 1 107 . 1 1 21 21 GLY HA2 H 1 3.883 0.000 . 2 . . . . 21 GLY HA2 . 15352 1 108 . 1 1 21 21 GLY HA3 H 1 4.028 0.000 . 2 . . . . 21 GLY HA3 . 15352 1 109 . 1 1 21 21 GLY C C 13 173.921 0.000 . 1 . . . . 21 GLY C . 15352 1 110 . 1 1 21 21 GLY CA C 13 45.414 0.000 . 1 . . . . 21 GLY CA . 15352 1 111 . 1 1 21 21 GLY N N 15 110.159 0.000 . 1 . . . . 21 GLY N . 15352 1 112 . 1 1 22 22 MET H H 1 7.834 0.000 . 1 . . . . 22 MET H . 15352 1 113 . 1 1 22 22 MET HA H 1 4.638 0.004 . 1 . . . . 22 MET HA . 15352 1 114 . 1 1 22 22 MET HB2 H 1 2.149 0.000 . 2 . . . . 22 MET HB2 . 15352 1 115 . 1 1 22 22 MET HB3 H 1 2.099 0.000 . 2 . . . . 22 MET HB3 . 15352 1 116 . 1 1 22 22 MET HE1 H 1 2.085 0.005 . 1 . . . . 22 MET QE . 15352 1 117 . 1 1 22 22 MET HE2 H 1 2.085 0.005 . 1 . . . . 22 MET QE . 15352 1 118 . 1 1 22 22 MET HE3 H 1 2.085 0.005 . 1 . . . . 22 MET QE . 15352 1 119 . 1 1 22 22 MET HG2 H 1 2.597 0.002 . 2 . . . . 22 MET HG2 . 15352 1 120 . 1 1 22 22 MET HG3 H 1 2.604 0.000 . 2 . . . . 22 MET HG3 . 15352 1 121 . 1 1 22 22 MET C C 13 176.771 0.000 . 1 . . . . 22 MET C . 15352 1 122 . 1 1 22 22 MET CA C 13 55.492 0.000 . 1 . . . . 22 MET CA . 15352 1 123 . 1 1 22 22 MET CB C 13 34.388 0.000 . 1 . . . . 22 MET CB . 15352 1 124 . 1 1 22 22 MET CE C 13 17.378 0.000 . 1 . . . . 22 MET CE . 15352 1 125 . 1 1 22 22 MET CG C 13 32.265 0.000 . 1 . . . . 22 MET CG . 15352 1 126 . 1 1 22 22 MET N N 15 118.907 0.000 . 1 . . . . 22 MET N . 15352 1 127 . 1 1 23 23 THR H H 1 8.366 0.002 . 1 . . . . 23 THR H . 15352 1 128 . 1 1 23 23 THR HA H 1 4.348 0.000 . 1 . . . . 23 THR HA . 15352 1 129 . 1 1 23 23 THR HB H 1 4.503 0.000 . 1 . . . . 23 THR HB . 15352 1 130 . 1 1 23 23 THR HG21 H 1 1.298 0.004 . 1 . . . . 23 THR QG2 . 15352 1 131 . 1 1 23 23 THR HG22 H 1 1.298 0.004 . 1 . . . . 23 THR QG2 . 15352 1 132 . 1 1 23 23 THR HG23 H 1 1.298 0.004 . 1 . . . . 23 THR QG2 . 15352 1 133 . 1 1 23 23 THR C C 13 174.682 0.000 . 1 . . . . 23 THR C . 15352 1 134 . 1 1 23 23 THR CA C 13 61.534 0.000 . 1 . . . . 23 THR CA . 15352 1 135 . 1 1 23 23 THR CB C 13 70.180 0.000 . 1 . . . . 23 THR CB . 15352 1 136 . 1 1 23 23 THR CG2 C 13 21.787 0.000 . 1 . . . . 23 THR CG2 . 15352 1 137 . 1 1 23 23 THR N N 15 114.179 0.000 . 1 . . . . 23 THR N . 15352 1 138 . 1 1 24 24 ASP H H 1 8.674 0.000 . 1 . . . . 24 ASP H . 15352 1 139 . 1 1 24 24 ASP HA H 1 4.467 0.003 . 1 . . . . 24 ASP HA . 15352 1 140 . 1 1 24 24 ASP HB2 H 1 2.740 0.000 . 2 . . . . 24 ASP HB2 . 15352 1 141 . 1 1 24 24 ASP HB3 H 1 2.669 0.000 . 2 . . . . 24 ASP HB3 . 15352 1 142 . 1 1 24 24 ASP C C 13 178.180 0.000 . 1 . . . . 24 ASP C . 15352 1 143 . 1 1 24 24 ASP CA C 13 56.665 0.000 . 1 . . . . 24 ASP CA . 15352 1 144 . 1 1 24 24 ASP CB C 13 40.409 0.000 . 1 . . . . 24 ASP CB . 15352 1 145 . 1 1 24 24 ASP N N 15 121.467 0.000 . 1 . . . . 24 ASP N . 15352 1 146 . 1 1 25 25 THR H H 1 8.067 0.000 . 1 . . . . 25 THR H . 15352 1 147 . 1 1 25 25 THR HA H 1 4.078 0.002 . 1 . . . . 25 THR HA . 15352 1 148 . 1 1 25 25 THR HB H 1 4.103 0.002 . 1 . . . . 25 THR HB . 15352 1 149 . 1 1 25 25 THR HG21 H 1 1.229 0.005 . 1 . . . . 25 THR QG2 . 15352 1 150 . 1 1 25 25 THR HG22 H 1 1.229 0.005 . 1 . . . . 25 THR QG2 . 15352 1 151 . 1 1 25 25 THR HG23 H 1 1.229 0.005 . 1 . . . . 25 THR QG2 . 15352 1 152 . 1 1 25 25 THR C C 13 180.000 0.000 . 1 . . . . 25 THR C . 15352 1 153 . 1 1 25 25 THR CA C 13 64.171 0.000 . 1 . . . . 25 THR CA . 15352 1 154 . 1 1 25 25 THR CB C 13 68.601 0.000 . 1 . . . . 25 THR CB . 15352 1 155 . 1 1 25 25 THR CG2 C 13 21.880 0.000 . 1 . . . . 25 THR CG2 . 15352 1 156 . 1 1 25 25 THR N N 15 113.822 0.000 . 1 . . . . 25 THR N . 15352 1 157 . 1 1 26 26 ALA H H 1 8.021 0.004 . 1 . . . . 26 ALA H . 15352 1 158 . 1 1 26 26 ALA HA H 1 4.065 0.004 . 1 . . . . 26 ALA HA . 15352 1 159 . 1 1 26 26 ALA HB1 H 1 1.354 0.000 . 1 . . . . 26 ALA QB . 15352 1 160 . 1 1 26 26 ALA HB2 H 1 1.354 0.000 . 1 . . . . 26 ALA QB . 15352 1 161 . 1 1 26 26 ALA HB3 H 1 1.354 0.000 . 1 . . . . 26 ALA QB . 15352 1 162 . 1 1 26 26 ALA C C 13 175.492 0.000 . 1 . . . . 26 ALA C . 15352 1 163 . 1 1 26 26 ALA CA C 13 55.142 0.000 . 1 . . . . 26 ALA CA . 15352 1 164 . 1 1 26 26 ALA CB C 13 18.380 0.000 . 1 . . . . 26 ALA CB . 15352 1 165 . 1 1 26 26 ALA N N 15 117.819 0.049 . 1 . . . . 26 ALA N . 15352 1 166 . 1 1 27 27 ALA H H 1 7.888 0.005 . 1 . . . . 27 ALA H . 15352 1 167 . 1 1 27 27 ALA HA H 1 4.188 0.000 . 1 . . . . 27 ALA HA . 15352 1 168 . 1 1 27 27 ALA HB1 H 1 1.370 0.000 . 1 . . . . 27 ALA QB . 15352 1 169 . 1 1 27 27 ALA HB2 H 1 1.370 0.000 . 1 . . . . 27 ALA QB . 15352 1 170 . 1 1 27 27 ALA HB3 H 1 1.370 0.000 . 1 . . . . 27 ALA QB . 15352 1 171 . 1 1 27 27 ALA C C 13 179.039 0.000 . 1 . . . . 27 ALA C . 15352 1 172 . 1 1 27 27 ALA CA C 13 54.471 0.000 . 1 . . . . 27 ALA CA . 15352 1 173 . 1 1 27 27 ALA CB C 13 18.835 0.172 . 1 . . . . 27 ALA CB . 15352 1 174 . 1 1 27 27 ALA N N 15 125.874 0.000 . 1 . . . . 27 ALA N . 15352 1 175 . 1 1 28 28 GLU H H 1 8.334 0.000 . 1 . . . . 28 GLU H . 15352 1 176 . 1 1 28 28 GLU HA H 1 4.049 0.003 . 1 . . . . 28 GLU HA . 15352 1 177 . 1 1 28 28 GLU HB2 H 1 2.104 0.005 . 2 . . . . 28 GLU HB2 . 15352 1 178 . 1 1 28 28 GLU HB3 H 1 2.053 0.000 . 2 . . . . 28 GLU HB3 . 15352 1 179 . 1 1 28 28 GLU HG2 H 1 2.344 0.000 . 2 . . . . 28 GLU HG2 . 15352 1 180 . 1 1 28 28 GLU HG3 H 1 2.344 0.004 . 2 . . . . 28 GLU HG3 . 15352 1 181 . 1 1 28 28 GLU C C 13 178.763 0.000 . 1 . . . . 28 GLU C . 15352 1 182 . 1 1 28 28 GLU CA C 13 58.714 0.035 . 1 . . . . 28 GLU CA . 15352 1 183 . 1 1 28 28 GLU CB C 13 29.115 0.000 . 1 . . . . 28 GLU CB . 15352 1 184 . 1 1 28 28 GLU CG C 13 36.010 0.000 . 1 . . . . 28 GLU CG . 15352 1 185 . 1 1 28 28 GLU N N 15 120.685 0.012 . 1 . . . . 28 GLU N . 15352 1 186 . 1 1 29 29 ASP H H 1 7.919 0.000 . 1 . . . . 29 ASP H . 15352 1 187 . 1 1 29 29 ASP HA H 1 4.421 0.003 . 1 . . . . 29 ASP HA . 15352 1 188 . 1 1 29 29 ASP HB2 H 1 3.131 0.000 . 2 . . . . 29 ASP HB2 . 15352 1 189 . 1 1 29 29 ASP HB3 H 1 3.134 0.003 . 2 . . . . 29 ASP HB3 . 15352 1 190 . 1 1 29 29 ASP C C 13 178.375 0.000 . 1 . . . . 29 ASP C . 15352 1 191 . 1 1 29 29 ASP CA C 13 57.688 0.000 . 1 . . . . 29 ASP CA . 15352 1 192 . 1 1 29 29 ASP CB C 13 40.264 0.000 . 1 . . . . 29 ASP CB . 15352 1 193 . 1 1 29 29 ASP N N 15 121.795 0.000 . 1 . . . . 29 ASP N . 15352 1 194 . 1 1 30 30 VAL H H 1 7.957 0.000 . 1 . . . . 30 VAL H . 15352 1 195 . 1 1 30 30 VAL HA H 1 3.451 0.000 . 1 . . . . 30 VAL HA . 15352 1 196 . 1 1 30 30 VAL HB H 1 2.299 0.000 . 1 . . . . 30 VAL HB . 15352 1 197 . 1 1 30 30 VAL HG11 H 1 0.933 0.006 . 2 . . . . 30 VAL QG1 . 15352 1 198 . 1 1 30 30 VAL HG12 H 1 0.933 0.006 . 2 . . . . 30 VAL QG1 . 15352 1 199 . 1 1 30 30 VAL HG13 H 1 0.933 0.006 . 2 . . . . 30 VAL QG1 . 15352 1 200 . 1 1 30 30 VAL HG21 H 1 1.065 0.004 . 2 . . . . 30 VAL QG2 . 15352 1 201 . 1 1 30 30 VAL HG22 H 1 1.065 0.004 . 2 . . . . 30 VAL QG2 . 15352 1 202 . 1 1 30 30 VAL HG23 H 1 1.065 0.004 . 2 . . . . 30 VAL QG2 . 15352 1 203 . 1 1 30 30 VAL C C 13 177.954 0.000 . 1 . . . . 30 VAL C . 15352 1 204 . 1 1 30 30 VAL CA C 13 66.904 0.000 . 1 . . . . 30 VAL CA . 15352 1 205 . 1 1 30 30 VAL CB C 13 31.244 0.000 . 1 . . . . 30 VAL CB . 15352 1 206 . 1 1 30 30 VAL CG1 C 13 22.328 0.092 . 1 . . . . 30 VAL CG1 . 15352 1 207 . 1 1 30 30 VAL CG2 C 13 23.710 0.000 . 1 . . . . 30 VAL CG2 . 15352 1 208 . 1 1 30 30 VAL N N 15 119.119 0.000 . 1 . . . . 30 VAL N . 15352 1 209 . 1 1 31 31 ARG H H 1 8.156 0.000 . 1 . . . . 31 ARG H . 15352 1 210 . 1 1 31 31 ARG HA H 1 3.807 0.004 . 1 . . . . 31 ARG HA . 15352 1 211 . 1 1 31 31 ARG HB2 H 1 1.830 0.000 . 2 . . . . 31 ARG HB2 . 15352 1 212 . 1 1 31 31 ARG HB3 H 1 1.837 0.000 . 2 . . . . 31 ARG HB3 . 15352 1 213 . 1 1 31 31 ARG HD2 H 1 3.130 0.000 . 2 . . . . 31 ARG HD2 . 15352 1 214 . 1 1 31 31 ARG HD3 H 1 3.130 0.000 . 2 . . . . 31 ARG HD3 . 15352 1 215 . 1 1 31 31 ARG HG2 H 1 1.448 0.000 . 2 . . . . 31 ARG HG2 . 15352 1 216 . 1 1 31 31 ARG HG3 H 1 1.443 0.000 . 2 . . . . 31 ARG HG3 . 15352 1 217 . 1 1 31 31 ARG C C 13 179.346 0.000 . 1 . . . . 31 ARG C . 15352 1 218 . 1 1 31 31 ARG CA C 13 60.558 0.000 . 1 . . . . 31 ARG CA . 15352 1 219 . 1 1 31 31 ARG CB C 13 32.132 0.000 . 1 . . . . 31 ARG CB . 15352 1 220 . 1 1 31 31 ARG CD C 13 43.100 0.000 . 1 . . . . 31 ARG CD . 15352 1 221 . 1 1 31 31 ARG CG C 13 27.310 0.000 . 1 . . . . 31 ARG CG . 15352 1 222 . 1 1 31 31 ARG N N 15 119.202 0.000 . 1 . . . . 31 ARG N . 15352 1 223 . 1 1 32 32 LYS H H 1 8.427 0.000 . 1 . . . . 32 LYS H . 15352 1 224 . 1 1 32 32 LYS HA H 1 4.058 0.006 . 1 . . . . 32 LYS HA . 15352 1 225 . 1 1 32 32 LYS HB2 H 1 1.741 0.000 . 2 . . . . 32 LYS HB2 . 15352 1 226 . 1 1 32 32 LYS HB3 H 1 2.221 0.000 . 2 . . . . 32 LYS HB3 . 15352 1 227 . 1 1 32 32 LYS HD2 H 1 1.710 0.000 . 2 . . . . 32 LYS HD2 . 15352 1 228 . 1 1 32 32 LYS HD3 H 1 1.708 0.000 . 2 . . . . 32 LYS HD3 . 15352 1 229 . 1 1 32 32 LYS HE2 H 1 2.951 0.000 . 2 . . . . 32 LYS HE2 . 15352 1 230 . 1 1 32 32 LYS HE3 H 1 2.953 0.000 . 2 . . . . 32 LYS HE3 . 15352 1 231 . 1 1 32 32 LYS HG2 H 1 1.392 0.000 . 2 . . . . 32 LYS HG2 . 15352 1 232 . 1 1 32 32 LYS HG3 H 1 1.804 0.000 . 2 . . . . 32 LYS HG3 . 15352 1 233 . 1 1 32 32 LYS C C 13 180.594 0.000 . 1 . . . . 32 LYS C . 15352 1 234 . 1 1 32 32 LYS CA C 13 60.367 0.000 . 1 . . . . 32 LYS CA . 15352 1 235 . 1 1 32 32 LYS CB C 13 33.060 0.000 . 1 . . . . 32 LYS CB . 15352 1 236 . 1 1 32 32 LYS CD C 13 29.691 0.000 . 1 . . . . 32 LYS CD . 15352 1 237 . 1 1 32 32 LYS CE C 13 42.246 0.000 . 1 . . . . 32 LYS CE . 15352 1 238 . 1 1 32 32 LYS CG C 13 26.276 0.000 . 1 . . . . 32 LYS CG . 15352 1 239 . 1 1 32 32 LYS N N 15 120.640 0.000 . 1 . . . . 32 LYS N . 15352 1 240 . 1 1 33 33 ILE H H 1 7.897 0.000 . 1 . . . . 33 ILE H . 15352 1 241 . 1 1 33 33 ILE HA H 1 3.872 0.003 . 1 . . . . 33 ILE HA . 15352 1 242 . 1 1 33 33 ILE HB H 1 1.845 0.000 . 1 . . . . 33 ILE HB . 15352 1 243 . 1 1 33 33 ILE HD11 H 1 0.733 0.000 . 1 . . . . 33 ILE QD1 . 15352 1 244 . 1 1 33 33 ILE HD12 H 1 0.733 0.000 . 1 . . . . 33 ILE QD1 . 15352 1 245 . 1 1 33 33 ILE HD13 H 1 0.733 0.000 . 1 . . . . 33 ILE QD1 . 15352 1 246 . 1 1 33 33 ILE HG12 H 1 1.481 0.000 . 2 . . . . 33 ILE HG12 . 15352 1 247 . 1 1 33 33 ILE HG13 H 1 1.368 0.002 . 2 . . . . 33 ILE HG13 . 15352 1 248 . 1 1 33 33 ILE HG21 H 1 0.834 0.000 . 1 . . . . 33 ILE QG2 . 15352 1 249 . 1 1 33 33 ILE HG22 H 1 0.834 0.000 . 1 . . . . 33 ILE QG2 . 15352 1 250 . 1 1 33 33 ILE HG23 H 1 0.834 0.000 . 1 . . . . 33 ILE QG2 . 15352 1 251 . 1 1 33 33 ILE C C 13 176.706 0.000 . 1 . . . . 33 ILE C . 15352 1 252 . 1 1 33 33 ILE CA C 13 65.041 0.000 . 1 . . . . 33 ILE CA . 15352 1 253 . 1 1 33 33 ILE CB C 13 38.031 0.000 . 1 . . . . 33 ILE CB . 15352 1 254 . 1 1 33 33 ILE CD1 C 13 14.940 0.000 . 1 . . . . 33 ILE CD1 . 15352 1 255 . 1 1 33 33 ILE CG1 C 13 27.650 0.000 . 1 . . . . 33 ILE CG1 . 15352 1 256 . 1 1 33 33 ILE CG2 C 13 18.393 0.000 . 1 . . . . 33 ILE CG2 . 15352 1 257 . 1 1 33 33 ILE N N 15 115.938 0.000 . 1 . . . . 33 ILE N . 15352 1 258 . 1 1 34 34 ALA H H 1 8.349 0.006 . 1 . . . . 34 ALA H . 15352 1 259 . 1 1 34 34 ALA HA H 1 3.893 0.007 . 1 . . . . 34 ALA HA . 15352 1 260 . 1 1 34 34 ALA HB1 H 1 1.477 0.000 . 1 . . . . 34 ALA QB . 15352 1 261 . 1 1 34 34 ALA HB2 H 1 1.477 0.000 . 1 . . . . 34 ALA QB . 15352 1 262 . 1 1 34 34 ALA HB3 H 1 1.477 0.000 . 1 . . . . 34 ALA QB . 15352 1 263 . 1 1 34 34 ALA C C 13 178.099 0.000 . 1 . . . . 34 ALA C . 15352 1 264 . 1 1 34 34 ALA CA C 13 55.685 0.000 . 1 . . . . 34 ALA CA . 15352 1 265 . 1 1 34 34 ALA CB C 13 17.976 0.000 . 1 . . . . 34 ALA CB . 15352 1 266 . 1 1 34 34 ALA N N 15 123.987 0.000 . 1 . . . . 34 ALA N . 15352 1 267 . 1 1 35 35 THR H H 1 8.480 0.000 . 1 . . . . 35 THR H . 15352 1 268 . 1 1 35 35 THR HA H 1 3.709 0.000 . 1 . . . . 35 THR HA . 15352 1 269 . 1 1 35 35 THR HB H 1 4.212 0.000 . 1 . . . . 35 THR HB . 15352 1 270 . 1 1 35 35 THR HG21 H 1 1.261 0.001 . 1 . . . . 35 THR QG2 . 15352 1 271 . 1 1 35 35 THR HG22 H 1 1.261 0.001 . 1 . . . . 35 THR QG2 . 15352 1 272 . 1 1 35 35 THR HG23 H 1 1.261 0.001 . 1 . . . . 35 THR QG2 . 15352 1 273 . 1 1 35 35 THR C C 13 176.528 0.000 . 1 . . . . 35 THR C . 15352 1 274 . 1 1 35 35 THR CA C 13 66.808 0.000 . 1 . . . . 35 THR CA . 15352 1 275 . 1 1 35 35 THR CB C 13 68.931 0.000 . 1 . . . . 35 THR CB . 15352 1 276 . 1 1 35 35 THR CG2 C 13 21.440 0.000 . 1 . . . . 35 THR CG2 . 15352 1 277 . 1 1 35 35 THR N N 15 113.387 0.000 . 1 . . . . 35 THR N . 15352 1 278 . 1 1 36 36 ALA H H 1 7.687 0.000 . 1 . . . . 36 ALA H . 15352 1 279 . 1 1 36 36 ALA HA H 1 4.101 0.005 . 1 . . . . 36 ALA HA . 15352 1 280 . 1 1 36 36 ALA HB1 H 1 1.531 0.003 . 1 . . . . 36 ALA QB . 15352 1 281 . 1 1 36 36 ALA HB2 H 1 1.531 0.003 . 1 . . . . 36 ALA QB . 15352 1 282 . 1 1 36 36 ALA HB3 H 1 1.531 0.003 . 1 . . . . 36 ALA QB . 15352 1 283 . 1 1 36 36 ALA C C 13 179.346 0.000 . 1 . . . . 36 ALA C . 15352 1 284 . 1 1 36 36 ALA CA C 13 54.602 0.000 . 1 . . . . 36 ALA CA . 15352 1 285 . 1 1 36 36 ALA CB C 13 19.379 0.000 . 1 . . . . 36 ALA CB . 15352 1 286 . 1 1 36 36 ALA N N 15 123.230 0.000 . 1 . . . . 36 ALA N . 15352 1 287 . 1 1 37 37 LEU H H 1 8.260 0.000 . 1 . . . . 37 LEU H . 15352 1 288 . 1 1 37 37 LEU HA H 1 4.171 0.002 . 1 . . . . 37 LEU HA . 15352 1 289 . 1 1 37 37 LEU HB2 H 1 1.361 0.000 . 2 . . . . 37 LEU HB2 . 15352 1 290 . 1 1 37 37 LEU HB3 H 1 1.502 0.000 . 2 . . . . 37 LEU HB3 . 15352 1 291 . 1 1 37 37 LEU HD11 H 1 0.831 0.000 . 2 . . . . 37 LEU QD1 . 15352 1 292 . 1 1 37 37 LEU HD12 H 1 0.831 0.000 . 2 . . . . 37 LEU QD1 . 15352 1 293 . 1 1 37 37 LEU HD13 H 1 0.831 0.000 . 2 . . . . 37 LEU QD1 . 15352 1 294 . 1 1 37 37 LEU HD21 H 1 0.784 0.004 . 2 . . . . 37 LEU QD2 . 15352 1 295 . 1 1 37 37 LEU HD22 H 1 0.784 0.004 . 2 . . . . 37 LEU QD2 . 15352 1 296 . 1 1 37 37 LEU HD23 H 1 0.784 0.004 . 2 . . . . 37 LEU QD2 . 15352 1 297 . 1 1 37 37 LEU HG H 1 1.945 0.001 . 1 . . . . 37 LEU HG . 15352 1 298 . 1 1 37 37 LEU C C 13 177.532 0.000 . 1 . . . . 37 LEU C . 15352 1 299 . 1 1 37 37 LEU CA C 13 57.048 0.000 . 1 . . . . 37 LEU CA . 15352 1 300 . 1 1 37 37 LEU CB C 13 41.085 0.000 . 1 . . . . 37 LEU CB . 15352 1 301 . 1 1 37 37 LEU CD1 C 13 24.194 0.000 . 1 . . . . 37 LEU CD1 . 15352 1 302 . 1 1 37 37 LEU CD2 C 13 26.871 0.000 . 1 . . . . 37 LEU CD2 . 15352 1 303 . 1 1 37 37 LEU CG C 13 26.770 0.000 . 1 . . . . 37 LEU CG . 15352 1 304 . 1 1 37 37 LEU N N 15 120.644 0.000 . 1 . . . . 37 LEU N . 15352 1 305 . 1 1 38 38 LEU H H 1 7.520 0.000 . 1 . . . . 38 LEU H . 15352 1 306 . 1 1 38 38 LEU HA H 1 3.863 0.000 . 1 . . . . 38 LEU HA . 15352 1 307 . 1 1 38 38 LEU HB2 H 1 1.901 0.000 . 2 . . . . 38 LEU HB2 . 15352 1 308 . 1 1 38 38 LEU HB3 H 1 1.568 0.007 . 2 . . . . 38 LEU HB3 . 15352 1 309 . 1 1 38 38 LEU HD11 H 1 0.854 0.000 . 2 . . . . 38 LEU QD1 . 15352 1 310 . 1 1 38 38 LEU HD12 H 1 0.854 0.000 . 2 . . . . 38 LEU QD1 . 15352 1 311 . 1 1 38 38 LEU HD13 H 1 0.854 0.000 . 2 . . . . 38 LEU QD1 . 15352 1 312 . 1 1 38 38 LEU HD21 H 1 0.821 0.004 . 2 . . . . 38 LEU QD2 . 15352 1 313 . 1 1 38 38 LEU HD22 H 1 0.821 0.004 . 2 . . . . 38 LEU QD2 . 15352 1 314 . 1 1 38 38 LEU HD23 H 1 0.821 0.004 . 2 . . . . 38 LEU QD2 . 15352 1 315 . 1 1 38 38 LEU HG H 1 1.757 0.000 . 1 . . . . 38 LEU HG . 15352 1 316 . 1 1 38 38 LEU C C 13 179.136 0.000 . 1 . . . . 38 LEU C . 15352 1 317 . 1 1 38 38 LEU CA C 13 57.889 0.000 . 1 . . . . 38 LEU CA . 15352 1 318 . 1 1 38 38 LEU CB C 13 40.710 0.000 . 1 . . . . 38 LEU CB . 15352 1 319 . 1 1 38 38 LEU CD1 C 13 25.812 0.000 . 1 . . . . 38 LEU CD1 . 15352 1 320 . 1 1 38 38 LEU CD2 C 13 24.303 0.000 . 1 . . . . 38 LEU CD2 . 15352 1 321 . 1 1 38 38 LEU CG C 13 26.770 0.000 . 1 . . . . 38 LEU CG . 15352 1 322 . 1 1 38 38 LEU N N 15 116.147 0.000 . 1 . . . . 38 LEU N . 15352 1 323 . 1 1 39 39 LYS H H 1 7.500 0.000 . 1 . . . . 39 LYS H . 15352 1 324 . 1 1 39 39 LYS HA H 1 4.318 0.000 . 1 . . . . 39 LYS HA . 15352 1 325 . 1 1 39 39 LYS HB2 H 1 1.994 0.003 . 2 . . . . 39 LYS HB2 . 15352 1 326 . 1 1 39 39 LYS HB3 H 1 1.995 0.000 . 2 . . . . 39 LYS HB3 . 15352 1 327 . 1 1 39 39 LYS HD2 H 1 1.685 0.002 . 2 . . . . 39 LYS HD2 . 15352 1 328 . 1 1 39 39 LYS HD3 H 1 1.683 0.000 . 2 . . . . 39 LYS HD3 . 15352 1 329 . 1 1 39 39 LYS HE2 H 1 2.974 0.000 . 2 . . . . 39 LYS HE2 . 15352 1 330 . 1 1 39 39 LYS HE3 H 1 2.981 0.000 . 2 . . . . 39 LYS HE3 . 15352 1 331 . 1 1 39 39 LYS HG2 H 1 1.612 0.001 . 2 . . . . 39 LYS HG2 . 15352 1 332 . 1 1 39 39 LYS HG3 H 1 1.455 0.000 . 2 . . . . 39 LYS HG3 . 15352 1 333 . 1 1 39 39 LYS C C 13 178.439 0.000 . 1 . . . . 39 LYS C . 15352 1 334 . 1 1 39 39 LYS CA C 13 57.774 0.000 . 1 . . . . 39 LYS CA . 15352 1 335 . 1 1 39 39 LYS CB C 13 33.434 0.000 . 1 . . . . 39 LYS CB . 15352 1 336 . 1 1 39 39 LYS CD C 13 29.155 0.000 . 1 . . . . 39 LYS CD . 15352 1 337 . 1 1 39 39 LYS CE C 13 42.014 0.000 . 1 . . . . 39 LYS CE . 15352 1 338 . 1 1 39 39 LYS CG C 13 24.910 0.000 . 1 . . . . 39 LYS CG . 15352 1 339 . 1 1 39 39 LYS N N 15 114.285 0.000 . 1 . . . . 39 LYS N . 15352 1 340 . 1 1 40 40 THR H H 1 7.991 0.003 . 1 . . . . 40 THR H . 15352 1 341 . 1 1 40 40 THR HA H 1 4.389 0.005 . 1 . . . . 40 THR HA . 15352 1 342 . 1 1 40 40 THR HB H 1 4.380 0.000 . 1 . . . . 40 THR HB . 15352 1 343 . 1 1 40 40 THR HG21 H 1 1.183 0.005 . 1 . . . . 40 THR QG2 . 15352 1 344 . 1 1 40 40 THR HG22 H 1 1.183 0.005 . 1 . . . . 40 THR QG2 . 15352 1 345 . 1 1 40 40 THR HG23 H 1 1.183 0.005 . 1 . . . . 40 THR QG2 . 15352 1 346 . 1 1 40 40 THR C C 13 175.978 0.000 . 1 . . . . 40 THR C . 15352 1 347 . 1 1 40 40 THR CA C 13 63.197 0.000 . 1 . . . . 40 THR CA . 15352 1 348 . 1 1 40 40 THR CB C 13 69.543 0.000 . 1 . . . . 40 THR CB . 15352 1 349 . 1 1 40 40 THR CG2 C 13 22.004 0.002 . 1 . . . . 40 THR CG2 . 15352 1 350 . 1 1 40 40 THR N N 15 107.674 0.000 . 1 . . . . 40 THR N . 15352 1 351 . 1 1 41 41 ALA H H 1 8.080 0.000 . 1 . . . . 41 ALA H . 15352 1 352 . 1 1 41 41 ALA HA H 1 4.071 0.000 . 1 . . . . 41 ALA HA . 15352 1 353 . 1 1 41 41 ALA HB1 H 1 1.504 0.002 . 1 . . . . 41 ALA QB . 15352 1 354 . 1 1 41 41 ALA HB2 H 1 1.504 0.002 . 1 . . . . 41 ALA QB . 15352 1 355 . 1 1 41 41 ALA HB3 H 1 1.504 0.002 . 1 . . . . 41 ALA QB . 15352 1 356 . 1 1 41 41 ALA C C 13 174.763 0.000 . 1 . . . . 41 ALA C . 15352 1 357 . 1 1 41 41 ALA CA C 13 54.650 0.000 . 1 . . . . 41 ALA CA . 15352 1 358 . 1 1 41 41 ALA CB C 13 19.882 0.000 . 1 . . . . 41 ALA CB . 15352 1 359 . 1 1 41 41 ALA N N 15 120.990 0.000 . 1 . . . . 41 ALA N . 15352 1 360 . 1 1 42 42 ILE H H 1 7.369 0.000 . 1 . . . . 42 ILE H . 15352 1 361 . 1 1 42 42 ILE HA H 1 4.774 0.000 . 1 . . . . 42 ILE HA . 15352 1 362 . 1 1 42 42 ILE HB H 1 2.093 0.000 . 1 . . . . 42 ILE HB . 15352 1 363 . 1 1 42 42 ILE HD11 H 1 0.883 0.000 . 1 . . . . 42 ILE QD1 . 15352 1 364 . 1 1 42 42 ILE HD12 H 1 0.883 0.000 . 1 . . . . 42 ILE QD1 . 15352 1 365 . 1 1 42 42 ILE HD13 H 1 0.883 0.000 . 1 . . . . 42 ILE QD1 . 15352 1 366 . 1 1 42 42 ILE HG12 H 1 1.431 0.000 . 2 . . . . 42 ILE HG12 . 15352 1 367 . 1 1 42 42 ILE HG13 H 1 1.648 0.000 . 2 . . . . 42 ILE HG13 . 15352 1 368 . 1 1 42 42 ILE HG21 H 1 0.825 0.000 . 1 . . . . 42 ILE QG2 . 15352 1 369 . 1 1 42 42 ILE HG22 H 1 0.825 0.000 . 1 . . . . 42 ILE QG2 . 15352 1 370 . 1 1 42 42 ILE HG23 H 1 0.825 0.000 . 1 . . . . 42 ILE QG2 . 15352 1 371 . 1 1 42 42 ILE C C 13 175.702 0.000 . 1 . . . . 42 ILE C . 15352 1 372 . 1 1 42 42 ILE CA C 13 58.177 0.000 . 1 . . . . 42 ILE CA . 15352 1 373 . 1 1 42 42 ILE CB C 13 36.780 0.000 . 1 . . . . 42 ILE CB . 15352 1 374 . 1 1 42 42 ILE CD1 C 13 10.353 0.000 . 1 . . . . 42 ILE CD1 . 15352 1 375 . 1 1 42 42 ILE CG1 C 13 27.650 0.000 . 1 . . . . 42 ILE CG1 . 15352 1 376 . 1 1 42 42 ILE CG2 C 13 18.662 0.000 . 1 . . . . 42 ILE CG2 . 15352 1 377 . 1 1 42 42 ILE N N 15 114.029 0.000 . 1 . . . . 42 ILE N . 15352 1 378 . 1 1 43 43 GLU H H 1 9.196 0.002 . 1 . . . . 43 GLU H . 15352 1 379 . 1 1 43 43 GLU HA H 1 4.904 0.000 . 1 . . . . 43 GLU HA . 15352 1 380 . 1 1 43 43 GLU HB2 H 1 1.973 0.001 . 2 . . . . 43 GLU HB2 . 15352 1 381 . 1 1 43 43 GLU HB3 H 1 1.975 0.000 . 2 . . . . 43 GLU HB3 . 15352 1 382 . 1 1 43 43 GLU HG2 H 1 2.179 0.006 . 2 . . . . 43 GLU HG2 . 15352 1 383 . 1 1 43 43 GLU HG3 H 1 2.297 0.002 . 2 . . . . 43 GLU HG3 . 15352 1 384 . 1 1 43 43 GLU C C 13 174.099 0.000 . 1 . . . . 43 GLU C . 15352 1 385 . 1 1 43 43 GLU CA C 13 53.505 0.000 . 1 . . . . 43 GLU CA . 15352 1 386 . 1 1 43 43 GLU CB C 13 33.752 0.000 . 1 . . . . 43 GLU CB . 15352 1 387 . 1 1 43 43 GLU CG C 13 35.225 0.119 . 1 . . . . 43 GLU CG . 15352 1 388 . 1 1 43 43 GLU N N 15 126.880 0.000 . 1 . . . . 43 GLU N . 15352 1 389 . 1 1 44 44 ILE H H 1 8.530 0.000 . 1 . . . . 44 ILE H . 15352 1 390 . 1 1 44 44 ILE HA H 1 4.860 0.000 . 1 . . . . 44 ILE HA . 15352 1 391 . 1 1 44 44 ILE HB H 1 1.711 0.003 . 1 . . . . 44 ILE HB . 15352 1 392 . 1 1 44 44 ILE HD11 H 1 0.859 0.007 . 1 . . . . 44 ILE QD1 . 15352 1 393 . 1 1 44 44 ILE HD12 H 1 0.859 0.007 . 1 . . . . 44 ILE QD1 . 15352 1 394 . 1 1 44 44 ILE HD13 H 1 0.859 0.007 . 1 . . . . 44 ILE QD1 . 15352 1 395 . 1 1 44 44 ILE HG12 H 1 1.190 0.000 . 2 . . . . 44 ILE HG12 . 15352 1 396 . 1 1 44 44 ILE HG13 H 1 1.632 0.000 . 2 . . . . 44 ILE HG13 . 15352 1 397 . 1 1 44 44 ILE HG21 H 1 0.708 0.006 . 1 . . . . 44 ILE QG2 . 15352 1 398 . 1 1 44 44 ILE HG22 H 1 0.708 0.006 . 1 . . . . 44 ILE QG2 . 15352 1 399 . 1 1 44 44 ILE HG23 H 1 0.708 0.006 . 1 . . . . 44 ILE QG2 . 15352 1 400 . 1 1 44 44 ILE C C 13 176.528 0.000 . 1 . . . . 44 ILE C . 15352 1 401 . 1 1 44 44 ILE CA C 13 60.623 0.000 . 1 . . . . 44 ILE CA . 15352 1 402 . 1 1 44 44 ILE CB C 13 38.154 0.000 . 1 . . . . 44 ILE CB . 15352 1 403 . 1 1 44 44 ILE CD1 C 13 13.410 0.000 . 1 . . . . 44 ILE CD1 . 15352 1 404 . 1 1 44 44 ILE CG1 C 13 27.650 0.000 . 1 . . . . 44 ILE CG1 . 15352 1 405 . 1 1 44 44 ILE CG2 C 13 17.360 0.000 . 1 . . . . 44 ILE CG2 . 15352 1 406 . 1 1 44 44 ILE N N 15 122.629 0.000 . 1 . . . . 44 ILE N . 15352 1 407 . 1 1 45 45 VAL H H 1 9.083 0.000 . 1 . . . . 45 VAL H . 15352 1 408 . 1 1 45 45 VAL HA H 1 4.411 0.000 . 1 . . . . 45 VAL HA . 15352 1 409 . 1 1 45 45 VAL HB H 1 1.703 0.000 . 1 . . . . 45 VAL HB . 15352 1 410 . 1 1 45 45 VAL HG11 H 1 0.850 0.005 . 2 . . . . 45 VAL QG1 . 15352 1 411 . 1 1 45 45 VAL HG12 H 1 0.850 0.005 . 2 . . . . 45 VAL QG1 . 15352 1 412 . 1 1 45 45 VAL HG13 H 1 0.850 0.005 . 2 . . . . 45 VAL QG1 . 15352 1 413 . 1 1 45 45 VAL HG21 H 1 0.780 0.007 . 2 . . . . 45 VAL QG2 . 15352 1 414 . 1 1 45 45 VAL HG22 H 1 0.780 0.007 . 2 . . . . 45 VAL QG2 . 15352 1 415 . 1 1 45 45 VAL HG23 H 1 0.780 0.007 . 2 . . . . 45 VAL QG2 . 15352 1 416 . 1 1 45 45 VAL C C 13 175.006 0.000 . 1 . . . . 45 VAL C . 15352 1 417 . 1 1 45 45 VAL CA C 13 60.314 0.000 . 1 . . . . 45 VAL CA . 15352 1 418 . 1 1 45 45 VAL CB C 13 34.339 0.000 . 1 . . . . 45 VAL CB . 15352 1 419 . 1 1 45 45 VAL CG1 C 13 21.061 0.000 . 1 . . . . 45 VAL CG1 . 15352 1 420 . 1 1 45 45 VAL CG2 C 13 20.115 0.000 . 1 . . . . 45 VAL CG2 . 15352 1 421 . 1 1 45 45 VAL N N 15 127.279 0.000 . 1 . . . . 45 VAL N . 15352 1 422 . 1 1 46 46 SER H H 1 8.563 0.000 . 1 . . . . 46 SER H . 15352 1 423 . 1 1 46 46 SER HA H 1 4.853 0.004 . 1 . . . . 46 SER HA . 15352 1 424 . 1 1 46 46 SER HB2 H 1 3.682 0.000 . 2 . . . . 46 SER HB2 . 15352 1 425 . 1 1 46 46 SER HB3 H 1 3.739 0.003 . 2 . . . . 46 SER HB3 . 15352 1 426 . 1 1 46 46 SER C C 13 174.277 0.000 . 1 . . . . 46 SER C . 15352 1 427 . 1 1 46 46 SER CA C 13 57.638 0.000 . 1 . . . . 46 SER CA . 15352 1 428 . 1 1 46 46 SER CB C 13 64.360 0.000 . 1 . . . . 46 SER CB . 15352 1 429 . 1 1 46 46 SER N N 15 119.424 0.000 . 1 . . . . 46 SER N . 15352 1 430 . 1 1 47 47 GLU H H 1 8.372 0.000 . 1 . . . . 47 GLU H . 15352 1 431 . 1 1 47 47 GLU HA H 1 4.550 0.006 . 1 . . . . 47 GLU HA . 15352 1 432 . 1 1 47 47 GLU HB2 H 1 2.184 0.000 . 2 . . . . 47 GLU HB2 . 15352 1 433 . 1 1 47 47 GLU HB3 H 1 1.840 0.000 . 2 . . . . 47 GLU HB3 . 15352 1 434 . 1 1 47 47 GLU HG2 H 1 2.201 0.000 . 2 . . . . 47 GLU HG2 . 15352 1 435 . 1 1 47 47 GLU HG3 H 1 2.204 0.000 . 2 . . . . 47 GLU HG3 . 15352 1 436 . 1 1 47 47 GLU C C 13 177.694 0.000 . 1 . . . . 47 GLU C . 15352 1 437 . 1 1 47 47 GLU CA C 13 55.033 0.000 . 1 . . . . 47 GLU CA . 15352 1 438 . 1 1 47 47 GLU CB C 13 31.630 0.000 . 1 . . . . 47 GLU CB . 15352 1 439 . 1 1 47 47 GLU CG C 13 36.010 0.000 . 1 . . . . 47 GLU CG . 15352 1 440 . 1 1 47 47 GLU N N 15 123.174 0.000 . 1 . . . . 47 GLU N . 15352 1 441 . 1 1 48 48 GLU H H 1 8.953 0.000 . 1 . . . . 48 GLU H . 15352 1 442 . 1 1 48 48 GLU HA H 1 4.037 0.000 . 1 . . . . 48 GLU HA . 15352 1 443 . 1 1 48 48 GLU HB2 H 1 2.037 0.003 . 2 . . . . 48 GLU HB2 . 15352 1 444 . 1 1 48 48 GLU HB3 H 1 2.040 0.000 . 2 . . . . 48 GLU HB3 . 15352 1 445 . 1 1 48 48 GLU HG2 H 1 2.314 0.000 . 2 . . . . 48 GLU HG2 . 15352 1 446 . 1 1 48 48 GLU HG3 H 1 2.307 0.007 . 2 . . . . 48 GLU HG3 . 15352 1 447 . 1 1 48 48 GLU C C 13 176.917 0.000 . 1 . . . . 48 GLU C . 15352 1 448 . 1 1 48 48 GLU CA C 13 58.813 0.000 . 1 . . . . 48 GLU CA . 15352 1 449 . 1 1 48 48 GLU CB C 13 29.640 0.000 . 1 . . . . 48 GLU CB . 15352 1 450 . 1 1 48 48 GLU CG C 13 36.010 0.000 . 1 . . . . 48 GLU CG . 15352 1 451 . 1 1 48 48 GLU N N 15 122.612 0.000 . 1 . . . . 48 GLU N . 15352 1 452 . 1 1 49 49 ASP H H 1 8.250 0.000 . 1 . . . . 49 ASP H . 15352 1 453 . 1 1 49 49 ASP HA H 1 4.566 0.000 . 1 . . . . 49 ASP HA . 15352 1 454 . 1 1 49 49 ASP HB2 H 1 2.732 0.000 . 2 . . . . 49 ASP HB2 . 15352 1 455 . 1 1 49 49 ASP HB3 H 1 2.858 0.000 . 2 . . . . 49 ASP HB3 . 15352 1 456 . 1 1 49 49 ASP C C 13 176.690 0.000 . 1 . . . . 49 ASP C . 15352 1 457 . 1 1 49 49 ASP CA C 13 53.993 0.000 . 1 . . . . 49 ASP CA . 15352 1 458 . 1 1 49 49 ASP CB C 13 40.211 0.000 . 1 . . . . 49 ASP CB . 15352 1 459 . 1 1 49 49 ASP N N 15 117.210 0.000 . 1 . . . . 49 ASP N . 15352 1 460 . 1 1 50 50 GLY H H 1 8.041 0.000 . 1 . . . . 50 GLY H . 15352 1 461 . 1 1 50 50 GLY HA2 H 1 3.807 0.000 . 2 . . . . 50 GLY HA2 . 15352 1 462 . 1 1 50 50 GLY HA3 H 1 4.233 0.000 . 2 . . . . 50 GLY HA3 . 15352 1 463 . 1 1 50 50 GLY C C 13 174.957 0.000 . 1 . . . . 50 GLY C . 15352 1 464 . 1 1 50 50 GLY CA C 13 45.066 0.000 . 1 . . . . 50 GLY CA . 15352 1 465 . 1 1 50 50 GLY N N 15 108.187 0.000 . 1 . . . . 50 GLY N . 15352 1 466 . 1 1 51 51 GLY H H 1 8.233 0.001 . 1 . . . . 51 GLY H . 15352 1 467 . 1 1 51 51 GLY HA2 H 1 3.853 0.001 . 2 . . . . 51 GLY HA2 . 15352 1 468 . 1 1 51 51 GLY HA3 H 1 4.030 0.003 . 2 . . . . 51 GLY HA3 . 15352 1 469 . 1 1 51 51 GLY C C 13 172.512 0.000 . 1 . . . . 51 GLY C . 15352 1 470 . 1 1 51 51 GLY CA C 13 44.956 0.000 . 1 . . . . 51 GLY CA . 15352 1 471 . 1 1 51 51 GLY N N 15 109.824 0.000 . 1 . . . . 51 GLY N . 15352 1 472 . 1 1 52 52 ALA H H 1 7.990 0.009 . 1 . . . . 52 ALA H . 15352 1 473 . 1 1 52 52 ALA HA H 1 5.116 0.007 . 1 . . . . 52 ALA HA . 15352 1 474 . 1 1 52 52 ALA HB1 H 1 0.991 0.000 . 1 . . . . 52 ALA QB . 15352 1 475 . 1 1 52 52 ALA HB2 H 1 0.991 0.000 . 1 . . . . 52 ALA QB . 15352 1 476 . 1 1 52 52 ALA HB3 H 1 0.991 0.000 . 1 . . . . 52 ALA QB . 15352 1 477 . 1 1 52 52 ALA C C 13 176.966 0.000 . 1 . . . . 52 ALA C . 15352 1 478 . 1 1 52 52 ALA CA C 13 51.477 0.000 . 1 . . . . 52 ALA CA . 15352 1 479 . 1 1 52 52 ALA CB C 13 20.459 0.000 . 1 . . . . 52 ALA CB . 15352 1 480 . 1 1 52 52 ALA N N 15 122.822 0.000 . 1 . . . . 52 ALA N . 15352 1 481 . 1 1 53 53 HIS H H 1 8.921 0.000 . 1 . . . . 53 HIS H . 15352 1 482 . 1 1 53 53 HIS HA H 1 5.050 0.000 . 1 . . . . 53 HIS HA . 15352 1 483 . 1 1 53 53 HIS HB2 H 1 3.024 0.008 . 2 . . . . 53 HIS HB2 . 15352 1 484 . 1 1 53 53 HIS HB3 H 1 2.951 0.001 . 2 . . . . 53 HIS HB3 . 15352 1 485 . 1 1 53 53 HIS HD2 H 1 6.814 0.005 . 1 . . . . 53 HIS HD2 . 15352 1 486 . 1 1 53 53 HIS HE1 H 1 8.080 0.000 . 1 . . . . 53 HIS HE1 . 15352 1 487 . 1 1 53 53 HIS C C 13 173.856 0.000 . 1 . . . . 53 HIS C . 15352 1 488 . 1 1 53 53 HIS CA C 13 55.419 0.000 . 1 . . . . 53 HIS CA . 15352 1 489 . 1 1 53 53 HIS CB C 13 33.446 0.000 . 1 . . . . 53 HIS CB . 15352 1 490 . 1 1 53 53 HIS CD2 C 13 119.840 0.000 . 1 . . . . 53 HIS CD2 . 15352 1 491 . 1 1 53 53 HIS CE1 C 13 136.050 0.000 . 1 . . . . 53 HIS CE1 . 15352 1 492 . 1 1 53 53 HIS N N 15 118.079 0.000 . 1 . . . . 53 HIS N . 15352 1 493 . 1 1 54 54 ASN H H 1 9.043 0.001 . 1 . . . . 54 ASN H . 15352 1 494 . 1 1 54 54 ASN HA H 1 5.326 0.004 . 1 . . . . 54 ASN HA . 15352 1 495 . 1 1 54 54 ASN HB2 H 1 2.296 0.000 . 2 . . . . 54 ASN HB2 . 15352 1 496 . 1 1 54 54 ASN HB3 H 1 2.522 0.004 . 2 . . . . 54 ASN HB3 . 15352 1 497 . 1 1 54 54 ASN HD21 H 1 7.270 0.000 . 2 . . . . 54 ASN HD21 . 15352 1 498 . 1 1 54 54 ASN HD22 H 1 7.200 0.000 . 2 . . . . 54 ASN HD22 . 15352 1 499 . 1 1 54 54 ASN C C 13 173.905 0.000 . 1 . . . . 54 ASN C . 15352 1 500 . 1 1 54 54 ASN CA C 13 52.848 0.000 . 1 . . . . 54 ASN CA . 15352 1 501 . 1 1 54 54 ASN CB C 13 40.351 0.000 . 1 . . . . 54 ASN CB . 15352 1 502 . 1 1 54 54 ASN N N 15 119.909 0.000 . 1 . . . . 54 ASN N . 15352 1 503 . 1 1 55 55 GLN H H 1 9.559 0.004 . 1 . . . . 55 GLN H . 15352 1 504 . 1 1 55 55 GLN HA H 1 5.129 0.004 . 1 . . . . 55 GLN HA . 15352 1 505 . 1 1 55 55 GLN HB2 H 1 1.961 0.005 . 2 . . . . 55 GLN HB2 . 15352 1 506 . 1 1 55 55 GLN HB3 H 1 1.714 0.000 . 2 . . . . 55 GLN HB3 . 15352 1 507 . 1 1 55 55 GLN HE21 H 1 7.810 0.006 . 2 . . . . 55 GLN HE21 . 15352 1 508 . 1 1 55 55 GLN HE22 H 1 6.770 0.003 . 2 . . . . 55 GLN HE22 . 15352 1 509 . 1 1 55 55 GLN HG2 H 1 2.094 0.001 . 2 . . . . 55 GLN HG2 . 15352 1 510 . 1 1 55 55 GLN HG3 H 1 1.983 0.003 . 2 . . . . 55 GLN HG3 . 15352 1 511 . 1 1 55 55 GLN C C 13 173.807 0.000 . 1 . . . . 55 GLN C . 15352 1 512 . 1 1 55 55 GLN CA C 13 53.984 0.000 . 1 . . . . 55 GLN CA . 15352 1 513 . 1 1 55 55 GLN CB C 13 34.405 0.000 . 1 . . . . 55 GLN CB . 15352 1 514 . 1 1 55 55 GLN CG C 13 33.720 0.000 . 1 . . . . 55 GLN CG . 15352 1 515 . 1 1 55 55 GLN N N 15 123.567 0.000 . 1 . . . . 55 GLN N . 15352 1 516 . 1 1 55 55 GLN NE2 N 15 112.335 0.000 . 1 . . . . 55 GLN NE2 . 15352 1 517 . 1 1 56 56 CYS H H 1 9.190 0.001 . 1 . . . . 56 CYS H . 15352 1 518 . 1 1 56 56 CYS HA H 1 4.744 0.000 . 1 . . . . 56 CYS HA . 15352 1 519 . 1 1 56 56 CYS HB2 H 1 2.489 0.003 . 2 . . . . 56 CYS HB2 . 15352 1 520 . 1 1 56 56 CYS HB3 H 1 3.424 0.005 . 2 . . . . 56 CYS HB3 . 15352 1 521 . 1 1 56 56 CYS C C 13 179.395 0.000 . 1 . . . . 56 CYS C . 15352 1 522 . 1 1 56 56 CYS CA C 13 59.531 0.000 . 1 . . . . 56 CYS CA . 15352 1 523 . 1 1 56 56 CYS CB C 13 31.207 0.000 . 1 . . . . 56 CYS CB . 15352 1 524 . 1 1 56 56 CYS N N 15 127.640 0.000 . 1 . . . . 56 CYS N . 15352 1 525 . 1 1 57 57 LYS H H 1 9.949 0.004 . 1 . . . . 57 LYS H . 15352 1 526 . 1 1 57 57 LYS HA H 1 4.227 0.000 . 1 . . . . 57 LYS HA . 15352 1 527 . 1 1 57 57 LYS HB2 H 1 2.022 0.000 . 2 . . . . 57 LYS HB2 . 15352 1 528 . 1 1 57 57 LYS HB3 H 1 1.724 0.000 . 2 . . . . 57 LYS HB3 . 15352 1 529 . 1 1 57 57 LYS HD2 H 1 1.682 0.000 . 2 . . . . 57 LYS HD2 . 15352 1 530 . 1 1 57 57 LYS HD3 H 1 1.682 0.000 . 2 . . . . 57 LYS HD3 . 15352 1 531 . 1 1 57 57 LYS HE2 H 1 2.971 0.003 . 2 . . . . 57 LYS HE2 . 15352 1 532 . 1 1 57 57 LYS HE3 H 1 2.974 0.000 . 2 . . . . 57 LYS HE3 . 15352 1 533 . 1 1 57 57 LYS HG2 H 1 1.603 0.002 . 2 . . . . 57 LYS HG2 . 15352 1 534 . 1 1 57 57 LYS HG3 H 1 1.473 0.000 . 2 . . . . 57 LYS HG3 . 15352 1 535 . 1 1 57 57 LYS C C 13 176.723 0.000 . 1 . . . . 57 LYS C . 15352 1 536 . 1 1 57 57 LYS CA C 13 58.487 0.000 . 1 . . . . 57 LYS CA . 15352 1 537 . 1 1 57 57 LYS CB C 13 34.535 0.000 . 1 . . . . 57 LYS CB . 15352 1 538 . 1 1 57 57 LYS CD C 13 28.780 0.000 . 1 . . . . 57 LYS CD . 15352 1 539 . 1 1 57 57 LYS CE C 13 41.780 0.000 . 1 . . . . 57 LYS CE . 15352 1 540 . 1 1 57 57 LYS CG C 13 25.263 0.075 . 1 . . . . 57 LYS CG . 15352 1 541 . 1 1 57 57 LYS N N 15 131.853 0.000 . 1 . . . . 57 LYS N . 15352 1 542 . 1 1 58 58 LEU H H 1 9.250 0.000 . 1 . . . . 58 LEU H . 15352 1 543 . 1 1 58 58 LEU HA H 1 4.499 0.000 . 1 . . . . 58 LEU HA . 15352 1 544 . 1 1 58 58 LEU HB2 H 1 2.308 0.000 . 2 . . . . 58 LEU HB2 . 15352 1 545 . 1 1 58 58 LEU HB3 H 1 1.612 0.000 . 2 . . . . 58 LEU HB3 . 15352 1 546 . 1 1 58 58 LEU HD11 H 1 0.946 0.002 . 2 . . . . 58 LEU QD1 . 15352 1 547 . 1 1 58 58 LEU HD12 H 1 0.946 0.002 . 2 . . . . 58 LEU QD1 . 15352 1 548 . 1 1 58 58 LEU HD13 H 1 0.946 0.002 . 2 . . . . 58 LEU QD1 . 15352 1 549 . 1 1 58 58 LEU HD21 H 1 0.979 0.002 . 2 . . . . 58 LEU QD2 . 15352 1 550 . 1 1 58 58 LEU HD22 H 1 0.979 0.002 . 2 . . . . 58 LEU QD2 . 15352 1 551 . 1 1 58 58 LEU HD23 H 1 0.979 0.002 . 2 . . . . 58 LEU QD2 . 15352 1 552 . 1 1 58 58 LEU HG H 1 1.510 0.000 . 1 . . . . 58 LEU HG . 15352 1 553 . 1 1 58 58 LEU C C 13 178.067 0.000 . 1 . . . . 58 LEU C . 15352 1 554 . 1 1 58 58 LEU CA C 13 55.873 0.000 . 1 . . . . 58 LEU CA . 15352 1 555 . 1 1 58 58 LEU CB C 13 42.628 0.000 . 1 . . . . 58 LEU CB . 15352 1 556 . 1 1 58 58 LEU CD1 C 13 22.893 0.000 . 1 . . . . 58 LEU CD1 . 15352 1 557 . 1 1 58 58 LEU CD2 C 13 27.033 0.000 . 1 . . . . 58 LEU CD2 . 15352 1 558 . 1 1 58 58 LEU CG C 13 26.770 0.000 . 1 . . . . 58 LEU CG . 15352 1 559 . 1 1 58 58 LEU N N 15 119.485 0.000 . 1 . . . . 58 LEU N . 15352 1 560 . 1 1 59 59 CYS H H 1 8.832 0.002 . 1 . . . . 59 CYS H . 15352 1 561 . 1 1 59 59 CYS HA H 1 5.181 0.003 . 1 . . . . 59 CYS HA . 15352 1 562 . 1 1 59 59 CYS HB2 H 1 2.883 0.002 . 2 . . . . 59 CYS HB2 . 15352 1 563 . 1 1 59 59 CYS HB3 H 1 3.434 0.002 . 2 . . . . 59 CYS HB3 . 15352 1 564 . 1 1 59 59 CYS C C 13 177.128 0.000 . 1 . . . . 59 CYS C . 15352 1 565 . 1 1 59 59 CYS CA C 13 58.552 0.000 . 1 . . . . 59 CYS CA . 15352 1 566 . 1 1 59 59 CYS CB C 13 32.642 0.000 . 1 . . . . 59 CYS CB . 15352 1 567 . 1 1 59 59 CYS N N 15 118.458 0.000 . 1 . . . . 59 CYS N . 15352 1 568 . 1 1 60 60 GLY H H 1 7.867 0.001 . 1 . . . . 60 GLY H . 15352 1 569 . 1 1 60 60 GLY HA2 H 1 3.810 0.003 . 2 . . . . 60 GLY HA2 . 15352 1 570 . 1 1 60 60 GLY HA3 H 1 4.248 0.000 . 2 . . . . 60 GLY HA3 . 15352 1 571 . 1 1 60 60 GLY C C 13 173.111 0.000 . 1 . . . . 60 GLY C . 15352 1 572 . 1 1 60 60 GLY CA C 13 46.079 0.000 . 1 . . . . 60 GLY CA . 15352 1 573 . 1 1 60 60 GLY N N 15 112.809 0.000 . 1 . . . . 60 GLY N . 15352 1 574 . 1 1 61 61 ALA H H 1 8.236 0.001 . 1 . . . . 61 ALA H . 15352 1 575 . 1 1 61 61 ALA HA H 1 4.344 0.000 . 1 . . . . 61 ALA HA . 15352 1 576 . 1 1 61 61 ALA HB1 H 1 1.194 0.005 . 1 . . . . 61 ALA QB . 15352 1 577 . 1 1 61 61 ALA HB2 H 1 1.194 0.005 . 1 . . . . 61 ALA QB . 15352 1 578 . 1 1 61 61 ALA HB3 H 1 1.194 0.005 . 1 . . . . 61 ALA QB . 15352 1 579 . 1 1 61 61 ALA C C 13 176.204 0.000 . 1 . . . . 61 ALA C . 15352 1 580 . 1 1 61 61 ALA CA C 13 53.537 0.000 . 1 . . . . 61 ALA CA . 15352 1 581 . 1 1 61 61 ALA CB C 13 22.008 0.000 . 1 . . . . 61 ALA CB . 15352 1 582 . 1 1 61 61 ALA N N 15 126.020 0.000 . 1 . . . . 61 ALA N . 15352 1 583 . 1 1 62 62 SER H H 1 8.505 0.000 . 1 . . . . 62 SER H . 15352 1 584 . 1 1 62 62 SER HA H 1 5.665 0.007 . 1 . . . . 62 SER HA . 15352 1 585 . 1 1 62 62 SER HB2 H 1 3.857 0.007 . 2 . . . . 62 SER HB2 . 15352 1 586 . 1 1 62 62 SER HB3 H 1 3.662 0.007 . 2 . . . . 62 SER HB3 . 15352 1 587 . 1 1 62 62 SER C C 13 174.390 0.000 . 1 . . . . 62 SER C . 15352 1 588 . 1 1 62 62 SER CA C 13 57.178 0.000 . 1 . . . . 62 SER CA . 15352 1 589 . 1 1 62 62 SER CB C 13 68.099 0.000 . 1 . . . . 62 SER CB . 15352 1 590 . 1 1 62 62 SER N N 15 112.817 0.000 . 1 . . . . 62 SER N . 15352 1 591 . 1 1 63 63 VAL H H 1 8.626 0.004 . 1 . . . . 63 VAL H . 15352 1 592 . 1 1 63 63 VAL HA H 1 4.809 0.000 . 1 . . . . 63 VAL HA . 15352 1 593 . 1 1 63 63 VAL HB H 1 2.112 0.000 . 1 . . . . 63 VAL HB . 15352 1 594 . 1 1 63 63 VAL HG11 H 1 0.805 0.002 . 2 . . . . 63 VAL QG1 . 15352 1 595 . 1 1 63 63 VAL HG12 H 1 0.805 0.002 . 2 . . . . 63 VAL QG1 . 15352 1 596 . 1 1 63 63 VAL HG13 H 1 0.805 0.002 . 2 . . . . 63 VAL QG1 . 15352 1 597 . 1 1 63 63 VAL HG21 H 1 0.826 0.000 . 2 . . . . 63 VAL QG2 . 15352 1 598 . 1 1 63 63 VAL HG22 H 1 0.826 0.000 . 2 . . . . 63 VAL QG2 . 15352 1 599 . 1 1 63 63 VAL HG23 H 1 0.826 0.000 . 2 . . . . 63 VAL QG2 . 15352 1 600 . 1 1 63 63 VAL CA C 13 59.009 0.000 . 1 . . . . 63 VAL CA . 15352 1 601 . 1 1 63 63 VAL CB C 13 34.339 0.000 . 1 . . . . 63 VAL CB . 15352 1 602 . 1 1 63 63 VAL CG1 C 13 18.888 0.000 . 1 . . . . 63 VAL CG1 . 15352 1 603 . 1 1 63 63 VAL CG2 C 13 18.669 0.004 . 1 . . . . 63 VAL CG2 . 15352 1 604 . 1 1 63 63 VAL N N 15 115.390 0.000 . 1 . . . . 63 VAL N . 15352 1 605 . 1 1 64 64 PRO HA H 1 4.528 0.000 . 1 . . . . 64 PRO HA . 15352 1 606 . 1 1 64 64 PRO HB2 H 1 1.859 0.000 . 2 . . . . 64 PRO HB2 . 15352 1 607 . 1 1 64 64 PRO HB3 H 1 2.431 0.000 . 2 . . . . 64 PRO HB3 . 15352 1 608 . 1 1 64 64 PRO HD2 H 1 3.628 0.000 . 2 . . . . 64 PRO HD2 . 15352 1 609 . 1 1 64 64 PRO HD3 H 1 3.827 0.000 . 2 . . . . 64 PRO HD3 . 15352 1 610 . 1 1 64 64 PRO HG2 H 1 1.930 0.000 . 2 . . . . 64 PRO HG2 . 15352 1 611 . 1 1 64 64 PRO HG3 H 1 1.920 0.000 . 2 . . . . 64 PRO HG3 . 15352 1 612 . 1 1 64 64 PRO C C 13 176.885 0.000 . 1 . . . . 64 PRO C . 15352 1 613 . 1 1 64 64 PRO CA C 13 63.376 0.000 . 1 . . . . 64 PRO CA . 15352 1 614 . 1 1 64 64 PRO CB C 13 32.305 0.000 . 1 . . . . 64 PRO CB . 15352 1 615 . 1 1 64 64 PRO CD C 13 50.280 0.000 . 1 . . . . 64 PRO CD . 15352 1 616 . 1 1 64 64 PRO CG C 13 27.140 0.000 . 1 . . . . 64 PRO CG . 15352 1 617 . 1 1 65 65 TRP H H 1 8.127 0.001 . 1 . . . . 65 TRP H . 15352 1 618 . 1 1 65 65 TRP HA H 1 4.429 0.001 . 1 . . . . 65 TRP HA . 15352 1 619 . 1 1 65 65 TRP HB2 H 1 3.257 0.001 . 2 . . . . 65 TRP HB2 . 15352 1 620 . 1 1 65 65 TRP HB3 H 1 2.919 0.004 . 2 . . . . 65 TRP HB3 . 15352 1 621 . 1 1 65 65 TRP HD1 H 1 7.313 0.003 . 1 . . . . 65 TRP HD1 . 15352 1 622 . 1 1 65 65 TRP HE1 H 1 10.224 0.003 . 1 . . . . 65 TRP HE1 . 15352 1 623 . 1 1 65 65 TRP HE3 H 1 7.473 0.003 . 1 . . . . 65 TRP HE3 . 15352 1 624 . 1 1 65 65 TRP HH2 H 1 7.201 0.005 . 1 . . . . 65 TRP HH2 . 15352 1 625 . 1 1 65 65 TRP HZ2 H 1 7.466 0.000 . 1 . . . . 65 TRP HZ2 . 15352 1 626 . 1 1 65 65 TRP HZ3 H 1 7.115 0.000 . 1 . . . . 65 TRP HZ3 . 15352 1 627 . 1 1 65 65 TRP C C 13 175.346 0.000 . 1 . . . . 65 TRP C . 15352 1 628 . 1 1 65 65 TRP CA C 13 59.084 0.097 . 1 . . . . 65 TRP CA . 15352 1 629 . 1 1 65 65 TRP CB C 13 28.683 0.000 . 1 . . . . 65 TRP CB . 15352 1 630 . 1 1 65 65 TRP CD1 C 13 127.010 0.000 . 1 . . . . 65 TRP CD1 . 15352 1 631 . 1 1 65 65 TRP CE3 C 13 120.490 0.000 . 1 . . . . 65 TRP CE3 . 15352 1 632 . 1 1 65 65 TRP CH2 C 13 124.529 0.000 . 1 . . . . 65 TRP CH2 . 15352 1 633 . 1 1 65 65 TRP CZ2 C 13 114.433 0.000 . 1 . . . . 65 TRP CZ2 . 15352 1 634 . 1 1 65 65 TRP CZ3 C 13 121.906 0.000 . 1 . . . . 65 TRP CZ3 . 15352 1 635 . 1 1 65 65 TRP N N 15 120.817 0.000 . 1 . . . . 65 TRP N . 15352 1 636 . 1 1 65 65 TRP NE1 N 15 129.933 0.000 . 1 . . . . 65 TRP NE1 . 15352 1 637 . 1 1 66 66 LEU H H 1 7.201 0.000 . 1 . . . . 66 LEU H . 15352 1 638 . 1 1 66 66 LEU HA H 1 3.766 0.000 . 1 . . . . 66 LEU HA . 15352 1 639 . 1 1 66 66 LEU HB2 H 1 1.294 0.001 . 2 . . . . 66 LEU HB2 . 15352 1 640 . 1 1 66 66 LEU HB3 H 1 1.443 0.000 . 2 . . . . 66 LEU HB3 . 15352 1 641 . 1 1 66 66 LEU HD11 H 1 0.729 0.005 . 2 . . . . 66 LEU QD1 . 15352 1 642 . 1 1 66 66 LEU HD12 H 1 0.729 0.005 . 2 . . . . 66 LEU QD1 . 15352 1 643 . 1 1 66 66 LEU HD13 H 1 0.729 0.005 . 2 . . . . 66 LEU QD1 . 15352 1 644 . 1 1 66 66 LEU HD21 H 1 0.497 0.000 . 2 . . . . 66 LEU QD2 . 15352 1 645 . 1 1 66 66 LEU HD22 H 1 0.497 0.000 . 2 . . . . 66 LEU QD2 . 15352 1 646 . 1 1 66 66 LEU HD23 H 1 0.497 0.000 . 2 . . . . 66 LEU QD2 . 15352 1 647 . 1 1 66 66 LEU HG H 1 1.001 0.000 . 1 . . . . 66 LEU HG . 15352 1 648 . 1 1 66 66 LEU C C 13 177.338 0.000 . 1 . . . . 66 LEU C . 15352 1 649 . 1 1 66 66 LEU CA C 13 55.490 0.000 . 1 . . . . 66 LEU CA . 15352 1 650 . 1 1 66 66 LEU CB C 13 41.882 0.000 . 1 . . . . 66 LEU CB . 15352 1 651 . 1 1 66 66 LEU CD1 C 13 24.730 0.000 . 1 . . . . 66 LEU CD1 . 15352 1 652 . 1 1 66 66 LEU CD2 C 13 23.094 0.000 . 1 . . . . 66 LEU CD2 . 15352 1 653 . 1 1 66 66 LEU CG C 13 26.770 0.000 . 1 . . . . 66 LEU CG . 15352 1 654 . 1 1 66 66 LEU N N 15 118.458 0.000 . 1 . . . . 66 LEU N . 15352 1 655 . 1 1 67 67 GLN H H 1 8.083 0.002 . 1 . . . . 67 GLN H . 15352 1 656 . 1 1 67 67 GLN HA H 1 4.359 0.000 . 1 . . . . 67 GLN HA . 15352 1 657 . 1 1 67 67 GLN HB2 H 1 2.055 0.003 . 2 . . . . 67 GLN HB2 . 15352 1 658 . 1 1 67 67 GLN HB3 H 1 1.963 0.005 . 2 . . . . 67 GLN HB3 . 15352 1 659 . 1 1 67 67 GLN HE21 H 1 7.678 0.000 . 2 . . . . 67 GLN HE21 . 15352 1 660 . 1 1 67 67 GLN HE22 H 1 6.781 0.000 . 2 . . . . 67 GLN HE22 . 15352 1 661 . 1 1 67 67 GLN HG2 H 1 2.377 0.004 . 2 . . . . 67 GLN HG2 . 15352 1 662 . 1 1 67 67 GLN HG3 H 1 2.189 0.000 . 2 . . . . 67 GLN HG3 . 15352 1 663 . 1 1 67 67 GLN C C 13 174.957 0.000 . 1 . . . . 67 GLN C . 15352 1 664 . 1 1 67 67 GLN CA C 13 55.224 0.000 . 1 . . . . 67 GLN CA . 15352 1 665 . 1 1 67 67 GLN CB C 13 30.000 0.000 . 1 . . . . 67 GLN CB . 15352 1 666 . 1 1 67 67 GLN CG C 13 34.764 0.000 . 1 . . . . 67 GLN CG . 15352 1 667 . 1 1 67 67 GLN N N 15 120.226 0.000 . 1 . . . . 67 GLN N . 15352 1 668 . 1 1 67 67 GLN NE2 N 15 110.538 0.000 . 1 . . . . 67 GLN NE2 . 15352 1 669 . 1 1 68 68 THR H H 1 8.061 0.000 . 1 . . . . 68 THR H . 15352 1 670 . 1 1 68 68 THR HA H 1 4.277 0.000 . 1 . . . . 68 THR HA . 15352 1 671 . 1 1 68 68 THR HB H 1 4.359 0.000 . 1 . . . . 68 THR HB . 15352 1 672 . 1 1 68 68 THR HG21 H 1 1.231 0.003 . 1 . . . . 68 THR QG2 . 15352 1 673 . 1 1 68 68 THR HG22 H 1 1.231 0.003 . 1 . . . . 68 THR QG2 . 15352 1 674 . 1 1 68 68 THR HG23 H 1 1.231 0.003 . 1 . . . . 68 THR QG2 . 15352 1 675 . 1 1 68 68 THR C C 13 175.880 0.000 . 1 . . . . 68 THR C . 15352 1 676 . 1 1 68 68 THR CA C 13 61.384 0.000 . 1 . . . . 68 THR CA . 15352 1 677 . 1 1 68 68 THR CB C 13 69.931 0.000 . 1 . . . . 68 THR CB . 15352 1 678 . 1 1 68 68 THR CG2 C 13 21.440 0.000 . 1 . . . . 68 THR CG2 . 15352 1 679 . 1 1 68 68 THR N N 15 111.910 0.000 . 1 . . . . 68 THR N . 15352 1 680 . 1 1 69 69 GLY H H 1 8.735 0.000 . 1 . . . . 69 GLY H . 15352 1 681 . 1 1 69 69 GLY HA2 H 1 3.684 0.002 . 2 . . . . 69 GLY HA2 . 15352 1 682 . 1 1 69 69 GLY HA3 H 1 3.960 0.001 . 2 . . . . 69 GLY HA3 . 15352 1 683 . 1 1 69 69 GLY C C 13 179.071 0.000 . 1 . . . . 69 GLY C . 15352 1 684 . 1 1 69 69 GLY CA C 13 45.891 0.000 . 1 . . . . 69 GLY CA . 15352 1 685 . 1 1 69 69 GLY N N 15 109.358 0.000 . 1 . . . . 69 GLY N . 15352 1 686 . 1 1 70 70 ASP H H 1 8.338 0.000 . 1 . . . . 70 ASP H . 15352 1 687 . 1 1 70 70 ASP HA H 1 4.575 0.002 . 1 . . . . 70 ASP HA . 15352 1 688 . 1 1 70 70 ASP HB2 H 1 2.565 0.000 . 2 . . . . 70 ASP HB2 . 15352 1 689 . 1 1 70 70 ASP HB3 H 1 2.688 0.000 . 2 . . . . 70 ASP HB3 . 15352 1 690 . 1 1 70 70 ASP C C 13 176.269 0.000 . 1 . . . . 70 ASP C . 15352 1 691 . 1 1 70 70 ASP CA C 13 55.279 0.000 . 1 . . . . 70 ASP CA . 15352 1 692 . 1 1 70 70 ASP CB C 13 41.051 0.000 . 1 . . . . 70 ASP CB . 15352 1 693 . 1 1 70 70 ASP N N 15 120.729 0.000 . 1 . . . . 70 ASP N . 15352 1 694 . 1 1 71 71 GLU H H 1 8.010 0.003 . 1 . . . . 71 GLU H . 15352 1 695 . 1 1 71 71 GLU HA H 1 4.287 0.000 . 1 . . . . 71 GLU HA . 15352 1 696 . 1 1 71 71 GLU HB2 H 1 1.989 0.000 . 2 . . . . 71 GLU HB2 . 15352 1 697 . 1 1 71 71 GLU HB3 H 1 2.217 0.000 . 2 . . . . 71 GLU HB3 . 15352 1 698 . 1 1 71 71 GLU HG2 H 1 2.231 0.001 . 2 . . . . 71 GLU HG2 . 15352 1 699 . 1 1 71 71 GLU HG3 H 1 2.296 0.001 . 2 . . . . 71 GLU HG3 . 15352 1 700 . 1 1 71 71 GLU C C 13 176.221 0.000 . 1 . . . . 71 GLU C . 15352 1 701 . 1 1 71 71 GLU CA C 13 56.009 0.000 . 1 . . . . 71 GLU CA . 15352 1 702 . 1 1 71 71 GLU CB C 13 30.496 0.000 . 1 . . . . 71 GLU CB . 15352 1 703 . 1 1 71 71 GLU CG C 13 36.827 0.000 . 1 . . . . 71 GLU CG . 15352 1 704 . 1 1 71 71 GLU N N 15 117.932 0.036 . 1 . . . . 71 GLU N . 15352 1 705 . 1 1 72 72 ILE H H 1 7.504 0.000 . 1 . . . . 72 ILE H . 15352 1 706 . 1 1 72 72 ILE HA H 1 3.305 0.000 . 1 . . . . 72 ILE HA . 15352 1 707 . 1 1 72 72 ILE HB H 1 1.282 0.000 . 1 . . . . 72 ILE HB . 15352 1 708 . 1 1 72 72 ILE HD11 H 1 0.767 0.005 . 1 . . . . 72 ILE QD1 . 15352 1 709 . 1 1 72 72 ILE HD12 H 1 0.767 0.005 . 1 . . . . 72 ILE QD1 . 15352 1 710 . 1 1 72 72 ILE HD13 H 1 0.767 0.005 . 1 . . . . 72 ILE QD1 . 15352 1 711 . 1 1 72 72 ILE HG12 H 1 0.838 0.000 . 2 . . . . 72 ILE HG12 . 15352 1 712 . 1 1 72 72 ILE HG13 H 1 1.185 0.000 . 2 . . . . 72 ILE HG13 . 15352 1 713 . 1 1 72 72 ILE HG21 H 1 -0.135 0.000 . 1 . . . . 72 ILE QG2 . 15352 1 714 . 1 1 72 72 ILE HG22 H 1 -0.135 0.000 . 1 . . . . 72 ILE QG2 . 15352 1 715 . 1 1 72 72 ILE HG23 H 1 -0.135 0.000 . 1 . . . . 72 ILE QG2 . 15352 1 716 . 1 1 72 72 ILE C C 13 174.893 0.000 . 1 . . . . 72 ILE C . 15352 1 717 . 1 1 72 72 ILE CA C 13 62.850 0.000 . 1 . . . . 72 ILE CA . 15352 1 718 . 1 1 72 72 ILE CB C 13 39.167 0.000 . 1 . . . . 72 ILE CB . 15352 1 719 . 1 1 72 72 ILE CD1 C 13 14.492 0.000 . 1 . . . . 72 ILE CD1 . 15352 1 720 . 1 1 72 72 ILE CG1 C 13 14.353 0.000 . 1 . . . . 72 ILE CG1 . 15352 1 721 . 1 1 72 72 ILE CG2 C 13 16.088 0.000 . 1 . . . . 72 ILE CG2 . 15352 1 722 . 1 1 72 72 ILE N N 15 121.056 0.000 . 1 . . . . 72 ILE N . 15352 1 723 . 1 1 73 73 LYS H H 1 8.321 0.000 . 1 . . . . 73 LYS H . 15352 1 724 . 1 1 73 73 LYS HA H 1 4.498 0.000 . 1 . . . . 73 LYS HA . 15352 1 725 . 1 1 73 73 LYS HB2 H 1 1.809 0.000 . 2 . . . . 73 LYS HB2 . 15352 1 726 . 1 1 73 73 LYS HB3 H 1 1.655 0.000 . 2 . . . . 73 LYS HB3 . 15352 1 727 . 1 1 73 73 LYS HD2 H 1 1.691 0.000 . 2 . . . . 73 LYS HD2 . 15352 1 728 . 1 1 73 73 LYS HD3 H 1 1.690 0.000 . 2 . . . . 73 LYS HD3 . 15352 1 729 . 1 1 73 73 LYS HE2 H 1 3.040 0.000 . 2 . . . . 73 LYS HE2 . 15352 1 730 . 1 1 73 73 LYS HE3 H 1 3.041 0.000 . 2 . . . . 73 LYS HE3 . 15352 1 731 . 1 1 73 73 LYS HG2 H 1 1.409 0.000 . 2 . . . . 73 LYS HG2 . 15352 1 732 . 1 1 73 73 LYS HG3 H 1 1.319 0.000 . 2 . . . . 73 LYS HG3 . 15352 1 733 . 1 1 73 73 LYS C C 13 174.552 0.000 . 1 . . . . 73 LYS C . 15352 1 734 . 1 1 73 73 LYS CA C 13 53.863 0.000 . 1 . . . . 73 LYS CA . 15352 1 735 . 1 1 73 73 LYS CB C 13 30.394 0.000 . 1 . . . . 73 LYS CB . 15352 1 736 . 1 1 73 73 LYS CD C 13 28.780 0.000 . 1 . . . . 73 LYS CD . 15352 1 737 . 1 1 73 73 LYS CE C 13 42.281 0.000 . 1 . . . . 73 LYS CE . 15352 1 738 . 1 1 73 73 LYS CG C 13 24.519 0.000 . 1 . . . . 73 LYS CG . 15352 1 739 . 1 1 73 73 LYS N N 15 130.269 0.000 . 1 . . . . 73 LYS N . 15352 1 740 . 1 1 74 74 HIS H H 1 8.075 0.000 . 1 . . . . 74 HIS H . 15352 1 741 . 1 1 74 74 HIS HA H 1 4.030 0.001 . 1 . . . . 74 HIS HA . 15352 1 742 . 1 1 74 74 HIS HB2 H 1 3.298 0.000 . 2 . . . . 74 HIS HB2 . 15352 1 743 . 1 1 74 74 HIS HB3 H 1 2.781 0.008 . 2 . . . . 74 HIS HB3 . 15352 1 744 . 1 1 74 74 HIS HD2 H 1 7.311 0.000 . 1 . . . . 74 HIS HD2 . 15352 1 745 . 1 1 74 74 HIS HE1 H 1 7.656 0.000 . 1 . . . . 74 HIS HE1 . 15352 1 746 . 1 1 74 74 HIS C C 13 176.010 0.000 . 1 . . . . 74 HIS C . 15352 1 747 . 1 1 74 74 HIS CA C 13 56.659 0.000 . 1 . . . . 74 HIS CA . 15352 1 748 . 1 1 74 74 HIS CB C 13 31.990 0.000 . 1 . . . . 74 HIS CB . 15352 1 749 . 1 1 74 74 HIS CD2 C 13 120.423 0.000 . 1 . . . . 74 HIS CD2 . 15352 1 750 . 1 1 74 74 HIS CE1 C 13 136.050 0.000 . 1 . . . . 74 HIS CE1 . 15352 1 751 . 1 1 74 74 HIS N N 15 123.145 0.000 . 1 . . . . 74 HIS N . 15352 1 752 . 1 1 75 75 ALA H H 1 8.904 0.002 . 1 . . . . 75 ALA H . 15352 1 753 . 1 1 75 75 ALA HA H 1 4.290 0.000 . 1 . . . . 75 ALA HA . 15352 1 754 . 1 1 75 75 ALA HB1 H 1 1.619 0.000 . 1 . . . . 75 ALA QB . 15352 1 755 . 1 1 75 75 ALA HB2 H 1 1.619 0.000 . 1 . . . . 75 ALA QB . 15352 1 756 . 1 1 75 75 ALA HB3 H 1 1.619 0.000 . 1 . . . . 75 ALA QB . 15352 1 757 . 1 1 75 75 ALA C C 13 178.132 0.000 . 1 . . . . 75 ALA C . 15352 1 758 . 1 1 75 75 ALA CA C 13 52.151 0.000 . 1 . . . . 75 ALA CA . 15352 1 759 . 1 1 75 75 ALA CB C 13 20.127 0.000 . 1 . . . . 75 ALA CB . 15352 1 760 . 1 1 75 75 ALA N N 15 127.999 0.000 . 1 . . . . 75 ALA N . 15352 1 761 . 1 1 76 76 ASP H H 1 8.565 0.002 . 1 . . . . 76 ASP H . 15352 1 762 . 1 1 76 76 ASP HA H 1 4.302 0.000 . 1 . . . . 76 ASP HA . 15352 1 763 . 1 1 76 76 ASP HB2 H 1 2.685 0.000 . 2 . . . . 76 ASP HB2 . 15352 1 764 . 1 1 76 76 ASP HB3 H 1 2.591 0.000 . 2 . . . . 76 ASP HB3 . 15352 1 765 . 1 1 76 76 ASP C C 13 176.593 0.000 . 1 . . . . 76 ASP C . 15352 1 766 . 1 1 76 76 ASP CA C 13 57.048 0.000 . 1 . . . . 76 ASP CA . 15352 1 767 . 1 1 76 76 ASP CB C 13 40.601 0.000 . 1 . . . . 76 ASP CB . 15352 1 768 . 1 1 76 76 ASP N N 15 118.700 0.000 . 1 . . . . 76 ASP N . 15352 1 769 . 1 1 77 77 ASP H H 1 8.181 0.002 . 1 . . . . 77 ASP H . 15352 1 770 . 1 1 77 77 ASP HA H 1 4.512 0.005 . 1 . . . . 77 ASP HA . 15352 1 771 . 1 1 77 77 ASP HB2 H 1 2.884 0.000 . 2 . . . . 77 ASP HB2 . 15352 1 772 . 1 1 77 77 ASP HB3 H 1 2.538 0.000 . 2 . . . . 77 ASP HB3 . 15352 1 773 . 1 1 77 77 ASP C C 13 175.492 0.000 . 1 . . . . 77 ASP C . 15352 1 774 . 1 1 77 77 ASP CA C 13 52.189 0.000 . 1 . . . . 77 ASP CA . 15352 1 775 . 1 1 77 77 ASP CB C 13 39.627 0.000 . 1 . . . . 77 ASP CB . 15352 1 776 . 1 1 77 77 ASP N N 15 114.005 0.000 . 1 . . . . 77 ASP N . 15352 1 777 . 1 1 78 78 CYS H H 1 7.930 0.007 . 1 . . . . 78 CYS H . 15352 1 778 . 1 1 78 78 CYS HA H 1 4.577 0.000 . 1 . . . . 78 CYS HA . 15352 1 779 . 1 1 78 78 CYS HB2 H 1 2.961 0.008 . 2 . . . . 78 CYS HB2 . 15352 1 780 . 1 1 78 78 CYS HB3 H 1 3.170 0.001 . 2 . . . . 78 CYS HB3 . 15352 1 781 . 1 1 78 78 CYS CA C 13 58.527 0.000 . 1 . . . . 78 CYS CA . 15352 1 782 . 1 1 78 78 CYS CB C 13 31.502 0.000 . 1 . . . . 78 CYS CB . 15352 1 783 . 1 1 78 78 CYS N N 15 124.941 0.000 . 1 . . . . 78 CYS N . 15352 1 784 . 1 1 79 79 PRO HA H 1 4.134 0.001 . 1 . . . . 79 PRO HA . 15352 1 785 . 1 1 79 79 PRO HB2 H 1 2.012 0.003 . 2 . . . . 79 PRO HB2 . 15352 1 786 . 1 1 79 79 PRO HB3 H 1 2.015 0.000 . 2 . . . . 79 PRO HB3 . 15352 1 787 . 1 1 79 79 PRO HD2 H 1 3.630 0.000 . 2 . . . . 79 PRO HD2 . 15352 1 788 . 1 1 79 79 PRO HD3 H 1 3.629 0.000 . 2 . . . . 79 PRO HD3 . 15352 1 789 . 1 1 79 79 PRO HG2 H 1 2.177 0.000 . 2 . . . . 79 PRO HG2 . 15352 1 790 . 1 1 79 79 PRO HG3 H 1 2.180 0.000 . 2 . . . . 79 PRO HG3 . 15352 1 791 . 1 1 79 79 PRO C C 13 176.609 0.000 . 1 . . . . 79 PRO C . 15352 1 792 . 1 1 79 79 PRO CA C 13 65.078 0.000 . 1 . . . . 79 PRO CA . 15352 1 793 . 1 1 79 79 PRO CB C 13 33.027 0.102 . 1 . . . . 79 PRO CB . 15352 1 794 . 1 1 79 79 PRO CD C 13 50.280 0.000 . 1 . . . . 79 PRO CD . 15352 1 795 . 1 1 79 79 PRO CG C 13 28.007 0.000 . 1 . . . . 79 PRO CG . 15352 1 796 . 1 1 80 80 VAL H H 1 9.180 0.000 . 1 . . . . 80 VAL H . 15352 1 797 . 1 1 80 80 VAL HA H 1 3.186 0.004 . 1 . . . . 80 VAL HA . 15352 1 798 . 1 1 80 80 VAL HB H 1 1.548 0.000 . 1 . . . . 80 VAL HB . 15352 1 799 . 1 1 80 80 VAL HG11 H 1 0.420 0.000 . 2 . . . . 80 VAL QG1 . 15352 1 800 . 1 1 80 80 VAL HG12 H 1 0.420 0.000 . 2 . . . . 80 VAL QG1 . 15352 1 801 . 1 1 80 80 VAL HG13 H 1 0.420 0.000 . 2 . . . . 80 VAL QG1 . 15352 1 802 . 1 1 80 80 VAL HG21 H 1 0.750 0.003 . 2 . . . . 80 VAL QG2 . 15352 1 803 . 1 1 80 80 VAL HG22 H 1 0.750 0.003 . 2 . . . . 80 VAL QG2 . 15352 1 804 . 1 1 80 80 VAL HG23 H 1 0.750 0.003 . 2 . . . . 80 VAL QG2 . 15352 1 805 . 1 1 80 80 VAL C C 13 177.079 0.000 . 1 . . . . 80 VAL C . 15352 1 806 . 1 1 80 80 VAL CA C 13 67.239 0.000 . 1 . . . . 80 VAL CA . 15352 1 807 . 1 1 80 80 VAL CB C 13 30.275 0.000 . 1 . . . . 80 VAL CB . 15352 1 808 . 1 1 80 80 VAL CG1 C 13 20.825 0.000 . 1 . . . . 80 VAL CG1 . 15352 1 809 . 1 1 80 80 VAL CG2 C 13 24.608 0.000 . 1 . . . . 80 VAL CG2 . 15352 1 810 . 1 1 80 80 VAL N N 15 118.628 0.000 . 1 . . . . 80 VAL N . 15352 1 811 . 1 1 81 81 VAL H H 1 7.355 0.000 . 1 . . . . 81 VAL H . 15352 1 812 . 1 1 81 81 VAL HA H 1 3.379 0.000 . 1 . . . . 81 VAL HA . 15352 1 813 . 1 1 81 81 VAL HB H 1 2.231 0.000 . 1 . . . . 81 VAL HB . 15352 1 814 . 1 1 81 81 VAL HG11 H 1 1.051 0.003 . 2 . . . . 81 VAL QG1 . 15352 1 815 . 1 1 81 81 VAL HG12 H 1 1.051 0.003 . 2 . . . . 81 VAL QG1 . 15352 1 816 . 1 1 81 81 VAL HG13 H 1 1.051 0.003 . 2 . . . . 81 VAL QG1 . 15352 1 817 . 1 1 81 81 VAL HG21 H 1 0.944 0.000 . 2 . . . . 81 VAL QG2 . 15352 1 818 . 1 1 81 81 VAL HG22 H 1 0.944 0.000 . 2 . . . . 81 VAL QG2 . 15352 1 819 . 1 1 81 81 VAL HG23 H 1 0.944 0.000 . 2 . . . . 81 VAL QG2 . 15352 1 820 . 1 1 81 81 VAL C C 13 178.682 0.000 . 1 . . . . 81 VAL C . 15352 1 821 . 1 1 81 81 VAL CA C 13 66.152 0.000 . 1 . . . . 81 VAL CA . 15352 1 822 . 1 1 81 81 VAL CB C 13 31.579 0.000 . 1 . . . . 81 VAL CB . 15352 1 823 . 1 1 81 81 VAL CG1 C 13 23.317 0.000 . 1 . . . . 81 VAL CG1 . 15352 1 824 . 1 1 81 81 VAL CG2 C 13 20.887 0.000 . 1 . . . . 81 VAL CG2 . 15352 1 825 . 1 1 81 81 VAL N N 15 118.372 0.000 . 1 . . . . 81 VAL N . 15352 1 826 . 1 1 82 82 ILE H H 1 6.695 0.002 . 1 . . . . 82 ILE H . 15352 1 827 . 1 1 82 82 ILE HA H 1 3.657 0.000 . 1 . . . . 82 ILE HA . 15352 1 828 . 1 1 82 82 ILE HB H 1 1.851 0.000 . 1 . . . . 82 ILE HB . 15352 1 829 . 1 1 82 82 ILE HD11 H 1 0.822 0.006 . 1 . . . . 82 ILE QD1 . 15352 1 830 . 1 1 82 82 ILE HD12 H 1 0.822 0.006 . 1 . . . . 82 ILE QD1 . 15352 1 831 . 1 1 82 82 ILE HD13 H 1 0.822 0.006 . 1 . . . . 82 ILE QD1 . 15352 1 832 . 1 1 82 82 ILE HG12 H 1 1.531 0.000 . 2 . . . . 82 ILE HG12 . 15352 1 833 . 1 1 82 82 ILE HG13 H 1 1.043 0.000 . 2 . . . . 82 ILE HG13 . 15352 1 834 . 1 1 82 82 ILE HG21 H 1 0.836 0.006 . 1 . . . . 82 ILE QG2 . 15352 1 835 . 1 1 82 82 ILE HG22 H 1 0.836 0.006 . 1 . . . . 82 ILE QG2 . 15352 1 836 . 1 1 82 82 ILE HG23 H 1 0.836 0.006 . 1 . . . . 82 ILE QG2 . 15352 1 837 . 1 1 82 82 ILE C C 13 177.970 0.000 . 1 . . . . 82 ILE C . 15352 1 838 . 1 1 82 82 ILE CA C 13 63.638 0.000 . 1 . . . . 82 ILE CA . 15352 1 839 . 1 1 82 82 ILE CB C 13 37.457 0.000 . 1 . . . . 82 ILE CB . 15352 1 840 . 1 1 82 82 ILE CD1 C 13 13.752 0.000 . 1 . . . . 82 ILE CD1 . 15352 1 841 . 1 1 82 82 ILE CG1 C 13 27.650 0.000 . 1 . . . . 82 ILE CG1 . 15352 1 842 . 1 1 82 82 ILE CG2 C 13 17.787 0.000 . 1 . . . . 82 ILE CG2 . 15352 1 843 . 1 1 82 82 ILE N N 15 118.836 0.000 . 1 . . . . 82 ILE N . 15352 1 844 . 1 1 83 83 ALA H H 1 7.854 0.000 . 1 . . . . 83 ALA H . 15352 1 845 . 1 1 83 83 ALA HA H 1 3.815 0.000 . 1 . . . . 83 ALA HA . 15352 1 846 . 1 1 83 83 ALA HB1 H 1 1.512 0.000 . 1 . . . . 83 ALA QB . 15352 1 847 . 1 1 83 83 ALA HB2 H 1 1.512 0.000 . 1 . . . . 83 ALA QB . 15352 1 848 . 1 1 83 83 ALA HB3 H 1 1.512 0.000 . 1 . . . . 83 ALA QB . 15352 1 849 . 1 1 83 83 ALA C C 13 178.504 0.000 . 1 . . . . 83 ALA C . 15352 1 850 . 1 1 83 83 ALA CA C 13 55.461 0.000 . 1 . . . . 83 ALA CA . 15352 1 851 . 1 1 83 83 ALA CB C 13 18.099 0.000 . 1 . . . . 83 ALA CB . 15352 1 852 . 1 1 83 83 ALA N N 15 121.539 0.000 . 1 . . . . 83 ALA N . 15352 1 853 . 1 1 84 84 LYS H H 1 8.191 0.001 . 1 . . . . 84 LYS H . 15352 1 854 . 1 1 84 84 LYS HA H 1 3.856 0.004 . 1 . . . . 84 LYS HA . 15352 1 855 . 1 1 84 84 LYS HB2 H 1 1.851 0.005 . 2 . . . . 84 LYS HB2 . 15352 1 856 . 1 1 84 84 LYS HB3 H 1 1.854 0.000 . 2 . . . . 84 LYS HB3 . 15352 1 857 . 1 1 84 84 LYS HD2 H 1 1.684 0.004 . 2 . . . . 84 LYS HD2 . 15352 1 858 . 1 1 84 84 LYS HD3 H 1 1.614 0.002 . 2 . . . . 84 LYS HD3 . 15352 1 859 . 1 1 84 84 LYS HE2 H 1 2.932 0.006 . 2 . . . . 84 LYS HE2 . 15352 1 860 . 1 1 84 84 LYS HE3 H 1 2.934 0.000 . 2 . . . . 84 LYS HE3 . 15352 1 861 . 1 1 84 84 LYS HG2 H 1 1.386 0.006 . 2 . . . . 84 LYS HG2 . 15352 1 862 . 1 1 84 84 LYS HG3 H 1 1.729 0.000 . 2 . . . . 84 LYS HG3 . 15352 1 863 . 1 1 84 84 LYS C C 13 179.508 0.000 . 1 . . . . 84 LYS C . 15352 1 864 . 1 1 84 84 LYS CA C 13 60.154 0.000 . 1 . . . . 84 LYS CA . 15352 1 865 . 1 1 84 84 LYS CB C 13 32.280 0.031 . 1 . . . . 84 LYS CB . 15352 1 866 . 1 1 84 84 LYS CD C 13 29.690 0.000 . 1 . . . . 84 LYS CD . 15352 1 867 . 1 1 84 84 LYS CE C 13 41.780 0.000 . 1 . . . . 84 LYS CE . 15352 1 868 . 1 1 84 84 LYS CG C 13 26.483 0.000 . 1 . . . . 84 LYS CG . 15352 1 869 . 1 1 84 84 LYS N N 15 115.338 0.000 . 1 . . . . 84 LYS N . 15352 1 870 . 1 1 85 85 GLN H H 1 7.916 0.001 . 1 . . . . 85 GLN H . 15352 1 871 . 1 1 85 85 GLN HA H 1 4.032 0.000 . 1 . . . . 85 GLN HA . 15352 1 872 . 1 1 85 85 GLN HB2 H 1 2.308 0.000 . 2 . . . . 85 GLN HB2 . 15352 1 873 . 1 1 85 85 GLN HB3 H 1 2.188 0.007 . 2 . . . . 85 GLN HB3 . 15352 1 874 . 1 1 85 85 GLN HE21 H 1 7.283 0.000 . 2 . . . . 85 GLN HE21 . 15352 1 875 . 1 1 85 85 GLN HE22 H 1 6.831 0.000 . 2 . . . . 85 GLN HE22 . 15352 1 876 . 1 1 85 85 GLN HG2 H 1 2.374 0.003 . 2 . . . . 85 GLN HG2 . 15352 1 877 . 1 1 85 85 GLN HG3 H 1 2.522 0.009 . 2 . . . . 85 GLN HG3 . 15352 1 878 . 1 1 85 85 GLN C C 13 179.508 0.000 . 1 . . . . 85 GLN C . 15352 1 879 . 1 1 85 85 GLN CA C 13 58.670 0.000 . 1 . . . . 85 GLN CA . 15352 1 880 . 1 1 85 85 GLN CB C 13 28.148 0.000 . 1 . . . . 85 GLN CB . 15352 1 881 . 1 1 85 85 GLN CG C 13 33.720 0.000 . 1 . . . . 85 GLN CG . 15352 1 882 . 1 1 85 85 GLN N N 15 120.283 0.000 . 1 . . . . 85 GLN N . 15352 1 883 . 1 1 85 85 GLN NE2 N 15 110.795 0.000 . 1 . . . . 85 GLN NE2 . 15352 1 884 . 1 1 86 86 ILE H H 1 8.306 0.000 . 1 . . . . 86 ILE H . 15352 1 885 . 1 1 86 86 ILE HA H 1 3.482 0.001 . 1 . . . . 86 ILE HA . 15352 1 886 . 1 1 86 86 ILE HB H 1 1.812 0.000 . 1 . . . . 86 ILE HB . 15352 1 887 . 1 1 86 86 ILE HD11 H 1 0.529 0.000 . 1 . . . . 86 ILE QD1 . 15352 1 888 . 1 1 86 86 ILE HD12 H 1 0.529 0.000 . 1 . . . . 86 ILE QD1 . 15352 1 889 . 1 1 86 86 ILE HD13 H 1 0.529 0.000 . 1 . . . . 86 ILE QD1 . 15352 1 890 . 1 1 86 86 ILE HG12 H 1 1.436 0.000 . 2 . . . . 86 ILE HG12 . 15352 1 891 . 1 1 86 86 ILE HG13 H 1 1.473 0.000 . 2 . . . . 86 ILE HG13 . 15352 1 892 . 1 1 86 86 ILE HG21 H 1 0.677 0.000 . 1 . . . . 86 ILE QG2 . 15352 1 893 . 1 1 86 86 ILE HG22 H 1 0.677 0.000 . 1 . . . . 86 ILE QG2 . 15352 1 894 . 1 1 86 86 ILE HG23 H 1 0.677 0.000 . 1 . . . . 86 ILE QG2 . 15352 1 895 . 1 1 86 86 ILE C C 13 178.277 0.000 . 1 . . . . 86 ILE C . 15352 1 896 . 1 1 86 86 ILE CA C 13 64.979 0.000 . 1 . . . . 86 ILE CA . 15352 1 897 . 1 1 86 86 ILE CB C 13 37.805 0.000 . 1 . . . . 86 ILE CB . 15352 1 898 . 1 1 86 86 ILE CD1 C 13 14.099 0.000 . 1 . . . . 86 ILE CD1 . 15352 1 899 . 1 1 86 86 ILE CG1 C 13 28.953 0.000 . 1 . . . . 86 ILE CG1 . 15352 1 900 . 1 1 86 86 ILE CG2 C 13 16.939 0.000 . 1 . . . . 86 ILE CG2 . 15352 1 901 . 1 1 86 86 ILE N N 15 121.662 0.000 . 1 . . . . 86 ILE N . 15352 1 902 . 1 1 87 87 LEU H H 1 7.720 0.000 . 1 . . . . 87 LEU H . 15352 1 903 . 1 1 87 87 LEU HA H 1 4.160 0.000 . 1 . . . . 87 LEU HA . 15352 1 904 . 1 1 87 87 LEU HB2 H 1 1.775 0.000 . 2 . . . . 87 LEU HB2 . 15352 1 905 . 1 1 87 87 LEU HB3 H 1 1.585 0.000 . 2 . . . . 87 LEU HB3 . 15352 1 906 . 1 1 87 87 LEU HD11 H 1 0.937 0.000 . 2 . . . . 87 LEU QD1 . 15352 1 907 . 1 1 87 87 LEU HD12 H 1 0.937 0.000 . 2 . . . . 87 LEU QD1 . 15352 1 908 . 1 1 87 87 LEU HD13 H 1 0.937 0.000 . 2 . . . . 87 LEU QD1 . 15352 1 909 . 1 1 87 87 LEU HD21 H 1 0.791 0.000 . 2 . . . . 87 LEU QD2 . 15352 1 910 . 1 1 87 87 LEU HD22 H 1 0.791 0.000 . 2 . . . . 87 LEU QD2 . 15352 1 911 . 1 1 87 87 LEU HD23 H 1 0.791 0.000 . 2 . . . . 87 LEU QD2 . 15352 1 912 . 1 1 87 87 LEU HG H 1 1.761 0.000 . 1 . . . . 87 LEU HG . 15352 1 913 . 1 1 87 87 LEU C C 13 178.245 0.000 . 1 . . . . 87 LEU C . 15352 1 914 . 1 1 87 87 LEU CA C 13 56.097 0.000 . 1 . . . . 87 LEU CA . 15352 1 915 . 1 1 87 87 LEU CB C 13 41.882 0.000 . 1 . . . . 87 LEU CB . 15352 1 916 . 1 1 87 87 LEU CD1 C 13 22.132 0.000 . 1 . . . . 87 LEU CD1 . 15352 1 917 . 1 1 87 87 LEU CD2 C 13 25.383 0.000 . 1 . . . . 87 LEU CD2 . 15352 1 918 . 1 1 87 87 LEU CG C 13 26.770 0.000 . 1 . . . . 87 LEU CG . 15352 1 919 . 1 1 87 87 LEU N N 15 118.073 0.000 . 1 . . . . 87 LEU N . 15352 1 920 . 1 1 88 88 SER H H 1 7.795 0.000 . 1 . . . . 88 SER H . 15352 1 921 . 1 1 88 88 SER HA H 1 4.425 0.000 . 1 . . . . 88 SER HA . 15352 1 922 . 1 1 88 88 SER HB2 H 1 4.008 0.000 . 2 . . . . 88 SER HB2 . 15352 1 923 . 1 1 88 88 SER HB3 H 1 4.010 0.000 . 2 . . . . 88 SER HB3 . 15352 1 924 . 1 1 88 88 SER C C 13 174.504 0.000 . 1 . . . . 88 SER C . 15352 1 925 . 1 1 88 88 SER CA C 13 59.391 0.000 . 1 . . . . 88 SER CA . 15352 1 926 . 1 1 88 88 SER CB C 13 63.551 0.000 . 1 . . . . 88 SER CB . 15352 1 927 . 1 1 88 88 SER N N 15 114.221 0.000 . 1 . . . . 88 SER N . 15352 1 928 . 1 1 89 89 SER H H 1 7.807 0.000 . 1 . . . . 89 SER H . 15352 1 929 . 1 1 89 89 SER HA H 1 4.495 0.000 . 1 . . . . 89 SER HA . 15352 1 930 . 1 1 89 89 SER HB2 H 1 4.020 0.001 . 2 . . . . 89 SER HB2 . 15352 1 931 . 1 1 89 89 SER HB3 H 1 4.021 0.000 . 2 . . . . 89 SER HB3 . 15352 1 932 . 1 1 89 89 SER C C 13 173.921 0.000 . 1 . . . . 89 SER C . 15352 1 933 . 1 1 89 89 SER CA C 13 58.704 0.000 . 1 . . . . 89 SER CA . 15352 1 934 . 1 1 89 89 SER CB C 13 63.911 0.000 . 1 . . . . 89 SER CB . 15352 1 935 . 1 1 89 89 SER N N 15 116.981 0.000 . 1 . . . . 89 SER N . 15352 1 936 . 1 1 90 90 ARG H H 1 8.134 0.000 . 1 . . . . 90 ARG H . 15352 1 937 . 1 1 90 90 ARG HA H 1 4.645 0.000 . 1 . . . . 90 ARG HA . 15352 1 938 . 1 1 90 90 ARG HB2 H 1 1.859 0.000 . 2 . . . . 90 ARG HB2 . 15352 1 939 . 1 1 90 90 ARG HB3 H 1 1.739 0.000 . 2 . . . . 90 ARG HB3 . 15352 1 940 . 1 1 90 90 ARG HD2 H 1 3.165 0.000 . 2 . . . . 90 ARG HD2 . 15352 1 941 . 1 1 90 90 ARG HD3 H 1 3.150 0.000 . 2 . . . . 90 ARG HD3 . 15352 1 942 . 1 1 90 90 ARG HG2 H 1 1.671 0.001 . 2 . . . . 90 ARG HG2 . 15352 1 943 . 1 1 90 90 ARG HG3 H 1 1.675 0.000 . 2 . . . . 90 ARG HG3 . 15352 1 944 . 1 1 90 90 ARG CA C 13 53.743 0.000 . 1 . . . . 90 ARG CA . 15352 1 945 . 1 1 90 90 ARG CB C 13 30.367 0.000 . 1 . . . . 90 ARG CB . 15352 1 946 . 1 1 90 90 ARG CD C 13 43.100 0.000 . 1 . . . . 90 ARG CD . 15352 1 947 . 1 1 90 90 ARG CG C 13 26.685 0.000 . 1 . . . . 90 ARG CG . 15352 1 948 . 1 1 90 90 ARG N N 15 123.364 0.000 . 1 . . . . 90 ARG N . 15352 1 949 . 1 1 91 91 PRO HA H 1 4.406 0.000 . 1 . . . . 91 PRO HA . 15352 1 950 . 1 1 91 91 PRO HB2 H 1 2.245 0.000 . 2 . . . . 91 PRO HB2 . 15352 1 951 . 1 1 91 91 PRO HB3 H 1 1.839 0.000 . 2 . . . . 91 PRO HB3 . 15352 1 952 . 1 1 91 91 PRO HD2 H 1 3.747 0.003 . 2 . . . . 91 PRO HD2 . 15352 1 953 . 1 1 91 91 PRO HD3 H 1 3.598 0.005 . 2 . . . . 91 PRO HD3 . 15352 1 954 . 1 1 91 91 PRO HG2 H 1 1.951 0.000 . 2 . . . . 91 PRO HG2 . 15352 1 955 . 1 1 91 91 PRO HG3 H 1 1.951 0.000 . 2 . . . . 91 PRO HG3 . 15352 1 956 . 1 1 91 91 PRO C C 13 176.528 0.000 . 1 . . . . 91 PRO C . 15352 1 957 . 1 1 91 91 PRO CA C 13 62.964 0.000 . 1 . . . . 91 PRO CA . 15352 1 958 . 1 1 91 91 PRO CB C 13 32.215 0.000 . 1 . . . . 91 PRO CB . 15352 1 959 . 1 1 91 91 PRO CD C 13 50.280 0.000 . 1 . . . . 91 PRO CD . 15352 1 960 . 1 1 91 91 PRO CG C 13 27.140 0.000 . 1 . . . . 91 PRO CG . 15352 1 961 . 1 1 92 92 LYS H H 1 8.390 0.000 . 1 . . . . 92 LYS H . 15352 1 962 . 1 1 92 92 LYS HA H 1 4.239 0.000 . 1 . . . . 92 LYS HA . 15352 1 963 . 1 1 92 92 LYS HB2 H 1 1.751 0.000 . 2 . . . . 92 LYS HB2 . 15352 1 964 . 1 1 92 92 LYS HB3 H 1 1.711 0.000 . 2 . . . . 92 LYS HB3 . 15352 1 965 . 1 1 92 92 LYS HD2 H 1 1.676 0.000 . 2 . . . . 92 LYS HD2 . 15352 1 966 . 1 1 92 92 LYS HD3 H 1 1.675 0.000 . 2 . . . . 92 LYS HD3 . 15352 1 967 . 1 1 92 92 LYS HE2 H 1 2.983 0.000 . 2 . . . . 92 LYS HE2 . 15352 1 968 . 1 1 92 92 LYS HE3 H 1 2.982 0.000 . 2 . . . . 92 LYS HE3 . 15352 1 969 . 1 1 92 92 LYS HG2 H 1 1.372 0.003 . 2 . . . . 92 LYS HG2 . 15352 1 970 . 1 1 92 92 LYS HG3 H 1 1.432 0.000 . 2 . . . . 92 LYS HG3 . 15352 1 971 . 1 1 92 92 LYS C C 13 176.285 0.000 . 1 . . . . 92 LYS C . 15352 1 972 . 1 1 92 92 LYS CA C 13 56.095 0.000 . 1 . . . . 92 LYS CA . 15352 1 973 . 1 1 92 92 LYS CB C 13 32.844 0.000 . 1 . . . . 92 LYS CB . 15352 1 974 . 1 1 92 92 LYS CD C 13 28.944 0.000 . 1 . . . . 92 LYS CD . 15352 1 975 . 1 1 92 92 LYS CE C 13 42.057 0.000 . 1 . . . . 92 LYS CE . 15352 1 976 . 1 1 92 92 LYS CG C 13 24.705 0.000 . 1 . . . . 92 LYS CG . 15352 1 977 . 1 1 92 92 LYS N N 15 121.628 0.000 . 1 . . . . 92 LYS N . 15352 1 978 . 1 1 93 93 LEU H H 1 8.223 0.000 . 1 . . . . 93 LEU H . 15352 1 979 . 1 1 93 93 LEU HA H 1 4.293 0.000 . 1 . . . . 93 LEU HA . 15352 1 980 . 1 1 93 93 LEU HB2 H 1 1.465 0.000 . 2 . . . . 93 LEU HB2 . 15352 1 981 . 1 1 93 93 LEU HB3 H 1 1.559 0.000 . 2 . . . . 93 LEU HB3 . 15352 1 982 . 1 1 93 93 LEU HD11 H 1 0.863 0.000 . 2 . . . . 93 LEU QD1 . 15352 1 983 . 1 1 93 93 LEU HD12 H 1 0.863 0.000 . 2 . . . . 93 LEU QD1 . 15352 1 984 . 1 1 93 93 LEU HD13 H 1 0.863 0.000 . 2 . . . . 93 LEU QD1 . 15352 1 985 . 1 1 93 93 LEU HD21 H 1 0.830 0.000 . 2 . . . . 93 LEU QD2 . 15352 1 986 . 1 1 93 93 LEU HD22 H 1 0.830 0.000 . 2 . . . . 93 LEU QD2 . 15352 1 987 . 1 1 93 93 LEU HD23 H 1 0.830 0.000 . 2 . . . . 93 LEU QD2 . 15352 1 988 . 1 1 93 93 LEU HG H 1 1.497 0.000 . 1 . . . . 93 LEU HG . 15352 1 989 . 1 1 93 93 LEU C C 13 176.771 0.000 . 1 . . . . 93 LEU C . 15352 1 990 . 1 1 93 93 LEU CA C 13 55.033 0.000 . 1 . . . . 93 LEU CA . 15352 1 991 . 1 1 93 93 LEU CB C 13 42.421 0.000 . 1 . . . . 93 LEU CB . 15352 1 992 . 1 1 93 93 LEU CD1 C 13 24.730 0.000 . 1 . . . . 93 LEU CD1 . 15352 1 993 . 1 1 93 93 LEU CD2 C 13 23.448 0.000 . 1 . . . . 93 LEU CD2 . 15352 1 994 . 1 1 93 93 LEU CG C 13 26.770 0.000 . 1 . . . . 93 LEU CG . 15352 1 995 . 1 1 93 93 LEU N N 15 123.670 0.000 . 1 . . . . 93 LEU N . 15352 1 996 . 1 1 94 94 HIS H H 1 8.228 0.000 . 1 . . . . 94 HIS H . 15352 1 997 . 1 1 94 94 HIS HA H 1 4.607 0.000 . 1 . . . . 94 HIS HA . 15352 1 998 . 1 1 94 94 HIS HB2 H 1 3.024 0.000 . 2 . . . . 94 HIS HB2 . 15352 1 999 . 1 1 94 94 HIS HB3 H 1 3.113 0.000 . 2 . . . . 94 HIS HB3 . 15352 1 1000 . 1 1 94 94 HIS HD2 H 1 7.080 0.000 . 1 . . . . 94 HIS HD2 . 15352 1 1001 . 1 1 94 94 HIS HE1 H 1 8.080 0.000 . 1 . . . . 94 HIS HE1 . 15352 1 1002 . 1 1 94 94 HIS C C 13 174.633 0.000 . 1 . . . . 94 HIS C . 15352 1 1003 . 1 1 94 94 HIS CA C 13 55.813 0.000 . 1 . . . . 94 HIS CA . 15352 1 1004 . 1 1 94 94 HIS CB C 13 31.014 0.000 . 1 . . . . 94 HIS CB . 15352 1 1005 . 1 1 94 94 HIS CD2 C 13 119.840 0.000 . 1 . . . . 94 HIS CD2 . 15352 1 1006 . 1 1 94 94 HIS CE1 C 13 136.050 0.000 . 1 . . . . 94 HIS CE1 . 15352 1 1007 . 1 1 94 94 HIS N N 15 120.368 0.000 . 1 . . . . 94 HIS N . 15352 1 1008 . 1 1 95 95 ALA H H 1 8.195 0.000 . 1 . . . . 95 ALA H . 15352 1 1009 . 1 1 95 95 ALA HA H 1 4.359 0.000 . 1 . . . . 95 ALA HA . 15352 1 1010 . 1 1 95 95 ALA HB1 H 1 1.352 0.000 . 1 . . . . 95 ALA QB . 15352 1 1011 . 1 1 95 95 ALA HB2 H 1 1.352 0.000 . 1 . . . . 95 ALA QB . 15352 1 1012 . 1 1 95 95 ALA HB3 H 1 1.352 0.000 . 1 . . . . 95 ALA QB . 15352 1 1013 . 1 1 95 95 ALA C C 13 176.480 0.000 . 1 . . . . 95 ALA C . 15352 1 1014 . 1 1 95 95 ALA CA C 13 52.318 0.000 . 1 . . . . 95 ALA CA . 15352 1 1015 . 1 1 95 95 ALA CB C 13 19.488 0.000 . 1 . . . . 95 ALA CB . 15352 1 1016 . 1 1 95 95 ALA N N 15 126.033 0.000 . 1 . . . . 95 ALA N . 15352 1 1017 . 1 1 96 96 VAL H H 1 7.674 0.000 . 1 . . . . 96 VAL H . 15352 1 1018 . 1 1 96 96 VAL HA H 1 4.016 0.000 . 1 . . . . 96 VAL HA . 15352 1 1019 . 1 1 96 96 VAL HB H 1 2.080 0.000 . 1 . . . . 96 VAL HB . 15352 1 1020 . 1 1 96 96 VAL HG11 H 1 0.889 0.000 . 2 . . . . 96 VAL QG1 . 15352 1 1021 . 1 1 96 96 VAL HG12 H 1 0.889 0.000 . 2 . . . . 96 VAL QG1 . 15352 1 1022 . 1 1 96 96 VAL HG13 H 1 0.889 0.000 . 2 . . . . 96 VAL QG1 . 15352 1 1023 . 1 1 96 96 VAL HG21 H 1 0.861 0.000 . 2 . . . . 96 VAL QG2 . 15352 1 1024 . 1 1 96 96 VAL HG22 H 1 0.861 0.000 . 2 . . . . 96 VAL QG2 . 15352 1 1025 . 1 1 96 96 VAL HG23 H 1 0.861 0.000 . 2 . . . . 96 VAL QG2 . 15352 1 1026 . 1 1 96 96 VAL CA C 13 63.291 0.000 . 1 . . . . 96 VAL CA . 15352 1 1027 . 1 1 96 96 VAL CB C 13 33.301 0.000 . 1 . . . . 96 VAL CB . 15352 1 1028 . 1 1 96 96 VAL CG1 C 13 21.728 0.000 . 1 . . . . 96 VAL CG1 . 15352 1 1029 . 1 1 96 96 VAL CG2 C 13 21.310 0.000 . 1 . . . . 96 VAL CG2 . 15352 1 1030 . 1 1 96 96 VAL N N 15 122.925 0.000 . 1 . . . . 96 VAL N . 15352 1 stop_ save_