data_17640 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17640 _Entry.Title ; EL222(14-222) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-12 _Entry.Accession_date 2011-05-12 _Entry.Last_release_date 2012-06-04 _Entry.Original_release_date 2012-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'chemical shifts for EL222(14-222)' _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 Abigail Nash . I. . 17640 2 Reginald McNulty . . . 17640 3 Mary Shillito . E. . 17640 4 Trevor Swartz . E. . 17640 5 Roberto Bogomolni . A. . 17640 6 Hartmut Luecke . . . 17640 7 Kevin Gardner . H. . 17640 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17640 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 17640 '15N chemical shifts' 167 17640 '1H chemical shifts' 655 17640 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-04 2011-05-12 original author . 17640 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3P7N 'EL222 molecular coordinates' 17640 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17640 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21606338 _Citation.Full_citation . _Citation.Title 'Structural basis of photosensitivity in a bacterial light-oxygen-voltage/helix-turn-helix (LOV-HTH) DNA-binding protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 23 _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 9449 _Citation.Page_last 9454 _Citation.Year 2011 _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 Abigail Nash . I. . 17640 1 2 Reginald McNulty . . . 17640 1 3 'Mary Elizabeth' Shillito . . . 17640 1 4 Trevor Swartz . E. . 17640 1 5 Roberto Bogomolni . A. . 17640 1 6 Hartmut Luecke . . . 17640 1 7 Kevin Gardner . H. . 17640 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17640 _Assembly.ID 1 _Assembly.Name 'EL222 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'EL222(14-222) protein' 1 $EL222(14-222) A . yes native no no . . . 17640 1 2 FMN 2 $FMN A . no native no no . . . 17640 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3P7N . . X-ray 2.1 . . 17640 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'blue light photosensing' 17640 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EL222(14-222) _Entity.Sf_category entity _Entity.Sf_framecode EL222(14-222) _Entity.Entry_ID 17640 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EL222(14-222) _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 ; GEFGADDTRVEVQPPAQWVL DLIEASPIASVVSDPRLADN PLIAINQAFTDLTGYSEEEC VGRNCRFLAGSGTEPWLTDK IRQGVREHKPVLVEILNYKK DGTPFRNAVLVAPIYDDDDE LLYFLGSQVEVDDDQPNMGM ARRERAAEMLKTLSPRQLEV TTLVASGLRNKEVAARLGLS EKTVKMHRGLVMEKLNLKTS ADLVRIAVEAGI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; EL222 = Erythrobactor litoralis HTCC2594 protein, 222aa total. GB incorrectly annotated to function and start Met aa. first three residues (GEF) are vector-derived; remainder of sequence are residues 14-222 of protein ; _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 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 3P7N . "Crystal Structure Of Light Activated Transcription Factor El222 From Erythrobacter Litoralis" . . . . . 100.00 258 99.06 99.06 1.16e-148 . . . . 17640 1 2 no GB ABC63043 . "sensor histidine kinase [Erythrobacter litoralis HTCC2594]" . . . . . 100.00 225 99.06 99.06 6.09e-149 . . . . 17640 1 3 no REF WP_041685679 . "histidine kinase [Erythrobacter litoralis]" . . . . . 94.81 201 99.50 100.00 8.44e-143 . . . . 17640 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'biological photosensor' 17640 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 . GLY . 17640 1 2 . GLU . 17640 1 3 . PHE . 17640 1 4 . GLY . 17640 1 5 . ALA . 17640 1 6 . ASP . 17640 1 7 . ASP . 17640 1 8 . THR . 17640 1 9 . ARG . 17640 1 10 . VAL . 17640 1 11 . GLU . 17640 1 12 . VAL . 17640 1 13 . GLN . 17640 1 14 . PRO . 17640 1 15 . PRO . 17640 1 16 . ALA . 17640 1 17 . GLN . 17640 1 18 . TRP . 17640 1 19 . VAL . 17640 1 20 . LEU . 17640 1 21 . ASP . 17640 1 22 . LEU . 17640 1 23 . ILE . 17640 1 24 . GLU . 17640 1 25 . ALA . 17640 1 26 . SER . 17640 1 27 . PRO . 17640 1 28 . ILE . 17640 1 29 . ALA . 17640 1 30 . SER . 17640 1 31 . VAL . 17640 1 32 . VAL . 17640 1 33 . SER . 17640 1 34 . ASP . 17640 1 35 . PRO . 17640 1 36 . ARG . 17640 1 37 . LEU . 17640 1 38 . ALA . 17640 1 39 . ASP . 17640 1 40 . ASN . 17640 1 41 . PRO . 17640 1 42 . LEU . 17640 1 43 . ILE . 17640 1 44 . ALA . 17640 1 45 . ILE . 17640 1 46 . ASN . 17640 1 47 . GLN . 17640 1 48 . ALA . 17640 1 49 . PHE . 17640 1 50 . THR . 17640 1 51 . ASP . 17640 1 52 . LEU . 17640 1 53 . THR . 17640 1 54 . GLY . 17640 1 55 . TYR . 17640 1 56 . SER . 17640 1 57 . GLU . 17640 1 58 . GLU . 17640 1 59 . GLU . 17640 1 60 . CYS . 17640 1 61 . VAL . 17640 1 62 . GLY . 17640 1 63 . ARG . 17640 1 64 . ASN . 17640 1 65 . CYS . 17640 1 66 . ARG . 17640 1 67 . PHE . 17640 1 68 . LEU . 17640 1 69 . ALA . 17640 1 70 . GLY . 17640 1 71 . SER . 17640 1 72 . GLY . 17640 1 73 . THR . 17640 1 74 . GLU . 17640 1 75 . PRO . 17640 1 76 . TRP . 17640 1 77 . LEU . 17640 1 78 . THR . 17640 1 79 . ASP . 17640 1 80 . LYS . 17640 1 81 . ILE . 17640 1 82 . ARG . 17640 1 83 . GLN . 17640 1 84 . GLY . 17640 1 85 . VAL . 17640 1 86 . ARG . 17640 1 87 . GLU . 17640 1 88 . HIS . 17640 1 89 . LYS . 17640 1 90 . PRO . 17640 1 91 . VAL . 17640 1 92 . LEU . 17640 1 93 . VAL . 17640 1 94 . GLU . 17640 1 95 . ILE . 17640 1 96 . LEU . 17640 1 97 . ASN . 17640 1 98 . TYR . 17640 1 99 . LYS . 17640 1 100 . LYS . 17640 1 101 . ASP . 17640 1 102 . GLY . 17640 1 103 . THR . 17640 1 104 . PRO . 17640 1 105 . PHE . 17640 1 106 . ARG . 17640 1 107 . ASN . 17640 1 108 . ALA . 17640 1 109 . VAL . 17640 1 110 . LEU . 17640 1 111 . VAL . 17640 1 112 . ALA . 17640 1 113 . PRO . 17640 1 114 . ILE . 17640 1 115 . TYR . 17640 1 116 . ASP . 17640 1 117 . ASP . 17640 1 118 . ASP . 17640 1 119 . ASP . 17640 1 120 . GLU . 17640 1 121 . LEU . 17640 1 122 . LEU . 17640 1 123 . TYR . 17640 1 124 . PHE . 17640 1 125 . LEU . 17640 1 126 . GLY . 17640 1 127 . SER . 17640 1 128 . GLN . 17640 1 129 . VAL . 17640 1 130 . GLU . 17640 1 131 . VAL . 17640 1 132 . ASP . 17640 1 133 . ASP . 17640 1 134 . ASP . 17640 1 135 . GLN . 17640 1 136 . PRO . 17640 1 137 . ASN . 17640 1 138 . MET . 17640 1 139 . GLY . 17640 1 140 . MET . 17640 1 141 . ALA . 17640 1 142 . ARG . 17640 1 143 . ARG . 17640 1 144 . GLU . 17640 1 145 . ARG . 17640 1 146 . ALA . 17640 1 147 . ALA . 17640 1 148 . GLU . 17640 1 149 . MET . 17640 1 150 . LEU . 17640 1 151 . LYS . 17640 1 152 . THR . 17640 1 153 . LEU . 17640 1 154 . SER . 17640 1 155 . PRO . 17640 1 156 . ARG . 17640 1 157 . GLN . 17640 1 158 . LEU . 17640 1 159 . GLU . 17640 1 160 . VAL . 17640 1 161 . THR . 17640 1 162 . THR . 17640 1 163 . LEU . 17640 1 164 . VAL . 17640 1 165 . ALA . 17640 1 166 . SER . 17640 1 167 . GLY . 17640 1 168 . LEU . 17640 1 169 . ARG . 17640 1 170 . ASN . 17640 1 171 . LYS . 17640 1 172 . GLU . 17640 1 173 . VAL . 17640 1 174 . ALA . 17640 1 175 . ALA . 17640 1 176 . ARG . 17640 1 177 . LEU . 17640 1 178 . GLY . 17640 1 179 . LEU . 17640 1 180 . SER . 17640 1 181 . GLU . 17640 1 182 . LYS . 17640 1 183 . THR . 17640 1 184 . VAL . 17640 1 185 . LYS . 17640 1 186 . MET . 17640 1 187 . HIS . 17640 1 188 . ARG . 17640 1 189 . GLY . 17640 1 190 . LEU . 17640 1 191 . VAL . 17640 1 192 . MET . 17640 1 193 . GLU . 17640 1 194 . LYS . 17640 1 195 . LEU . 17640 1 196 . ASN . 17640 1 197 . LEU . 17640 1 198 . LYS . 17640 1 199 . THR . 17640 1 200 . SER . 17640 1 201 . ALA . 17640 1 202 . ASP . 17640 1 203 . LEU . 17640 1 204 . VAL . 17640 1 205 . ARG . 17640 1 206 . ILE . 17640 1 207 . ALA . 17640 1 208 . VAL . 17640 1 209 . GLU . 17640 1 210 . ALA . 17640 1 211 . GLY . 17640 1 212 . ILE . 17640 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17640 1 . GLU 2 2 17640 1 . PHE 3 3 17640 1 . GLY 4 4 17640 1 . ALA 5 5 17640 1 . ASP 6 6 17640 1 . ASP 7 7 17640 1 . THR 8 8 17640 1 . ARG 9 9 17640 1 . VAL 10 10 17640 1 . GLU 11 11 17640 1 . VAL 12 12 17640 1 . GLN 13 13 17640 1 . PRO 14 14 17640 1 . PRO 15 15 17640 1 . ALA 16 16 17640 1 . GLN 17 17 17640 1 . TRP 18 18 17640 1 . VAL 19 19 17640 1 . LEU 20 20 17640 1 . ASP 21 21 17640 1 . LEU 22 22 17640 1 . ILE 23 23 17640 1 . GLU 24 24 17640 1 . ALA 25 25 17640 1 . SER 26 26 17640 1 . PRO 27 27 17640 1 . ILE 28 28 17640 1 . ALA 29 29 17640 1 . SER 30 30 17640 1 . VAL 31 31 17640 1 . VAL 32 32 17640 1 . SER 33 33 17640 1 . ASP 34 34 17640 1 . PRO 35 35 17640 1 . ARG 36 36 17640 1 . LEU 37 37 17640 1 . ALA 38 38 17640 1 . ASP 39 39 17640 1 . ASN 40 40 17640 1 . PRO 41 41 17640 1 . LEU 42 42 17640 1 . ILE 43 43 17640 1 . ALA 44 44 17640 1 . ILE 45 45 17640 1 . ASN 46 46 17640 1 . GLN 47 47 17640 1 . ALA 48 48 17640 1 . PHE 49 49 17640 1 . THR 50 50 17640 1 . ASP 51 51 17640 1 . LEU 52 52 17640 1 . THR 53 53 17640 1 . GLY 54 54 17640 1 . TYR 55 55 17640 1 . SER 56 56 17640 1 . GLU 57 57 17640 1 . GLU 58 58 17640 1 . GLU 59 59 17640 1 . CYS 60 60 17640 1 . VAL 61 61 17640 1 . GLY 62 62 17640 1 . ARG 63 63 17640 1 . ASN 64 64 17640 1 . CYS 65 65 17640 1 . ARG 66 66 17640 1 . PHE 67 67 17640 1 . LEU 68 68 17640 1 . ALA 69 69 17640 1 . GLY 70 70 17640 1 . SER 71 71 17640 1 . GLY 72 72 17640 1 . THR 73 73 17640 1 . GLU 74 74 17640 1 . PRO 75 75 17640 1 . TRP 76 76 17640 1 . LEU 77 77 17640 1 . THR 78 78 17640 1 . ASP 79 79 17640 1 . LYS 80 80 17640 1 . ILE 81 81 17640 1 . ARG 82 82 17640 1 . GLN 83 83 17640 1 . GLY 84 84 17640 1 . VAL 85 85 17640 1 . ARG 86 86 17640 1 . GLU 87 87 17640 1 . HIS 88 88 17640 1 . LYS 89 89 17640 1 . PRO 90 90 17640 1 . VAL 91 91 17640 1 . LEU 92 92 17640 1 . VAL 93 93 17640 1 . GLU 94 94 17640 1 . ILE 95 95 17640 1 . LEU 96 96 17640 1 . ASN 97 97 17640 1 . TYR 98 98 17640 1 . LYS 99 99 17640 1 . LYS 100 100 17640 1 . ASP 101 101 17640 1 . GLY 102 102 17640 1 . THR 103 103 17640 1 . PRO 104 104 17640 1 . PHE 105 105 17640 1 . ARG 106 106 17640 1 . ASN 107 107 17640 1 . ALA 108 108 17640 1 . VAL 109 109 17640 1 . LEU 110 110 17640 1 . VAL 111 111 17640 1 . ALA 112 112 17640 1 . PRO 113 113 17640 1 . ILE 114 114 17640 1 . TYR 115 115 17640 1 . ASP 116 116 17640 1 . ASP 117 117 17640 1 . ASP 118 118 17640 1 . ASP 119 119 17640 1 . GLU 120 120 17640 1 . LEU 121 121 17640 1 . LEU 122 122 17640 1 . TYR 123 123 17640 1 . PHE 124 124 17640 1 . LEU 125 125 17640 1 . GLY 126 126 17640 1 . SER 127 127 17640 1 . GLN 128 128 17640 1 . VAL 129 129 17640 1 . GLU 130 130 17640 1 . VAL 131 131 17640 1 . ASP 132 132 17640 1 . ASP 133 133 17640 1 . ASP 134 134 17640 1 . GLN 135 135 17640 1 . PRO 136 136 17640 1 . ASN 137 137 17640 1 . MET 138 138 17640 1 . GLY 139 139 17640 1 . MET 140 140 17640 1 . ALA 141 141 17640 1 . ARG 142 142 17640 1 . ARG 143 143 17640 1 . GLU 144 144 17640 1 . ARG 145 145 17640 1 . ALA 146 146 17640 1 . ALA 147 147 17640 1 . GLU 148 148 17640 1 . MET 149 149 17640 1 . LEU 150 150 17640 1 . LYS 151 151 17640 1 . THR 152 152 17640 1 . LEU 153 153 17640 1 . SER 154 154 17640 1 . PRO 155 155 17640 1 . ARG 156 156 17640 1 . GLN 157 157 17640 1 . LEU 158 158 17640 1 . GLU 159 159 17640 1 . VAL 160 160 17640 1 . THR 161 161 17640 1 . THR 162 162 17640 1 . LEU 163 163 17640 1 . VAL 164 164 17640 1 . ALA 165 165 17640 1 . SER 166 166 17640 1 . GLY 167 167 17640 1 . LEU 168 168 17640 1 . ARG 169 169 17640 1 . ASN 170 170 17640 1 . LYS 171 171 17640 1 . GLU 172 172 17640 1 . VAL 173 173 17640 1 . ALA 174 174 17640 1 . ALA 175 175 17640 1 . ARG 176 176 17640 1 . LEU 177 177 17640 1 . GLY 178 178 17640 1 . LEU 179 179 17640 1 . SER 180 180 17640 1 . GLU 181 181 17640 1 . LYS 182 182 17640 1 . THR 183 183 17640 1 . VAL 184 184 17640 1 . LYS 185 185 17640 1 . MET 186 186 17640 1 . HIS 187 187 17640 1 . ARG 188 188 17640 1 . GLY 189 189 17640 1 . LEU 190 190 17640 1 . VAL 191 191 17640 1 . MET 192 192 17640 1 . GLU 193 193 17640 1 . LYS 194 194 17640 1 . LEU 195 195 17640 1 . ASN 196 196 17640 1 . LEU 197 197 17640 1 . LYS 198 198 17640 1 . THR 199 199 17640 1 . SER 200 200 17640 1 . ALA 201 201 17640 1 . ASP 202 202 17640 1 . LEU 203 203 17640 1 . VAL 204 204 17640 1 . ARG 205 205 17640 1 . ILE 206 206 17640 1 . ALA 207 207 17640 1 . VAL 208 208 17640 1 . GLU 209 209 17640 1 . ALA 210 210 17640 1 . GLY 211 211 17640 1 . ILE 212 212 17640 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 17640 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . FMN . 17640 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17640 _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 $EL222(14-222) . 314225 organism . 'Erythrobacter litoralis' 'Erythrobacter litoralis' . . Bacteria . Erythrobacter litoralis HTCC2594 . . . . . . . . . . . . . . . . . . . . 17640 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 17640 _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 $EL222(14-222) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'His6-GB1 parallel' . . . . . . 17640 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 17640 _Chem_comp.ID FMN _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 16 11:37:39 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17640 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17640 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 17640 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 17640 FMN FVTCRASFADXXNN-DDLGOASUDN InChIKey InChI 1.02b 17640 FMN ; InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1/f/h20,27-28H ; InChI InChI 1.02b 17640 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 17640 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 17640 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17640 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 17640 FMN C2 . C2 . . C . . N 0 . . . . yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 17640 FMN O2 . O2 . . O . . N 0 . . . . no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 17640 FMN N3 . N3 . . N . . N 0 . . . . yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 17640 FMN C4 . C4 . . C . . N 0 . . . . yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 17640 FMN O4 . O4 . . O . . N 0 . . . . no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 17640 FMN C4A . C4A . . C . . N 0 . . . . yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 17640 FMN N5 . N5 . . N . . N 0 . . . . yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 17640 FMN C5A . C5A . . C . . N 0 . . . . yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 17640 FMN C6 . C6 . . C . . N 0 . . . . yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 17640 FMN C7 . C7 . . C . . N 0 . . . . yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 17640 FMN C7M . C7M . . C . . N 0 . . . . no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 17640 FMN C8 . C8 . . C . . N 0 . . . . yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 17640 FMN C8M . C8M . . C . . N 0 . . . . no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 17640 FMN C9 . C9 . . C . . N 0 . . . . yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 17640 FMN C9A . C9A . . C . . N 0 . . . . yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 17640 FMN N10 . N10 . . N . . N 0 . . . . yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 17640 FMN C10 . C10 . . C . . N 0 . . . . yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 17640 FMN C1' . C1' . . C . . N 0 . . . . no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 17640 FMN C2' . C2' . . C . . S 0 . . . . no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 17640 FMN O2' . O2' . . O . . N 0 . . . . no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 17640 FMN C3' . C3' . . C . . S 0 . . . . no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 17640 FMN O3' . O3' . . O . . N 0 . . . . no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 17640 FMN C4' . C4' . . C . . R 0 . . . . no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 17640 FMN O4' . O4' . . O . . N 0 . . . . no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 17640 FMN C5' . C5' . . C . . N 0 . . . . no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 17640 FMN O5' . O5' . . O . . N 0 . . . . no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 17640 FMN P . P . . P . . N 0 . . . . no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 17640 FMN O1P . O1P . . O . . N 0 . . . . no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 17640 FMN O2P . O2P . . O . . N 0 . . . . no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 17640 FMN O3P . O3P . . O . . N 0 . . . . no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 17640 FMN HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 17640 FMN H6 . H6 . . H . . N 0 . . . . no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 17640 FMN HM71 . HM71 . . H . . N 0 . . . . no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 17640 FMN HM72 . HM72 . . H . . N 0 . . . . no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 17640 FMN HM73 . HM73 . . H . . N 0 . . . . no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 17640 FMN HM81 . HM81 . . H . . N 0 . . . . no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 17640 FMN HM82 . HM82 . . H . . N 0 . . . . no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 17640 FMN HM83 . HM83 . . H . . N 0 . . . . no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 17640 FMN H9 . H9 . . H . . N 0 . . . . no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 17640 FMN H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 17640 FMN H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 17640 FMN H2' . H2' . . H . . N 0 . . . . no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 17640 FMN HO2' . HO2' . . H . . N 0 . . . . no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 17640 FMN H3' . H3' . . H . . N 0 . . . . no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 17640 FMN HO3' . HO3' . . H . . N 0 . . . . no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 17640 FMN H4' . H4' . . H . . N 0 . . . . no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 17640 FMN HO4' . HO4' . . H . . N 0 . . . . no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 17640 FMN H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 17640 FMN H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 17640 FMN HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 17640 FMN HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 17640 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 17640 FMN 2 . DOUB N1 C10 yes N 2 . 17640 FMN 3 . DOUB C2 O2 no N 3 . 17640 FMN 4 . SING C2 N3 yes N 4 . 17640 FMN 5 . SING N3 C4 yes N 5 . 17640 FMN 6 . SING N3 HN3 no N 6 . 17640 FMN 7 . DOUB C4 O4 no N 7 . 17640 FMN 8 . SING C4 C4A yes N 8 . 17640 FMN 9 . DOUB C4A N5 yes N 9 . 17640 FMN 10 . SING C4A C10 no N 10 . 17640 FMN 11 . SING N5 C5A yes N 11 . 17640 FMN 12 . DOUB C5A C6 yes N 12 . 17640 FMN 13 . SING C5A C9A yes N 13 . 17640 FMN 14 . SING C6 C7 yes N 14 . 17640 FMN 15 . SING C6 H6 no N 15 . 17640 FMN 16 . SING C7 C7M no N 16 . 17640 FMN 17 . DOUB C7 C8 yes N 17 . 17640 FMN 18 . SING C7M HM71 no N 18 . 17640 FMN 19 . SING C7M HM72 no N 19 . 17640 FMN 20 . SING C7M HM73 no N 20 . 17640 FMN 21 . SING C8 C8M no N 21 . 17640 FMN 22 . SING C8 C9 yes N 22 . 17640 FMN 23 . SING C8M HM81 no N 23 . 17640 FMN 24 . SING C8M HM82 no N 24 . 17640 FMN 25 . SING C8M HM83 no N 25 . 17640 FMN 26 . DOUB C9 C9A yes N 26 . 17640 FMN 27 . SING C9 H9 no N 27 . 17640 FMN 28 . SING C9A N10 yes N 28 . 17640 FMN 29 . SING N10 C10 yes N 29 . 17640 FMN 30 . SING N10 C1' no N 30 . 17640 FMN 31 . SING C1' C2' no N 31 . 17640 FMN 32 . SING C1' H1'1 no N 32 . 17640 FMN 33 . SING C1' H1'2 no N 33 . 17640 FMN 34 . SING C2' O2' no N 34 . 17640 FMN 35 . SING C2' C3' no N 35 . 17640 FMN 36 . SING C2' H2' no N 36 . 17640 FMN 37 . SING O2' HO2' no N 37 . 17640 FMN 38 . SING C3' O3' no N 38 . 17640 FMN 39 . SING C3' C4' no N 39 . 17640 FMN 40 . SING C3' H3' no N 40 . 17640 FMN 41 . SING O3' HO3' no N 41 . 17640 FMN 42 . SING C4' O4' no N 42 . 17640 FMN 43 . SING C4' C5' no N 43 . 17640 FMN 44 . SING C4' H4' no N 44 . 17640 FMN 45 . SING O4' HO4' no N 45 . 17640 FMN 46 . SING C5' O5' no N 46 . 17640 FMN 47 . SING C5' H5'1 no N 47 . 17640 FMN 48 . SING C5' H5'2 no N 48 . 17640 FMN 49 . SING O5' P no N 49 . 17640 FMN 50 . DOUB P O1P no N 50 . 17640 FMN 51 . SING P O2P no N 51 . 17640 FMN 52 . SING P O3P no N 52 . 17640 FMN 53 . SING O2P HOP2 no N 53 . 17640 FMN 54 . SING O3P HOP3 no N 54 . 17640 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17640 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EL222(14-222) '[U-100% 13C; U-100% 15N]' . . 1 $EL222(14-222) . . 0.1-1 . . mM . . . . 17640 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17640 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17640 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17640 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EL222(14-222) '[U-100% 13C; U-100% 15N]' . . 1 $EL222(14-222) . . 0.1-1 . . mM . . . . 17640 2 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17640 2 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17640 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 17640 _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' 0.15 . M 17640 1 pH 6 . pH 17640 1 pressure 1 . atm 17640 1 temperature 298 . K 17640 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17640 _Software.ID 1 _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' . . 17640 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17640 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17640 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17640 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17640 2 'peak picking' 17640 2 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 17640 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17640 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17640 _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 . 800 . . . 17640 1 2 spectrometer_2 Varian INOVA . 600 . . . 17640 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 17640 _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 . . . . . . . . . . . . . . . . . . . . . 17640 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 1 11 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17640 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 17640 _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 . . . . . . . . . 17640 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17640 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17640 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 17640 _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 2 '3D 1H-15N NOESY' . . . 17640 1 3 '3D 1H-13C NOESY aliphatic' . . . 17640 1 4 '3D 1H-13C NOESY aromatic' . . . 17640 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.1500 0.0000 . 1 . . . . 1 GLY CA . 17640 1 2 . 1 1 2 2 GLU H H 1 8.6550 0.0000 . 1 . . . . 2 GLU HN . 17640 1 3 . 1 1 2 2 GLU CA C 13 56.2440 0.0000 . 1 . . . . 2 GLU CA . 17640 1 4 . 1 1 2 2 GLU CB C 13 29.5220 0.0000 . 1 . . . . 2 GLU CB . 17640 1 5 . 1 1 2 2 GLU N N 15 120.5910 0.0000 . 1 . . . . 2 GLU N . 17640 1 6 . 1 1 3 3 PHE H H 1 8.5220 0.0000 . 1 . . . . 3 PHE HN . 17640 1 7 . 1 1 3 3 PHE HA H 1 4.6040 0.0000 . 1 . . . . 3 PHE HA . 17640 1 8 . 1 1 3 3 PHE HB2 H 1 3.1730 0.0000 . 2 . . . . 3 PHE HB1 . 17640 1 9 . 1 1 3 3 PHE HB3 H 1 2.9670 0.0000 . 2 . . . . 3 PHE HB2 . 17640 1 10 . 1 1 3 3 PHE CA C 13 57.5000 0.0000 . 1 . . . . 3 PHE CA . 17640 1 11 . 1 1 3 3 PHE CB C 13 38.5120 0.0000 . 1 . . . . 3 PHE CB . 17640 1 12 . 1 1 3 3 PHE N N 15 120.5830 0.0000 . 1 . . . . 3 PHE N . 17640 1 13 . 1 1 4 4 GLY H H 1 8.3570 0.0000 . 1 . . . . 4 GLY HN . 17640 1 14 . 1 1 4 4 GLY HA2 H 1 3.9270 0.0000 . 2 . . . . 4 GLY HA1 . 17640 1 15 . 1 1 4 4 GLY HA3 H 1 3.8710 0.0000 . 2 . . . . 4 GLY HA2 . 17640 1 16 . 1 1 4 4 GLY CA C 13 44.6860 0.0000 . 1 . . . . 4 GLY CA . 17640 1 17 . 1 1 4 4 GLY N N 15 110.8350 0.0000 . 1 . . . . 4 GLY N . 17640 1 18 . 1 1 5 5 ALA H H 1 8.1520 0.0000 . 1 . . . . 5 ALA HN . 17640 1 19 . 1 1 5 5 ALA HA H 1 4.2650 0.0000 . 1 . . . . 5 ALA HA . 17640 1 20 . 1 1 5 5 ALA HB1 H 1 1.3500 0.0000 . 1 . . . . 5 ALA HB1 . 17640 1 21 . 1 1 5 5 ALA HB2 H 1 1.3500 0.0000 . 1 . . . . 5 ALA HB1 . 17640 1 22 . 1 1 5 5 ALA HB3 H 1 1.3500 0.0000 . 1 . . . . 5 ALA HB1 . 17640 1 23 . 1 1 5 5 ALA CA C 13 52.2550 0.0000 . 1 . . . . 5 ALA CA . 17640 1 24 . 1 1 5 5 ALA CB C 13 18.5450 0.0000 . 1 . . . . 5 ALA CB . 17640 1 25 . 1 1 5 5 ALA N N 15 123.6520 0.0000 . 1 . . . . 5 ALA N . 17640 1 26 . 1 1 6 6 ASP H H 1 8.3630 0.0000 . 1 . . . . 6 ASP HN . 17640 1 27 . 1 1 6 6 ASP HA H 1 4.5720 0.0000 . 1 . . . . 6 ASP HA . 17640 1 28 . 1 1 6 6 ASP HB2 H 1 2.6930 0.0000 . 2 . . . . 6 ASP HB1 . 17640 1 29 . 1 1 6 6 ASP HB3 H 1 2.5820 0.0000 . 2 . . . . 6 ASP HB2 . 17640 1 30 . 1 1 6 6 ASP CA C 13 53.9380 0.0000 . 1 . . . . 6 ASP CA . 17640 1 31 . 1 1 6 6 ASP CB C 13 40.4650 0.0000 . 1 . . . . 6 ASP CB . 17640 1 32 . 1 1 6 6 ASP N N 15 118.8260 0.0000 . 1 . . . . 6 ASP N . 17640 1 33 . 1 1 7 7 ASP H H 1 8.2080 0.0000 . 1 . . . . 7 ASP HN . 17640 1 34 . 1 1 7 7 ASP HA H 1 4.6200 0.0000 . 1 . . . . 7 ASP HA . 17640 1 35 . 1 1 7 7 ASP HB2 H 1 2.6900 0.0000 . 2 . . . . 7 ASP HB1 . 17640 1 36 . 1 1 7 7 ASP HB3 H 1 2.6300 0.0000 . 2 . . . . 7 ASP HB2 . 17640 1 37 . 1 1 7 7 ASP CA C 13 54.0050 0.0000 . 1 . . . . 7 ASP CA . 17640 1 38 . 1 1 7 7 ASP CB C 13 40.4170 0.0000 . 1 . . . . 7 ASP CB . 17640 1 39 . 1 1 7 7 ASP N N 15 120.7940 0.0000 . 1 . . . . 7 ASP N . 17640 1 40 . 1 1 8 8 THR H H 1 8.1430 0.0000 . 1 . . . . 8 THR HN . 17640 1 41 . 1 1 8 8 THR HA H 1 4.2400 0.0000 . 1 . . . . 8 THR HA . 17640 1 42 . 1 1 8 8 THR HB H 1 4.1900 0.0000 . 1 . . . . 8 THR HB . 17640 1 43 . 1 1 8 8 THR HG21 H 1 1.1700 0.0000 . 1 . . . . 8 THR HG21 . 17640 1 44 . 1 1 8 8 THR HG22 H 1 1.1700 0.0000 . 1 . . . . 8 THR HG21 . 17640 1 45 . 1 1 8 8 THR HG23 H 1 1.1700 0.0000 . 1 . . . . 8 THR HG21 . 17640 1 46 . 1 1 8 8 THR CA C 13 61.9270 0.0000 . 1 . . . . 8 THR CA . 17640 1 47 . 1 1 8 8 THR CB C 13 69.1830 0.0000 . 1 . . . . 8 THR CB . 17640 1 48 . 1 1 8 8 THR CG2 C 13 21.6000 0.0000 . 1 . . . . 8 THR CG2 . 17640 1 49 . 1 1 8 8 THR N N 15 114.4950 0.0000 . 1 . . . . 8 THR N . 17640 1 50 . 1 1 9 9 ARG H H 1 8.1540 0.0000 . 1 . . . . 9 ARG HN . 17640 1 51 . 1 1 9 9 ARG HA H 1 4.4040 0.0000 . 1 . . . . 9 ARG HA . 17640 1 52 . 1 1 9 9 ARG HB2 H 1 1.7320 0.0000 . 2 . . . . 9 ARG HB1 . 17640 1 53 . 1 1 9 9 ARG HB3 H 1 1.6710 0.0000 . 2 . . . . 9 ARG HB2 . 17640 1 54 . 1 1 9 9 ARG HG2 H 1 1.5000 0.0000 . 2 . . . . 9 ARG HG1 . 17640 1 55 . 1 1 9 9 ARG HD2 H 1 3.1050 0.0000 . 2 . . . . 9 ARG HD1 . 17640 1 56 . 1 1 9 9 ARG CA C 13 55.3210 0.0000 . 1 . . . . 9 ARG CA . 17640 1 57 . 1 1 9 9 ARG CB C 13 30.4390 0.0000 . 1 . . . . 9 ARG CB . 17640 1 58 . 1 1 9 9 ARG CG C 13 26.9000 0.0000 . 1 . . . . 9 ARG CG . 17640 1 59 . 1 1 9 9 ARG CD C 13 43.5350 0.0000 . 1 . . . . 9 ARG CD . 17640 1 60 . 1 1 9 9 ARG N N 15 123.7050 0.0000 . 1 . . . . 9 ARG N . 17640 1 61 . 1 1 10 10 VAL H H 1 8.3820 0.0000 . 1 . . . . 10 VAL HN . 17640 1 62 . 1 1 10 10 VAL HA H 1 4.1830 0.0000 . 1 . . . . 10 VAL HA . 17640 1 63 . 1 1 10 10 VAL HB H 1 2.0300 0.0000 . 1 . . . . 10 VAL HB . 17640 1 64 . 1 1 10 10 VAL HG11 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG11 . 17640 1 65 . 1 1 10 10 VAL HG12 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG11 . 17640 1 66 . 1 1 10 10 VAL HG13 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG11 . 17640 1 67 . 1 1 10 10 VAL HG21 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG21 . 17640 1 68 . 1 1 10 10 VAL HG22 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG21 . 17640 1 69 . 1 1 10 10 VAL HG23 H 1 0.9450 0.0000 . 2 . . . . 10 VAL HG21 . 17640 1 70 . 1 1 10 10 VAL CA C 13 61.1690 0.0000 . 1 . . . . 10 VAL CA . 17640 1 71 . 1 1 10 10 VAL CB C 13 32.8120 0.0000 . 1 . . . . 10 VAL CB . 17640 1 72 . 1 1 10 10 VAL CG1 C 13 21.4040 0.0000 . 2 . . . . 10 VAL CG1 . 17640 1 73 . 1 1 10 10 VAL CG2 C 13 20.5500 0.0000 . 2 . . . . 10 VAL CG2 . 17640 1 74 . 1 1 10 10 VAL N N 15 122.2770 0.0000 . 1 . . . . 10 VAL N . 17640 1 75 . 1 1 11 11 GLU H H 1 8.4220 0.0000 . 1 . . . . 11 GLU HN . 17640 1 76 . 1 1 11 11 GLU HA H 1 4.2750 0.0000 . 1 . . . . 11 GLU HA . 17640 1 77 . 1 1 11 11 GLU HB2 H 1 1.9580 0.0000 . 2 . . . . 11 GLU HB1 . 17640 1 78 . 1 1 11 11 GLU HB3 H 1 1.8870 0.0000 . 2 . . . . 11 GLU HB2 . 17640 1 79 . 1 1 11 11 GLU HG2 H 1 2.2410 0.0000 . 2 . . . . 11 GLU HG1 . 17640 1 80 . 1 1 11 11 GLU HG3 H 1 2.1380 0.0000 . 2 . . . . 11 GLU HG2 . 17640 1 81 . 1 1 11 11 GLU CA C 13 55.9150 0.0000 . 1 . . . . 11 GLU CA . 17640 1 82 . 1 1 11 11 GLU CB C 13 29.2940 0.0000 . 1 . . . . 11 GLU CB . 17640 1 83 . 1 1 11 11 GLU CG C 13 36.2200 0.0000 . 1 . . . . 11 GLU CG . 17640 1 84 . 1 1 11 11 GLU N N 15 124.7000 0.0000 . 1 . . . . 11 GLU N . 17640 1 85 . 1 1 12 12 VAL H H 1 8.2150 0.0000 . 1 . . . . 12 VAL HN . 17640 1 86 . 1 1 12 12 VAL HA H 1 4.2230 0.0000 . 1 . . . . 12 VAL HA . 17640 1 87 . 1 1 12 12 VAL HB H 1 2.0100 0.0000 . 1 . . . . 12 VAL HB . 17640 1 88 . 1 1 12 12 VAL HG11 H 1 0.9010 0.0000 . 2 . . . . 12 VAL HG11 . 17640 1 89 . 1 1 12 12 VAL HG12 H 1 0.9010 0.0000 . 2 . . . . 12 VAL HG11 . 17640 1 90 . 1 1 12 12 VAL HG13 H 1 0.9010 0.0000 . 2 . . . . 12 VAL HG11 . 17640 1 91 . 1 1 12 12 VAL HG21 H 1 0.8450 0.0000 . 2 . . . . 12 VAL HG21 . 17640 1 92 . 1 1 12 12 VAL HG22 H 1 0.8450 0.0000 . 2 . . . . 12 VAL HG21 . 17640 1 93 . 1 1 12 12 VAL HG23 H 1 0.8450 0.0000 . 2 . . . . 12 VAL HG21 . 17640 1 94 . 1 1 12 12 VAL CA C 13 60.8290 0.0000 . 1 . . . . 12 VAL CA . 17640 1 95 . 1 1 12 12 VAL CB C 13 33.0090 0.0000 . 1 . . . . 12 VAL CB . 17640 1 96 . 1 1 12 12 VAL CG1 C 13 21.6400 0.0000 . 2 . . . . 12 VAL CG1 . 17640 1 97 . 1 1 12 12 VAL CG2 C 13 20.3600 0.0000 . 2 . . . . 12 VAL CG2 . 17640 1 98 . 1 1 12 12 VAL N N 15 122.0500 0.0000 . 1 . . . . 12 VAL N . 17640 1 99 . 1 1 13 13 GLN H H 1 8.5630 0.0000 . 1 . . . . 13 GLN HN . 17640 1 100 . 1 1 13 13 GLN HA H 1 4.5480 0.0000 . 1 . . . . 13 GLN HA . 17640 1 101 . 1 1 13 13 GLN HB2 H 1 2.1090 0.0000 . 2 . . . . 13 GLN HB1 . 17640 1 102 . 1 1 13 13 GLN HB3 H 1 1.9100 0.0000 . 2 . . . . 13 GLN HB2 . 17640 1 103 . 1 1 13 13 GLN HG2 H 1 2.4300 0.0000 . 2 . . . . 13 GLN HG1 . 17640 1 104 . 1 1 13 13 GLN HE21 H 1 7.5670 0.0000 . 2 . . . . 13 GLN HE21 . 17640 1 105 . 1 1 13 13 GLN HE22 H 1 6.8680 0.0000 . 2 . . . . 13 GLN HE22 . 17640 1 106 . 1 1 13 13 GLN CA C 13 53.2160 0.0000 . 1 . . . . 13 GLN CA . 17640 1 107 . 1 1 13 13 GLN CB C 13 27.5770 0.0000 . 1 . . . . 13 GLN CB . 17640 1 108 . 1 1 13 13 GLN CG C 13 33.5000 0.0000 . 1 . . . . 13 GLN CG . 17640 1 109 . 1 1 13 13 GLN N N 15 125.5510 0.0000 . 1 . . . . 13 GLN N . 17640 1 110 . 1 1 13 13 GLN NE2 N 15 112.9900 0.0000 . 1 . . . . 13 GLN NE2 . 17640 1 111 . 1 1 15 15 PRO CA C 13 60.6590 0.0000 . 1 . . . . 15 PRO CA . 17640 1 112 . 1 1 15 15 PRO CB C 13 37.8950 0.0000 . 1 . . . . 15 PRO CB . 17640 1 113 . 1 1 16 16 ALA H H 1 8.3060 0.0000 . 1 . . . . 16 ALA HN . 17640 1 114 . 1 1 16 16 ALA CA C 13 52.0370 0.0000 . 1 . . . . 16 ALA CA . 17640 1 115 . 1 1 16 16 ALA N N 15 127.8490 0.0000 . 1 . . . . 16 ALA N . 17640 1 116 . 1 1 17 17 GLN H H 1 8.2030 0.0000 . 1 . . . . 17 GLN HN . 17640 1 117 . 1 1 17 17 GLN CA C 13 55.4010 0.0000 . 1 . . . . 17 GLN CA . 17640 1 118 . 1 1 17 17 GLN CB C 13 28.7410 0.0000 . 1 . . . . 17 GLN CB . 17640 1 119 . 1 1 17 17 GLN N N 15 118.8590 0.0000 . 1 . . . . 17 GLN N . 17640 1 120 . 1 1 18 18 TRP H H 1 8.0340 0.0000 . 1 . . . . 18 TRP HN . 17640 1 121 . 1 1 18 18 TRP CA C 13 56.5610 0.0000 . 1 . . . . 18 TRP CA . 17640 1 122 . 1 1 18 18 TRP CB C 13 28.8760 0.0000 . 1 . . . . 18 TRP CB . 17640 1 123 . 1 1 18 18 TRP N N 15 121.5620 0.0000 . 1 . . . . 18 TRP N . 17640 1 124 . 1 1 19 19 VAL H H 1 7.9110 0.0000 . 1 . . . . 19 VAL HN . 17640 1 125 . 1 1 19 19 VAL CA C 13 64.9970 0.0000 . 1 . . . . 19 VAL CA . 17640 1 126 . 1 1 19 19 VAL CG1 C 13 21.1580 0.0000 . 2 . . . . 19 VAL CG1 . 17640 1 127 . 1 1 19 19 VAL N N 15 122.1000 0.0000 . 1 . . . . 19 VAL N . 17640 1 128 . 1 1 20 20 LEU H H 1 6.7130 0.0000 . 1 . . . . 20 LEU HN . 17640 1 129 . 1 1 20 20 LEU HA H 1 3.7710 0.0000 . 1 . . . . 20 LEU HA . 17640 1 130 . 1 1 20 20 LEU HB2 H 1 1.7980 0.0000 . 2 . . . . 20 LEU HB1 . 17640 1 131 . 1 1 20 20 LEU HB3 H 1 1.4460 0.0000 . 2 . . . . 20 LEU HB2 . 17640 1 132 . 1 1 20 20 LEU HG H 1 1.4170 0.0000 . 1 . . . . 20 LEU HG . 17640 1 133 . 1 1 20 20 LEU HD11 H 1 0.8100 0.0000 . 2 . . . . 20 LEU HD11 . 17640 1 134 . 1 1 20 20 LEU HD12 H 1 0.8100 0.0000 . 2 . . . . 20 LEU HD11 . 17640 1 135 . 1 1 20 20 LEU HD13 H 1 0.8100 0.0000 . 2 . . . . 20 LEU HD11 . 17640 1 136 . 1 1 20 20 LEU HD21 H 1 0.7330 0.0000 . 2 . . . . 20 LEU HD21 . 17640 1 137 . 1 1 20 20 LEU HD22 H 1 0.7330 0.0000 . 2 . . . . 20 LEU HD21 . 17640 1 138 . 1 1 20 20 LEU HD23 H 1 0.7330 0.0000 . 2 . . . . 20 LEU HD21 . 17640 1 139 . 1 1 20 20 LEU CA C 13 57.0140 0.0000 . 1 . . . . 20 LEU CA . 17640 1 140 . 1 1 20 20 LEU CB C 13 40.6370 0.0000 . 1 . . . . 20 LEU CB . 17640 1 141 . 1 1 20 20 LEU CG C 13 26.8390 0.0000 . 1 . . . . 20 LEU CG . 17640 1 142 . 1 1 20 20 LEU CD1 C 13 25.3240 0.0000 . 2 . . . . 20 LEU CD1 . 17640 1 143 . 1 1 20 20 LEU CD2 C 13 22.6060 0.0000 . 2 . . . . 20 LEU CD2 . 17640 1 144 . 1 1 20 20 LEU N N 15 117.8830 0.0000 . 1 . . . . 20 LEU N . 17640 1 145 . 1 1 21 21 ASP H H 1 8.6810 0.0000 . 1 . . . . 21 ASP HN . 17640 1 146 . 1 1 21 21 ASP HA H 1 4.2610 0.0000 . 1 . . . . 21 ASP HA . 17640 1 147 . 1 1 21 21 ASP HB2 H 1 2.6550 0.0000 . 2 . . . . 21 ASP HB1 . 17640 1 148 . 1 1 21 21 ASP CA C 13 56.4510 0.0000 . 1 . . . . 21 ASP CA . 17640 1 149 . 1 1 21 21 ASP CB C 13 39.6980 0.0000 . 1 . . . . 21 ASP CB . 17640 1 150 . 1 1 21 21 ASP N N 15 118.1980 0.0000 . 1 . . . . 21 ASP N . 17640 1 151 . 1 1 22 22 LEU H H 1 7.4420 0.0000 . 1 . . . . 22 LEU HN . 17640 1 152 . 1 1 22 22 LEU CA C 13 57.4590 0.0000 . 1 . . . . 22 LEU CA . 17640 1 153 . 1 1 22 22 LEU CB C 13 41.7170 0.0000 . 1 . . . . 22 LEU CB . 17640 1 154 . 1 1 22 22 LEU N N 15 119.9720 0.0000 . 1 . . . . 22 LEU N . 17640 1 155 . 1 1 23 23 ILE H H 1 6.9500 0.0000 . 1 . . . . 23 ILE HN . 17640 1 156 . 1 1 23 23 ILE HA H 1 4.6510 0.0000 . 1 . . . . 23 ILE HA . 17640 1 157 . 1 1 23 23 ILE HB H 1 1.8610 0.0000 . 1 . . . . 23 ILE HB . 17640 1 158 . 1 1 23 23 ILE HG12 H 1 1.3420 0.0000 . 2 . . . . 23 ILE HG11 . 17640 1 159 . 1 1 23 23 ILE HG13 H 1 1.1420 0.0000 . 2 . . . . 23 ILE HG12 . 17640 1 160 . 1 1 23 23 ILE HG21 H 1 1.0870 0.0000 . 1 . . . . 23 ILE HG21 . 17640 1 161 . 1 1 23 23 ILE HG22 H 1 1.0870 0.0000 . 1 . . . . 23 ILE HG21 . 17640 1 162 . 1 1 23 23 ILE HG23 H 1 1.0870 0.0000 . 1 . . . . 23 ILE HG21 . 17640 1 163 . 1 1 23 23 ILE HD11 H 1 0.4460 0.0000 . 1 . . . . 23 ILE HD11 . 17640 1 164 . 1 1 23 23 ILE HD12 H 1 0.4460 0.0000 . 1 . . . . 23 ILE HD11 . 17640 1 165 . 1 1 23 23 ILE HD13 H 1 0.4460 0.0000 . 1 . . . . 23 ILE HD11 . 17640 1 166 . 1 1 23 23 ILE CA C 13 61.6700 0.0000 . 1 . . . . 23 ILE CA . 17640 1 167 . 1 1 23 23 ILE CB C 13 40.9180 0.0000 . 1 . . . . 23 ILE CB . 17640 1 168 . 1 1 23 23 ILE CG1 C 13 24.4850 0.0000 . 1 . . . . 23 ILE CG1 . 17640 1 169 . 1 1 23 23 ILE CG2 C 13 22.6520 0.0000 . 1 . . . . 23 ILE CG2 . 17640 1 170 . 1 1 23 23 ILE CD1 C 13 13.6200 0.0000 . 1 . . . . 23 ILE CD1 . 17640 1 171 . 1 1 23 23 ILE N N 15 102.3000 0.0000 . 1 . . . . 23 ILE N . 17640 1 172 . 1 1 24 24 GLU H H 1 9.0700 0.0000 . 1 . . . . 24 GLU HN . 17640 1 173 . 1 1 24 24 GLU HA H 1 4.1250 0.0000 . 1 . . . . 24 GLU HA . 17640 1 174 . 1 1 24 24 GLU HB2 H 1 2.1880 0.0000 . 2 . . . . 24 GLU HB1 . 17640 1 175 . 1 1 24 24 GLU HB3 H 1 2.0530 0.0000 . 2 . . . . 24 GLU HB2 . 17640 1 176 . 1 1 24 24 GLU HG2 H 1 2.4450 0.0000 . 2 . . . . 24 GLU HG1 . 17640 1 177 . 1 1 24 24 GLU HG3 H 1 2.3030 0.0000 . 2 . . . . 24 GLU HG2 . 17640 1 178 . 1 1 24 24 GLU CA C 13 59.9550 0.0000 . 1 . . . . 24 GLU CA . 17640 1 179 . 1 1 24 24 GLU CB C 13 28.3440 0.0000 . 1 . . . . 24 GLU CB . 17640 1 180 . 1 1 24 24 GLU CG C 13 36.4660 0.0000 . 1 . . . . 24 GLU CG . 17640 1 181 . 1 1 24 24 GLU N N 15 124.9700 0.0000 . 1 . . . . 24 GLU N . 17640 1 182 . 1 1 25 25 ALA H H 1 7.9850 0.0000 . 1 . . . . 25 ALA HN . 17640 1 183 . 1 1 25 25 ALA HA H 1 4.3860 0.0000 . 1 . . . . 25 ALA HA . 17640 1 184 . 1 1 25 25 ALA HB1 H 1 1.3380 0.0000 . 1 . . . . 25 ALA HB1 . 17640 1 185 . 1 1 25 25 ALA HB2 H 1 1.3380 0.0000 . 1 . . . . 25 ALA HB1 . 17640 1 186 . 1 1 25 25 ALA HB3 H 1 1.3380 0.0000 . 1 . . . . 25 ALA HB1 . 17640 1 187 . 1 1 25 25 ALA CA C 13 51.1710 0.0000 . 1 . . . . 25 ALA CA . 17640 1 188 . 1 1 25 25 ALA CB C 13 18.4540 0.0000 . 1 . . . . 25 ALA CB . 17640 1 189 . 1 1 25 25 ALA N N 15 116.5660 0.0000 . 1 . . . . 25 ALA N . 17640 1 190 . 1 1 26 26 SER H H 1 7.1500 0.0000 . 1 . . . . 26 SER HN . 17640 1 191 . 1 1 26 26 SER CA C 13 55.0660 0.0000 . 1 . . . . 26 SER CA . 17640 1 192 . 1 1 26 26 SER CB C 13 63.0700 0.0000 . 1 . . . . 26 SER CB . 17640 1 193 . 1 1 26 26 SER N N 15 113.6980 0.0000 . 1 . . . . 26 SER N . 17640 1 194 . 1 1 27 27 PRO CA C 13 62.5880 0.0000 . 1 . . . . 27 PRO CA . 17640 1 195 . 1 1 27 27 PRO CB C 13 29.3230 0.0000 . 1 . . . . 27 PRO CB . 17640 1 196 . 1 1 28 28 ILE H H 1 8.1870 0.0000 . 1 . . . . 28 ILE HN . 17640 1 197 . 1 1 28 28 ILE HA H 1 4.3040 0.0000 . 1 . . . . 28 ILE HA . 17640 1 198 . 1 1 28 28 ILE HB H 1 1.8250 0.0000 . 1 . . . . 28 ILE HB . 17640 1 199 . 1 1 28 28 ILE HG12 H 1 1.6530 0.0000 . 2 . . . . 28 ILE HG11 . 17640 1 200 . 1 1 28 28 ILE HG13 H 1 1.3750 0.0000 . 2 . . . . 28 ILE HG12 . 17640 1 201 . 1 1 28 28 ILE HG21 H 1 0.8890 0.0000 . 1 . . . . 28 ILE HG21 . 17640 1 202 . 1 1 28 28 ILE HG22 H 1 0.8890 0.0000 . 1 . . . . 28 ILE HG21 . 17640 1 203 . 1 1 28 28 ILE HG23 H 1 0.8890 0.0000 . 1 . . . . 28 ILE HG21 . 17640 1 204 . 1 1 28 28 ILE HD11 H 1 0.7230 0.0000 . 1 . . . . 28 ILE HD11 . 17640 1 205 . 1 1 28 28 ILE HD12 H 1 0.7230 0.0000 . 1 . . . . 28 ILE HD11 . 17640 1 206 . 1 1 28 28 ILE HD13 H 1 0.7230 0.0000 . 1 . . . . 28 ILE HD11 . 17640 1 207 . 1 1 28 28 ILE CA C 13 59.2640 0.0000 . 1 . . . . 28 ILE CA . 17640 1 208 . 1 1 28 28 ILE CB C 13 38.3790 0.0000 . 1 . . . . 28 ILE CB . 17640 1 209 . 1 1 28 28 ILE CG1 C 13 27.8540 0.0000 . 1 . . . . 28 ILE CG1 . 17640 1 210 . 1 1 28 28 ILE CG2 C 13 14.3180 0.0000 . 1 . . . . 28 ILE CG2 . 17640 1 211 . 1 1 28 28 ILE CD1 C 13 13.4400 0.0000 . 1 . . . . 28 ILE CD1 . 17640 1 212 . 1 1 28 28 ILE N N 15 120.2480 0.0000 . 1 . . . . 28 ILE N . 17640 1 213 . 1 1 29 29 ALA H H 1 8.7760 0.0000 . 1 . . . . 29 ALA HN . 17640 1 214 . 1 1 29 29 ALA HA H 1 4.3650 0.0000 . 1 . . . . 29 ALA HA . 17640 1 215 . 1 1 29 29 ALA HB1 H 1 1.8710 0.0000 . 1 . . . . 29 ALA HB1 . 17640 1 216 . 1 1 29 29 ALA HB2 H 1 1.8710 0.0000 . 1 . . . . 29 ALA HB1 . 17640 1 217 . 1 1 29 29 ALA HB3 H 1 1.8710 0.0000 . 1 . . . . 29 ALA HB1 . 17640 1 218 . 1 1 29 29 ALA CA C 13 53.6970 0.0000 . 1 . . . . 29 ALA CA . 17640 1 219 . 1 1 29 29 ALA CB C 13 18.4900 0.0000 . 1 . . . . 29 ALA CB . 17640 1 220 . 1 1 29 29 ALA N N 15 132.4920 0.0000 . 1 . . . . 29 ALA N . 17640 1 221 . 1 1 30 30 SER H H 1 8.3660 0.0000 . 1 . . . . 30 SER HN . 17640 1 222 . 1 1 30 30 SER HA H 1 4.3800 0.0000 . 1 . . . . 30 SER HA . 17640 1 223 . 1 1 30 30 SER CA C 13 53.6860 0.0000 . 1 . . . . 30 SER CA . 17640 1 224 . 1 1 30 30 SER CB C 13 67.2740 0.0000 . 1 . . . . 30 SER CB . 17640 1 225 . 1 1 30 30 SER N N 15 116.8470 0.0000 . 1 . . . . 30 SER N . 17640 1 226 . 1 1 31 31 VAL H H 1 7.4640 0.0000 . 1 . . . . 31 VAL HN . 17640 1 227 . 1 1 31 31 VAL HA H 1 5.0070 0.0000 . 1 . . . . 31 VAL HA . 17640 1 228 . 1 1 31 31 VAL HB H 1 2.0810 0.0000 . 1 . . . . 31 VAL HB . 17640 1 229 . 1 1 31 31 VAL HG11 H 1 0.4060 0.0000 . 2 . . . . 31 VAL HG11 . 17640 1 230 . 1 1 31 31 VAL HG12 H 1 0.4060 0.0000 . 2 . . . . 31 VAL HG11 . 17640 1 231 . 1 1 31 31 VAL HG13 H 1 0.4060 0.0000 . 2 . . . . 31 VAL HG11 . 17640 1 232 . 1 1 31 31 VAL HG21 H 1 0.2150 0.0000 . 2 . . . . 31 VAL HG21 . 17640 1 233 . 1 1 31 31 VAL HG22 H 1 0.2150 0.0000 . 2 . . . . 31 VAL HG21 . 17640 1 234 . 1 1 31 31 VAL HG23 H 1 0.2150 0.0000 . 2 . . . . 31 VAL HG21 . 17640 1 235 . 1 1 31 31 VAL CA C 13 57.6810 0.0000 . 1 . . . . 31 VAL CA . 17640 1 236 . 1 1 31 31 VAL CB C 13 35.2160 0.0000 . 1 . . . . 31 VAL CB . 17640 1 237 . 1 1 31 31 VAL CG1 C 13 22.6550 0.0000 . 2 . . . . 31 VAL CG1 . 17640 1 238 . 1 1 31 31 VAL CG2 C 13 20.1540 0.0000 . 2 . . . . 31 VAL CG2 . 17640 1 239 . 1 1 31 31 VAL N N 15 121.2190 0.0000 . 1 . . . . 31 VAL N . 17640 1 240 . 1 1 32 32 VAL H H 1 8.0740 0.0000 . 1 . . . . 32 VAL HN . 17640 1 241 . 1 1 32 32 VAL HA H 1 5.5230 0.0000 . 1 . . . . 32 VAL HA . 17640 1 242 . 1 1 32 32 VAL HB H 1 1.4380 0.0000 . 1 . . . . 32 VAL HB . 17640 1 243 . 1 1 32 32 VAL HG11 H 1 0.8670 0.0000 . 2 . . . . 32 VAL HG11 . 17640 1 244 . 1 1 32 32 VAL HG12 H 1 0.8670 0.0000 . 2 . . . . 32 VAL HG11 . 17640 1 245 . 1 1 32 32 VAL HG13 H 1 0.8670 0.0000 . 2 . . . . 32 VAL HG11 . 17640 1 246 . 1 1 32 32 VAL HG21 H 1 0.8030 0.0000 . 2 . . . . 32 VAL HG21 . 17640 1 247 . 1 1 32 32 VAL HG22 H 1 0.8030 0.0000 . 2 . . . . 32 VAL HG21 . 17640 1 248 . 1 1 32 32 VAL HG23 H 1 0.8030 0.0000 . 2 . . . . 32 VAL HG21 . 17640 1 249 . 1 1 32 32 VAL CA C 13 59.9640 0.0000 . 1 . . . . 32 VAL CA . 17640 1 250 . 1 1 32 32 VAL CB C 13 35.9630 0.0000 . 1 . . . . 32 VAL CB . 17640 1 251 . 1 1 32 32 VAL CG1 C 13 23.0800 0.0000 . 2 . . . . 32 VAL CG1 . 17640 1 252 . 1 1 32 32 VAL CG2 C 13 21.8700 0.0000 . 2 . . . . 32 VAL CG2 . 17640 1 253 . 1 1 32 32 VAL N N 15 117.9610 0.0000 . 1 . . . . 32 VAL N . 17640 1 254 . 1 1 33 33 SER H H 1 10.1160 0.0000 . 1 . . . . 33 SER HN . 17640 1 255 . 1 1 33 33 SER HA H 1 5.4340 0.0000 . 1 . . . . 33 SER HA . 17640 1 256 . 1 1 33 33 SER CA C 13 57.3120 0.0000 . 1 . . . . 33 SER CA . 17640 1 257 . 1 1 33 33 SER CB C 13 67.0490 0.0000 . 1 . . . . 33 SER CB . 17640 1 258 . 1 1 33 33 SER N N 15 125.2210 0.0000 . 1 . . . . 33 SER N . 17640 1 259 . 1 1 34 34 ASP H H 1 7.5530 0.0000 . 1 . . . . 34 ASP HN . 17640 1 260 . 1 1 34 34 ASP HA H 1 5.5250 0.0000 . 1 . . . . 34 ASP HA . 17640 1 261 . 1 1 34 34 ASP CA C 13 48.9660 0.0000 . 1 . . . . 34 ASP CA . 17640 1 262 . 1 1 34 34 ASP CB C 13 43.8400 0.0000 . 1 . . . . 34 ASP CB . 17640 1 263 . 1 1 34 34 ASP N N 15 117.7520 0.0000 . 1 . . . . 34 ASP N . 17640 1 264 . 1 1 35 35 PRO CA C 13 63.2960 0.0000 . 1 . . . . 35 PRO CA . 17640 1 265 . 1 1 36 36 ARG H H 1 8.8280 0.0000 . 1 . . . . 36 ARG HN . 17640 1 266 . 1 1 36 36 ARG CA C 13 57.1690 0.0000 . 1 . . . . 36 ARG CA . 17640 1 267 . 1 1 36 36 ARG N N 15 121.0030 0.0000 . 1 . . . . 36 ARG N . 17640 1 268 . 1 1 37 37 LEU H H 1 7.4150 0.0000 . 1 . . . . 37 LEU HN . 17640 1 269 . 1 1 37 37 LEU CA C 13 52.7940 0.0000 . 1 . . . . 37 LEU CA . 17640 1 270 . 1 1 37 37 LEU CB C 13 41.7780 0.0000 . 1 . . . . 37 LEU CB . 17640 1 271 . 1 1 37 37 LEU CD1 C 13 26.0820 0.0000 . 2 . . . . 37 LEU CD1 . 17640 1 272 . 1 1 37 37 LEU CD2 C 13 22.4080 0.0000 . 2 . . . . 37 LEU CD2 . 17640 1 273 . 1 1 37 37 LEU N N 15 121.3140 0.0000 . 1 . . . . 37 LEU N . 17640 1 274 . 1 1 38 38 ALA H H 1 8.2870 0.0000 . 1 . . . . 38 ALA HN . 17640 1 275 . 1 1 38 38 ALA HA H 1 4.4830 0.0000 . 1 . . . . 38 ALA HA . 17640 1 276 . 1 1 38 38 ALA HB1 H 1 1.2730 0.0000 . 1 . . . . 38 ALA HB1 . 17640 1 277 . 1 1 38 38 ALA HB2 H 1 1.2730 0.0000 . 1 . . . . 38 ALA HB1 . 17640 1 278 . 1 1 38 38 ALA HB3 H 1 1.2730 0.0000 . 1 . . . . 38 ALA HB1 . 17640 1 279 . 1 1 38 38 ALA CA C 13 53.3410 0.0000 . 1 . . . . 38 ALA CA . 17640 1 280 . 1 1 38 38 ALA CB C 13 17.0960 0.0000 . 1 . . . . 38 ALA CB . 17640 1 281 . 1 1 38 38 ALA N N 15 124.1960 0.0000 . 1 . . . . 38 ALA N . 17640 1 282 . 1 1 39 39 ASP H H 1 8.7610 0.0000 . 1 . . . . 39 ASP HN . 17640 1 283 . 1 1 39 39 ASP HA H 1 4.2550 0.0000 . 1 . . . . 39 ASP HA . 17640 1 284 . 1 1 39 39 ASP HB2 H 1 3.0660 0.0000 . 2 . . . . 39 ASP HB1 . 17640 1 285 . 1 1 39 39 ASP HB3 H 1 2.2440 0.0000 . 2 . . . . 39 ASP HB2 . 17640 1 286 . 1 1 39 39 ASP CA C 13 54.1720 0.0000 . 1 . . . . 39 ASP CA . 17640 1 287 . 1 1 39 39 ASP CB C 13 41.6620 0.0000 . 1 . . . . 39 ASP CB . 17640 1 288 . 1 1 39 39 ASP N N 15 118.6770 0.0000 . 1 . . . . 39 ASP N . 17640 1 289 . 1 1 40 40 ASN H H 1 8.0980 0.0000 . 1 . . . . 40 ASN HN . 17640 1 290 . 1 1 40 40 ASN N N 15 114.7850 0.0000 . 1 . . . . 40 ASN N . 17640 1 291 . 1 1 41 41 PRO CA C 13 55.8550 0.0000 . 1 . . . . 41 PRO CA . 17640 1 292 . 1 1 41 41 PRO CB C 13 28.9810 0.0000 . 1 . . . . 41 PRO CB . 17640 1 293 . 1 1 42 42 LEU H H 1 8.1120 0.0000 . 1 . . . . 42 LEU HN . 17640 1 294 . 1 1 42 42 LEU CA C 13 54.5950 0.0000 . 1 . . . . 42 LEU CA . 17640 1 295 . 1 1 42 42 LEU N N 15 114.9630 0.0000 . 1 . . . . 42 LEU N . 17640 1 296 . 1 1 43 43 ILE H H 1 9.5350 0.0000 . 1 . . . . 43 ILE HN . 17640 1 297 . 1 1 43 43 ILE HD11 H 1 0.9320 0.0000 . 1 . . . . 43 ILE HD11 . 17640 1 298 . 1 1 43 43 ILE HD12 H 1 0.9320 0.0000 . 1 . . . . 43 ILE HD11 . 17640 1 299 . 1 1 43 43 ILE HD13 H 1 0.9320 0.0000 . 1 . . . . 43 ILE HD11 . 17640 1 300 . 1 1 43 43 ILE CA C 13 60.1540 0.0000 . 1 . . . . 43 ILE CA . 17640 1 301 . 1 1 43 43 ILE CB C 13 39.1510 0.0000 . 1 . . . . 43 ILE CB . 17640 1 302 . 1 1 43 43 ILE CD1 C 13 15.2940 0.0000 . 1 . . . . 43 ILE CD1 . 17640 1 303 . 1 1 43 43 ILE N N 15 113.6080 0.0000 . 1 . . . . 43 ILE N . 17640 1 304 . 1 1 44 44 ALA H H 1 7.4680 0.0000 . 1 . . . . 44 ALA HN . 17640 1 305 . 1 1 44 44 ALA HA H 1 4.4280 0.0000 . 1 . . . . 44 ALA HA . 17640 1 306 . 1 1 44 44 ALA CA C 13 51.9630 0.0000 . 1 . . . . 44 ALA CA . 17640 1 307 . 1 1 44 44 ALA CB C 13 21.6160 0.0000 . 1 . . . . 44 ALA CB . 17640 1 308 . 1 1 44 44 ALA N N 15 121.0510 0.0000 . 1 . . . . 44 ALA N . 17640 1 309 . 1 1 45 45 ILE H H 1 8.3520 0.0000 . 1 . . . . 45 ILE HN . 17640 1 310 . 1 1 45 45 ILE HA H 1 4.9290 0.0000 . 1 . . . . 45 ILE HA . 17640 1 311 . 1 1 45 45 ILE CA C 13 59.2410 0.0000 . 1 . . . . 45 ILE CA . 17640 1 312 . 1 1 45 45 ILE CB C 13 41.1630 0.0000 . 1 . . . . 45 ILE CB . 17640 1 313 . 1 1 45 45 ILE CD1 C 13 15.1190 0.0000 . 1 . . . . 45 ILE CD1 . 17640 1 314 . 1 1 45 45 ILE N N 15 112.2270 0.0000 . 1 . . . . 45 ILE N . 17640 1 315 . 1 1 46 46 ASN H H 1 7.8920 0.0000 . 1 . . . . 46 ASN HN . 17640 1 316 . 1 1 46 46 ASN CA C 13 49.2820 0.0000 . 1 . . . . 46 ASN CA . 17640 1 317 . 1 1 46 46 ASN CB C 13 39.7360 0.0000 . 1 . . . . 46 ASN CB . 17640 1 318 . 1 1 46 46 ASN N N 15 118.3440 0.0000 . 1 . . . . 46 ASN N . 17640 1 319 . 1 1 47 47 GLN H H 1 8.8990 0.0000 . 1 . . . . 47 GLN HN . 17640 1 320 . 1 1 47 47 GLN HA H 1 4.0330 0.0000 . 1 . . . . 47 GLN HA . 17640 1 321 . 1 1 47 47 GLN HB2 H 1 2.2680 0.0000 . 2 . . . . 47 GLN HB1 . 17640 1 322 . 1 1 47 47 GLN HB3 H 1 1.9350 0.0000 . 2 . . . . 47 GLN HB2 . 17640 1 323 . 1 1 47 47 GLN HG2 H 1 33.5990 0.0000 . 2 . . . . 47 GLN HG1 . 17640 1 324 . 1 1 47 47 GLN CA C 13 57.9110 0.0000 . 1 . . . . 47 GLN CA . 17640 1 325 . 1 1 47 47 GLN CB C 13 27.5100 0.0000 . 1 . . . . 47 GLN CB . 17640 1 326 . 1 1 47 47 GLN CG C 13 33.5540 0.0000 . 1 . . . . 47 GLN CG . 17640 1 327 . 1 1 47 47 GLN N N 15 119.9460 0.0000 . 1 . . . . 47 GLN N . 17640 1 328 . 1 1 48 48 ALA H H 1 8.0680 0.0000 . 1 . . . . 48 ALA HN . 17640 1 329 . 1 1 48 48 ALA HA H 1 4.2440 0.0000 . 1 . . . . 48 ALA HA . 17640 1 330 . 1 1 48 48 ALA HB1 H 1 1.3260 0.0000 . 1 . . . . 48 ALA HB1 . 17640 1 331 . 1 1 48 48 ALA HB2 H 1 1.3260 0.0000 . 1 . . . . 48 ALA HB1 . 17640 1 332 . 1 1 48 48 ALA HB3 H 1 1.3260 0.0000 . 1 . . . . 48 ALA HB1 . 17640 1 333 . 1 1 48 48 ALA CA C 13 54.3660 0.0000 . 1 . . . . 48 ALA CA . 17640 1 334 . 1 1 48 48 ALA CB C 13 16.6990 0.0000 . 1 . . . . 48 ALA CB . 17640 1 335 . 1 1 48 48 ALA N N 15 119.1910 0.0000 . 1 . . . . 48 ALA N . 17640 1 336 . 1 1 49 49 PHE H H 1 8.4210 0.0000 . 1 . . . . 49 PHE HN . 17640 1 337 . 1 1 49 49 PHE HA H 1 4.3660 0.0000 . 1 . . . . 49 PHE HA . 17640 1 338 . 1 1 49 49 PHE HB2 H 1 3.6830 0.0000 . 2 . . . . 49 PHE HB1 . 17640 1 339 . 1 1 49 49 PHE HB3 H 1 3.6610 0.0000 . 2 . . . . 49 PHE HB2 . 17640 1 340 . 1 1 49 49 PHE CA C 13 62.7470 0.0000 . 1 . . . . 49 PHE CA . 17640 1 341 . 1 1 49 49 PHE CB C 13 39.0550 0.0000 . 1 . . . . 49 PHE CB . 17640 1 342 . 1 1 49 49 PHE N N 15 122.6110 0.0000 . 1 . . . . 49 PHE N . 17640 1 343 . 1 1 50 50 THR H H 1 7.7420 0.0000 . 1 . . . . 50 THR HN . 17640 1 344 . 1 1 50 50 THR HA H 1 4.1950 0.0000 . 1 . . . . 50 THR HA . 17640 1 345 . 1 1 50 50 THR HB H 1 4.2070 0.0000 . 1 . . . . 50 THR HB . 17640 1 346 . 1 1 50 50 THR HG21 H 1 1.0200 0.0000 . 1 . . . . 50 THR HG21 . 17640 1 347 . 1 1 50 50 THR HG22 H 1 1.0200 0.0000 . 1 . . . . 50 THR HG21 . 17640 1 348 . 1 1 50 50 THR HG23 H 1 1.0200 0.0000 . 1 . . . . 50 THR HG21 . 17640 1 349 . 1 1 50 50 THR CA C 13 66.1420 0.0000 . 1 . . . . 50 THR CA . 17640 1 350 . 1 1 50 50 THR CB C 13 68.4600 0.0000 . 1 . . . . 50 THR CB . 17640 1 351 . 1 1 50 50 THR CG2 C 13 22.1300 0.0000 . 1 . . . . 50 THR CG2 . 17640 1 352 . 1 1 50 50 THR N N 15 123.8640 0.0000 . 1 . . . . 50 THR N . 17640 1 353 . 1 1 51 51 ASP H H 1 8.8210 0.0000 . 1 . . . . 51 ASP HN . 17640 1 354 . 1 1 51 51 ASP HA H 1 4.1540 0.0000 . 1 . . . . 51 ASP HA . 17640 1 355 . 1 1 51 51 ASP HB2 H 1 2.6430 0.0000 . 2 . . . . 51 ASP HB1 . 17640 1 356 . 1 1 51 51 ASP CA C 13 57.0470 0.0000 . 1 . . . . 51 ASP CA . 17640 1 357 . 1 1 51 51 ASP CB C 13 39.4720 0.0000 . 1 . . . . 51 ASP CB . 17640 1 358 . 1 1 51 51 ASP N N 15 123.1430 0.0000 . 1 . . . . 51 ASP N . 17640 1 359 . 1 1 53 53 THR CB C 13 67.2520 0.0000 . 1 . . . . 53 THR CB . 17640 1 360 . 1 1 54 54 GLY H H 1 9.4050 0.0000 . 1 . . . . 54 GLY HN . 17640 1 361 . 1 1 54 54 GLY CA C 13 44.6400 0.0000 . 1 . . . . 54 GLY CA . 17640 1 362 . 1 1 54 54 GLY N N 15 113.1060 0.0000 . 1 . . . . 54 GLY N . 17640 1 363 . 1 1 55 55 TYR H H 1 7.6430 0.0000 . 1 . . . . 55 TYR HN . 17640 1 364 . 1 1 55 55 TYR CA C 13 58.4290 0.0000 . 1 . . . . 55 TYR CA . 17640 1 365 . 1 1 55 55 TYR CB C 13 39.2830 0.0000 . 1 . . . . 55 TYR CB . 17640 1 366 . 1 1 55 55 TYR N N 15 118.6530 0.0000 . 1 . . . . 55 TYR N . 17640 1 367 . 1 1 56 56 SER H H 1 9.3340 0.0000 . 1 . . . . 56 SER HN . 17640 1 368 . 1 1 56 56 SER CA C 13 56.8130 0.0000 . 1 . . . . 56 SER CA . 17640 1 369 . 1 1 56 56 SER CB C 13 64.8920 0.0000 . 1 . . . . 56 SER CB . 17640 1 370 . 1 1 56 56 SER N N 15 119.2640 0.0000 . 1 . . . . 56 SER N . 17640 1 371 . 1 1 57 57 GLU H H 1 9.2610 0.0000 . 1 . . . . 57 GLU HN . 17640 1 372 . 1 1 57 57 GLU HA H 1 3.6900 0.0000 . 1 . . . . 57 GLU HA . 17640 1 373 . 1 1 57 57 GLU HB2 H 1 2.0510 0.0000 . 2 . . . . 57 GLU HB1 . 17640 1 374 . 1 1 57 57 GLU HB3 H 1 2.0320 0.0000 . 2 . . . . 57 GLU HB2 . 17640 1 375 . 1 1 57 57 GLU HG2 H 1 2.2380 0.0000 . 2 . . . . 57 GLU HG1 . 17640 1 376 . 1 1 57 57 GLU HG3 H 1 2.1720 0.0000 . 2 . . . . 57 GLU HG2 . 17640 1 377 . 1 1 57 57 GLU CA C 13 60.6100 0.0000 . 1 . . . . 57 GLU CA . 17640 1 378 . 1 1 57 57 GLU CB C 13 28.7220 0.0000 . 1 . . . . 57 GLU CB . 17640 1 379 . 1 1 57 57 GLU CG C 13 36.4370 0.0000 . 1 . . . . 57 GLU CG . 17640 1 380 . 1 1 57 57 GLU N N 15 123.2100 0.0000 . 1 . . . . 57 GLU N . 17640 1 381 . 1 1 58 58 GLU H H 1 9.0190 0.0000 . 1 . . . . 58 GLU HN . 17640 1 382 . 1 1 58 58 GLU HA H 1 4.0240 0.0000 . 1 . . . . 58 GLU HA . 17640 1 383 . 1 1 58 58 GLU HB2 H 1 2.0190 0.0000 . 2 . . . . 58 GLU HB1 . 17640 1 384 . 1 1 58 58 GLU HB3 H 1 1.9480 0.0000 . 2 . . . . 58 GLU HB2 . 17640 1 385 . 1 1 58 58 GLU HG2 H 1 2.2520 0.0000 . 2 . . . . 58 GLU HG1 . 17640 1 386 . 1 1 58 58 GLU CA C 13 58.5470 0.0000 . 1 . . . . 58 GLU CA . 17640 1 387 . 1 1 58 58 GLU CB C 13 28.0010 0.0000 . 1 . . . . 58 GLU CB . 17640 1 388 . 1 1 58 58 GLU CG C 13 36.3860 0.0000 . 1 . . . . 58 GLU CG . 17640 1 389 . 1 1 58 58 GLU N N 15 117.2820 0.0000 . 1 . . . . 58 GLU N . 17640 1 390 . 1 1 59 59 GLU H H 1 7.4320 0.0000 . 1 . . . . 59 GLU HN . 17640 1 391 . 1 1 59 59 GLU HA H 1 4.1210 0.0000 . 1 . . . . 59 GLU HA . 17640 1 392 . 1 1 59 59 GLU HB2 H 1 2.3520 0.0000 . 2 . . . . 59 GLU HB1 . 17640 1 393 . 1 1 59 59 GLU HB3 H 1 2.0090 0.0000 . 2 . . . . 59 GLU HB2 . 17640 1 394 . 1 1 59 59 GLU HG2 H 1 2.2900 0.0000 . 2 . . . . 59 GLU HG1 . 17640 1 395 . 1 1 59 59 GLU CA C 13 56.5000 0.0000 . 1 . . . . 59 GLU CA . 17640 1 396 . 1 1 59 59 GLU CB C 13 30.4230 0.0000 . 1 . . . . 59 GLU CB . 17640 1 397 . 1 1 59 59 GLU CG C 13 36.3760 0.0000 . 1 . . . . 59 GLU CG . 17640 1 398 . 1 1 59 59 GLU N N 15 116.1590 0.0000 . 1 . . . . 59 GLU N . 17640 1 399 . 1 1 60 60 CYS H H 1 7.4330 0.0000 . 1 . . . . 60 CYS HN . 17640 1 400 . 1 1 60 60 CYS CA C 13 59.5580 0.0000 . 1 . . . . 60 CYS CA . 17640 1 401 . 1 1 60 60 CYS CB C 13 30.1920 0.0000 . 1 . . . . 60 CYS CB . 17640 1 402 . 1 1 60 60 CYS N N 15 114.2760 0.0000 . 1 . . . . 60 CYS N . 17640 1 403 . 1 1 61 61 VAL H H 1 7.8560 0.0000 . 1 . . . . 61 VAL HN . 17640 1 404 . 1 1 61 61 VAL CA C 13 64.7440 0.0000 . 1 . . . . 61 VAL CA . 17640 1 405 . 1 1 61 61 VAL CB C 13 30.3890 0.0000 . 1 . . . . 61 VAL CB . 17640 1 406 . 1 1 61 61 VAL N N 15 117.8250 0.0000 . 1 . . . . 61 VAL N . 17640 1 407 . 1 1 63 63 ARG CA C 13 53.9570 0.0000 . 1 . . . . 63 ARG CA . 17640 1 408 . 1 1 63 63 ARG CB C 13 32.1370 0.0000 . 1 . . . . 63 ARG CB . 17640 1 409 . 1 1 64 64 ASN H H 1 8.9270 0.0000 . 1 . . . . 64 ASN HN . 17640 1 410 . 1 1 64 64 ASN CA C 13 54.3170 0.0000 . 1 . . . . 64 ASN CA . 17640 1 411 . 1 1 64 64 ASN CB C 13 39.7910 0.0000 . 1 . . . . 64 ASN CB . 17640 1 412 . 1 1 64 64 ASN N N 15 121.9110 0.0000 . 1 . . . . 64 ASN N . 17640 1 413 . 1 1 65 65 CYS H H 1 8.0390 0.0000 . 1 . . . . 65 CYS HN . 17640 1 414 . 1 1 65 65 CYS CA C 13 60.0700 0.0000 . 1 . . . . 65 CYS CA . 17640 1 415 . 1 1 65 65 CYS N N 15 124.0920 0.0000 . 1 . . . . 65 CYS N . 17640 1 416 . 1 1 66 66 ARG H H 1 8.6320 0.0000 . 1 . . . . 66 ARG HN . 17640 1 417 . 1 1 66 66 ARG CA C 13 57.4030 0.0000 . 1 . . . . 66 ARG CA . 17640 1 418 . 1 1 66 66 ARG CB C 13 29.1890 0.0000 . 1 . . . . 66 ARG CB . 17640 1 419 . 1 1 66 66 ARG N N 15 119.2040 0.0000 . 1 . . . . 66 ARG N . 17640 1 420 . 1 1 67 67 PHE H H 1 6.7700 0.0000 . 1 . . . . 67 PHE HN . 17640 1 421 . 1 1 67 67 PHE HA H 1 4.5550 0.0000 . 1 . . . . 67 PHE HA . 17640 1 422 . 1 1 67 67 PHE HB2 H 1 3.2720 0.0000 . 2 . . . . 67 PHE HB1 . 17640 1 423 . 1 1 67 67 PHE HB3 H 1 2.8880 0.0000 . 2 . . . . 67 PHE HB2 . 17640 1 424 . 1 1 67 67 PHE CA C 13 58.3110 0.0000 . 1 . . . . 67 PHE CA . 17640 1 425 . 1 1 67 67 PHE CB C 13 36.8700 0.0000 . 1 . . . . 67 PHE CB . 17640 1 426 . 1 1 67 67 PHE N N 15 117.8220 0.0000 . 1 . . . . 67 PHE N . 17640 1 427 . 1 1 68 68 LEU H H 1 6.8110 0.0000 . 1 . . . . 68 LEU HN . 17640 1 428 . 1 1 68 68 LEU HA H 1 4.4450 0.0000 . 1 . . . . 68 LEU HA . 17640 1 429 . 1 1 68 68 LEU HG H 1 1.1810 0.0000 . 1 . . . . 68 LEU HG . 17640 1 430 . 1 1 68 68 LEU HD11 H 1 1.0830 0.0000 . 2 . . . . 68 LEU HD11 . 17640 1 431 . 1 1 68 68 LEU HD12 H 1 1.0830 0.0000 . 2 . . . . 68 LEU HD11 . 17640 1 432 . 1 1 68 68 LEU HD13 H 1 1.0830 0.0000 . 2 . . . . 68 LEU HD11 . 17640 1 433 . 1 1 68 68 LEU HD21 H 1 0.7750 0.0000 . 2 . . . . 68 LEU HD21 . 17640 1 434 . 1 1 68 68 LEU HD22 H 1 0.7750 0.0000 . 2 . . . . 68 LEU HD21 . 17640 1 435 . 1 1 68 68 LEU HD23 H 1 0.7750 0.0000 . 2 . . . . 68 LEU HD21 . 17640 1 436 . 1 1 68 68 LEU CA C 13 55.7680 0.0000 . 1 . . . . 68 LEU CA . 17640 1 437 . 1 1 68 68 LEU CB C 13 42.0130 0.0000 . 1 . . . . 68 LEU CB . 17640 1 438 . 1 1 68 68 LEU CG C 13 26.6350 0.0000 . 1 . . . . 68 LEU CG . 17640 1 439 . 1 1 68 68 LEU CD1 C 13 23.4510 0.0000 . 2 . . . . 68 LEU CD1 . 17640 1 440 . 1 1 68 68 LEU CD2 C 13 26.1500 0.0000 . 2 . . . . 68 LEU CD2 . 17640 1 441 . 1 1 68 68 LEU N N 15 120.5730 0.0000 . 1 . . . . 68 LEU N . 17640 1 442 . 1 1 69 69 ALA H H 1 7.7680 0.0000 . 1 . . . . 69 ALA HN . 17640 1 443 . 1 1 69 69 ALA CA C 13 50.9310 0.0000 . 1 . . . . 69 ALA CA . 17640 1 444 . 1 1 69 69 ALA CB C 13 19.4040 0.0000 . 1 . . . . 69 ALA CB . 17640 1 445 . 1 1 69 69 ALA N N 15 120.7490 0.0000 . 1 . . . . 69 ALA N . 17640 1 446 . 1 1 70 70 GLY H H 1 8.9410 0.0000 . 1 . . . . 70 GLY HN . 17640 1 447 . 1 1 70 70 GLY CA C 13 45.2940 0.0000 . 1 . . . . 70 GLY CA . 17640 1 448 . 1 1 70 70 GLY N N 15 105.9510 0.0000 . 1 . . . . 70 GLY N . 17640 1 449 . 1 1 71 71 SER H H 1 8.6980 0.0000 . 1 . . . . 71 SER HN . 17640 1 450 . 1 1 71 71 SER CA C 13 61.4870 0.0000 . 1 . . . . 71 SER CA . 17640 1 451 . 1 1 71 71 SER CB C 13 -939.2800 0.0000 . 1 . . . . 71 SER CB . 17640 1 452 . 1 1 71 71 SER N N 15 118.8980 0.0000 . 1 . . . . 71 SER N . 17640 1 453 . 1 1 72 72 GLY H H 1 8.4960 0.0000 . 1 . . . . 72 GLY HN . 17640 1 454 . 1 1 72 72 GLY CA C 13 44.4360 0.0000 . 1 . . . . 72 GLY CA . 17640 1 455 . 1 1 72 72 GLY N N 15 108.0360 0.0000 . 1 . . . . 72 GLY N . 17640 1 456 . 1 1 73 73 THR H H 1 7.7440 0.0000 . 1 . . . . 73 THR HN . 17640 1 457 . 1 1 73 73 THR CA C 13 64.6420 0.0000 . 1 . . . . 73 THR CA . 17640 1 458 . 1 1 73 73 THR CB C 13 68.4680 0.0000 . 1 . . . . 73 THR CB . 17640 1 459 . 1 1 73 73 THR N N 15 119.3000 0.0000 . 1 . . . . 73 THR N . 17640 1 460 . 1 1 74 74 GLU H H 1 10.7100 0.0000 . 1 . . . . 74 GLU HN . 17640 1 461 . 1 1 74 74 GLU CA C 13 55.9210 0.0000 . 1 . . . . 74 GLU CA . 17640 1 462 . 1 1 74 74 GLU CB C 13 25.8950 0.0000 . 1 . . . . 74 GLU CB . 17640 1 463 . 1 1 74 74 GLU N N 15 134.5920 0.0000 . 1 . . . . 74 GLU N . 17640 1 464 . 1 1 76 76 TRP H H 1 7.0930 0.0000 . 1 . . . . 76 TRP HN . 17640 1 465 . 1 1 76 76 TRP HA H 1 4.2710 0.0000 . 1 . . . . 76 TRP HA . 17640 1 466 . 1 1 76 76 TRP HB2 H 1 3.6830 0.0000 . 2 . . . . 76 TRP HB1 . 17640 1 467 . 1 1 76 76 TRP HB3 H 1 2.3330 0.0000 . 2 . . . . 76 TRP HB2 . 17640 1 468 . 1 1 76 76 TRP CA C 13 51.6370 0.0000 . 1 . . . . 76 TRP CA . 17640 1 469 . 1 1 76 76 TRP CB C 13 27.7940 0.0000 . 1 . . . . 76 TRP CB . 17640 1 470 . 1 1 76 76 TRP N N 15 112.8880 0.0000 . 1 . . . . 76 TRP N . 17640 1 471 . 1 1 77 77 LEU H H 1 6.3840 0.0000 . 1 . . . . 77 LEU HN . 17640 1 472 . 1 1 77 77 LEU HA H 1 4.3000 0.0000 . 1 . . . . 77 LEU HA . 17640 1 473 . 1 1 77 77 LEU HD11 H 1 0.8070 0.0000 . 2 . . . . 77 LEU HD11 . 17640 1 474 . 1 1 77 77 LEU HD12 H 1 0.8070 0.0000 . 2 . . . . 77 LEU HD11 . 17640 1 475 . 1 1 77 77 LEU HD13 H 1 0.8070 0.0000 . 2 . . . . 77 LEU HD11 . 17640 1 476 . 1 1 77 77 LEU HD21 H 1 0.8320 0.0000 . 2 . . . . 77 LEU HD21 . 17640 1 477 . 1 1 77 77 LEU HD22 H 1 0.8320 0.0000 . 2 . . . . 77 LEU HD21 . 17640 1 478 . 1 1 77 77 LEU HD23 H 1 0.8320 0.0000 . 2 . . . . 77 LEU HD21 . 17640 1 479 . 1 1 77 77 LEU CA C 13 56.7690 0.0000 . 1 . . . . 77 LEU CA . 17640 1 480 . 1 1 77 77 LEU CD1 C 13 25.5600 0.0000 . 2 . . . . 77 LEU CD1 . 17640 1 481 . 1 1 77 77 LEU CD2 C 13 22.2000 0.0000 . 2 . . . . 77 LEU CD2 . 17640 1 482 . 1 1 77 77 LEU N N 15 122.7850 0.0000 . 1 . . . . 77 LEU N . 17640 1 483 . 1 1 78 78 THR H H 1 8.0780 0.0000 . 1 . . . . 78 THR HN . 17640 1 484 . 1 1 78 78 THR HA H 1 4.2710 0.0000 . 1 . . . . 78 THR HA . 17640 1 485 . 1 1 78 78 THR HB H 1 4.0800 0.0000 . 1 . . . . 78 THR HB . 17640 1 486 . 1 1 78 78 THR HG21 H 1 1.1790 0.0000 . 1 . . . . 78 THR HG21 . 17640 1 487 . 1 1 78 78 THR HG22 H 1 1.1790 0.0000 . 1 . . . . 78 THR HG21 . 17640 1 488 . 1 1 78 78 THR HG23 H 1 1.1790 0.0000 . 1 . . . . 78 THR HG21 . 17640 1 489 . 1 1 78 78 THR CA C 13 65.3740 0.0000 . 1 . . . . 78 THR CA . 17640 1 490 . 1 1 78 78 THR CB C 13 68.0740 0.0000 . 1 . . . . 78 THR CB . 17640 1 491 . 1 1 78 78 THR CG2 C 13 23.4760 0.0000 . 1 . . . . 78 THR CG2 . 17640 1 492 . 1 1 78 78 THR N N 15 120.7760 0.0000 . 1 . . . . 78 THR N . 17640 1 493 . 1 1 79 79 ASP H H 1 8.2860 0.0000 . 1 . . . . 79 ASP HN . 17640 1 494 . 1 1 79 79 ASP HA H 1 4.4290 0.0000 . 1 . . . . 79 ASP HA . 17640 1 495 . 1 1 79 79 ASP HB2 H 1 2.7350 0.0000 . 2 . . . . 79 ASP HB1 . 17640 1 496 . 1 1 79 79 ASP HB3 H 1 2.5980 0.0000 . 2 . . . . 79 ASP HB2 . 17640 1 497 . 1 1 79 79 ASP CA C 13 57.7560 0.0000 . 1 . . . . 79 ASP CA . 17640 1 498 . 1 1 79 79 ASP CB C 13 17.1450 0.0000 . 1 . . . . 79 ASP CB . 17640 1 499 . 1 1 79 79 ASP N N 15 118.5460 0.0000 . 1 . . . . 79 ASP N . 17640 1 500 . 1 1 80 80 LYS H H 1 7.1400 0.0000 . 1 . . . . 80 LYS HN . 17640 1 501 . 1 1 80 80 LYS HA H 1 4.0480 0.0000 . 1 . . . . 80 LYS HA . 17640 1 502 . 1 1 80 80 LYS HB2 H 1 2.0580 0.0000 . 2 . . . . 80 LYS HB1 . 17640 1 503 . 1 1 80 80 LYS HB3 H 1 1.7630 0.0000 . 2 . . . . 80 LYS HB2 . 17640 1 504 . 1 1 80 80 LYS CA C 13 59.5480 0.0000 . 1 . . . . 80 LYS CA . 17640 1 505 . 1 1 80 80 LYS CB C 13 32.1620 0.0000 . 1 . . . . 80 LYS CB . 17640 1 506 . 1 1 80 80 LYS N N 15 118.8090 0.0000 . 1 . . . . 80 LYS N . 17640 1 507 . 1 1 81 81 ILE H H 1 7.4880 0.0000 . 1 . . . . 81 ILE HN . 17640 1 508 . 1 1 81 81 ILE HA H 1 3.4880 0.0000 . 1 . . . . 81 ILE HA . 17640 1 509 . 1 1 81 81 ILE HB H 1 1.8810 0.0000 . 1 . . . . 81 ILE HB . 17640 1 510 . 1 1 81 81 ILE HG12 H 1 1.1840 0.0000 . 2 . . . . 81 ILE HG11 . 17640 1 511 . 1 1 81 81 ILE HG21 H 1 0.4280 0.0000 . 1 . . . . 81 ILE HG21 . 17640 1 512 . 1 1 81 81 ILE HG22 H 1 0.4280 0.0000 . 1 . . . . 81 ILE HG21 . 17640 1 513 . 1 1 81 81 ILE HG23 H 1 0.4280 0.0000 . 1 . . . . 81 ILE HG21 . 17640 1 514 . 1 1 81 81 ILE HD11 H 1 0.3530 0.0000 . 1 . . . . 81 ILE HD11 . 17640 1 515 . 1 1 81 81 ILE HD12 H 1 0.3530 0.0000 . 1 . . . . 81 ILE HD11 . 17640 1 516 . 1 1 81 81 ILE HD13 H 1 0.3530 0.0000 . 1 . . . . 81 ILE HD11 . 17640 1 517 . 1 1 81 81 ILE CA C 13 66.1230 0.0000 . 1 . . . . 81 ILE CA . 17640 1 518 . 1 1 81 81 ILE CB C 13 66.1230 0.0000 . 1 . . . . 81 ILE CB . 17640 1 519 . 1 1 81 81 ILE CG1 C 13 23.4530 0.0000 . 1 . . . . 81 ILE CG1 . 17640 1 520 . 1 1 81 81 ILE CG2 C 13 17.7350 0.0000 . 1 . . . . 81 ILE CG2 . 17640 1 521 . 1 1 81 81 ILE CD1 C 13 13.5560 0.0000 . 1 . . . . 81 ILE CD1 . 17640 1 522 . 1 1 81 81 ILE N N 15 120.0180 0.0000 . 1 . . . . 81 ILE N . 17640 1 523 . 1 1 82 82 ARG H H 1 8.4260 0.0000 . 1 . . . . 82 ARG HN . 17640 1 524 . 1 1 82 82 ARG HA H 1 3.7760 0.0000 . 1 . . . . 82 ARG HA . 17640 1 525 . 1 1 82 82 ARG CA C 13 59.4320 0.0000 . 1 . . . . 82 ARG CA . 17640 1 526 . 1 1 82 82 ARG N N 15 118.5820 0.0000 . 1 . . . . 82 ARG N . 17640 1 527 . 1 1 83 83 GLN H H 1 8.3290 0.0000 . 1 . . . . 83 GLN HN . 17640 1 528 . 1 1 83 83 GLN HA H 1 3.9360 0.0000 . 1 . . . . 83 GLN HA . 17640 1 529 . 1 1 83 83 GLN HB2 H 1 2.0750 0.0000 . 2 . . . . 83 GLN HB1 . 17640 1 530 . 1 1 83 83 GLN CA C 13 58.3120 0.0000 . 1 . . . . 83 GLN CA . 17640 1 531 . 1 1 83 83 GLN CB C 13 27.2270 0.0000 . 1 . . . . 83 GLN CB . 17640 1 532 . 1 1 83 83 GLN N N 15 117.7130 0.0000 . 1 . . . . 83 GLN N . 17640 1 533 . 1 1 84 84 GLY H H 1 7.9250 0.0000 . 1 . . . . 84 GLY HN . 17640 1 534 . 1 1 84 84 GLY HA2 H 1 3.8500 0.0000 . 2 . . . . 84 GLY HA1 . 17640 1 535 . 1 1 84 84 GLY HA3 H 1 3.7170 0.0000 . 2 . . . . 84 GLY HA2 . 17640 1 536 . 1 1 84 84 GLY CA C 13 47.3510 0.0000 . 1 . . . . 84 GLY CA . 17640 1 537 . 1 1 84 84 GLY N N 15 108.6780 0.0000 . 1 . . . . 84 GLY N . 17640 1 538 . 1 1 85 85 VAL H H 1 8.1000 0.0000 . 1 . . . . 85 VAL HN . 17640 1 539 . 1 1 85 85 VAL HG11 H 1 0.3650 0.0000 . 2 . . . . 85 VAL HG11 . 17640 1 540 . 1 1 85 85 VAL HG12 H 1 0.3650 0.0000 . 2 . . . . 85 VAL HG11 . 17640 1 541 . 1 1 85 85 VAL HG13 H 1 0.3650 0.0000 . 2 . . . . 85 VAL HG11 . 17640 1 542 . 1 1 85 85 VAL HG21 H 1 0.2690 0.0000 . 2 . . . . 85 VAL HG21 . 17640 1 543 . 1 1 85 85 VAL HG22 H 1 0.2690 0.0000 . 2 . . . . 85 VAL HG21 . 17640 1 544 . 1 1 85 85 VAL HG23 H 1 0.2690 0.0000 . 2 . . . . 85 VAL HG21 . 17640 1 545 . 1 1 85 85 VAL CA C 13 64.8610 0.0000 . 1 . . . . 85 VAL CA . 17640 1 546 . 1 1 85 85 VAL CG1 C 13 22.6630 0.0000 . 2 . . . . 85 VAL CG1 . 17640 1 547 . 1 1 85 85 VAL CG2 C 13 20.3680 0.0000 . 2 . . . . 85 VAL CG2 . 17640 1 548 . 1 1 85 85 VAL N N 15 122.2280 0.0000 . 1 . . . . 85 VAL N . 17640 1 549 . 1 1 86 86 ARG H H 1 8.0500 0.0000 . 1 . . . . 86 ARG HN . 17640 1 550 . 1 1 86 86 ARG HA H 1 4.0470 0.0000 . 1 . . . . 86 ARG HA . 17640 1 551 . 1 1 86 86 ARG HB2 H 1 1.9030 0.0000 . 2 . . . . 86 ARG HB1 . 17640 1 552 . 1 1 86 86 ARG CA C 13 59.0080 0.0000 . 1 . . . . 86 ARG CA . 17640 1 553 . 1 1 86 86 ARG CB C 13 30.5670 0.0000 . 1 . . . . 86 ARG CB . 17640 1 554 . 1 1 86 86 ARG N N 15 119.9760 0.0000 . 1 . . . . 86 ARG N . 17640 1 555 . 1 1 87 87 GLU H H 1 8.4110 0.0000 . 1 . . . . 87 GLU HN . 17640 1 556 . 1 1 87 87 GLU HA H 1 4.1220 0.0000 . 1 . . . . 87 GLU HA . 17640 1 557 . 1 1 87 87 GLU HB2 H 1 2.1180 0.0000 . 2 . . . . 87 GLU HB2 . 17640 1 558 . 1 1 87 87 GLU HG2 H 1 2.4440 0.0000 . 2 . . . . 87 GLU HG1 . 17640 1 559 . 1 1 87 87 GLU HG3 H 1 2.2220 0.0000 . 2 . . . . 87 GLU HG2 . 17640 1 560 . 1 1 87 87 GLU CA C 13 55.8550 0.0000 . 1 . . . . 87 GLU CA . 17640 1 561 . 1 1 87 87 GLU CB C 13 28.9810 0.0000 . 1 . . . . 87 GLU CB . 17640 1 562 . 1 1 87 87 GLU CG C 13 36.6980 0.0000 . 1 . . . . 87 GLU CG . 17640 1 563 . 1 1 87 87 GLU N N 15 114.2160 0.0000 . 1 . . . . 87 GLU N . 17640 1 564 . 1 1 88 88 HIS H H 1 8.1120 0.0000 . 1 . . . . 88 HIS HN . 17640 1 565 . 1 1 88 88 HIS HA H 1 4.1210 0.0000 . 1 . . . . 88 HIS HA . 17640 1 566 . 1 1 88 88 HIS HB2 H 1 3.9290 0.0000 . 2 . . . . 88 HIS HB1 . 17640 1 567 . 1 1 88 88 HIS HB3 H 1 3.0700 0.0000 . 2 . . . . 88 HIS HB2 . 17640 1 568 . 1 1 88 88 HIS CA C 13 54.5710 0.0000 . 1 . . . . 88 HIS CA . 17640 1 569 . 1 1 88 88 HIS CB C 13 26.3590 0.0000 . 1 . . . . 88 HIS CB . 17640 1 570 . 1 1 88 88 HIS N N 15 114.9630 0.0000 . 1 . . . . 88 HIS N . 17640 1 571 . 1 1 89 89 LYS H H 1 9.1040 0.0000 . 1 . . . . 89 LYS HN . 17640 1 572 . 1 1 89 89 LYS HA H 1 5.0360 0.0000 . 1 . . . . 89 LYS HA . 17640 1 573 . 1 1 89 89 LYS HB2 H 1 1.8150 0.0000 . 2 . . . . 89 LYS HB1 . 17640 1 574 . 1 1 89 89 LYS HB3 H 1 1.6190 0.0000 . 2 . . . . 89 LYS HB2 . 17640 1 575 . 1 1 89 89 LYS CA C 13 53.1580 0.0000 . 1 . . . . 89 LYS CA . 17640 1 576 . 1 1 89 89 LYS CB C 13 35.7020 0.0000 . 1 . . . . 89 LYS CB . 17640 1 577 . 1 1 89 89 LYS N N 15 119.6110 0.0000 . 1 . . . . 89 LYS N . 17640 1 578 . 1 1 90 90 PRO HA H 1 5.1130 0.0000 . 1 . . . . 90 PRO HA . 17640 1 579 . 1 1 90 90 PRO CA C 13 61.9430 0.0000 . 1 . . . . 90 PRO CA . 17640 1 580 . 1 1 90 90 PRO CB C 13 32.1040 0.0000 . 1 . . . . 90 PRO CB . 17640 1 581 . 1 1 91 91 VAL H H 1 8.7290 0.0000 . 1 . . . . 91 VAL HN . 17640 1 582 . 1 1 91 91 VAL HA H 1 4.3170 0.0000 . 1 . . . . 91 VAL HA . 17640 1 583 . 1 1 91 91 VAL HB H 1 1.8070 0.0000 . 1 . . . . 91 VAL HB . 17640 1 584 . 1 1 91 91 VAL HG11 H 1 0.8210 0.0000 . 2 . . . . 91 VAL HG11 . 17640 1 585 . 1 1 91 91 VAL HG12 H 1 0.8210 0.0000 . 2 . . . . 91 VAL HG11 . 17640 1 586 . 1 1 91 91 VAL HG13 H 1 0.8210 0.0000 . 2 . . . . 91 VAL HG11 . 17640 1 587 . 1 1 91 91 VAL CA C 13 59.6670 0.0000 . 1 . . . . 91 VAL CA . 17640 1 588 . 1 1 91 91 VAL CB C 13 35.2010 0.0000 . 1 . . . . 91 VAL CB . 17640 1 589 . 1 1 91 91 VAL CG1 C 13 21.2000 0.0000 . 2 . . . . 91 VAL CG1 . 17640 1 590 . 1 1 91 91 VAL N N 15 120.1720 0.0000 . 1 . . . . 91 VAL N . 17640 1 591 . 1 1 92 92 LEU H H 1 8.0790 0.0000 . 1 . . . . 92 LEU HN . 17640 1 592 . 1 1 92 92 LEU HA H 1 5.7190 0.0000 . 1 . . . . 92 LEU HA . 17640 1 593 . 1 1 92 92 LEU HB2 H 1 1.6060 0.0000 . 2 . . . . 92 LEU HB1 . 17640 1 594 . 1 1 92 92 LEU HB3 H 1 1.0940 0.0000 . 2 . . . . 92 LEU HB2 . 17640 1 595 . 1 1 92 92 LEU HG H 1 1.2550 0.0000 . 1 . . . . 92 LEU HG . 17640 1 596 . 1 1 92 92 LEU HD11 H 1 0.8040 0.0000 . 2 . . . . 92 LEU HD11 . 17640 1 597 . 1 1 92 92 LEU HD12 H 1 0.8040 0.0000 . 2 . . . . 92 LEU HD11 . 17640 1 598 . 1 1 92 92 LEU HD13 H 1 0.8040 0.0000 . 2 . . . . 92 LEU HD11 . 17640 1 599 . 1 1 92 92 LEU HD21 H 1 0.6320 0.0000 . 2 . . . . 92 LEU HD21 . 17640 1 600 . 1 1 92 92 LEU HD22 H 1 0.6320 0.0000 . 2 . . . . 92 LEU HD21 . 17640 1 601 . 1 1 92 92 LEU HD23 H 1 0.6320 0.0000 . 2 . . . . 92 LEU HD21 . 17640 1 602 . 1 1 92 92 LEU CA C 13 53.4130 0.0000 . 1 . . . . 92 LEU CA . 17640 1 603 . 1 1 92 92 LEU CB C 13 44.4650 0.0000 . 1 . . . . 92 LEU CB . 17640 1 604 . 1 1 92 92 LEU CG C 13 28.1980 0.0000 . 1 . . . . 92 LEU CG . 17640 1 605 . 1 1 92 92 LEU CD1 C 13 25.4920 0.0000 . 2 . . . . 92 LEU CD1 . 17640 1 606 . 1 1 92 92 LEU CD2 C 13 24.5040 0.0000 . 2 . . . . 92 LEU CD2 . 17640 1 607 . 1 1 92 92 LEU N N 15 127.9560 0.0000 . 1 . . . . 92 LEU N . 17640 1 608 . 1 1 93 93 VAL H H 1 8.5570 0.0000 . 1 . . . . 93 VAL HN . 17640 1 609 . 1 1 93 93 VAL HA H 1 4.6260 0.0000 . 1 . . . . 93 VAL HA . 17640 1 610 . 1 1 93 93 VAL HB H 1 1.9100 0.0000 . 1 . . . . 93 VAL HB . 17640 1 611 . 1 1 93 93 VAL HG11 H 1 0.8210 0.0000 . 2 . . . . 93 VAL HG11 . 17640 1 612 . 1 1 93 93 VAL HG12 H 1 0.8210 0.0000 . 2 . . . . 93 VAL HG11 . 17640 1 613 . 1 1 93 93 VAL HG13 H 1 0.8210 0.0000 . 2 . . . . 93 VAL HG11 . 17640 1 614 . 1 1 93 93 VAL HG21 H 1 0.5850 0.0000 . 2 . . . . 93 VAL HG21 . 17640 1 615 . 1 1 93 93 VAL HG22 H 1 0.5850 0.0000 . 2 . . . . 93 VAL HG21 . 17640 1 616 . 1 1 93 93 VAL HG23 H 1 0.5850 0.0000 . 2 . . . . 93 VAL HG21 . 17640 1 617 . 1 1 93 93 VAL CA C 13 58.0620 0.0000 . 1 . . . . 93 VAL CA . 17640 1 618 . 1 1 93 93 VAL CB C 13 35.9480 0.0000 . 1 . . . . 93 VAL CB . 17640 1 619 . 1 1 93 93 VAL CG1 C 13 22.5360 0.0000 . 2 . . . . 93 VAL CG1 . 17640 1 620 . 1 1 93 93 VAL CG2 C 13 19.3920 0.0000 . 2 . . . . 93 VAL CG2 . 17640 1 621 . 1 1 93 93 VAL N N 15 119.0400 0.0000 . 1 . . . . 93 VAL N . 17640 1 622 . 1 1 94 94 GLU H H 1 8.2900 0.0000 . 1 . . . . 94 GLU HN . 17640 1 623 . 1 1 94 94 GLU HA H 1 5.0720 0.0000 . 1 . . . . 94 GLU HA . 17640 1 624 . 1 1 94 94 GLU HB2 H 1 1.9190 0.0000 . 2 . . . . 94 GLU HB1 . 17640 1 625 . 1 1 94 94 GLU HB3 H 1 1.4670 0.0000 . 2 . . . . 94 GLU HB2 . 17640 1 626 . 1 1 94 94 GLU HG2 H 1 2.0560 0.0000 . 2 . . . . 94 GLU HG1 . 17640 1 627 . 1 1 94 94 GLU HG3 H 1 1.8260 0.0000 . 2 . . . . 94 GLU HG2 . 17640 1 628 . 1 1 94 94 GLU CA C 13 54.4410 0.0000 . 1 . . . . 94 GLU CA . 17640 1 629 . 1 1 94 94 GLU CB C 13 28.3370 0.0000 . 1 . . . . 94 GLU CB . 17640 1 630 . 1 1 94 94 GLU CG C 13 36.5070 0.0000 . 1 . . . . 94 GLU CG . 17640 1 631 . 1 1 94 94 GLU N N 15 120.4330 0.0000 . 1 . . . . 94 GLU N . 17640 1 632 . 1 1 95 95 ILE H H 1 9.0050 0.0000 . 1 . . . . 95 ILE HN . 17640 1 633 . 1 1 95 95 ILE HA H 1 4.4060 0.0000 . 1 . . . . 95 ILE HA . 17640 1 634 . 1 1 95 95 ILE HB H 1 1.1720 0.0000 . 1 . . . . 95 ILE HB . 17640 1 635 . 1 1 95 95 ILE HG12 H 1 0.5880 0.0000 . 2 . . . . 95 ILE HG11 . 17640 1 636 . 1 1 95 95 ILE HG21 H 1 0.7680 0.0000 . 1 . . . . 95 ILE HG21 . 17640 1 637 . 1 1 95 95 ILE HG22 H 1 0.7680 0.0000 . 1 . . . . 95 ILE HG21 . 17640 1 638 . 1 1 95 95 ILE HG23 H 1 0.7680 0.0000 . 1 . . . . 95 ILE HG21 . 17640 1 639 . 1 1 95 95 ILE HD11 H 1 0.5830 0.0000 . 1 . . . . 95 ILE HD11 . 17640 1 640 . 1 1 95 95 ILE HD12 H 1 0.5830 0.0000 . 1 . . . . 95 ILE HD11 . 17640 1 641 . 1 1 95 95 ILE HD13 H 1 0.5830 0.0000 . 1 . . . . 95 ILE HD11 . 17640 1 642 . 1 1 95 95 ILE CA C 13 58.8660 0.0000 . 1 . . . . 95 ILE CA . 17640 1 643 . 1 1 95 95 ILE CB C 13 44.1520 0.0000 . 1 . . . . 95 ILE CB . 17640 1 644 . 1 1 95 95 ILE CG1 C 13 19.5760 0.0000 . 1 . . . . 95 ILE CG1 . 17640 1 645 . 1 1 95 95 ILE CG2 C 13 14.7650 0.0000 . 1 . . . . 95 ILE CG2 . 17640 1 646 . 1 1 95 95 ILE CD1 C 13 14.8370 0.0000 . 1 . . . . 95 ILE CD1 . 17640 1 647 . 1 1 95 95 ILE N N 15 126.6220 0.0000 . 1 . . . . 95 ILE N . 17640 1 648 . 1 1 96 96 LEU H H 1 9.7740 0.0000 . 1 . . . . 96 LEU HN . 17640 1 649 . 1 1 96 96 LEU HA H 1 4.2830 0.0000 . 1 . . . . 96 LEU HA . 17640 1 650 . 1 1 96 96 LEU HB2 H 1 1.6590 0.0000 . 2 . . . . 96 LEU HB1 . 17640 1 651 . 1 1 96 96 LEU HB3 H 1 1.3540 0.0000 . 2 . . . . 96 LEU HB2 . 17640 1 652 . 1 1 96 96 LEU HG H 1 1.0820 0.0000 . 1 . . . . 96 LEU HG . 17640 1 653 . 1 1 96 96 LEU HD11 H 1 0.6340 0.0000 . 2 . . . . 96 LEU HD11 . 17640 1 654 . 1 1 96 96 LEU HD12 H 1 0.6340 0.0000 . 2 . . . . 96 LEU HD11 . 17640 1 655 . 1 1 96 96 LEU HD13 H 1 0.6340 0.0000 . 2 . . . . 96 LEU HD11 . 17640 1 656 . 1 1 96 96 LEU HD21 H 1 0.5380 0.0000 . 2 . . . . 96 LEU HD21 . 17640 1 657 . 1 1 96 96 LEU HD22 H 1 0.5380 0.0000 . 2 . . . . 96 LEU HD21 . 17640 1 658 . 1 1 96 96 LEU HD23 H 1 0.5380 0.0000 . 2 . . . . 96 LEU HD21 . 17640 1 659 . 1 1 96 96 LEU CA C 13 55.6360 0.0000 . 1 . . . . 96 LEU CA . 17640 1 660 . 1 1 96 96 LEU CB C 13 40.2330 0.0000 . 1 . . . . 96 LEU CB . 17640 1 661 . 1 1 96 96 LEU CG C 13 27.0400 0.0000 . 1 . . . . 96 LEU CG . 17640 1 662 . 1 1 96 96 LEU CD1 C 13 25.2550 0.0000 . 2 . . . . 96 LEU CD1 . 17640 1 663 . 1 1 96 96 LEU CD2 C 13 23.4400 0.0000 . 2 . . . . 96 LEU CD2 . 17640 1 664 . 1 1 96 96 LEU N N 15 131.7140 0.0000 . 1 . . . . 96 LEU N . 17640 1 665 . 1 1 97 97 ASN H H 1 9.0120 0.0000 . 1 . . . . 97 ASN HN . 17640 1 666 . 1 1 97 97 ASN HA H 1 4.8690 0.0000 . 1 . . . . 97 ASN HA . 17640 1 667 . 1 1 97 97 ASN HB2 H 1 2.7450 0.0000 . 2 . . . . 97 ASN HB1 . 17640 1 668 . 1 1 97 97 ASN HB3 H 1 2.7150 0.0000 . 2 . . . . 97 ASN HB2 . 17640 1 669 . 1 1 97 97 ASN CA C 13 50.3510 0.0000 . 1 . . . . 97 ASN CA . 17640 1 670 . 1 1 97 97 ASN CB C 13 45.5420 0.0000 . 1 . . . . 97 ASN CB . 17640 1 671 . 1 1 97 97 ASN N N 15 133.8860 0.0000 . 1 . . . . 97 ASN N . 17640 1 672 . 1 1 98 98 TYR H H 1 8.9530 0.0000 . 1 . . . . 98 TYR HN . 17640 1 673 . 1 1 98 98 TYR HA H 1 5.2370 0.0000 . 1 . . . . 98 TYR HA . 17640 1 674 . 1 1 98 98 TYR HB2 H 1 2.7320 0.0000 . 2 . . . . 98 TYR HB1 . 17640 1 675 . 1 1 98 98 TYR HB3 H 1 2.5730 0.0000 . 2 . . . . 98 TYR HB2 . 17640 1 676 . 1 1 98 98 TYR CA C 13 57.4610 0.0000 . 1 . . . . 98 TYR CA . 17640 1 677 . 1 1 98 98 TYR CB C 13 41.1170 0.0000 . 1 . . . . 98 TYR CB . 17640 1 678 . 1 1 98 98 TYR N N 15 115.0230 0.0000 . 1 . . . . 98 TYR N . 17640 1 679 . 1 1 99 99 LYS H H 1 8.9840 0.0000 . 1 . . . . 99 LYS HN . 17640 1 680 . 1 1 99 99 LYS HA H 1 4.3250 0.0000 . 1 . . . . 99 LYS HA . 17640 1 681 . 1 1 99 99 LYS CA C 13 56.1760 0.0000 . 1 . . . . 99 LYS CA . 17640 1 682 . 1 1 99 99 LYS N N 15 122.8570 0.0000 . 1 . . . . 99 LYS N . 17640 1 683 . 1 1 100 100 LYS H H 1 8.6610 0.0000 . 1 . . . . 100 LYS HN . 17640 1 684 . 1 1 100 100 LYS HA H 1 3.7270 0.0000 . 1 . . . . 100 LYS HA . 17640 1 685 . 1 1 100 100 LYS CA C 13 59.3450 0.0000 . 1 . . . . 100 LYS CA . 17640 1 686 . 1 1 100 100 LYS CB C 13 31.4300 0.0000 . 1 . . . . 100 LYS CB . 17640 1 687 . 1 1 100 100 LYS N N 15 123.1190 0.0000 . 1 . . . . 100 LYS N . 17640 1 688 . 1 1 101 101 ASP H H 1 7.9000 0.0000 . 1 . . . . 101 ASP HN . 17640 1 689 . 1 1 101 101 ASP HA H 1 4.3120 0.0000 . 1 . . . . 101 ASP HA . 17640 1 690 . 1 1 101 101 ASP CA C 13 53.0990 0.0000 . 1 . . . . 101 ASP CA . 17640 1 691 . 1 1 101 101 ASP CB C 13 38.9640 0.0000 . 1 . . . . 101 ASP CB . 17640 1 692 . 1 1 101 101 ASP N N 15 114.3330 0.0000 . 1 . . . . 101 ASP N . 17640 1 693 . 1 1 102 102 GLY H H 1 8.3140 0.0000 . 1 . . . . 102 GLY HN . 17640 1 694 . 1 1 102 102 GLY HA2 H 1 4.3700 0.0000 . 2 . . . . 102 GLY HA1 . 17640 1 695 . 1 1 102 102 GLY HA3 H 1 3.7310 0.0000 . 2 . . . . 102 GLY HA2 . 17640 1 696 . 1 1 102 102 GLY CA C 13 44.3480 0.0000 . 1 . . . . 102 GLY CA . 17640 1 697 . 1 1 102 102 GLY N N 15 108.7620 0.0000 . 1 . . . . 102 GLY N . 17640 1 698 . 1 1 103 103 THR H H 1 8.2190 0.0000 . 1 . . . . 103 THR HN . 17640 1 699 . 1 1 103 103 THR CA C 13 61.9280 0.0000 . 1 . . . . 103 THR CA . 17640 1 700 . 1 1 103 103 THR CB C 13 69.3090 0.0000 . 1 . . . . 103 THR CB . 17640 1 701 . 1 1 103 103 THR N N 15 119.0920 0.0000 . 1 . . . . 103 THR N . 17640 1 702 . 1 1 104 104 PRO HA H 1 4.8600 0.0000 . 1 . . . . 104 PRO HA . 17640 1 703 . 1 1 104 104 PRO CA C 13 60.8850 0.0000 . 1 . . . . 104 PRO CA . 17640 1 704 . 1 1 104 104 PRO CB C 13 31.3940 0.0000 . 1 . . . . 104 PRO CB . 17640 1 705 . 1 1 105 105 PHE H H 1 9.2630 0.0000 . 1 . . . . 105 PHE HN . 17640 1 706 . 1 1 105 105 PHE HA H 1 4.6930 0.0000 . 1 . . . . 105 PHE HA . 17640 1 707 . 1 1 105 105 PHE CA C 13 55.4270 0.0000 . 1 . . . . 105 PHE CA . 17640 1 708 . 1 1 105 105 PHE CB C 13 41.1260 0.0000 . 1 . . . . 105 PHE CB . 17640 1 709 . 1 1 105 105 PHE N N 15 119.8770 0.0000 . 1 . . . . 105 PHE N . 17640 1 710 . 1 1 106 106 ARG H H 1 9.1580 0.0000 . 1 . . . . 106 ARG HN . 17640 1 711 . 1 1 106 106 ARG HA H 1 4.0140 0.0000 . 1 . . . . 106 ARG HA . 17640 1 712 . 1 1 106 106 ARG HB2 H 1 2.0780 0.0000 . 2 . . . . 106 ARG HB1 . 17640 1 713 . 1 1 106 106 ARG HB3 H 1 1.6290 0.0000 . 2 . . . . 106 ARG HB2 . 17640 1 714 . 1 1 106 106 ARG CA C 13 54.0320 0.0000 . 1 . . . . 106 ARG CA . 17640 1 715 . 1 1 106 106 ARG CB C 13 26.4000 0.0000 . 1 . . . . 106 ARG CB . 17640 1 716 . 1 1 106 106 ARG N N 15 124.9470 0.0000 . 1 . . . . 106 ARG N . 17640 1 717 . 1 1 107 107 ASN H H 1 8.9470 0.0000 . 1 . . . . 107 ASN HN . 17640 1 718 . 1 1 107 107 ASN HA H 1 4.9280 0.0000 . 1 . . . . 107 ASN HA . 17640 1 719 . 1 1 107 107 ASN HB2 H 1 2.7540 0.0000 . 2 . . . . 107 ASN HB1 . 17640 1 720 . 1 1 107 107 ASN HB3 H 1 1.6430 0.0000 . 2 . . . . 107 ASN HB2 . 17640 1 721 . 1 1 107 107 ASN CA C 13 50.2880 0.0000 . 1 . . . . 107 ASN CA . 17640 1 722 . 1 1 107 107 ASN CB C 13 40.4260 0.0000 . 1 . . . . 107 ASN CB . 17640 1 723 . 1 1 107 107 ASN N N 15 128.4950 0.0000 . 1 . . . . 107 ASN N . 17640 1 724 . 1 1 108 108 ALA H H 1 9.5810 0.0000 . 1 . . . . 108 ALA HN . 17640 1 725 . 1 1 108 108 ALA HA H 1 4.9690 0.0000 . 1 . . . . 108 ALA HA . 17640 1 726 . 1 1 108 108 ALA HB1 H 1 1.1410 0.0000 . 1 . . . . 108 ALA HB1 . 17640 1 727 . 1 1 108 108 ALA HB2 H 1 1.1410 0.0000 . 1 . . . . 108 ALA HB1 . 17640 1 728 . 1 1 108 108 ALA HB3 H 1 1.1410 0.0000 . 1 . . . . 108 ALA HB1 . 17640 1 729 . 1 1 108 108 ALA CA C 13 50.4830 0.0000 . 1 . . . . 108 ALA CA . 17640 1 730 . 1 1 108 108 ALA CB C 13 15.7370 0.0000 . 1 . . . . 108 ALA CB . 17640 1 731 . 1 1 108 108 ALA N N 15 129.0420 0.0000 . 1 . . . . 108 ALA N . 17640 1 732 . 1 1 109 109 VAL H H 1 8.9980 0.0000 . 1 . . . . 109 VAL HN . 17640 1 733 . 1 1 109 109 VAL HA H 1 5.1380 0.0000 . 1 . . . . 109 VAL HA . 17640 1 734 . 1 1 109 109 VAL HB H 1 1.7670 0.0000 . 1 . . . . 109 VAL HB . 17640 1 735 . 1 1 109 109 VAL HG11 H 1 0.6070 0.0000 . 2 . . . . 109 VAL HG11 . 17640 1 736 . 1 1 109 109 VAL HG12 H 1 0.6070 0.0000 . 2 . . . . 109 VAL HG11 . 17640 1 737 . 1 1 109 109 VAL HG13 H 1 0.6070 0.0000 . 2 . . . . 109 VAL HG11 . 17640 1 738 . 1 1 109 109 VAL HG21 H 1 0.4550 0.0000 . 2 . . . . 109 VAL HG21 . 17640 1 739 . 1 1 109 109 VAL HG22 H 1 0.4550 0.0000 . 2 . . . . 109 VAL HG21 . 17640 1 740 . 1 1 109 109 VAL HG23 H 1 0.4550 0.0000 . 2 . . . . 109 VAL HG21 . 17640 1 741 . 1 1 109 109 VAL CA C 13 58.5190 0.0000 . 1 . . . . 109 VAL CA . 17640 1 742 . 1 1 109 109 VAL CB C 13 32.9140 0.0000 . 1 . . . . 109 VAL CB . 17640 1 743 . 1 1 109 109 VAL CG1 C 13 22.8690 0.0000 . 2 . . . . 109 VAL CG1 . 17640 1 744 . 1 1 109 109 VAL CG2 C 13 20.9170 0.0000 . 2 . . . . 109 VAL CG2 . 17640 1 745 . 1 1 109 109 VAL N N 15 130.3360 0.0000 . 1 . . . . 109 VAL N . 17640 1 746 . 1 1 110 110 LEU H H 1 8.6780 0.0000 . 1 . . . . 110 LEU HN . 17640 1 747 . 1 1 110 110 LEU HA H 1 5.2990 0.0000 . 1 . . . . 110 LEU HA . 17640 1 748 . 1 1 110 110 LEU CA C 13 51.7030 0.0000 . 1 . . . . 110 LEU CA . 17640 1 749 . 1 1 110 110 LEU CB C 13 43.9670 0.0000 . 1 . . . . 110 LEU CB . 17640 1 750 . 1 1 110 110 LEU N N 15 127.9870 0.0000 . 1 . . . . 110 LEU N . 17640 1 751 . 1 1 111 111 VAL H H 1 8.5750 0.0000 . 1 . . . . 111 VAL HN . 17640 1 752 . 1 1 111 111 VAL HA H 1 4.8800 0.0000 . 1 . . . . 111 VAL HA . 17640 1 753 . 1 1 111 111 VAL HB H 1 1.3480 0.0000 . 1 . . . . 111 VAL HB . 17640 1 754 . 1 1 111 111 VAL HG11 H 1 0.1900 0.0000 . 2 . . . . 111 VAL HG11 . 17640 1 755 . 1 1 111 111 VAL HG12 H 1 0.1900 0.0000 . 2 . . . . 111 VAL HG11 . 17640 1 756 . 1 1 111 111 VAL HG13 H 1 0.1900 0.0000 . 2 . . . . 111 VAL HG11 . 17640 1 757 . 1 1 111 111 VAL HG21 H 1 0.8430 0.0000 . 2 . . . . 111 VAL HG21 . 17640 1 758 . 1 1 111 111 VAL HG22 H 1 0.8430 0.0000 . 2 . . . . 111 VAL HG21 . 17640 1 759 . 1 1 111 111 VAL HG23 H 1 0.8430 0.0000 . 2 . . . . 111 VAL HG21 . 17640 1 760 . 1 1 111 111 VAL CA C 13 61.1410 0.0000 . 1 . . . . 111 VAL CA . 17640 1 761 . 1 1 111 111 VAL CB C 13 32.7890 0.0000 . 1 . . . . 111 VAL CB . 17640 1 762 . 1 1 111 111 VAL CG1 C 13 21.5400 0.0000 . 2 . . . . 111 VAL CG1 . 17640 1 763 . 1 1 111 111 VAL CG2 C 13 21.2540 0.0000 . 2 . . . . 111 VAL CG2 . 17640 1 764 . 1 1 111 111 VAL N N 15 123.3070 0.0000 . 1 . . . . 111 VAL N . 17640 1 765 . 1 1 112 112 ALA H H 1 9.7010 0.0000 . 1 . . . . 112 ALA HN . 17640 1 766 . 1 1 112 112 ALA HA H 1 5.0170 0.0000 . 1 . . . . 112 ALA HA . 17640 1 767 . 1 1 112 112 ALA HB1 H 1 1.2500 0.0000 . 1 . . . . 112 ALA HB1 . 17640 1 768 . 1 1 112 112 ALA HB2 H 1 1.2500 0.0000 . 1 . . . . 112 ALA HB1 . 17640 1 769 . 1 1 112 112 ALA HB3 H 1 1.2500 0.0000 . 1 . . . . 112 ALA HB1 . 17640 1 770 . 1 1 112 112 ALA CA C 13 48.8020 0.0000 . 1 . . . . 112 ALA CA . 17640 1 771 . 1 1 112 112 ALA CB C 13 20.5750 0.0000 . 1 . . . . 112 ALA CB . 17640 1 772 . 1 1 112 112 ALA N N 15 129.0430 0.0000 . 1 . . . . 112 ALA N . 17640 1 773 . 1 1 114 114 ILE CD1 C 13 18.8810 0.0000 . 1 . . . . 114 ILE CD1 . 17640 1 774 . 1 1 115 115 TYR H H 1 8.3720 0.0000 . 1 . . . . 115 TYR HN . 17640 1 775 . 1 1 115 115 TYR N N 15 110.8640 0.0000 . 1 . . . . 115 TYR N . 17640 1 776 . 1 1 123 123 TYR CA C 13 56.6010 0.0000 . 1 . . . . 123 TYR CA . 17640 1 777 . 1 1 123 123 TYR CB C 13 40.6480 0.0000 . 1 . . . . 123 TYR CB . 17640 1 778 . 1 1 124 124 PHE H H 1 7.9670 0.0000 . 1 . . . . 124 PHE HN . 17640 1 779 . 1 1 124 124 PHE HA H 1 5.1990 0.0000 . 1 . . . . 124 PHE HA . 17640 1 780 . 1 1 124 124 PHE CA C 13 58.0660 0.0000 . 1 . . . . 124 PHE CA . 17640 1 781 . 1 1 124 124 PHE CB C 13 40.8810 0.0000 . 1 . . . . 124 PHE CB . 17640 1 782 . 1 1 124 124 PHE N N 15 112.8430 0.0000 . 1 . . . . 124 PHE N . 17640 1 783 . 1 1 125 125 LEU H H 1 9.3540 0.0000 . 1 . . . . 125 LEU HN . 17640 1 784 . 1 1 125 125 LEU HA H 1 5.1100 0.0000 . 1 . . . . 125 LEU HA . 17640 1 785 . 1 1 125 125 LEU HB2 H 1 1.8100 0.0000 . 2 . . . . 125 LEU HB1 . 17640 1 786 . 1 1 125 125 LEU HB3 H 1 1.4320 0.0000 . 2 . . . . 125 LEU HB2 . 17640 1 787 . 1 1 125 125 LEU HG H 1 2.1450 0.0000 . 1 . . . . 125 LEU HG . 17640 1 788 . 1 1 125 125 LEU HD11 H 1 0.9720 0.0000 . 2 . . . . 125 LEU HD11 . 17640 1 789 . 1 1 125 125 LEU HD12 H 1 0.9720 0.0000 . 2 . . . . 125 LEU HD11 . 17640 1 790 . 1 1 125 125 LEU HD13 H 1 0.9720 0.0000 . 2 . . . . 125 LEU HD11 . 17640 1 791 . 1 1 125 125 LEU CA C 13 52.6720 0.0000 . 1 . . . . 125 LEU CA . 17640 1 792 . 1 1 125 125 LEU CB C 13 45.6720 0.0000 . 1 . . . . 125 LEU CB . 17640 1 793 . 1 1 125 125 LEU CG C 13 21.2070 0.0000 . 1 . . . . 125 LEU CG . 17640 1 794 . 1 1 125 125 LEU CD1 C 13 23.2630 0.0000 . 2 . . . . 125 LEU CD1 . 17640 1 795 . 1 1 125 125 LEU CD2 C 13 26.9650 0.0000 . 2 . . . . 125 LEU CD2 . 17640 1 796 . 1 1 125 125 LEU N N 15 124.6460 0.0000 . 1 . . . . 125 LEU N . 17640 1 797 . 1 1 126 126 GLY H H 1 9.3420 0.0000 . 1 . . . . 126 GLY HN . 17640 1 798 . 1 1 126 126 GLY HA2 H 1 6.0700 0.0000 . 2 . . . . 126 GLY HA1 . 17640 1 799 . 1 1 126 126 GLY HA3 H 1 3.4600 0.0000 . 2 . . . . 126 GLY HA2 . 17640 1 800 . 1 1 126 126 GLY CA C 13 44.1980 0.0000 . 1 . . . . 126 GLY CA . 17640 1 801 . 1 1 126 126 GLY N N 15 113.3450 0.0000 . 1 . . . . 126 GLY N . 17640 1 802 . 1 1 127 127 SER H H 1 9.1840 0.0000 . 1 . . . . 127 SER HN . 17640 1 803 . 1 1 127 127 SER HA H 1 5.7370 0.0000 . 1 . . . . 127 SER HA . 17640 1 804 . 1 1 127 127 SER CA C 13 56.0750 0.0000 . 1 . . . . 127 SER CA . 17640 1 805 . 1 1 127 127 SER CB C 13 65.5350 0.0000 . 1 . . . . 127 SER CB . 17640 1 806 . 1 1 127 127 SER N N 15 115.8520 0.0000 . 1 . . . . 127 SER N . 17640 1 807 . 1 1 128 128 GLN H H 1 8.6510 0.0000 . 1 . . . . 128 GLN HN . 17640 1 808 . 1 1 128 128 GLN HA H 1 4.8570 0.0000 . 1 . . . . 128 GLN HA . 17640 1 809 . 1 1 128 128 GLN CA C 13 57.9530 0.0000 . 1 . . . . 128 GLN CA . 17640 1 810 . 1 1 128 128 GLN CB C 13 28.5930 0.0000 . 1 . . . . 128 GLN CB . 17640 1 811 . 1 1 128 128 GLN N N 15 124.7950 0.0000 . 1 . . . . 128 GLN N . 17640 1 812 . 1 1 129 129 VAL H H 1 7.6030 0.0000 . 1 . . . . 129 VAL HN . 17640 1 813 . 1 1 129 129 VAL HA H 1 4.0950 0.0000 . 1 . . . . 129 VAL HA . 17640 1 814 . 1 1 129 129 VAL HB H 1 1.9310 0.0000 . 1 . . . . 129 VAL HB . 17640 1 815 . 1 1 129 129 VAL HG11 H 1 0.8670 0.0000 . 2 . . . . 129 VAL HG11 . 17640 1 816 . 1 1 129 129 VAL HG12 H 1 0.8670 0.0000 . 2 . . . . 129 VAL HG11 . 17640 1 817 . 1 1 129 129 VAL HG13 H 1 0.8670 0.0000 . 2 . . . . 129 VAL HG11 . 17640 1 818 . 1 1 129 129 VAL HG21 H 1 0.8440 0.0000 . 2 . . . . 129 VAL HG21 . 17640 1 819 . 1 1 129 129 VAL HG22 H 1 0.8440 0.0000 . 2 . . . . 129 VAL HG21 . 17640 1 820 . 1 1 129 129 VAL HG23 H 1 0.8440 0.0000 . 2 . . . . 129 VAL HG21 . 17640 1 821 . 1 1 129 129 VAL CA C 13 60.7400 0.0000 . 1 . . . . 129 VAL CA . 17640 1 822 . 1 1 129 129 VAL CB C 13 36.4830 0.0000 . 1 . . . . 129 VAL CB . 17640 1 823 . 1 1 129 129 VAL CG1 C 13 21.9160 0.0000 . 2 . . . . 129 VAL CG1 . 17640 1 824 . 1 1 129 129 VAL CG2 C 13 20.7980 0.0000 . 2 . . . . 129 VAL CG2 . 17640 1 825 . 1 1 129 129 VAL N N 15 121.8340 0.0000 . 1 . . . . 129 VAL N . 17640 1 826 . 1 1 130 130 GLU H H 1 8.6950 0.0000 . 1 . . . . 130 GLU HN . 17640 1 827 . 1 1 130 130 GLU HA H 1 4.8680 0.0000 . 1 . . . . 130 GLU HA . 17640 1 828 . 1 1 130 130 GLU CA C 13 56.1250 0.0000 . 1 . . . . 130 GLU CA . 17640 1 829 . 1 1 130 130 GLU CB C 13 28.7070 0.0000 . 1 . . . . 130 GLU CB . 17640 1 830 . 1 1 130 130 GLU N N 15 127.5940 0.0000 . 1 . . . . 130 GLU N . 17640 1 831 . 1 1 131 131 VAL H H 1 8.8420 0.0000 . 1 . . . . 131 VAL HN . 17640 1 832 . 1 1 131 131 VAL HA H 1 4.3490 0.0000 . 1 . . . . 131 VAL HA . 17640 1 833 . 1 1 131 131 VAL HB H 1 1.9360 0.0000 . 1 . . . . 131 VAL HB . 17640 1 834 . 1 1 131 131 VAL HG11 H 1 0.7440 0.0000 . 2 . . . . 131 VAL HG11 . 17640 1 835 . 1 1 131 131 VAL HG12 H 1 0.7440 0.0000 . 2 . . . . 131 VAL HG11 . 17640 1 836 . 1 1 131 131 VAL HG13 H 1 0.7440 0.0000 . 2 . . . . 131 VAL HG11 . 17640 1 837 . 1 1 131 131 VAL HG21 H 1 0.8340 0.0000 . 2 . . . . 131 VAL HG21 . 17640 1 838 . 1 1 131 131 VAL HG22 H 1 0.8340 0.0000 . 2 . . . . 131 VAL HG21 . 17640 1 839 . 1 1 131 131 VAL HG23 H 1 0.8340 0.0000 . 2 . . . . 131 VAL HG21 . 17640 1 840 . 1 1 131 131 VAL CA C 13 60.2780 0.0000 . 1 . . . . 131 VAL CA . 17640 1 841 . 1 1 131 131 VAL CB C 13 32.3560 0.0000 . 1 . . . . 131 VAL CB . 17640 1 842 . 1 1 131 131 VAL CG1 C 13 20.3790 0.0000 . 2 . . . . 131 VAL CG1 . 17640 1 843 . 1 1 131 131 VAL CG2 C 13 21.9160 0.0000 . 2 . . . . 131 VAL CG2 . 17640 1 844 . 1 1 131 131 VAL N N 15 125.8670 0.0000 . 1 . . . . 131 VAL N . 17640 1 845 . 1 1 132 132 ASP H H 1 8.0730 0.0000 . 1 . . . . 132 ASP HN . 17640 1 846 . 1 1 132 132 ASP HA H 1 4.6230 0.0000 . 1 . . . . 132 ASP HA . 17640 1 847 . 1 1 132 132 ASP HB2 H 1 2.7760 0.0000 . 2 . . . . 132 ASP HB1 . 17640 1 848 . 1 1 132 132 ASP HB3 H 1 2.6090 0.0000 . 2 . . . . 132 ASP HB2 . 17640 1 849 . 1 1 132 132 ASP CA C 13 53.8290 0.0000 . 1 . . . . 132 ASP CA . 17640 1 850 . 1 1 132 132 ASP CB C 13 41.3450 0.0000 . 1 . . . . 132 ASP CB . 17640 1 851 . 1 1 132 132 ASP N N 15 125.0460 0.0000 . 1 . . . . 132 ASP N . 17640 1 852 . 1 1 133 133 ASP H H 1 8.7680 0.0000 . 1 . . . . 133 ASP HN . 17640 1 853 . 1 1 133 133 ASP HA H 1 4.4670 0.0000 . 1 . . . . 133 ASP HA . 17640 1 854 . 1 1 133 133 ASP HB2 H 1 2.6560 0.0000 . 2 . . . . 133 ASP HB1 . 17640 1 855 . 1 1 133 133 ASP HB3 H 1 2.6210 0.0000 . 2 . . . . 133 ASP HB2 . 17640 1 856 . 1 1 133 133 ASP CA C 13 55.5110 0.0000 . 1 . . . . 133 ASP CA . 17640 1 857 . 1 1 133 133 ASP CB C 13 40.5840 0.0000 . 1 . . . . 133 ASP CB . 17640 1 858 . 1 1 133 133 ASP N N 15 123.3160 0.0000 . 1 . . . . 133 ASP N . 17640 1 859 . 1 1 134 134 ASP H H 1 8.4890 0.0000 . 1 . . . . 134 ASP HN . 17640 1 860 . 1 1 134 134 ASP HA H 1 4.5960 0.0000 . 1 . . . . 134 ASP HA . 17640 1 861 . 1 1 134 134 ASP HB2 H 1 2.7130 0.0000 . 2 . . . . 134 ASP HB1 . 17640 1 862 . 1 1 134 134 ASP CA C 13 54.2980 0.0000 . 1 . . . . 134 ASP CA . 17640 1 863 . 1 1 134 134 ASP CB C 13 40.2090 0.0000 . 1 . . . . 134 ASP CB . 17640 1 864 . 1 1 134 134 ASP N N 15 117.1600 0.0000 . 1 . . . . 134 ASP N . 17640 1 865 . 1 1 135 135 GLN H H 1 7.6730 0.0000 . 1 . . . . 135 GLN HN . 17640 1 866 . 1 1 135 135 GLN HB2 H 1 2.1320 0.0000 . 2 . . . . 135 GLN HB1 . 17640 1 867 . 1 1 135 135 GLN HB3 H 1 1.9260 0.0000 . 2 . . . . 135 GLN HB2 . 17640 1 868 . 1 1 135 135 GLN HG2 H 1 2.3200 0.0000 . 2 . . . . 135 GLN HG1 . 17640 1 869 . 1 1 135 135 GLN HG3 H 1 2.2460 0.0000 . 2 . . . . 135 GLN HG2 . 17640 1 870 . 1 1 135 135 GLN CA C 13 53.0240 0.0000 . 1 . . . . 135 GLN CA . 17640 1 871 . 1 1 135 135 GLN CB C 13 28.9590 0.0000 . 1 . . . . 135 GLN CB . 17640 1 872 . 1 1 135 135 GLN CG C 13 33.5330 0.0000 . 1 . . . . 135 GLN CG . 17640 1 873 . 1 1 135 135 GLN N N 15 118.4910 0.0000 . 1 . . . . 135 GLN N . 17640 1 874 . 1 1 144 144 GLU CA C 13 45.1660 0.0000 . 1 . . . . 144 GLU CA . 17640 1 875 . 1 1 145 145 ARG H H 1 8.0880 0.0000 . 1 . . . . 145 ARG HN . 17640 1 876 . 1 1 145 145 ARG CA C 13 58.4230 0.0000 . 1 . . . . 145 ARG CA . 17640 1 877 . 1 1 145 145 ARG CB C 13 29.1440 0.0000 . 1 . . . . 145 ARG CB . 17640 1 878 . 1 1 145 145 ARG N N 15 119.4390 0.0000 . 1 . . . . 145 ARG N . 17640 1 879 . 1 1 146 146 ALA H H 1 7.8270 0.0000 . 1 . . . . 146 ALA HN . 17640 1 880 . 1 1 146 146 ALA HA H 1 4.0390 0.0000 . 1 . . . . 146 ALA HA . 17640 1 881 . 1 1 146 146 ALA HB1 H 1 1.7160 0.0000 . 1 . . . . 146 ALA HB1 . 17640 1 882 . 1 1 146 146 ALA HB2 H 1 1.7160 0.0000 . 1 . . . . 146 ALA HB1 . 17640 1 883 . 1 1 146 146 ALA HB3 H 1 1.7160 0.0000 . 1 . . . . 146 ALA HB1 . 17640 1 884 . 1 1 146 146 ALA CA C 13 55.0370 0.0000 . 1 . . . . 146 ALA CA . 17640 1 885 . 1 1 146 146 ALA CB C 13 18.2600 0.0000 . 1 . . . . 146 ALA CB . 17640 1 886 . 1 1 146 146 ALA N N 15 122.1480 0.0000 . 1 . . . . 146 ALA N . 17640 1 887 . 1 1 147 147 ALA H H 1 8.2360 0.0000 . 1 . . . . 147 ALA HN . 17640 1 888 . 1 1 147 147 ALA HA H 1 3.9460 0.0000 . 1 . . . . 147 ALA HA . 17640 1 889 . 1 1 147 147 ALA HB1 H 1 1.5560 0.0000 . 1 . . . . 147 ALA HB1 . 17640 1 890 . 1 1 147 147 ALA HB2 H 1 1.5560 0.0000 . 1 . . . . 147 ALA HB1 . 17640 1 891 . 1 1 147 147 ALA HB3 H 1 1.5560 0.0000 . 1 . . . . 147 ALA HB1 . 17640 1 892 . 1 1 147 147 ALA CA C 13 54.9530 0.0000 . 1 . . . . 147 ALA CA . 17640 1 893 . 1 1 147 147 ALA CB C 13 17.1400 0.0000 . 1 . . . . 147 ALA CB . 17640 1 894 . 1 1 147 147 ALA N N 15 118.7000 0.0000 . 1 . . . . 147 ALA N . 17640 1 895 . 1 1 148 148 GLU H H 1 8.0370 0.0000 . 1 . . . . 148 GLU HN . 17640 1 896 . 1 1 148 148 GLU CA C 13 58.6800 0.0000 . 1 . . . . 148 GLU CA . 17640 1 897 . 1 1 148 148 GLU CB C 13 28.5290 0.0000 . 1 . . . . 148 GLU CB . 17640 1 898 . 1 1 148 148 GLU N N 15 117.3500 0.0000 . 1 . . . . 148 GLU N . 17640 1 899 . 1 1 150 150 LEU CA C 13 57.0900 0.0000 . 1 . . . . 150 LEU CA . 17640 1 900 . 1 1 150 150 LEU CB C 13 39.4900 0.0000 . 1 . . . . 150 LEU CB . 17640 1 901 . 1 1 150 150 LEU CD1 C 13 26.1050 0.0000 . 2 . . . . 150 LEU CD1 . 17640 1 902 . 1 1 150 150 LEU CD2 C 13 23.1160 0.0000 . 2 . . . . 150 LEU CD2 . 17640 1 903 . 1 1 151 151 LYS H H 1 7.5000 0.0000 . 1 . . . . 151 LYS HN . 17640 1 904 . 1 1 151 151 LYS HA H 1 4.1590 0.0000 . 1 . . . . 151 LYS HA . 17640 1 905 . 1 1 151 151 LYS CA C 13 58.1080 0.0000 . 1 . . . . 151 LYS CA . 17640 1 906 . 1 1 151 151 LYS CB C 13 31.6210 0.0000 . 1 . . . . 151 LYS CB . 17640 1 907 . 1 1 151 151 LYS N N 15 117.1110 0.0000 . 1 . . . . 151 LYS N . 17640 1 908 . 1 1 152 152 THR H H 1 7.4020 0.0000 . 1 . . . . 152 THR HN . 17640 1 909 . 1 1 152 152 THR HA H 1 4.3160 0.0000 . 1 . . . . 152 THR HA . 17640 1 910 . 1 1 152 152 THR HB H 1 4.3550 0.0000 . 1 . . . . 152 THR HB . 17640 1 911 . 1 1 152 152 THR HG21 H 1 4.3570 0.0000 . 1 . . . . 152 THR HG21 . 17640 1 912 . 1 1 152 152 THR HG22 H 1 4.3570 0.0000 . 1 . . . . 152 THR HG21 . 17640 1 913 . 1 1 152 152 THR HG23 H 1 4.3570 0.0000 . 1 . . . . 152 THR HG21 . 17640 1 914 . 1 1 152 152 THR CA C 13 62.2180 0.0000 . 1 . . . . 152 THR CA . 17640 1 915 . 1 1 152 152 THR CB C 13 69.3530 0.0000 . 1 . . . . 152 THR CB . 17640 1 916 . 1 1 152 152 THR CG2 C 13 22.1850 0.0000 . 1 . . . . 152 THR CG2 . 17640 1 917 . 1 1 152 152 THR N N 15 107.1960 0.0000 . 1 . . . . 152 THR N . 17640 1 918 . 1 1 153 153 LEU H H 1 7.2890 0.0000 . 1 . . . . 153 LEU HN . 17640 1 919 . 1 1 153 153 LEU HA H 1 4.3580 0.0000 . 1 . . . . 153 LEU HA . 17640 1 920 . 1 1 153 153 LEU HB2 H 1 1.9480 0.0000 . 2 . . . . 153 LEU HB1 . 17640 1 921 . 1 1 153 153 LEU HB3 H 1 1.9140 0.0000 . 2 . . . . 153 LEU HB2 . 17640 1 922 . 1 1 153 153 LEU CA C 13 53.9590 0.0000 . 1 . . . . 153 LEU CA . 17640 1 923 . 1 1 153 153 LEU CB C 13 40.6570 0.0000 . 1 . . . . 153 LEU CB . 17640 1 924 . 1 1 153 153 LEU CD1 C 13 26.4720 0.0000 . 2 . . . . 153 LEU CD1 . 17640 1 925 . 1 1 153 153 LEU CD2 C 13 22.1120 0.0000 . 2 . . . . 153 LEU CD2 . 17640 1 926 . 1 1 153 153 LEU N N 15 120.6340 0.0000 . 1 . . . . 153 LEU N . 17640 1 927 . 1 1 154 154 SER H H 1 8.3840 0.0000 . 1 . . . . 154 SER HN . 17640 1 928 . 1 1 154 154 SER CA C 13 56.2240 0.0000 . 1 . . . . 154 SER CA . 17640 1 929 . 1 1 154 154 SER CB C 13 62.0100 0.0000 . 1 . . . . 154 SER CB . 17640 1 930 . 1 1 154 154 SER N N 15 118.3460 0.0000 . 1 . . . . 154 SER N . 17640 1 931 . 1 1 155 155 PRO CA C 13 56.5270 0.0000 . 1 . . . . 155 PRO CA . 17640 1 932 . 1 1 156 156 ARG H H 1 8.1020 0.0000 . 1 . . . . 156 ARG HN . 17640 1 933 . 1 1 156 156 ARG CA C 13 57.4170 0.0000 . 1 . . . . 156 ARG CA . 17640 1 934 . 1 1 156 156 ARG CB C 13 28.3660 0.0000 . 1 . . . . 156 ARG CB . 17640 1 935 . 1 1 156 156 ARG N N 15 121.4610 0.0000 . 1 . . . . 156 ARG N . 17640 1 936 . 1 1 157 157 GLN H H 1 7.4600 0.0000 . 1 . . . . 157 GLN HN . 17640 1 937 . 1 1 157 157 GLN CA C 13 58.7110 0.0000 . 1 . . . . 157 GLN CA . 17640 1 938 . 1 1 157 157 GLN CB C 13 27.3480 0.0000 . 1 . . . . 157 GLN CB . 17640 1 939 . 1 1 157 157 GLN N N 15 117.4910 0.0000 . 1 . . . . 157 GLN N . 17640 1 940 . 1 1 158 158 LEU H H 1 8.9510 0.0000 . 1 . . . . 158 LEU HN . 17640 1 941 . 1 1 158 158 LEU HA H 1 3.9590 0.0000 . 1 . . . . 158 LEU HA . 17640 1 942 . 1 1 158 158 LEU CA C 13 58.2940 0.0000 . 1 . . . . 158 LEU CA . 17640 1 943 . 1 1 158 158 LEU CD1 C 13 24.9100 0.0000 . 2 . . . . 158 LEU CD1 . 17640 1 944 . 1 1 158 158 LEU CD2 C 13 23.9390 0.0000 . 2 . . . . 158 LEU CD2 . 17640 1 945 . 1 1 158 158 LEU N N 15 123.5530 0.0000 . 1 . . . . 158 LEU N . 17640 1 946 . 1 1 159 159 GLU H H 1 8.1610 0.0000 . 1 . . . . 159 GLU HN . 17640 1 947 . 1 1 159 159 GLU CA C 13 59.4570 0.0000 . 1 . . . . 159 GLU CA . 17640 1 948 . 1 1 159 159 GLU CB C 13 29.2490 0.0000 . 1 . . . . 159 GLU CB . 17640 1 949 . 1 1 159 159 GLU N N 15 121.9590 0.0000 . 1 . . . . 159 GLU N . 17640 1 950 . 1 1 160 160 VAL H H 1 7.8360 0.0000 . 1 . . . . 160 VAL HN . 17640 1 951 . 1 1 160 160 VAL CA C 13 66.6570 0.0000 . 1 . . . . 160 VAL CA . 17640 1 952 . 1 1 160 160 VAL CG1 C 13 21.1450 0.0000 . 2 . . . . 160 VAL CG1 . 17640 1 953 . 1 1 160 160 VAL CG2 C 13 22.9930 0.0000 . 2 . . . . 160 VAL CG2 . 17640 1 954 . 1 1 160 160 VAL N N 15 116.6380 0.0000 . 1 . . . . 160 VAL N . 17640 1 955 . 1 1 161 161 THR H H 1 7.9540 0.0000 . 1 . . . . 161 THR HN . 17640 1 956 . 1 1 161 161 THR CA C 13 68.2560 0.0000 . 1 . . . . 161 THR CA . 17640 1 957 . 1 1 161 161 THR CB C 13 -939.2800 0.0000 . 1 . . . . 161 THR CB . 17640 1 958 . 1 1 161 161 THR N N 15 115.4950 0.0000 . 1 . . . . 161 THR N . 17640 1 959 . 1 1 162 162 THR H H 1 8.4890 0.0000 . 1 . . . . 162 THR HN . 17640 1 960 . 1 1 162 162 THR CA C 13 66.1480 0.0000 . 1 . . . . 162 THR CA . 17640 1 961 . 1 1 162 162 THR CB C 13 68.4290 0.0000 . 1 . . . . 162 THR CB . 17640 1 962 . 1 1 162 162 THR N N 15 115.0230 0.0000 . 1 . . . . 162 THR N . 17640 1 963 . 1 1 163 163 LEU H H 1 7.6830 0.0000 . 1 . . . . 163 LEU HN . 17640 1 964 . 1 1 163 163 LEU HA H 1 4.1930 0.0000 . 1 . . . . 163 LEU HA . 17640 1 965 . 1 1 163 163 LEU HB2 H 1 1.9620 0.0000 . 2 . . . . 163 LEU HB1 . 17640 1 966 . 1 1 163 163 LEU HB3 H 1 1.4080 0.0000 . 2 . . . . 163 LEU HB2 . 17640 1 967 . 1 1 163 163 LEU CA C 13 57.2680 0.0000 . 1 . . . . 163 LEU CA . 17640 1 968 . 1 1 163 163 LEU CB C 13 18.8750 0.0000 . 1 . . . . 163 LEU CB . 17640 1 969 . 1 1 163 163 LEU CD1 C 13 26.6830 0.0000 . 2 . . . . 163 LEU CD1 . 17640 1 970 . 1 1 163 163 LEU CD2 C 13 22.2310 0.0000 . 2 . . . . 163 LEU CD2 . 17640 1 971 . 1 1 163 163 LEU N N 15 121.3380 0.0000 . 1 . . . . 163 LEU N . 17640 1 972 . 1 1 164 164 VAL H H 1 8.5650 0.0000 . 1 . . . . 164 VAL HN . 17640 1 973 . 1 1 164 164 VAL HA H 1 3.7820 0.0000 . 1 . . . . 164 VAL HA . 17640 1 974 . 1 1 164 164 VAL HB H 1 2.1790 0.0000 . 1 . . . . 164 VAL HB . 17640 1 975 . 1 1 164 164 VAL HG11 H 1 1.0170 0.0000 . 2 . . . . 164 VAL HG11 . 17640 1 976 . 1 1 164 164 VAL HG12 H 1 1.0170 0.0000 . 2 . . . . 164 VAL HG11 . 17640 1 977 . 1 1 164 164 VAL HG13 H 1 1.0170 0.0000 . 2 . . . . 164 VAL HG11 . 17640 1 978 . 1 1 164 164 VAL HG21 H 1 0.8920 0.0000 . 2 . . . . 164 VAL HG21 . 17640 1 979 . 1 1 164 164 VAL HG22 H 1 0.8920 0.0000 . 2 . . . . 164 VAL HG21 . 17640 1 980 . 1 1 164 164 VAL HG23 H 1 0.8920 0.0000 . 2 . . . . 164 VAL HG21 . 17640 1 981 . 1 1 164 164 VAL CA C 13 65.9970 0.0000 . 1 . . . . 164 VAL CA . 17640 1 982 . 1 1 164 164 VAL CB C 13 31.9550 0.0000 . 1 . . . . 164 VAL CB . 17640 1 983 . 1 1 164 164 VAL CG1 C 13 22.7650 0.0000 . 2 . . . . 164 VAL CG1 . 17640 1 984 . 1 1 164 164 VAL CG2 C 13 20.7030 0.0000 . 2 . . . . 164 VAL CG2 . 17640 1 985 . 1 1 164 164 VAL N N 15 121.4640 0.0000 . 1 . . . . 164 VAL N . 17640 1 986 . 1 1 165 165 ALA H H 1 8.3060 0.0000 . 1 . . . . 165 ALA HN . 17640 1 987 . 1 1 165 165 ALA HA H 1 4.1160 0.0000 . 1 . . . . 165 ALA HA . 17640 1 988 . 1 1 165 165 ALA HB1 H 1 1.4290 0.0000 . 1 . . . . 165 ALA HB1 . 17640 1 989 . 1 1 165 165 ALA HB2 H 1 1.4290 0.0000 . 1 . . . . 165 ALA HB1 . 17640 1 990 . 1 1 165 165 ALA HB3 H 1 1.4290 0.0000 . 1 . . . . 165 ALA HB1 . 17640 1 991 . 1 1 165 165 ALA CA C 13 53.6080 0.0000 . 1 . . . . 165 ALA CA . 17640 1 992 . 1 1 165 165 ALA CB C 13 18.3630 0.0000 . 1 . . . . 165 ALA CB . 17640 1 993 . 1 1 165 165 ALA N N 15 121.5570 0.0000 . 1 . . . . 165 ALA N . 17640 1 994 . 1 1 166 166 SER H H 1 7.3750 0.0000 . 1 . . . . 166 SER HN . 17640 1 995 . 1 1 166 166 SER HA H 1 4.3310 0.0000 . 1 . . . . 166 SER HA . 17640 1 996 . 1 1 166 166 SER HB2 H 1 4.1200 0.0000 . 2 . . . . 166 SER HB1 . 17640 1 997 . 1 1 166 166 SER HB3 H 1 4.0600 0.0000 . 2 . . . . 166 SER HB2 . 17640 1 998 . 1 1 166 166 SER CA C 13 59.2880 0.0000 . 1 . . . . 166 SER CA . 17640 1 999 . 1 1 166 166 SER CB C 13 63.4490 0.0000 . 1 . . . . 166 SER CB . 17640 1 1000 . 1 1 166 166 SER N N 15 109.6050 0.0000 . 1 . . . . 166 SER N . 17640 1 1001 . 1 1 167 167 GLY H H 1 8.1400 0.0000 . 1 . . . . 167 GLY HN . 17640 1 1002 . 1 1 167 167 GLY CA C 13 45.3570 0.0000 . 1 . . . . 167 GLY CA . 17640 1 1003 . 1 1 167 167 GLY N N 15 108.3780 0.0000 . 1 . . . . 167 GLY N . 17640 1 1004 . 1 1 168 168 LEU H H 1 6.9350 0.0000 . 1 . . . . 168 LEU HN . 17640 1 1005 . 1 1 168 168 LEU CA C 13 54.0680 0.0000 . 1 . . . . 168 LEU CA . 17640 1 1006 . 1 1 168 168 LEU CB C 13 42.6130 0.0000 . 1 . . . . 168 LEU CB . 17640 1 1007 . 1 1 168 168 LEU CD1 C 13 25.7450 0.0000 . 2 . . . . 168 LEU CD1 . 17640 1 1008 . 1 1 168 168 LEU CD2 C 13 22.8660 0.0000 . 2 . . . . 168 LEU CD2 . 17640 1 1009 . 1 1 168 168 LEU N N 15 119.2070 0.0000 . 1 . . . . 168 LEU N . 17640 1 1010 . 1 1 169 169 ARG H H 1 8.5380 0.0000 . 1 . . . . 169 ARG HN . 17640 1 1011 . 1 1 169 169 ARG CA C 13 55.3540 0.0000 . 1 . . . . 169 ARG CA . 17640 1 1012 . 1 1 169 169 ARG CB C 13 42.5800 0.0000 . 1 . . . . 169 ARG CB . 17640 1 1013 . 1 1 169 169 ARG N N 15 119.3280 0.0000 . 1 . . . . 169 ARG N . 17640 1 1014 . 1 1 172 172 GLU H H 1 7.8770 0.0000 . 1 . . . . 172 GLU HN . 17640 1 1015 . 1 1 172 172 GLU N N 15 114.5390 0.0000 . 1 . . . . 172 GLU N . 17640 1 1016 . 1 1 173 173 VAL H H 1 8.2980 0.0000 . 1 . . . . 173 VAL HN . 17640 1 1017 . 1 1 173 173 VAL CG1 C 13 22.9870 0.0000 . 2 . . . . 173 VAL CG1 . 17640 1 1018 . 1 1 173 173 VAL N N 15 108.9130 0.0000 . 1 . . . . 173 VAL N . 17640 1 1019 . 1 1 174 174 ALA H H 1 8.1880 0.0000 . 1 . . . . 174 ALA HN . 17640 1 1020 . 1 1 174 174 ALA CA C 13 55.3760 0.0000 . 1 . . . . 174 ALA CA . 17640 1 1021 . 1 1 174 174 ALA CB C 13 16.6680 0.0000 . 1 . . . . 174 ALA CB . 17640 1 1022 . 1 1 174 174 ALA N N 15 119.2910 0.0000 . 1 . . . . 174 ALA N . 17640 1 1023 . 1 1 175 175 ALA H H 1 7.4300 0.0000 . 1 . . . . 175 ALA HN . 17640 1 1024 . 1 1 175 175 ALA HA H 1 4.1100 0.0000 . 1 . . . . 175 ALA HA . 17640 1 1025 . 1 1 175 175 ALA HB1 H 1 1.4900 0.0000 . 1 . . . . 175 ALA HB1 . 17640 1 1026 . 1 1 175 175 ALA HB2 H 1 1.4900 0.0000 . 1 . . . . 175 ALA HB1 . 17640 1 1027 . 1 1 175 175 ALA HB3 H 1 1.4900 0.0000 . 1 . . . . 175 ALA HB1 . 17640 1 1028 . 1 1 175 175 ALA CA C 13 54.4010 0.0000 . 1 . . . . 175 ALA CA . 17640 1 1029 . 1 1 175 175 ALA CB C 13 18.1910 0.0000 . 1 . . . . 175 ALA CB . 17640 1 1030 . 1 1 175 175 ALA N N 15 118.5340 0.0000 . 1 . . . . 175 ALA N . 17640 1 1031 . 1 1 176 176 ARG H H 1 7.9700 0.0000 . 1 . . . . 176 ARG HN . 17640 1 1032 . 1 1 176 176 ARG HA H 1 4.0230 0.0000 . 1 . . . . 176 ARG HA . 17640 1 1033 . 1 1 176 176 ARG HB2 H 1 1.8200 0.0000 . 2 . . . . 176 ARG HB1 . 17640 1 1034 . 1 1 176 176 ARG HB3 H 1 1.7040 0.0000 . 2 . . . . 176 ARG HB2 . 17640 1 1035 . 1 1 176 176 ARG HD2 H 1 3.1370 0.0000 . 2 . . . . 176 ARG HD1 . 17640 1 1036 . 1 1 176 176 ARG HD3 H 1 3.0510 0.0000 . 2 . . . . 176 ARG HD2 . 17640 1 1037 . 1 1 176 176 ARG CA C 13 57.8480 0.0000 . 1 . . . . 176 ARG CA . 17640 1 1038 . 1 1 176 176 ARG CB C 13 28.9720 0.0000 . 1 . . . . 176 ARG CB . 17640 1 1039 . 1 1 176 176 ARG CD C 13 18.9350 0.0000 . 1 . . . . 176 ARG CD . 17640 1 1040 . 1 1 176 176 ARG N N 15 117.1990 0.0000 . 1 . . . . 176 ARG N . 17640 1 1041 . 1 1 177 177 LEU H H 1 7.6360 0.0000 . 1 . . . . 177 LEU HN . 17640 1 1042 . 1 1 177 177 LEU CA C 13 53.9400 0.0000 . 1 . . . . 177 LEU CA . 17640 1 1043 . 1 1 177 177 LEU CB C 13 41.9790 0.0000 . 1 . . . . 177 LEU CB . 17640 1 1044 . 1 1 177 177 LEU CD1 C 13 27.1610 0.0000 . 2 . . . . 177 LEU CD1 . 17640 1 1045 . 1 1 177 177 LEU CD2 C 13 21.8780 0.0000 . 2 . . . . 177 LEU CD2 . 17640 1 1046 . 1 1 177 177 LEU N N 15 114.3880 0.0000 . 1 . . . . 177 LEU N . 17640 1 1047 . 1 1 178 178 GLY H H 1 7.8760 0.0000 . 1 . . . . 178 GLY HN . 17640 1 1048 . 1 1 178 178 GLY HA2 H 1 3.9260 0.0000 . 2 . . . . 178 GLY HA1 . 17640 1 1049 . 1 1 178 178 GLY HA3 H 1 3.8880 0.0000 . 2 . . . . 178 GLY HA2 . 17640 1 1050 . 1 1 178 178 GLY CA C 13 46.2690 0.0000 . 1 . . . . 178 GLY CA . 17640 1 1051 . 1 1 178 178 GLY N N 15 109.9590 0.0000 . 1 . . . . 178 GLY N . 17640 1 1052 . 1 1 179 179 LEU H H 1 7.9960 0.0000 . 1 . . . . 179 LEU HN . 17640 1 1053 . 1 1 179 179 LEU HA H 1 3.9630 0.0000 . 1 . . . . 179 LEU HA . 17640 1 1054 . 1 1 179 179 LEU HB2 H 1 1.7540 0.0000 . 2 . . . . 179 LEU HB1 . 17640 1 1055 . 1 1 179 179 LEU HB3 H 1 1.5360 0.0000 . 2 . . . . 179 LEU HB2 . 17640 1 1056 . 1 1 179 179 LEU CA C 13 57.0130 0.0000 . 1 . . . . 179 LEU CA . 17640 1 1057 . 1 1 179 179 LEU CB C 13 39.3660 0.0000 . 1 . . . . 179 LEU CB . 17640 1 1058 . 1 1 179 179 LEU CD1 C 13 25.7170 0.0000 . 2 . . . . 179 LEU CD1 . 17640 1 1059 . 1 1 179 179 LEU CD2 C 13 22.4760 0.0000 . 2 . . . . 179 LEU CD2 . 17640 1 1060 . 1 1 179 179 LEU N N 15 118.5190 0.0000 . 1 . . . . 179 LEU N . 17640 1 1061 . 1 1 180 180 SER H H 1 8.3350 0.0000 . 1 . . . . 180 SER HN . 17640 1 1062 . 1 1 180 180 SER HA H 1 4.5990 0.0000 . 1 . . . . 180 SER HA . 17640 1 1063 . 1 1 180 180 SER HB2 H 1 4.3000 0.0000 . 2 . . . . 180 SER HB1 . 17640 1 1064 . 1 1 180 180 SER HB3 H 1 3.9980 0.0000 . 2 . . . . 180 SER HB2 . 17640 1 1065 . 1 1 180 180 SER CA C 13 56.4990 0.0000 . 1 . . . . 180 SER CA . 17640 1 1066 . 1 1 180 180 SER CB C 13 64.4240 0.0000 . 1 . . . . 180 SER CB . 17640 1 1067 . 1 1 180 180 SER N N 15 113.8540 0.0000 . 1 . . . . 180 SER N . 17640 1 1068 . 1 1 181 181 GLU H H 1 9.2190 0.0000 . 1 . . . . 181 GLU HN . 17640 1 1069 . 1 1 181 181 GLU HA H 1 3.5900 0.0000 . 1 . . . . 181 GLU HA . 17640 1 1070 . 1 1 181 181 GLU HB2 H 1 1.9500 0.0000 . 2 . . . . 181 GLU HB1 . 17640 1 1071 . 1 1 181 181 GLU CA C 13 60.4430 0.0000 . 1 . . . . 181 GLU CA . 17640 1 1072 . 1 1 181 181 GLU CB C 13 28.7550 0.0000 . 1 . . . . 181 GLU CB . 17640 1 1073 . 1 1 181 181 GLU N N 15 122.7110 0.0000 . 1 . . . . 181 GLU N . 17640 1 1074 . 1 1 182 182 LYS H H 1 8.3350 0.0000 . 1 . . . . 182 LYS HN . 17640 1 1075 . 1 1 182 182 LYS HA H 1 3.8930 0.0000 . 1 . . . . 182 LYS HA . 17640 1 1076 . 1 1 182 182 LYS HB2 H 1 1.8250 0.0000 . 2 . . . . 182 LYS HB1 . 17640 1 1077 . 1 1 182 182 LYS HB3 H 1 1.7230 0.0000 . 2 . . . . 182 LYS HB2 . 17640 1 1078 . 1 1 182 182 LYS CA C 13 59.1920 0.0000 . 1 . . . . 182 LYS CA . 17640 1 1079 . 1 1 182 182 LYS CB C 13 31.3300 0.0000 . 1 . . . . 182 LYS CB . 17640 1 1080 . 1 1 182 182 LYS N N 15 118.5020 0.0000 . 1 . . . . 182 LYS N . 17640 1 1081 . 1 1 183 183 THR H H 1 7.9810 0.0000 . 1 . . . . 183 THR HN . 17640 1 1082 . 1 1 183 183 THR CA C 13 65.8860 0.0000 . 1 . . . . 183 THR CA . 17640 1 1083 . 1 1 183 183 THR CB C 13 67.2690 0.0000 . 1 . . . . 183 THR CB . 17640 1 1084 . 1 1 183 183 THR N N 15 118.8000 0.0000 . 1 . . . . 183 THR N . 17640 1 1085 . 1 1 187 187 HIS CA C 13 60.1400 0.0000 . 1 . . . . 187 HIS CA . 17640 1 1086 . 1 1 187 187 HIS CB C 13 29.5260 0.0000 . 1 . . . . 187 HIS CB . 17640 1 1087 . 1 1 188 188 ARG H H 1 8.5060 0.0000 . 1 . . . . 188 ARG HN . 17640 1 1088 . 1 1 188 188 ARG CA C 13 60.2430 0.0000 . 1 . . . . 188 ARG CA . 17640 1 1089 . 1 1 188 188 ARG CB C 13 29.6570 0.0000 . 1 . . . . 188 ARG CB . 17640 1 1090 . 1 1 188 188 ARG N N 15 117.9630 0.0000 . 1 . . . . 188 ARG N . 17640 1 1091 . 1 1 189 189 GLY H H 1 8.0590 0.0000 . 1 . . . . 189 GLY HN . 17640 1 1092 . 1 1 189 189 GLY CA C 13 46.8370 0.0000 . 1 . . . . 189 GLY CA . 17640 1 1093 . 1 1 189 189 GLY N N 15 105.1090 0.0000 . 1 . . . . 189 GLY N . 17640 1 1094 . 1 1 190 190 LEU H H 1 8.0770 0.0000 . 1 . . . . 190 LEU HN . 17640 1 1095 . 1 1 190 190 LEU CA C 13 57.4130 0.0000 . 1 . . . . 190 LEU CA . 17640 1 1096 . 1 1 190 190 LEU CB C 13 40.7050 0.0000 . 1 . . . . 190 LEU CB . 17640 1 1097 . 1 1 190 190 LEU N N 15 122.9700 0.0000 . 1 . . . . 190 LEU N . 17640 1 1098 . 1 1 195 195 LEU CA C 13 53.7240 0.0000 . 1 . . . . 195 LEU CA . 17640 1 1099 . 1 1 195 195 LEU CB C 13 40.4740 0.0000 . 1 . . . . 195 LEU CB . 17640 1 1100 . 1 1 195 195 LEU CD1 C 13 26.0030 0.0000 . 2 . . . . 195 LEU CD1 . 17640 1 1101 . 1 1 195 195 LEU CD2 C 13 22.2240 0.0000 . 2 . . . . 195 LEU CD2 . 17640 1 1102 . 1 1 196 196 ASN H H 1 7.7780 0.0000 . 1 . . . . 196 ASN HN . 17640 1 1103 . 1 1 196 196 ASN HA H 1 4.3400 0.0000 . 1 . . . . 196 ASN HA . 17640 1 1104 . 1 1 196 196 ASN HB2 H 1 3.1260 0.0000 . 2 . . . . 196 ASN HB1 . 17640 1 1105 . 1 1 196 196 ASN HB3 H 1 2.6550 0.0000 . 2 . . . . 196 ASN HB2 . 17640 1 1106 . 1 1 196 196 ASN CA C 13 53.7960 0.0000 . 1 . . . . 196 ASN CA . 17640 1 1107 . 1 1 196 196 ASN CB C 13 36.6570 0.0000 . 1 . . . . 196 ASN CB . 17640 1 1108 . 1 1 196 196 ASN N N 15 116.9690 0.0000 . 1 . . . . 196 ASN N . 17640 1 1109 . 1 1 197 197 LEU H H 1 8.4270 0.0000 . 1 . . . . 197 LEU HN . 17640 1 1110 . 1 1 197 197 LEU CA C 13 52.7580 0.0000 . 1 . . . . 197 LEU CA . 17640 1 1111 . 1 1 197 197 LEU CB C 13 42.9450 0.0000 . 1 . . . . 197 LEU CB . 17640 1 1112 . 1 1 197 197 LEU CD1 C 13 26.8690 0.0000 . 2 . . . . 197 LEU CD1 . 17640 1 1113 . 1 1 197 197 LEU CD2 C 13 22.3390 0.0000 . 2 . . . . 197 LEU CD2 . 17640 1 1114 . 1 1 197 197 LEU N N 15 116.7240 0.0000 . 1 . . . . 197 LEU N . 17640 1 1115 . 1 1 198 198 LYS H H 1 9.0910 0.0000 . 1 . . . . 198 LYS HN . 17640 1 1116 . 1 1 198 198 LYS HA H 1 4.3080 0.0000 . 1 . . . . 198 LYS HA . 17640 1 1117 . 1 1 198 198 LYS HB2 H 1 1.8960 0.0000 . 2 . . . . 198 LYS HB1 . 17640 1 1118 . 1 1 198 198 LYS HB3 H 1 1.8610 0.0000 . 2 . . . . 198 LYS HB2 . 17640 1 1119 . 1 1 198 198 LYS CA C 13 56.2540 0.0000 . 1 . . . . 198 LYS CA . 17640 1 1120 . 1 1 198 198 LYS CB C 13 32.7690 0.0000 . 1 . . . . 198 LYS CB . 17640 1 1121 . 1 1 198 198 LYS N N 15 119.1840 0.0000 . 1 . . . . 198 LYS N . 17640 1 1122 . 1 1 199 199 THR H H 1 7.7450 0.0000 . 1 . . . . 199 THR HN . 17640 1 1123 . 1 1 199 199 THR HA H 1 4.9710 0.0000 . 1 . . . . 199 THR HA . 17640 1 1124 . 1 1 199 199 THR HB H 1 4.5500 0.0000 . 1 . . . . 199 THR HB . 17640 1 1125 . 1 1 199 199 THR HG21 H 1 1.0820 0.0000 . 1 . . . . 199 THR HG21 . 17640 1 1126 . 1 1 199 199 THR HG22 H 1 1.0820 0.0000 . 1 . . . . 199 THR HG21 . 17640 1 1127 . 1 1 199 199 THR HG23 H 1 1.0820 0.0000 . 1 . . . . 199 THR HG21 . 17640 1 1128 . 1 1 199 199 THR CA C 13 58.4660 0.0000 . 1 . . . . 199 THR CA . 17640 1 1129 . 1 1 199 199 THR CB C 13 72.0660 0.0000 . 1 . . . . 199 THR CB . 17640 1 1130 . 1 1 199 199 THR CG2 C 13 22.6400 0.0000 . 1 . . . . 199 THR CG2 . 17640 1 1131 . 1 1 199 199 THR N N 15 107.2290 0.0000 . 1 . . . . 199 THR N . 17640 1 1132 . 1 1 200 200 SER H H 1 9.4600 0.0000 . 1 . . . . 200 SER HN . 17640 1 1133 . 1 1 200 200 SER HA H 1 4.2080 0.0000 . 1 . . . . 200 SER HA . 17640 1 1134 . 1 1 200 200 SER HB2 H 1 3.8920 0.0000 . 2 . . . . 200 SER HB1 . 17640 1 1135 . 1 1 200 200 SER HB3 H 1 3.8560 0.0000 . 2 . . . . 200 SER HB2 . 17640 1 1136 . 1 1 200 200 SER CA C 13 60.7690 0.0000 . 1 . . . . 200 SER CA . 17640 1 1137 . 1 1 200 200 SER CB C 13 61.9850 0.0000 . 1 . . . . 200 SER CB . 17640 1 1138 . 1 1 200 200 SER N N 15 119.3370 0.0000 . 1 . . . . 200 SER N . 17640 1 1139 . 1 1 201 201 ALA H H 1 7.7250 0.0000 . 1 . . . . 201 ALA HN . 17640 1 1140 . 1 1 201 201 ALA HA H 1 3.8780 0.0000 . 1 . . . . 201 ALA HA . 17640 1 1141 . 1 1 201 201 ALA HB1 H 1 1.4580 0.0000 . 1 . . . . 201 ALA HB1 . 17640 1 1142 . 1 1 201 201 ALA HB2 H 1 1.4580 0.0000 . 1 . . . . 201 ALA HB1 . 17640 1 1143 . 1 1 201 201 ALA HB3 H 1 1.4580 0.0000 . 1 . . . . 201 ALA HB1 . 17640 1 1144 . 1 1 201 201 ALA CA C 13 54.8550 0.0000 . 1 . . . . 201 ALA CA . 17640 1 1145 . 1 1 201 201 ALA CB C 13 18.5740 0.0000 . 1 . . . . 201 ALA CB . 17640 1 1146 . 1 1 201 201 ALA N N 15 124.0860 0.0000 . 1 . . . . 201 ALA N . 17640 1 1147 . 1 1 202 202 ASP H H 1 7.4920 0.0000 . 1 . . . . 202 ASP HN . 17640 1 1148 . 1 1 202 202 ASP HA H 1 4.3520 0.0000 . 1 . . . . 202 ASP HA . 17640 1 1149 . 1 1 202 202 ASP HB2 H 1 2.8530 0.0000 . 2 . . . . 202 ASP HB1 . 17640 1 1150 . 1 1 202 202 ASP HB3 H 1 2.7260 0.0000 . 2 . . . . 202 ASP HB2 . 17640 1 1151 . 1 1 202 202 ASP CA C 13 56.7400 0.0000 . 1 . . . . 202 ASP CA . 17640 1 1152 . 1 1 202 202 ASP CB C 13 41.6590 0.0000 . 1 . . . . 202 ASP CB . 17640 1 1153 . 1 1 202 202 ASP N N 15 118.0160 0.0000 . 1 . . . . 202 ASP N . 17640 1 1154 . 1 1 203 203 LEU H H 1 7.0330 0.0000 . 1 . . . . 203 LEU HN . 17640 1 1155 . 1 1 203 203 LEU HA H 1 3.9880 0.0000 . 1 . . . . 203 LEU HA . 17640 1 1156 . 1 1 203 203 LEU HB2 H 1 2.2140 0.0000 . 2 . . . . 203 LEU HB1 . 17640 1 1157 . 1 1 203 203 LEU HB3 H 1 2.1930 0.0000 . 2 . . . . 203 LEU HB2 . 17640 1 1158 . 1 1 203 203 LEU HG H 1 1.5090 0.0000 . 1 . . . . 203 LEU HG . 17640 1 1159 . 1 1 203 203 LEU CA C 13 57.1760 0.0000 . 1 . . . . 203 LEU CA . 17640 1 1160 . 1 1 203 203 LEU CB C 13 40.4890 0.0000 . 1 . . . . 203 LEU CB . 17640 1 1161 . 1 1 203 203 LEU CG C 13 27.2120 0.0000 . 1 . . . . 203 LEU CG . 17640 1 1162 . 1 1 203 203 LEU CD1 C 13 25.1530 0.0000 . 2 . . . . 203 LEU CD1 . 17640 1 1163 . 1 1 203 203 LEU CD2 C 13 23.8160 0.0000 . 2 . . . . 203 LEU CD2 . 17640 1 1164 . 1 1 203 203 LEU N N 15 120.7120 0.0000 . 1 . . . . 203 LEU N . 17640 1 1165 . 1 1 204 204 VAL H H 1 7.8730 0.0000 . 1 . . . . 204 VAL HN . 17640 1 1166 . 1 1 204 204 VAL HA H 1 3.3490 0.0000 . 1 . . . . 204 VAL HA . 17640 1 1167 . 1 1 204 204 VAL HB H 1 1.9550 0.0000 . 1 . . . . 204 VAL HB . 17640 1 1168 . 1 1 204 204 VAL HG11 H 1 0.9810 0.0000 . 2 . . . . 204 VAL HG11 . 17640 1 1169 . 1 1 204 204 VAL HG12 H 1 0.9810 0.0000 . 2 . . . . 204 VAL HG11 . 17640 1 1170 . 1 1 204 204 VAL HG13 H 1 0.9810 0.0000 . 2 . . . . 204 VAL HG11 . 17640 1 1171 . 1 1 204 204 VAL HG21 H 1 0.8660 0.0000 . 2 . . . . 204 VAL HG21 . 17640 1 1172 . 1 1 204 204 VAL HG22 H 1 0.8660 0.0000 . 2 . . . . 204 VAL HG21 . 17640 1 1173 . 1 1 204 204 VAL HG23 H 1 0.8660 0.0000 . 2 . . . . 204 VAL HG21 . 17640 1 1174 . 1 1 204 204 VAL CA C 13 66.7320 0.0000 . 1 . . . . 204 VAL CA . 17640 1 1175 . 1 1 204 204 VAL CB C 13 30.9340 0.0000 . 1 . . . . 204 VAL CB . 17640 1 1176 . 1 1 204 204 VAL CG1 C 13 22.7300 0.0000 . 2 . . . . 204 VAL CG1 . 17640 1 1177 . 1 1 204 204 VAL CG2 C 13 21.5000 0.0000 . 2 . . . . 204 VAL CG2 . 17640 1 1178 . 1 1 204 204 VAL N N 15 117.2950 0.0000 . 1 . . . . 204 VAL N . 17640 1 1179 . 1 1 205 205 ARG H H 1 7.3250 0.0000 . 1 . . . . 205 ARG HN . 17640 1 1180 . 1 1 205 205 ARG HA H 1 3.6890 0.0000 . 1 . . . . 205 ARG HA . 17640 1 1181 . 1 1 205 205 ARG CA C 13 59.7470 0.0000 . 1 . . . . 205 ARG CA . 17640 1 1182 . 1 1 205 205 ARG CB C 13 27.9480 0.0000 . 1 . . . . 205 ARG CB . 17640 1 1183 . 1 1 205 205 ARG N N 15 115.0750 0.0000 . 1 . . . . 205 ARG N . 17640 1 1184 . 1 1 206 206 ILE H H 1 7.6000 0.0000 . 1 . . . . 206 ILE HN . 17640 1 1185 . 1 1 206 206 ILE HA H 1 4.0160 0.0000 . 1 . . . . 206 ILE HA . 17640 1 1186 . 1 1 206 206 ILE HB H 1 1.8650 0.0000 . 1 . . . . 206 ILE HB . 17640 1 1187 . 1 1 206 206 ILE HG12 H 1 1.6230 0.0000 . 2 . . . . 206 ILE HG11 . 17640 1 1188 . 1 1 206 206 ILE HG13 H 1 1.3590 0.0000 . 2 . . . . 206 ILE HG12 . 17640 1 1189 . 1 1 206 206 ILE HG21 H 1 0.9350 0.0000 . 1 . . . . 206 ILE HG21 . 17640 1 1190 . 1 1 206 206 ILE HG22 H 1 0.9350 0.0000 . 1 . . . . 206 ILE HG21 . 17640 1 1191 . 1 1 206 206 ILE HG23 H 1 0.9350 0.0000 . 1 . . . . 206 ILE HG21 . 17640 1 1192 . 1 1 206 206 ILE HD11 H 1 0.7800 0.0000 . 1 . . . . 206 ILE HD11 . 17640 1 1193 . 1 1 206 206 ILE HD12 H 1 0.7800 0.0000 . 1 . . . . 206 ILE HD11 . 17640 1 1194 . 1 1 206 206 ILE HD13 H 1 0.7800 0.0000 . 1 . . . . 206 ILE HD11 . 17640 1 1195 . 1 1 206 206 ILE CA C 13 63.4870 0.0000 . 1 . . . . 206 ILE CA . 17640 1 1196 . 1 1 206 206 ILE CB C 13 37.1470 0.0000 . 1 . . . . 206 ILE CB . 17640 1 1197 . 1 1 206 206 ILE CG1 C 13 29.6890 0.0000 . 1 . . . . 206 ILE CG1 . 17640 1 1198 . 1 1 206 206 ILE CG2 C 13 17.7390 0.0000 . 1 . . . . 206 ILE CG2 . 17640 1 1199 . 1 1 206 206 ILE CD1 C 13 14.5190 0.0000 . 1 . . . . 206 ILE CD1 . 17640 1 1200 . 1 1 206 206 ILE N N 15 117.1190 0.0000 . 1 . . . . 206 ILE N . 17640 1 1201 . 1 1 207 207 ALA H H 1 7.8660 0.0000 . 1 . . . . 207 ALA HN . 17640 1 1202 . 1 1 207 207 ALA HA H 1 3.8710 0.0000 . 1 . . . . 207 ALA HA . 17640 1 1203 . 1 1 207 207 ALA HB1 H 1 1.2610 0.0000 . 1 . . . . 207 ALA HB1 . 17640 1 1204 . 1 1 207 207 ALA HB2 H 1 1.2610 0.0000 . 1 . . . . 207 ALA HB1 . 17640 1 1205 . 1 1 207 207 ALA HB3 H 1 1.2610 0.0000 . 1 . . . . 207 ALA HB1 . 17640 1 1206 . 1 1 207 207 ALA CA C 13 54.6430 0.0000 . 1 . . . . 207 ALA CA . 17640 1 1207 . 1 1 207 207 ALA CB C 13 17.8710 0.0000 . 1 . . . . 207 ALA CB . 17640 1 1208 . 1 1 207 207 ALA N N 15 120.7810 0.0000 . 1 . . . . 207 ALA N . 17640 1 1209 . 1 1 208 208 VAL H H 1 8.0680 0.0000 . 1 . . . . 208 VAL HN . 17640 1 1210 . 1 1 208 208 VAL HA H 1 3.6840 0.0000 . 1 . . . . 208 VAL HA . 17640 1 1211 . 1 1 208 208 VAL HB H 1 1.9140 0.0000 . 1 . . . . 208 VAL HB . 17640 1 1212 . 1 1 208 208 VAL HG11 H 1 0.9700 0.0000 . 2 . . . . 208 VAL HG11 . 17640 1 1213 . 1 1 208 208 VAL HG12 H 1 0.9700 0.0000 . 2 . . . . 208 VAL HG11 . 17640 1 1214 . 1 1 208 208 VAL HG13 H 1 0.9700 0.0000 . 2 . . . . 208 VAL HG11 . 17640 1 1215 . 1 1 208 208 VAL HG21 H 1 0.7890 0.0000 . 2 . . . . 208 VAL HG21 . 17640 1 1216 . 1 1 208 208 VAL HG22 H 1 0.7890 0.0000 . 2 . . . . 208 VAL HG21 . 17640 1 1217 . 1 1 208 208 VAL HG23 H 1 0.7890 0.0000 . 2 . . . . 208 VAL HG21 . 17640 1 1218 . 1 1 208 208 VAL CA C 13 65.4750 0.0000 . 1 . . . . 208 VAL CA . 17640 1 1219 . 1 1 208 208 VAL CB C 13 30.5600 0.0000 . 1 . . . . 208 VAL CB . 17640 1 1220 . 1 1 208 208 VAL CG1 C 13 23.1600 0.0000 . 2 . . . . 208 VAL CG1 . 17640 1 1221 . 1 1 208 208 VAL CG2 C 13 21.9400 0.0000 . 2 . . . . 208 VAL CG2 . 17640 1 1222 . 1 1 208 208 VAL N N 15 117.1270 0.0000 . 1 . . . . 208 VAL N . 17640 1 1223 . 1 1 209 209 GLU H H 1 8.9480 0.0000 . 1 . . . . 209 GLU HN . 17640 1 1224 . 1 1 209 209 GLU HA H 1 3.6820 0.0000 . 1 . . . . 209 GLU HA . 17640 1 1225 . 1 1 209 209 GLU HB2 H 1 2.0060 0.0000 . 2 . . . . 209 GLU HB1 . 17640 1 1226 . 1 1 209 209 GLU HB3 H 1 1.5790 0.0000 . 2 . . . . 209 GLU HB2 . 17640 1 1227 . 1 1 209 209 GLU CA C 13 58.9350 0.0000 . 1 . . . . 209 GLU CA . 17640 1 1228 . 1 1 209 209 GLU CB C 13 29.1910 0.0000 . 1 . . . . 209 GLU CB . 17640 1 1229 . 1 1 209 209 GLU N N 15 120.9790 0.0000 . 1 . . . . 209 GLU N . 17640 1 1230 . 1 1 210 210 ALA H H 1 7.8910 0.0000 . 1 . . . . 210 ALA HN . 17640 1 1231 . 1 1 210 210 ALA HA H 1 4.1250 0.0000 . 1 . . . . 210 ALA HA . 17640 1 1232 . 1 1 210 210 ALA HB1 H 1 1.3470 0.0000 . 1 . . . . 210 ALA HB1 . 17640 1 1233 . 1 1 210 210 ALA HB2 H 1 1.3470 0.0000 . 1 . . . . 210 ALA HB1 . 17640 1 1234 . 1 1 210 210 ALA HB3 H 1 1.3470 0.0000 . 1 . . . . 210 ALA HB1 . 17640 1 1235 . 1 1 210 210 ALA CA C 13 53.6870 0.0000 . 1 . . . . 210 ALA CA . 17640 1 1236 . 1 1 210 210 ALA CB C 13 18.9930 0.0000 . 1 . . . . 210 ALA CB . 17640 1 1237 . 1 1 210 210 ALA N N 15 117.1840 0.0000 . 1 . . . . 210 ALA N . 17640 1 1238 . 1 1 211 211 GLY H H 1 7.5300 0.0000 . 1 . . . . 211 GLY HN . 17640 1 1239 . 1 1 211 211 GLY HA2 H 1 3.9480 0.0000 . 2 . . . . 211 GLY HA1 . 17640 1 1240 . 1 1 211 211 GLY HA3 H 1 3.8570 0.0000 . 2 . . . . 211 GLY HA2 . 17640 1 1241 . 1 1 211 211 GLY CA C 13 45.4920 0.0000 . 1 . . . . 211 GLY CA . 17640 1 1242 . 1 1 211 211 GLY N N 15 104.9470 0.0000 . 1 . . . . 211 GLY N . 17640 1 1243 . 1 1 212 212 ILE H H 1 7.3560 0.0000 . 1 . . . . 212 ILE HN . 17640 1 1244 . 1 1 212 212 ILE HA H 1 4.0300 0.0000 . 1 . . . . 212 ILE HA . 17640 1 1245 . 1 1 212 212 ILE HB H 1 1.8780 0.0000 . 1 . . . . 212 ILE HB . 17640 1 1246 . 1 1 212 212 ILE HG12 H 1 1.3600 0.0000 . 2 . . . . 212 ILE HG11 . 17640 1 1247 . 1 1 212 212 ILE HG13 H 1 1.1430 0.0000 . 2 . . . . 212 ILE HG12 . 17640 1 1248 . 1 1 212 212 ILE HG21 H 1 0.8360 0.0000 . 1 . . . . 212 ILE HG21 . 17640 1 1249 . 1 1 212 212 ILE HG22 H 1 0.8360 0.0000 . 1 . . . . 212 ILE HG21 . 17640 1 1250 . 1 1 212 212 ILE HG23 H 1 0.8360 0.0000 . 1 . . . . 212 ILE HG21 . 17640 1 1251 . 1 1 212 212 ILE HD11 H 1 0.7870 0.0000 . 1 . . . . 212 ILE HD11 . 17640 1 1252 . 1 1 212 212 ILE HD12 H 1 0.7870 0.0000 . 1 . . . . 212 ILE HD11 . 17640 1 1253 . 1 1 212 212 ILE HD13 H 1 0.7870 0.0000 . 1 . . . . 212 ILE HD11 . 17640 1 1254 . 1 1 212 212 ILE CA C 13 62.4730 0.0000 . 1 . . . . 212 ILE CA . 17640 1 1255 . 1 1 212 212 ILE CB C 13 38.0620 0.0000 . 1 . . . . 212 ILE CB . 17640 1 1256 . 1 1 212 212 ILE CG1 C 13 27.3430 0.0000 . 1 . . . . 212 ILE CG1 . 17640 1 1257 . 1 1 212 212 ILE CG2 C 13 18.5560 0.0000 . 1 . . . . 212 ILE CG2 . 17640 1 1258 . 1 1 212 212 ILE CD1 C 13 14.3390 0.0000 . 1 . . . . 212 ILE CD1 . 17640 1 1259 . 1 1 212 212 ILE N N 15 123.0650 0.0000 . 1 . . . . 212 ILE N . 17640 1 stop_ save_