data_27417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27417 _Entry.Title ; Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-06 _Entry.Accession_date 2018-03-06 _Entry.Last_release_date 2018-03-06 _Entry.Original_release_date 2018-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sofia Mariasina . S. . . 27417 2 Vladimir Polshakov . I. . . 27417 3 Chi-Fon Chang . . . . 27417 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Lomonosov Moscow State University' . 27417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 779 27417 '15N chemical shifts' 214 27417 '1H chemical shifts' 1173 27417 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-11-13 2018-03-06 update BMRB 'update entry citation' 27417 1 . . 2018-06-20 2018-03-06 original author 'original release' 27417 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27417 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29868988 _Citation.Full_citation . _Citation.Title ; NMR assignments of the WBSCR27 protein related to Williams-Beuren syndrome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 303 _Citation.Page_last 308 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sofia Mariasina S. S. . . 27417 1 2 Olga Petrova O. A. . . 27417 1 3 Ilya Osterman I. A. . . 27417 1 4 Olga Sergeeva O. V. . . 27417 1 5 Sergey Efimov S. V. . . 27417 1 6 Vladimir Klochkov V. V. . . 27417 1 7 Petr Sergiev P. V. . . 27417 1 8 Olga Dontsova O. A. . . 27417 1 9 Tai-Huang Huang T. H. . . 27417 1 10 Chi-Fon Chang C. F. . . 27417 1 11 Vladimir Polshakov V. I. . . 27417 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 27417 1 S-Adenosyl-L-methionine 27417 1 'Williams-Beuren syndrome' 27417 1 methyltransferase 27417 1 'protein secondary structure' 27417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27417 _Assembly.ID 1 _Assembly.Name 'WBSCR27 in complex with SAM' _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 26361 _Assembly.Enzyme_commission_number . _Assembly.Details 'SAM is the methyl group donor.' _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 WBSCR27 1 $WBSCR27_putative_methyltransferase A . yes native no no . . . 27417 1 2 SAM 2 $entity_SAM A . no native no no . . . 27417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WBSCR27_putative_methyltransferase _Entity.Sf_category entity _Entity.Sf_framecode WBSCR27_putative_methyltransferase _Entity.Entry_ID 27417 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WBSCR27_putative_methyltransferase _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 ; GAMAQEEAGRLPQVLARVGT SHGITDLACKLRFYDDWAPE YDQDVAALKYRAPRLAVDCL SRAFRGSPHDALILDVACGT GLVAVELQARGFLQVQGVDG SPEMLKQARARGLYHHLSLC TLGQEPLPDPEGTFDAVIIV GALSEGQVPCSAIPELLRVT KPGGLVCLTTRTNPSNLPYK ETLEATLDSLERAGVWECLV TQPVDHWELATSEQETGLGT CANDGFISGIIYLYRKQETV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native affinity tag;' _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 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Mutation T4A' _Entity.EC_number 'EC 2.1.1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25963 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes Q8BGM4-1 WBSCR27 . WBSCR27 . . . . . . . . . . . . . . 27417 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Putative methyltransferase associated to Williams-Beuren Syndrome' 27417 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 . 27417 1 2 . ALA . 27417 1 3 . MET . 27417 1 4 . ALA . 27417 1 5 . GLN . 27417 1 6 . GLU . 27417 1 7 . GLU . 27417 1 8 . ALA . 27417 1 9 . GLY . 27417 1 10 . ARG . 27417 1 11 . LEU . 27417 1 12 . PRO . 27417 1 13 . GLN . 27417 1 14 . VAL . 27417 1 15 . LEU . 27417 1 16 . ALA . 27417 1 17 . ARG . 27417 1 18 . VAL . 27417 1 19 . GLY . 27417 1 20 . THR . 27417 1 21 . SER . 27417 1 22 . HIS . 27417 1 23 . GLY . 27417 1 24 . ILE . 27417 1 25 . THR . 27417 1 26 . ASP . 27417 1 27 . LEU . 27417 1 28 . ALA . 27417 1 29 . CYS . 27417 1 30 . LYS . 27417 1 31 . LEU . 27417 1 32 . ARG . 27417 1 33 . PHE . 27417 1 34 . TYR . 27417 1 35 . ASP . 27417 1 36 . ASP . 27417 1 37 . TRP . 27417 1 38 . ALA . 27417 1 39 . PRO . 27417 1 40 . GLU . 27417 1 41 . TYR . 27417 1 42 . ASP . 27417 1 43 . GLN . 27417 1 44 . ASP . 27417 1 45 . VAL . 27417 1 46 . ALA . 27417 1 47 . ALA . 27417 1 48 . LEU . 27417 1 49 . LYS . 27417 1 50 . TYR . 27417 1 51 . ARG . 27417 1 52 . ALA . 27417 1 53 . PRO . 27417 1 54 . ARG . 27417 1 55 . LEU . 27417 1 56 . ALA . 27417 1 57 . VAL . 27417 1 58 . ASP . 27417 1 59 . CYS . 27417 1 60 . LEU . 27417 1 61 . SER . 27417 1 62 . ARG . 27417 1 63 . ALA . 27417 1 64 . PHE . 27417 1 65 . ARG . 27417 1 66 . GLY . 27417 1 67 . SER . 27417 1 68 . PRO . 27417 1 69 . HIS . 27417 1 70 . ASP . 27417 1 71 . ALA . 27417 1 72 . LEU . 27417 1 73 . ILE . 27417 1 74 . LEU . 27417 1 75 . ASP . 27417 1 76 . VAL . 27417 1 77 . ALA . 27417 1 78 . CYS . 27417 1 79 . GLY . 27417 1 80 . THR . 27417 1 81 . GLY . 27417 1 82 . LEU . 27417 1 83 . VAL . 27417 1 84 . ALA . 27417 1 85 . VAL . 27417 1 86 . GLU . 27417 1 87 . LEU . 27417 1 88 . GLN . 27417 1 89 . ALA . 27417 1 90 . ARG . 27417 1 91 . GLY . 27417 1 92 . PHE . 27417 1 93 . LEU . 27417 1 94 . GLN . 27417 1 95 . VAL . 27417 1 96 . GLN . 27417 1 97 . GLY . 27417 1 98 . VAL . 27417 1 99 . ASP . 27417 1 100 . GLY . 27417 1 101 . SER . 27417 1 102 . PRO . 27417 1 103 . GLU . 27417 1 104 . MET . 27417 1 105 . LEU . 27417 1 106 . LYS . 27417 1 107 . GLN . 27417 1 108 . ALA . 27417 1 109 . ARG . 27417 1 110 . ALA . 27417 1 111 . ARG . 27417 1 112 . GLY . 27417 1 113 . LEU . 27417 1 114 . TYR . 27417 1 115 . HIS . 27417 1 116 . HIS . 27417 1 117 . LEU . 27417 1 118 . SER . 27417 1 119 . LEU . 27417 1 120 . CYS . 27417 1 121 . THR . 27417 1 122 . LEU . 27417 1 123 . GLY . 27417 1 124 . GLN . 27417 1 125 . GLU . 27417 1 126 . PRO . 27417 1 127 . LEU . 27417 1 128 . PRO . 27417 1 129 . ASP . 27417 1 130 . PRO . 27417 1 131 . GLU . 27417 1 132 . GLY . 27417 1 133 . THR . 27417 1 134 . PHE . 27417 1 135 . ASP . 27417 1 136 . ALA . 27417 1 137 . VAL . 27417 1 138 . ILE . 27417 1 139 . ILE . 27417 1 140 . VAL . 27417 1 141 . GLY . 27417 1 142 . ALA . 27417 1 143 . LEU . 27417 1 144 . SER . 27417 1 145 . GLU . 27417 1 146 . GLY . 27417 1 147 . GLN . 27417 1 148 . VAL . 27417 1 149 . PRO . 27417 1 150 . CYS . 27417 1 151 . SER . 27417 1 152 . ALA . 27417 1 153 . ILE . 27417 1 154 . PRO . 27417 1 155 . GLU . 27417 1 156 . LEU . 27417 1 157 . LEU . 27417 1 158 . ARG . 27417 1 159 . VAL . 27417 1 160 . THR . 27417 1 161 . LYS . 27417 1 162 . PRO . 27417 1 163 . GLY . 27417 1 164 . GLY . 27417 1 165 . LEU . 27417 1 166 . VAL . 27417 1 167 . CYS . 27417 1 168 . LEU . 27417 1 169 . THR . 27417 1 170 . THR . 27417 1 171 . ARG . 27417 1 172 . THR . 27417 1 173 . ASN . 27417 1 174 . PRO . 27417 1 175 . SER . 27417 1 176 . ASN . 27417 1 177 . LEU . 27417 1 178 . PRO . 27417 1 179 . TYR . 27417 1 180 . LYS . 27417 1 181 . GLU . 27417 1 182 . THR . 27417 1 183 . LEU . 27417 1 184 . GLU . 27417 1 185 . ALA . 27417 1 186 . THR . 27417 1 187 . LEU . 27417 1 188 . ASP . 27417 1 189 . SER . 27417 1 190 . LEU . 27417 1 191 . GLU . 27417 1 192 . ARG . 27417 1 193 . ALA . 27417 1 194 . GLY . 27417 1 195 . VAL . 27417 1 196 . TRP . 27417 1 197 . GLU . 27417 1 198 . CYS . 27417 1 199 . LEU . 27417 1 200 . VAL . 27417 1 201 . THR . 27417 1 202 . GLN . 27417 1 203 . PRO . 27417 1 204 . VAL . 27417 1 205 . ASP . 27417 1 206 . HIS . 27417 1 207 . TRP . 27417 1 208 . GLU . 27417 1 209 . LEU . 27417 1 210 . ALA . 27417 1 211 . THR . 27417 1 212 . SER . 27417 1 213 . GLU . 27417 1 214 . GLN . 27417 1 215 . GLU . 27417 1 216 . THR . 27417 1 217 . GLY . 27417 1 218 . LEU . 27417 1 219 . GLY . 27417 1 220 . THR . 27417 1 221 . CYS . 27417 1 222 . ALA . 27417 1 223 . ASN . 27417 1 224 . ASP . 27417 1 225 . GLY . 27417 1 226 . PHE . 27417 1 227 . ILE . 27417 1 228 . SER . 27417 1 229 . GLY . 27417 1 230 . ILE . 27417 1 231 . ILE . 27417 1 232 . TYR . 27417 1 233 . LEU . 27417 1 234 . TYR . 27417 1 235 . ARG . 27417 1 236 . LYS . 27417 1 237 . GLN . 27417 1 238 . GLU . 27417 1 239 . THR . 27417 1 240 . VAL . 27417 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 27417 1 . ALA 2 2 27417 1 . MET 3 3 27417 1 . ALA 4 4 27417 1 . GLN 5 5 27417 1 . GLU 6 6 27417 1 . GLU 7 7 27417 1 . ALA 8 8 27417 1 . GLY 9 9 27417 1 . ARG 10 10 27417 1 . LEU 11 11 27417 1 . PRO 12 12 27417 1 . GLN 13 13 27417 1 . VAL 14 14 27417 1 . LEU 15 15 27417 1 . ALA 16 16 27417 1 . ARG 17 17 27417 1 . VAL 18 18 27417 1 . GLY 19 19 27417 1 . THR 20 20 27417 1 . SER 21 21 27417 1 . HIS 22 22 27417 1 . GLY 23 23 27417 1 . ILE 24 24 27417 1 . THR 25 25 27417 1 . ASP 26 26 27417 1 . LEU 27 27 27417 1 . ALA 28 28 27417 1 . CYS 29 29 27417 1 . LYS 30 30 27417 1 . LEU 31 31 27417 1 . ARG 32 32 27417 1 . PHE 33 33 27417 1 . TYR 34 34 27417 1 . ASP 35 35 27417 1 . ASP 36 36 27417 1 . TRP 37 37 27417 1 . ALA 38 38 27417 1 . PRO 39 39 27417 1 . GLU 40 40 27417 1 . TYR 41 41 27417 1 . ASP 42 42 27417 1 . GLN 43 43 27417 1 . ASP 44 44 27417 1 . VAL 45 45 27417 1 . ALA 46 46 27417 1 . ALA 47 47 27417 1 . LEU 48 48 27417 1 . LYS 49 49 27417 1 . TYR 50 50 27417 1 . ARG 51 51 27417 1 . ALA 52 52 27417 1 . PRO 53 53 27417 1 . ARG 54 54 27417 1 . LEU 55 55 27417 1 . ALA 56 56 27417 1 . VAL 57 57 27417 1 . ASP 58 58 27417 1 . CYS 59 59 27417 1 . LEU 60 60 27417 1 . SER 61 61 27417 1 . ARG 62 62 27417 1 . ALA 63 63 27417 1 . PHE 64 64 27417 1 . ARG 65 65 27417 1 . GLY 66 66 27417 1 . SER 67 67 27417 1 . PRO 68 68 27417 1 . HIS 69 69 27417 1 . ASP 70 70 27417 1 . ALA 71 71 27417 1 . LEU 72 72 27417 1 . ILE 73 73 27417 1 . LEU 74 74 27417 1 . ASP 75 75 27417 1 . VAL 76 76 27417 1 . ALA 77 77 27417 1 . CYS 78 78 27417 1 . GLY 79 79 27417 1 . THR 80 80 27417 1 . GLY 81 81 27417 1 . LEU 82 82 27417 1 . VAL 83 83 27417 1 . ALA 84 84 27417 1 . VAL 85 85 27417 1 . GLU 86 86 27417 1 . LEU 87 87 27417 1 . GLN 88 88 27417 1 . ALA 89 89 27417 1 . ARG 90 90 27417 1 . GLY 91 91 27417 1 . PHE 92 92 27417 1 . LEU 93 93 27417 1 . GLN 94 94 27417 1 . VAL 95 95 27417 1 . GLN 96 96 27417 1 . GLY 97 97 27417 1 . VAL 98 98 27417 1 . ASP 99 99 27417 1 . GLY 100 100 27417 1 . SER 101 101 27417 1 . PRO 102 102 27417 1 . GLU 103 103 27417 1 . MET 104 104 27417 1 . LEU 105 105 27417 1 . LYS 106 106 27417 1 . GLN 107 107 27417 1 . ALA 108 108 27417 1 . ARG 109 109 27417 1 . ALA 110 110 27417 1 . ARG 111 111 27417 1 . GLY 112 112 27417 1 . LEU 113 113 27417 1 . TYR 114 114 27417 1 . HIS 115 115 27417 1 . HIS 116 116 27417 1 . LEU 117 117 27417 1 . SER 118 118 27417 1 . LEU 119 119 27417 1 . CYS 120 120 27417 1 . THR 121 121 27417 1 . LEU 122 122 27417 1 . GLY 123 123 27417 1 . GLN 124 124 27417 1 . GLU 125 125 27417 1 . PRO 126 126 27417 1 . LEU 127 127 27417 1 . PRO 128 128 27417 1 . ASP 129 129 27417 1 . PRO 130 130 27417 1 . GLU 131 131 27417 1 . GLY 132 132 27417 1 . THR 133 133 27417 1 . PHE 134 134 27417 1 . ASP 135 135 27417 1 . ALA 136 136 27417 1 . VAL 137 137 27417 1 . ILE 138 138 27417 1 . ILE 139 139 27417 1 . VAL 140 140 27417 1 . GLY 141 141 27417 1 . ALA 142 142 27417 1 . LEU 143 143 27417 1 . SER 144 144 27417 1 . GLU 145 145 27417 1 . GLY 146 146 27417 1 . GLN 147 147 27417 1 . VAL 148 148 27417 1 . PRO 149 149 27417 1 . CYS 150 150 27417 1 . SER 151 151 27417 1 . ALA 152 152 27417 1 . ILE 153 153 27417 1 . PRO 154 154 27417 1 . GLU 155 155 27417 1 . LEU 156 156 27417 1 . LEU 157 157 27417 1 . ARG 158 158 27417 1 . VAL 159 159 27417 1 . THR 160 160 27417 1 . LYS 161 161 27417 1 . PRO 162 162 27417 1 . GLY 163 163 27417 1 . GLY 164 164 27417 1 . LEU 165 165 27417 1 . VAL 166 166 27417 1 . CYS 167 167 27417 1 . LEU 168 168 27417 1 . THR 169 169 27417 1 . THR 170 170 27417 1 . ARG 171 171 27417 1 . THR 172 172 27417 1 . ASN 173 173 27417 1 . PRO 174 174 27417 1 . SER 175 175 27417 1 . ASN 176 176 27417 1 . LEU 177 177 27417 1 . PRO 178 178 27417 1 . TYR 179 179 27417 1 . LYS 180 180 27417 1 . GLU 181 181 27417 1 . THR 182 182 27417 1 . LEU 183 183 27417 1 . GLU 184 184 27417 1 . ALA 185 185 27417 1 . THR 186 186 27417 1 . LEU 187 187 27417 1 . ASP 188 188 27417 1 . SER 189 189 27417 1 . LEU 190 190 27417 1 . GLU 191 191 27417 1 . ARG 192 192 27417 1 . ALA 193 193 27417 1 . GLY 194 194 27417 1 . VAL 195 195 27417 1 . TRP 196 196 27417 1 . GLU 197 197 27417 1 . CYS 198 198 27417 1 . LEU 199 199 27417 1 . VAL 200 200 27417 1 . THR 201 201 27417 1 . GLN 202 202 27417 1 . PRO 203 203 27417 1 . VAL 204 204 27417 1 . ASP 205 205 27417 1 . HIS 206 206 27417 1 . TRP 207 207 27417 1 . GLU 208 208 27417 1 . LEU 209 209 27417 1 . ALA 210 210 27417 1 . THR 211 211 27417 1 . SER 212 212 27417 1 . GLU 213 213 27417 1 . GLN 214 214 27417 1 . GLU 215 215 27417 1 . THR 216 216 27417 1 . GLY 217 217 27417 1 . LEU 218 218 27417 1 . GLY 219 219 27417 1 . THR 220 220 27417 1 . CYS 221 221 27417 1 . ALA 222 222 27417 1 . ASN 223 223 27417 1 . ASP 224 224 27417 1 . GLY 225 225 27417 1 . PHE 226 226 27417 1 . ILE 227 227 27417 1 . SER 228 228 27417 1 . GLY 229 229 27417 1 . ILE 230 230 27417 1 . ILE 231 231 27417 1 . TYR 232 232 27417 1 . LEU 233 233 27417 1 . TYR 234 234 27417 1 . ARG 235 235 27417 1 . LYS 236 236 27417 1 . GLN 237 237 27417 1 . GLU 238 238 27417 1 . THR 239 239 27417 1 . VAL 240 240 27417 1 stop_ save_ save_entity_SAM _Entity.Sf_category entity _Entity.Sf_framecode entity_SAM _Entity.Entry_ID 27417 _Entity.ID 2 _Entity.BMRB_code SAM _Entity.Name entity_SAM _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID SAM _Entity.Nonpolymer_comp_label $chem_comp_SAM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 398.437 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S-ADENOSYLMETHIONINE BMRB 27417 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID S-ADENOSYLMETHIONINE BMRB 27417 2 SAM 'Three letter code' 27417 2 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 1 SAM $chem_comp_SAM 27417 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 27417 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $WBSCR27_putative_methyltransferase . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . WBSCR27 . 27417 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 27417 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $WBSCR27_putative_methyltransferase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET30aTEV . . . 27417 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAM _Chem_comp.Entry_ID 27417 _Chem_comp.ID SAM _Chem_comp.Provenance PDB _Chem_comp.Name S-ADENOSYLMETHIONINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code SAM _Chem_comp.PDB_code SAM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SAM _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C15 H22 N6 O5 S' _Chem_comp.Formula_weight 398.437 _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 1CMC _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O SMILES 'OpenEye OEToolkits' 1.5.0 27417 SAM C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 SMILES CACTVS 3.341 27417 SAM C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27417 SAM C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 SMILES_CANONICAL CACTVS 3.341 27417 SAM ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; InChI InChI 1.03 27417 SAM MEFKEPWMEQBLKI-FCKMPRQPSA-N InChIKey InChI 1.03 27417 SAM [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 27417 SAM 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 (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27417 SAM ; (2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 27417 SAM 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 N N N N . N . . N 0 . . . 1 no no . . . . -27.077 . 24.904 . 45.687 . -6.815 -0.436 0.939 1 . 27417 SAM CA CA CA CA . C . . S 0 . . . 1 no no . . . . -28.110 . 25.968 . 45.360 . -6.177 0.858 0.661 2 . 27417 SAM C C C C . C . . N 0 . . . 1 no no . . . . -29.216 . 25.950 . 46.423 . -7.164 1.767 -0.026 3 . 27417 SAM O O O O . O . . N 0 . . . 1 no no . . . . -29.253 . 24.910 . 47.107 . -8.035 1.295 -0.737 4 . 27417 SAM OXT OXT OXT OXT . O . . N -1 . . . 1 no no . . . . -30.029 . 26.837 . 46.753 . -7.091 2.974 0.130 5 . 27417 SAM CB CB CB CB . C . . N 0 . . . 1 no no . . . . -28.628 . 25.736 . 43.935 . -4.964 0.644 -0.246 6 . 27417 SAM CG CG CG CG . C . . N 0 . . . 1 no no . . . . -29.842 . 26.488 . 43.429 . -3.908 -0.176 0.499 7 . 27417 SAM SD SD SD SD . S . . S 1 . . . 1 no no . . . . -29.737 . 28.269 . 43.836 . -2.469 -0.429 -0.576 8 . 27417 SAM CE CE CE CE . C . . N 0 . . . 1 no no . . . . -31.441 . 28.679 . 44.165 . -3.103 -1.751 -1.644 9 . 27417 SAM C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . -29.475 . 28.953 . 42.169 . -1.413 -1.400 0.534 10 . 27417 SAM C4' C4' C4' C4* . C . . S 0 . . . 1 no no . . . . -29.572 . 30.475 . 42.206 . -0.103 -1.741 -0.177 11 . 27417 SAM O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . -29.031 . 30.956 . 43.442 . 0.656 -0.542 -0.407 12 . 27417 SAM C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . -28.682 . 31.245 . 41.233 . 0.752 -2.664 0.713 13 . 27417 SAM O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . -29.371 . 31.423 . 40.002 . 1.004 -3.909 0.058 14 . 27417 SAM C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . -28.546 . 32.662 . 41.810 . 2.075 -1.877 0.910 15 . 27417 SAM O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . -29.244 . 33.644 . 41.146 . 3.203 -2.751 0.832 16 . 27417 SAM C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . -28.874 . 32.379 . 43.239 . 2.050 -0.896 -0.290 17 . 27417 SAM N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -27.744 . 32.757 . 44.049 . 2.862 0.290 -0.006 18 . 27417 SAM C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -27.998 . 33.524 . 45.159 . 2.426 1.448 0.567 19 . 27417 SAM N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -26.868 . 33.759 . 45.806 . 3.411 2.292 0.670 20 . 27417 SAM C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -25.877 . 33.152 . 45.067 . 4.539 1.731 0.172 21 . 27417 SAM C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -24.477 . 33.101 . 45.296 . 5.870 2.155 0.022 22 . 27417 SAM N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . -23.850 . 33.668 . 46.347 . 6.263 3.415 0.438 23 . 27417 SAM N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . -23.815 . 32.413 . 44.412 . 6.744 1.317 -0.527 24 . 27417 SAM C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -24.381 . 31.757 . 43.359 . 6.378 0.112 -0.925 25 . 27417 SAM N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . -25.656 . 31.812 . 43.055 . 5.143 -0.327 -0.805 26 . 27417 SAM C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -26.393 . 32.486 . 43.978 . 4.201 0.438 -0.263 27 . 27417 SAM HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . -26.341 . 24.916 . 44.980 . -7.662 -0.238 1.449 28 . 27417 SAM HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . -27.495 . 23.979 . 45.792 . -7.095 -0.819 0.048 29 . 27417 SAM HA HA HA HA . H . . N 0 . . . 1 no no . . . . -27.662 . 26.989 . 45.384 . -5.855 1.313 1.598 30 . 27417 SAM HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . -27.786 . 25.910 . 43.224 . -4.543 1.610 -0.524 31 . 27417 SAM HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . -28.812 . 24.644 . 43.802 . -5.271 0.109 -1.145 32 . 27417 SAM HG1 HG1 HG1 1HG . H . . N 0 . . . 1 no no . . . . -29.998 . 26.326 . 42.336 . -4.328 -1.142 0.778 33 . 27417 SAM HG2 HG2 HG2 2HG . H . . N 0 . . . 1 no no . . . . -30.789 . 26.037 . 43.806 . -3.600 0.359 1.398 34 . 27417 SAM HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . -31.377 . 29.764 . 44.413 . -2.339 -2.030 -2.370 35 . 27417 SAM HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . -32.153 . 28.423 . 43.346 . -3.359 -2.619 -1.035 36 . 27417 SAM HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . -31.937 . 28.047 . 44.938 . -3.992 -1.400 -2.169 37 . 27417 SAM H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . -28.513 . 28.606 . 41.722 . -1.199 -0.819 1.432 38 . 27417 SAM H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . -30.172 . 28.508 . 41.421 . -1.927 -2.320 0.811 39 . 27417 SAM H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . -30.653 . 30.641 . 41.993 . -0.314 -2.234 -1.127 40 . 27417 SAM H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . -27.715 . 30.708 . 41.087 . 0.261 -2.831 1.672 41 . 27417 SAM HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . -28.817 . 31.902 . 39.396 . 1.590 -4.416 0.637 42 . 27417 SAM H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . -27.549 . 33.148 . 41.689 . 2.069 -1.336 1.856 43 . 27417 SAM HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . -29.159 . 34.520 . 41.502 . 3.160 -3.333 1.603 44 . 27417 SAM H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . -29.805 . 32.932 . 43.503 . 2.399 -1.390 -1.197 45 . 27417 SAM H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -28.980 . 33.901 . 45.487 . 1.412 1.637 0.887 46 . 27417 SAM HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . -22.844 . 33.631 . 46.511 . 5.616 4.017 0.837 47 . 27417 SAM HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . -24.300 . 33.308 . 47.188 . 7.185 3.696 0.329 48 . 27417 SAM H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -23.756 . 31.131 . 42.699 . 7.120 -0.537 -1.367 49 . 27417 SAM 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 N CA no N 1 . 27417 SAM 2 . SING N HN1 no N 2 . 27417 SAM 3 . SING N HN2 no N 3 . 27417 SAM 4 . SING CA C no N 4 . 27417 SAM 5 . SING CA CB no N 5 . 27417 SAM 6 . SING CA HA no N 6 . 27417 SAM 7 . DOUB C O no N 7 . 27417 SAM 8 . SING C OXT no N 8 . 27417 SAM 9 . SING CB CG no N 9 . 27417 SAM 10 . SING CB HB1 no N 10 . 27417 SAM 11 . SING CB HB2 no N 11 . 27417 SAM 12 . SING CG SD no N 12 . 27417 SAM 13 . SING CG HG1 no N 13 . 27417 SAM 14 . SING CG HG2 no N 14 . 27417 SAM 15 . SING SD CE no N 15 . 27417 SAM 16 . SING SD C5' no N 16 . 27417 SAM 17 . SING CE HE1 no N 17 . 27417 SAM 18 . SING CE HE2 no N 18 . 27417 SAM 19 . SING CE HE3 no N 19 . 27417 SAM 20 . SING C5' C4' no N 20 . 27417 SAM 21 . SING C5' H5'1 no N 21 . 27417 SAM 22 . SING C5' H5'2 no N 22 . 27417 SAM 23 . SING C4' O4' no N 23 . 27417 SAM 24 . SING C4' C3' no N 24 . 27417 SAM 25 . SING C4' H4' no N 25 . 27417 SAM 26 . SING O4' C1' no N 26 . 27417 SAM 27 . SING C3' O3' no N 27 . 27417 SAM 28 . SING C3' C2' no N 28 . 27417 SAM 29 . SING C3' H3' no N 29 . 27417 SAM 30 . SING O3' HO3' no N 30 . 27417 SAM 31 . SING C2' O2' no N 31 . 27417 SAM 32 . SING C2' C1' no N 32 . 27417 SAM 33 . SING C2' H2' no N 33 . 27417 SAM 34 . SING O2' HO2' no N 34 . 27417 SAM 35 . SING C1' N9 no N 35 . 27417 SAM 36 . SING C1' H1' no N 36 . 27417 SAM 37 . SING N9 C8 yes N 37 . 27417 SAM 38 . SING N9 C4 yes N 38 . 27417 SAM 39 . DOUB C8 N7 yes N 39 . 27417 SAM 40 . SING C8 H8 no N 40 . 27417 SAM 41 . SING N7 C5 yes N 41 . 27417 SAM 42 . SING C5 C6 yes N 42 . 27417 SAM 43 . DOUB C5 C4 yes N 43 . 27417 SAM 44 . SING C6 N6 no N 44 . 27417 SAM 45 . DOUB C6 N1 yes N 45 . 27417 SAM 46 . SING N6 HN61 no N 46 . 27417 SAM 47 . SING N6 HN62 no N 47 . 27417 SAM 48 . SING N1 C2 yes N 48 . 27417 SAM 49 . DOUB C2 N3 yes N 49 . 27417 SAM 50 . SING C2 H2 no N 50 . 27417 SAM 51 . SING N3 C4 yes N 51 . 27417 SAM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Sample.Sf_category sample _Sample.Sf_framecode sample_N _Sample.Entry_ID 27417 _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 'WBSCR27 putative methyltransferase' '[U-99% 15N]' . . 1 $WBSCR27_putative_methyltransferase . . 0.8 . . mM . . . . 27417 1 2 S-Adenosyl-L-methionine 'natural abundance' . . 2 $entity_SAM . . 5 . . mM . . . . 27417 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27417 1 4 'Sodium phosphate buffer (pH 7)' 'natural abundance' . . . . . . 50 . . mM . . . . 27417 1 5 'DL-Dithiothreitol (DTT)' 'natural abundance' . . . . . . 10 . . mM . . . . 27417 1 6 'Sodium azide (NaN3)' 'natural abundance' . . . . . . 0.02 . . % . . . . 27417 1 stop_ save_ save_sample_CN_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_CN_D2O _Sample.Entry_ID 27417 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WBSCR27 putative methyltransferase' '[U-99% 13C; U-99% 15N]' . . 1 $WBSCR27_putative_methyltransferase . . 0.4 . . mM . . . . 27417 2 2 S-Adenosyl-L-methionine 'natural abundance' . . 2 $entity_SAM . . 2 . . mM . . . . 27417 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27417 2 4 'Sodium phosphate buffer (pH 7)' 'natural abundance' . . . . . . 50 . . mM . . . . 27417 2 5 'DL-Dithiothreitol (DTT)' 'natural abundance' . . . . . . 10 . . mM . . . . 27417 2 6 'Sodium azide (NaN3)' 'natural abundance' . . . . . . 0.02 . . % . . . . 27417 2 stop_ save_ save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 27417 _Sample.ID 3 _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 'WBSCR27 putative methyltransferase' '[U-99% 13C; U-99% 15N]' . . 1 $WBSCR27_putative_methyltransferase . . 0.6 . . mM . . . . 27417 3 2 S-Adenosyl-L-methionine 'natural abundance' . . 2 $entity_SAM . . 5 . . mM . . . . 27417 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27417 3 4 'Sodium phosphate buffer (pH 7)' 'natural abundance' . . . . . . 50 . . mM . . . . 27417 3 5 'DL-Dithiothreitol (DTT)' 'natural abundance' . . . . . . 10 . . mM . . . . 27417 3 6 'Sodium azide (NaN3)' 'natural abundance' . . . . . . 0.02 . . % . . . . 27417 3 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 27417 _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' 100 . mM 27417 1 pH 7 . pH 27417 1 pressure 1 . atm 27417 1 temperature 308 . K 27417 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27417 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(NMRFAM Sparky) W. Lee' . whlee@nmrfam.wisc.edu 27417 1 Goddard . . 27417 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27417 1 'data analysis' 27417 1 'peak picking' 27417 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27417 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version v3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27417 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27417 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27417 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27417 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27417 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 27417 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 27417 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27417 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27417 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27417 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27417 5 stop_ save_ save_NMRest _Software.Sf_category software _Software.Sf_framecode NMRest _Software.Entry_ID 27417 _Software.ID 6 _Software.Type . _Software.Name NMRest _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Polshakov . polshakov@mail.ru 27417 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27417 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_600_MHz _NMR_spectrometer.Entry_ID 27417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_Avance_700_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_700_MHz _NMR_spectrometer.Entry_ID 27417 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Bruker_Avance_850_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_850_MHz _NMR_spectrometer.Entry_ID 27417 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27417 _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 Bruker_Avance_600_MHz Bruker Avance . 600 . . . 27417 1 2 Bruker_Avance_700_MHz Bruker Avance . 700 . . . 27417 1 3 Bruker_Avance_850_MHz Bruker Avance . 850 . . . 27417 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 27417 _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_N isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27417 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 4 '3D HCACO' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 5 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 6 '3D HNCA' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 10 '3D HNHAHB' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27417 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance_850_MHz . . . . . . . . . . . . . . . . 27417 1 15 '2D 15{1H}NOE' no . . . . . . . . . . 3 $sample_CN isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27417 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 27417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27417 1 H 1 water protons . . . . ppm 4.65 internal direct 1.000000000 . . . . . 27417 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27417 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 27417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27417 1 2 '2D 1H-13C HSQC' . . . 27417 1 3 '3D HNCO' . . . 27417 1 4 '3D HCACO' . . . 27417 1 5 '3D HN(CO)CA' . . . 27417 1 6 '3D HNCA' . . . 27417 1 7 '3D CBCA(CO)NH' . . . 27417 1 8 '3D HNCACB' . . . 27417 1 9 '3D HBHA(CO)NH' . . . 27417 1 10 '3D HNHAHB' . . . 27417 1 11 '3D 1H-15N NOESY' . . . 27417 1 12 '3D 1H-13C NOESY' . . . 27417 1 13 '3D 1H-13C NOESY' . . . 27417 1 14 '3D HCCH-TOCSY' . . . 27417 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.325 0.01 . 1 . . . . . 2 ALA HA . 27417 1 2 . 1 1 2 2 ALA HB1 H 1 1.362 0.00 . 1 . . . . . 2 ALA HB* . 27417 1 3 . 1 1 2 2 ALA HB2 H 1 1.362 0.00 . 1 . . . . . 2 ALA HB* . 27417 1 4 . 1 1 2 2 ALA HB3 H 1 1.362 0.00 . 1 . . . . . 2 ALA HB* . 27417 1 5 . 1 1 2 2 ALA C C 13 177.731 0.00 . 1 . . . . . 2 ALA C . 27417 1 6 . 1 1 2 2 ALA CA C 13 52.527 0.02 . 1 . . . . . 2 ALA CA . 27417 1 7 . 1 1 2 2 ALA CB C 13 19.288 0.08 . 1 . . . . . 2 ALA CB . 27417 1 8 . 1 1 3 3 MET H H 1 8.433 0.02 . 1 . . . . . 3 MET H . 27417 1 9 . 1 1 3 3 MET HA H 1 4.418 0.01 . 1 . . . . . 3 MET HA . 27417 1 10 . 1 1 3 3 MET HB2 H 1 2.057 0.01 . 2 . . . . . 3 MET HB2 . 27417 1 11 . 1 1 3 3 MET HB3 H 1 1.985 0.00 . 2 . . . . . 3 MET HB3 . 27417 1 12 . 1 1 3 3 MET HG2 H 1 2.591 0.01 . 2 . . . . . 3 MET HG2 . 27417 1 13 . 1 1 3 3 MET HG3 H 1 2.524 0.00 . 2 . . . . . 3 MET HG3 . 27417 1 14 . 1 1 3 3 MET C C 13 176.015 0.02 . 1 . . . . . 3 MET C . 27417 1 15 . 1 1 3 3 MET CA C 13 55.402 0.09 . 1 . . . . . 3 MET CA . 27417 1 16 . 1 1 3 3 MET CB C 13 32.856 0.03 . 1 . . . . . 3 MET CB . 27417 1 17 . 1 1 3 3 MET CG C 13 31.799 0.02 . 1 . . . . . 3 MET CG . 27417 1 18 . 1 1 3 3 MET N N 15 119.958 0.13 . 1 . . . . . 3 MET N . 27417 1 19 . 1 1 4 4 ALA H H 1 8.374 0.01 . 1 . . . . . 4 ALA H . 27417 1 20 . 1 1 4 4 ALA HA H 1 4.274 0.01 . 1 . . . . . 4 ALA HA . 27417 1 21 . 1 1 4 4 ALA HB1 H 1 1.376 0.01 . 1 . . . . . 4 ALA HB* . 27417 1 22 . 1 1 4 4 ALA HB2 H 1 1.376 0.01 . 1 . . . . . 4 ALA HB* . 27417 1 23 . 1 1 4 4 ALA HB3 H 1 1.376 0.01 . 1 . . . . . 4 ALA HB* . 27417 1 24 . 1 1 4 4 ALA C C 13 177.823 0.01 . 1 . . . . . 4 ALA C . 27417 1 25 . 1 1 4 4 ALA CA C 13 52.706 0.05 . 1 . . . . . 4 ALA CA . 27417 1 26 . 1 1 4 4 ALA CB C 13 18.944 0.07 . 1 . . . . . 4 ALA CB . 27417 1 27 . 1 1 4 4 ALA N N 15 125.682 0.06 . 1 . . . . . 4 ALA N . 27417 1 28 . 1 1 5 5 GLN H H 1 8.365 0.02 . 1 . . . . . 5 GLN H . 27417 1 29 . 1 1 5 5 GLN HA H 1 4.260 0.01 . 1 . . . . . 5 GLN HA . 27417 1 30 . 1 1 5 5 GLN HB2 H 1 2.081 0.00 . 2 . . . . . 5 GLN HB2 . 27417 1 31 . 1 1 5 5 GLN HB3 H 1 1.983 0.01 . 2 . . . . . 5 GLN HB3 . 27417 1 32 . 1 1 5 5 GLN HG2 H 1 2.332 0.01 . 2 . . . . . 5 GLN HG* . 27417 1 33 . 1 1 5 5 GLN HG3 H 1 2.332 0.01 . 2 . . . . . 5 GLN HG* . 27417 1 34 . 1 1 5 5 GLN HE21 H 1 7.510 0.02 . 2 . . . . . 5 GLN HE21 . 27417 1 35 . 1 1 5 5 GLN HE22 H 1 6.801 0.02 . 2 . . . . . 5 GLN HE22 . 27417 1 36 . 1 1 5 5 GLN C C 13 176.362 0.02 . 1 . . . . . 5 GLN C . 27417 1 37 . 1 1 5 5 GLN CA C 13 56.226 0.06 . 1 . . . . . 5 GLN CA . 27417 1 38 . 1 1 5 5 GLN CB C 13 29.190 0.03 . 1 . . . . . 5 GLN CB . 27417 1 39 . 1 1 5 5 GLN CG C 13 33.750 0.04 . 1 . . . . . 5 GLN CG . 27417 1 40 . 1 1 5 5 GLN CD C 13 180.339 0.01 . 1 . . . . . 5 GLN CD . 27417 1 41 . 1 1 5 5 GLN N N 15 119.745 0.06 . 1 . . . . . 5 GLN N . 27417 1 42 . 1 1 5 5 GLN NE2 N 15 112.139 0.27 . 1 . . . . . 5 GLN NE2 . 27417 1 43 . 1 1 6 6 GLU H H 1 8.470 0.01 . 1 . . . . . 6 GLU H . 27417 1 44 . 1 1 6 6 GLU HA H 1 4.219 0.01 . 1 . . . . . 6 GLU HA . 27417 1 45 . 1 1 6 6 GLU HB2 H 1 2.046 0.00 . 2 . . . . . 6 GLU HB2 . 27417 1 46 . 1 1 6 6 GLU HB3 H 1 1.969 0.00 . 2 . . . . . 6 GLU HB3 . 27417 1 47 . 1 1 6 6 GLU HG2 H 1 2.240 0.00 . 2 . . . . . 6 GLU HG* . 27417 1 48 . 1 1 6 6 GLU HG3 H 1 2.240 0.00 . 2 . . . . . 6 GLU HG* . 27417 1 49 . 1 1 6 6 GLU C C 13 176.980 0.02 . 1 . . . . . 6 GLU C . 27417 1 50 . 1 1 6 6 GLU CA C 13 57.020 0.11 . 1 . . . . . 6 GLU CA . 27417 1 51 . 1 1 6 6 GLU CB C 13 29.956 0.01 . 1 . . . . . 6 GLU CB . 27417 1 52 . 1 1 6 6 GLU N N 15 121.899 0.08 . 1 . . . . . 6 GLU N . 27417 1 53 . 1 1 7 7 GLU H H 1 8.385 0.01 . 1 . . . . . 7 GLU H . 27417 1 54 . 1 1 7 7 GLU HA H 1 4.225 0.01 . 1 . . . . . 7 GLU HA . 27417 1 55 . 1 1 7 7 GLU HB2 H 1 2.056 0.00 . 2 . . . . . 7 GLU HB2 . 27417 1 56 . 1 1 7 7 GLU HB3 H 1 1.979 0.00 . 2 . . . . . 7 GLU HB3 . 27417 1 57 . 1 1 7 7 GLU C C 13 176.951 0.00 . 1 . . . . . 7 GLU C . 27417 1 58 . 1 1 7 7 GLU CA C 13 57.125 0.15 . 1 . . . . . 7 GLU CA . 27417 1 59 . 1 1 7 7 GLU CB C 13 29.951 0.02 . 1 . . . . . 7 GLU CB . 27417 1 60 . 1 1 7 7 GLU N N 15 122.035 0.07 . 1 . . . . . 7 GLU N . 27417 1 61 . 1 1 8 8 ALA H H 1 8.299 0.02 . 1 . . . . . 8 ALA H . 27417 1 62 . 1 1 8 8 ALA HA H 1 4.277 0.01 . 1 . . . . . 8 ALA HA . 27417 1 63 . 1 1 8 8 ALA HB1 H 1 1.419 0.01 . 1 . . . . . 8 ALA HB* . 27417 1 64 . 1 1 8 8 ALA HB2 H 1 1.419 0.01 . 1 . . . . . 8 ALA HB* . 27417 1 65 . 1 1 8 8 ALA HB3 H 1 1.419 0.01 . 1 . . . . . 8 ALA HB* . 27417 1 66 . 1 1 8 8 ALA C C 13 179.023 0.04 . 1 . . . . . 8 ALA C . 27417 1 67 . 1 1 8 8 ALA CA C 13 53.404 0.12 . 1 . . . . . 8 ALA CA . 27417 1 68 . 1 1 8 8 ALA CB C 13 18.767 0.07 . 1 . . . . . 8 ALA CB . 27417 1 69 . 1 1 8 8 ALA N N 15 124.439 0.15 . 1 . . . . . 8 ALA N . 27417 1 70 . 1 1 9 9 GLY H H 1 8.282 0.01 . 1 . . . . . 9 GLY H . 27417 1 71 . 1 1 9 9 GLY HA2 H 1 3.950 0.01 . 2 . . . . . 9 GLY HA* . 27417 1 72 . 1 1 9 9 GLY HA3 H 1 3.950 0.01 . 2 . . . . . 9 GLY HA* . 27417 1 73 . 1 1 9 9 GLY C C 13 174.592 0.03 . 1 . . . . . 9 GLY C . 27417 1 74 . 1 1 9 9 GLY CA C 13 45.591 0.15 . 1 . . . . . 9 GLY CA . 27417 1 75 . 1 1 9 9 GLY N N 15 106.812 0.14 . 1 . . . . . 9 GLY N . 27417 1 76 . 1 1 10 10 ARG H H 1 8.029 0.01 . 1 . . . . . 10 ARG H . 27417 1 77 . 1 1 10 10 ARG HA H 1 4.372 0.01 . 1 . . . . . 10 ARG HA . 27417 1 78 . 1 1 10 10 ARG HB2 H 1 2.023 0.00 . 2 . . . . . 10 ARG HB2 . 27417 1 79 . 1 1 10 10 ARG C C 13 177.049 0.03 . 1 . . . . . 10 ARG C . 27417 1 80 . 1 1 10 10 ARG CA C 13 56.525 0.03 . 1 . . . . . 10 ARG CA . 27417 1 81 . 1 1 10 10 ARG CB C 13 30.919 0.00 . 1 . . . . . 10 ARG CB . 27417 1 82 . 1 1 10 10 ARG N N 15 119.879 0.11 . 1 . . . . . 10 ARG N . 27417 1 83 . 1 1 11 11 LEU H H 1 8.071 0.01 . 1 . . . . . 11 LEU H . 27417 1 84 . 1 1 11 11 LEU HA H 1 4.163 0.01 . 1 . . . . . 11 LEU HA . 27417 1 85 . 1 1 11 11 LEU HB2 H 1 1.807 0.01 . 2 . . . . . 11 LEU HB2 . 27417 1 86 . 1 1 11 11 LEU HB3 H 1 1.656 0.02 . 2 . . . . . 11 LEU HB3 . 27417 1 87 . 1 1 11 11 LEU HD11 H 1 0.873 0.01 . 2 . . . . . 11 LEU HD1* . 27417 1 88 . 1 1 11 11 LEU HD12 H 1 0.873 0.01 . 2 . . . . . 11 LEU HD1* . 27417 1 89 . 1 1 11 11 LEU HD13 H 1 0.873 0.01 . 2 . . . . . 11 LEU HD1* . 27417 1 90 . 1 1 11 11 LEU CA C 13 59.084 0.09 . 1 . . . . . 11 LEU CA . 27417 1 91 . 1 1 11 11 LEU CB C 13 39.402 0.11 . 1 . . . . . 11 LEU CB . 27417 1 92 . 1 1 11 11 LEU CD1 C 13 24.581 0.24 . 2 . . . . . 11 LEU CD1 . 27417 1 93 . 1 1 11 11 LEU N N 15 120.984 0.09 . 1 . . . . . 11 LEU N . 27417 1 94 . 1 1 12 12 PRO HA H 1 4.152 0.01 . 1 . . . . . 12 PRO HA . 27417 1 95 . 1 1 12 12 PRO HB2 H 1 2.287 0.01 . 2 . . . . . 12 PRO HB* . 27417 1 96 . 1 1 12 12 PRO HB3 H 1 2.287 0.01 . 2 . . . . . 12 PRO HB* . 27417 1 97 . 1 1 12 12 PRO HG2 H 1 1.319 0.00 . 2 . . . . . 12 PRO HG* . 27417 1 98 . 1 1 12 12 PRO HG3 H 1 1.319 0.00 . 2 . . . . . 12 PRO HG* . 27417 1 99 . 1 1 12 12 PRO HD2 H 1 3.668 0.01 . 2 . . . . . 12 PRO HD2 . 27417 1 100 . 1 1 12 12 PRO HD3 H 1 3.579 0.01 . 2 . . . . . 12 PRO HD3 . 27417 1 101 . 1 1 12 12 PRO C C 13 179.588 0.00 . 1 . . . . . 12 PRO C . 27417 1 102 . 1 1 12 12 PRO CA C 13 66.288 0.13 . 1 . . . . . 12 PRO CA . 27417 1 103 . 1 1 12 12 PRO CB C 13 30.397 0.00 . 1 . . . . . 12 PRO CB . 27417 1 104 . 1 1 12 12 PRO CD C 13 49.714 0.06 . 1 . . . . . 12 PRO CD . 27417 1 105 . 1 1 13 13 GLN H H 1 7.604 0.02 . 1 . . . . . 13 GLN H . 27417 1 106 . 1 1 13 13 GLN HA H 1 4.153 0.01 . 1 . . . . . 13 GLN HA . 27417 1 107 . 1 1 13 13 GLN C C 13 178.482 0.00 . 1 . . . . . 13 GLN C . 27417 1 108 . 1 1 13 13 GLN CA C 13 58.665 0.03 . 1 . . . . . 13 GLN CA . 27417 1 109 . 1 1 13 13 GLN CB C 13 28.404 0.00 . 1 . . . . . 13 GLN CB . 27417 1 110 . 1 1 13 13 GLN N N 15 116.776 0.09 . 1 . . . . . 13 GLN N . 27417 1 111 . 1 1 14 14 VAL H H 1 7.964 0.01 . 1 . . . . . 14 VAL H . 27417 1 112 . 1 1 14 14 VAL HA H 1 3.546 0.03 . 1 . . . . . 14 VAL HA . 27417 1 113 . 1 1 14 14 VAL HB H 1 2.279 0.02 . 1 . . . . . 14 VAL HB . 27417 1 114 . 1 1 14 14 VAL HG11 H 1 1.061 0.03 . 2 . . . . . 14 VAL HG1* . 27417 1 115 . 1 1 14 14 VAL HG12 H 1 1.061 0.03 . 2 . . . . . 14 VAL HG1* . 27417 1 116 . 1 1 14 14 VAL HG13 H 1 1.061 0.03 . 2 . . . . . 14 VAL HG1* . 27417 1 117 . 1 1 14 14 VAL HG21 H 1 0.942 0.02 . 2 . . . . . 14 VAL HG2* . 27417 1 118 . 1 1 14 14 VAL HG22 H 1 0.942 0.02 . 2 . . . . . 14 VAL HG2* . 27417 1 119 . 1 1 14 14 VAL HG23 H 1 0.942 0.02 . 2 . . . . . 14 VAL HG2* . 27417 1 120 . 1 1 14 14 VAL C C 13 177.517 0.00 . 1 . . . . . 14 VAL C . 27417 1 121 . 1 1 14 14 VAL CA C 13 66.143 0.17 . 1 . . . . . 14 VAL CA . 27417 1 122 . 1 1 14 14 VAL CB C 13 31.636 0.09 . 1 . . . . . 14 VAL CB . 27417 1 123 . 1 1 14 14 VAL CG1 C 13 22.169 0.07 . 2 . . . . . 14 VAL CG1 . 27417 1 124 . 1 1 14 14 VAL CG2 C 13 21.768 0.04 . 2 . . . . . 14 VAL CG2 . 27417 1 125 . 1 1 14 14 VAL N N 15 122.676 0.18 . 1 . . . . . 14 VAL N . 27417 1 126 . 1 1 15 15 LEU H H 1 8.521 0.01 . 1 . . . . . 15 LEU H . 27417 1 127 . 1 1 15 15 LEU C C 13 179.882 0.00 . 1 . . . . . 15 LEU C . 27417 1 128 . 1 1 15 15 LEU CA C 13 57.897 0.02 . 1 . . . . . 15 LEU CA . 27417 1 129 . 1 1 15 15 LEU N N 15 118.603 0.08 . 1 . . . . . 15 LEU N . 27417 1 130 . 1 1 16 16 ALA H H 1 7.584 0.01 . 1 . . . . . 16 ALA H . 27417 1 131 . 1 1 16 16 ALA HA H 1 4.119 0.01 . 1 . . . . . 16 ALA HA . 27417 1 132 . 1 1 16 16 ALA HB1 H 1 1.409 0.01 . 1 . . . . . 16 ALA HB* . 27417 1 133 . 1 1 16 16 ALA HB2 H 1 1.409 0.01 . 1 . . . . . 16 ALA HB* . 27417 1 134 . 1 1 16 16 ALA HB3 H 1 1.409 0.01 . 1 . . . . . 16 ALA HB* . 27417 1 135 . 1 1 16 16 ALA C C 13 179.871 0.00 . 1 . . . . . 16 ALA C . 27417 1 136 . 1 1 16 16 ALA CA C 13 54.546 0.03 . 1 . . . . . 16 ALA CA . 27417 1 137 . 1 1 16 16 ALA CB C 13 17.917 0.17 . 1 . . . . . 16 ALA CB . 27417 1 138 . 1 1 16 16 ALA N N 15 121.212 0.13 . 1 . . . . . 16 ALA N . 27417 1 139 . 1 1 17 17 ARG H H 1 7.728 0.01 . 1 . . . . . 17 ARG H . 27417 1 140 . 1 1 17 17 ARG HA H 1 3.897 0.02 . 1 . . . . . 17 ARG HA . 27417 1 141 . 1 1 17 17 ARG HB2 H 1 1.829 0.01 . 2 . . . . . 17 ARG HB2 . 27417 1 142 . 1 1 17 17 ARG HB3 H 1 1.418 0.02 . 2 . . . . . 17 ARG HB3 . 27417 1 143 . 1 1 17 17 ARG HG2 H 1 1.290 0.03 . 2 . . . . . 17 ARG HG2 . 27417 1 144 . 1 1 17 17 ARG HG3 H 1 1.040 0.01 . 2 . . . . . 17 ARG HG3 . 27417 1 145 . 1 1 17 17 ARG HD2 H 1 2.695 0.01 . 2 . . . . . 17 ARG HD2 . 27417 1 146 . 1 1 17 17 ARG HD3 H 1 2.454 0.01 . 2 . . . . . 17 ARG HD3 . 27417 1 147 . 1 1 17 17 ARG C C 13 178.071 0.05 . 1 . . . . . 17 ARG C . 27417 1 148 . 1 1 17 17 ARG CA C 13 59.320 0.26 . 1 . . . . . 17 ARG CA . 27417 1 149 . 1 1 17 17 ARG CB C 13 30.311 0.07 . 1 . . . . . 17 ARG CB . 27417 1 150 . 1 1 17 17 ARG CG C 13 26.703 0.11 . 1 . . . . . 17 ARG CG . 27417 1 151 . 1 1 17 17 ARG CD C 13 43.364 0.13 . 1 . . . . . 17 ARG CD . 27417 1 152 . 1 1 17 17 ARG N N 15 121.342 0.16 . 1 . . . . . 17 ARG N . 27417 1 153 . 1 1 18 18 VAL H H 1 8.552 0.02 . 1 . . . . . 18 VAL H . 27417 1 154 . 1 1 18 18 VAL HA H 1 4.163 0.00 . 1 . . . . . 18 VAL HA . 27417 1 155 . 1 1 18 18 VAL CA C 13 65.615 0.04 . 1 . . . . . 18 VAL CA . 27417 1 156 . 1 1 18 18 VAL N N 15 118.795 0.14 . 1 . . . . . 18 VAL N . 27417 1 157 . 1 1 20 20 THR HA H 1 4.263 0.00 . 1 . . . . . 20 THR HA . 27417 1 158 . 1 1 20 20 THR C C 13 174.240 0.00 . 1 . . . . . 20 THR C . 27417 1 159 . 1 1 20 20 THR CA C 13 62.281 0.13 . 1 . . . . . 20 THR CA . 27417 1 160 . 1 1 20 20 THR CB C 13 69.310 0.00 . 1 . . . . . 20 THR CB . 27417 1 161 . 1 1 21 21 SER H H 1 7.626 0.04 . 1 . . . . . 21 SER H . 27417 1 162 . 1 1 21 21 SER HA H 1 4.494 0.01 . 1 . . . . . 21 SER HA . 27417 1 163 . 1 1 21 21 SER HB2 H 1 3.942 0.00 . 2 . . . . . 21 SER HB2 . 27417 1 164 . 1 1 21 21 SER HB3 H 1 3.762 0.00 . 2 . . . . . 21 SER HB3 . 27417 1 165 . 1 1 21 21 SER C C 13 174.726 0.00 . 1 . . . . . 21 SER C . 27417 1 166 . 1 1 21 21 SER CA C 13 57.425 0.10 . 1 . . . . . 21 SER CA . 27417 1 167 . 1 1 21 21 SER CB C 13 64.506 0.12 . 1 . . . . . 21 SER CB . 27417 1 168 . 1 1 21 21 SER N N 15 114.164 0.23 . 1 . . . . . 21 SER N . 27417 1 169 . 1 1 22 22 HIS H H 1 8.880 0.03 . 1 . . . . . 22 HIS H . 27417 1 170 . 1 1 22 22 HIS C C 13 177.479 0.00 . 1 . . . . . 22 HIS C . 27417 1 171 . 1 1 22 22 HIS CA C 13 57.837 0.04 . 1 . . . . . 22 HIS CA . 27417 1 172 . 1 1 22 22 HIS N N 15 123.082 0.17 . 1 . . . . . 22 HIS N . 27417 1 173 . 1 1 26 26 ASP C C 13 175.971 0.00 . 1 . . . . . 26 ASP C . 27417 1 174 . 1 1 27 27 LEU H H 1 8.675 0.02 . 1 . . . . . 27 LEU H . 27417 1 175 . 1 1 27 27 LEU HA H 1 4.487 0.01 . 1 . . . . . 27 LEU HA . 27417 1 176 . 1 1 27 27 LEU HB2 H 1 1.711 0.01 . 2 . . . . . 27 LEU HB* . 27417 1 177 . 1 1 27 27 LEU HB3 H 1 1.711 0.01 . 2 . . . . . 27 LEU HB* . 27417 1 178 . 1 1 27 27 LEU C C 13 177.497 0.00 . 1 . . . . . 27 LEU C . 27417 1 179 . 1 1 27 27 LEU CA C 13 58.022 0.08 . 1 . . . . . 27 LEU CA . 27417 1 180 . 1 1 27 27 LEU N N 15 128.645 0.10 . 1 . . . . . 27 LEU N . 27417 1 181 . 1 1 28 28 ALA H H 1 8.236 0.01 . 1 . . . . . 28 ALA H . 27417 1 182 . 1 1 28 28 ALA HA H 1 4.038 0.01 . 1 . . . . . 28 ALA HA . 27417 1 183 . 1 1 28 28 ALA HB1 H 1 1.480 0.01 . 1 . . . . . 28 ALA HB* . 27417 1 184 . 1 1 28 28 ALA HB2 H 1 1.480 0.01 . 1 . . . . . 28 ALA HB* . 27417 1 185 . 1 1 28 28 ALA HB3 H 1 1.480 0.01 . 1 . . . . . 28 ALA HB* . 27417 1 186 . 1 1 28 28 ALA C C 13 181.426 0.01 . 1 . . . . . 28 ALA C . 27417 1 187 . 1 1 28 28 ALA CA C 13 55.579 0.12 . 1 . . . . . 28 ALA CA . 27417 1 188 . 1 1 28 28 ALA CB C 13 17.564 0.10 . 1 . . . . . 28 ALA CB . 27417 1 189 . 1 1 28 28 ALA N N 15 120.324 0.15 . 1 . . . . . 28 ALA N . 27417 1 190 . 1 1 29 29 CYS H H 1 7.959 0.01 . 1 . . . . . 29 CYS H . 27417 1 191 . 1 1 29 29 CYS HA H 1 4.089 0.01 . 1 . . . . . 29 CYS HA . 27417 1 192 . 1 1 29 29 CYS HB2 H 1 3.103 0.01 . 2 . . . . . 29 CYS HB2 . 27417 1 193 . 1 1 29 29 CYS HB3 H 1 2.911 0.01 . 2 . . . . . 29 CYS HB3 . 27417 1 194 . 1 1 29 29 CYS C C 13 177.516 0.00 . 1 . . . . . 29 CYS C . 27417 1 195 . 1 1 29 29 CYS CA C 13 62.204 0.05 . 1 . . . . . 29 CYS CA . 27417 1 196 . 1 1 29 29 CYS CB C 13 26.855 0.12 . 1 . . . . . 29 CYS CB . 27417 1 197 . 1 1 29 29 CYS N N 15 116.615 0.10 . 1 . . . . . 29 CYS N . 27417 1 198 . 1 1 30 30 LYS H H 1 8.718 0.02 . 1 . . . . . 30 LYS H . 27417 1 199 . 1 1 30 30 LYS C C 13 178.525 0.00 . 1 . . . . . 30 LYS C . 27417 1 200 . 1 1 30 30 LYS CA C 13 58.503 0.00 . 1 . . . . . 30 LYS CA . 27417 1 201 . 1 1 30 30 LYS CB C 13 30.774 0.00 . 1 . . . . . 30 LYS CB . 27417 1 202 . 1 1 30 30 LYS N N 15 124.926 0.11 . 1 . . . . . 30 LYS N . 27417 1 203 . 1 1 31 31 LEU H H 1 8.843 0.01 . 1 . . . . . 31 LEU H . 27417 1 204 . 1 1 31 31 LEU HA H 1 4.297 0.01 . 1 . . . . . 31 LEU HA . 27417 1 205 . 1 1 31 31 LEU HB2 H 1 1.836 0.01 . 2 . . . . . 31 LEU HB2 . 27417 1 206 . 1 1 31 31 LEU HB3 H 1 1.243 0.01 . 2 . . . . . 31 LEU HB3 . 27417 1 207 . 1 1 31 31 LEU HG H 1 1.616 0.01 . 1 . . . . . 31 LEU HG . 27417 1 208 . 1 1 31 31 LEU HD11 H 1 0.489 0.01 . 2 . . . . . 31 LEU HD1* . 27417 1 209 . 1 1 31 31 LEU HD12 H 1 0.489 0.01 . 2 . . . . . 31 LEU HD1* . 27417 1 210 . 1 1 31 31 LEU HD13 H 1 0.489 0.01 . 2 . . . . . 31 LEU HD1* . 27417 1 211 . 1 1 31 31 LEU HD21 H 1 -0.081 0.02 . 2 . . . . . 31 LEU HD2* . 27417 1 212 . 1 1 31 31 LEU HD22 H 1 -0.081 0.02 . 2 . . . . . 31 LEU HD2* . 27417 1 213 . 1 1 31 31 LEU HD23 H 1 -0.081 0.02 . 2 . . . . . 31 LEU HD2* . 27417 1 214 . 1 1 31 31 LEU C C 13 179.161 0.04 . 1 . . . . . 31 LEU C . 27417 1 215 . 1 1 31 31 LEU CA C 13 58.539 0.24 . 1 . . . . . 31 LEU CA . 27417 1 216 . 1 1 31 31 LEU CB C 13 40.374 0.14 . 1 . . . . . 31 LEU CB . 27417 1 217 . 1 1 31 31 LEU CG C 13 26.833 0.11 . 1 . . . . . 31 LEU CG . 27417 1 218 . 1 1 31 31 LEU CD1 C 13 25.356 0.07 . 2 . . . . . 31 LEU CD1 . 27417 1 219 . 1 1 31 31 LEU CD2 C 13 20.875 0.07 . 2 . . . . . 31 LEU CD2 . 27417 1 220 . 1 1 31 31 LEU N N 15 119.307 0.12 . 1 . . . . . 31 LEU N . 27417 1 221 . 1 1 32 32 ARG H H 1 7.499 0.01 . 1 . . . . . 32 ARG H . 27417 1 222 . 1 1 32 32 ARG HA H 1 4.061 0.04 . 1 . . . . . 32 ARG HA . 27417 1 223 . 1 1 32 32 ARG C C 13 178.494 0.00 . 1 . . . . . 32 ARG C . 27417 1 224 . 1 1 32 32 ARG CA C 13 59.129 0.07 . 1 . . . . . 32 ARG CA . 27417 1 225 . 1 1 32 32 ARG CB C 13 29.998 0.05 . 1 . . . . . 32 ARG CB . 27417 1 226 . 1 1 32 32 ARG N N 15 118.285 0.22 . 1 . . . . . 32 ARG N . 27417 1 227 . 1 1 33 33 PHE H H 1 7.926 0.01 . 1 . . . . . 33 PHE H . 27417 1 228 . 1 1 33 33 PHE HA H 1 4.229 0.01 . 1 . . . . . 33 PHE HA . 27417 1 229 . 1 1 33 33 PHE HB2 H 1 3.459 0.02 . 2 . . . . . 33 PHE HB2 . 27417 1 230 . 1 1 33 33 PHE HB3 H 1 3.050 0.02 . 2 . . . . . 33 PHE HB3 . 27417 1 231 . 1 1 33 33 PHE HD1 H 1 6.763 0.01 . 3 . . . . . 33 PHE HD* . 27417 1 232 . 1 1 33 33 PHE HD2 H 1 6.763 0.01 . 3 . . . . . 33 PHE HD* . 27417 1 233 . 1 1 33 33 PHE C C 13 178.484 0.02 . 1 . . . . . 33 PHE C . 27417 1 234 . 1 1 33 33 PHE CA C 13 61.375 0.21 . 1 . . . . . 33 PHE CA . 27417 1 235 . 1 1 33 33 PHE CB C 13 38.016 0.15 . 1 . . . . . 33 PHE CB . 27417 1 236 . 1 1 33 33 PHE N N 15 122.317 0.14 . 1 . . . . . 33 PHE N . 27417 1 237 . 1 1 34 34 TYR H H 1 8.510 0.01 . 1 . . . . . 34 TYR H . 27417 1 238 . 1 1 34 34 TYR HA H 1 4.289 0.01 . 1 . . . . . 34 TYR HA . 27417 1 239 . 1 1 34 34 TYR CA C 13 64.655 0.03 . 1 . . . . . 34 TYR CA . 27417 1 240 . 1 1 34 34 TYR N N 15 120.410 0.07 . 1 . . . . . 34 TYR N . 27417 1 241 . 1 1 35 35 ASP H H 1 8.380 0.01 . 1 . . . . . 35 ASP H . 27417 1 242 . 1 1 35 35 ASP HA H 1 4.403 0.02 . 1 . . . . . 35 ASP HA . 27417 1 243 . 1 1 35 35 ASP HB2 H 1 3.125 0.01 . 2 . . . . . 35 ASP HB2 . 27417 1 244 . 1 1 35 35 ASP HB3 H 1 2.568 0.02 . 2 . . . . . 35 ASP HB3 . 27417 1 245 . 1 1 35 35 ASP C C 13 178.036 0.00 . 1 . . . . . 35 ASP C . 27417 1 246 . 1 1 35 35 ASP CA C 13 57.219 0.08 . 1 . . . . . 35 ASP CA . 27417 1 247 . 1 1 35 35 ASP CB C 13 40.432 0.10 . 1 . . . . . 35 ASP CB . 27417 1 248 . 1 1 35 35 ASP N N 15 119.519 0.09 . 1 . . . . . 35 ASP N . 27417 1 249 . 1 1 36 36 ASP H H 1 7.362 0.01 . 1 . . . . . 36 ASP H . 27417 1 250 . 1 1 36 36 ASP HA H 1 4.377 0.00 . 1 . . . . . 36 ASP HA . 27417 1 251 . 1 1 36 36 ASP C C 13 177.196 0.02 . 1 . . . . . 36 ASP C . 27417 1 252 . 1 1 36 36 ASP CA C 13 56.126 0.13 . 1 . . . . . 36 ASP CA . 27417 1 253 . 1 1 36 36 ASP CB C 13 41.391 0.04 . 1 . . . . . 36 ASP CB . 27417 1 254 . 1 1 36 36 ASP N N 15 117.439 0.13 . 1 . . . . . 36 ASP N . 27417 1 255 . 1 1 37 37 TRP H H 1 8.200 0.01 . 1 . . . . . 37 TRP H . 27417 1 256 . 1 1 37 37 TRP C C 13 176.992 0.00 . 1 . . . . . 37 TRP C . 27417 1 257 . 1 1 37 37 TRP CA C 13 55.160 0.00 . 1 . . . . . 37 TRP CA . 27417 1 258 . 1 1 37 37 TRP N N 15 120.993 0.11 . 1 . . . . . 37 TRP N . 27417 1 259 . 1 1 38 38 ALA H H 1 7.919 0.01 . 1 . . . . . 38 ALA H . 27417 1 260 . 1 1 38 38 ALA HA H 1 4.172 0.00 . 1 . . . . . 38 ALA HA . 27417 1 261 . 1 1 38 38 ALA HB1 H 1 1.309 0.01 . 1 . . . . . 38 ALA HB* . 27417 1 262 . 1 1 38 38 ALA HB2 H 1 1.309 0.01 . 1 . . . . . 38 ALA HB* . 27417 1 263 . 1 1 38 38 ALA HB3 H 1 1.309 0.01 . 1 . . . . . 38 ALA HB* . 27417 1 264 . 1 1 38 38 ALA C C 13 174.416 0.00 . 1 . . . . . 38 ALA C . 27417 1 265 . 1 1 38 38 ALA CA C 13 57.447 0.28 . 1 . . . . . 38 ALA CA . 27417 1 266 . 1 1 38 38 ALA CB C 13 17.094 0.06 . 1 . . . . . 38 ALA CB . 27417 1 267 . 1 1 38 38 ALA N N 15 118.538 0.07 . 1 . . . . . 38 ALA N . 27417 1 268 . 1 1 39 39 PRO HA H 1 4.239 0.00 . 1 . . . . . 39 PRO HA . 27417 1 269 . 1 1 39 39 PRO HD2 H 1 3.894 0.00 . 2 . . . . . 39 PRO HD1 . 27417 1 270 . 1 1 39 39 PRO HD3 H 1 3.653 0.00 . 2 . . . . . 39 PRO HD2 . 27417 1 271 . 1 1 39 39 PRO C C 13 177.204 0.00 . 1 . . . . . 39 PRO C . 27417 1 272 . 1 1 39 39 PRO CA C 13 65.618 0.05 . 1 . . . . . 39 PRO CA . 27417 1 273 . 1 1 39 39 PRO CB C 13 31.574 0.00 . 1 . . . . . 39 PRO CB . 27417 1 274 . 1 1 40 40 GLU H H 1 8.295 0.01 . 1 . . . . . 40 GLU H . 27417 1 275 . 1 1 40 40 GLU HA H 1 4.599 0.01 . 1 . . . . . 40 GLU HA . 27417 1 276 . 1 1 40 40 GLU HB2 H 1 2.442 0.01 . 2 . . . . . 40 GLU HB2 . 27417 1 277 . 1 1 40 40 GLU HB3 H 1 1.952 0.01 . 2 . . . . . 40 GLU HB3 . 27417 1 278 . 1 1 40 40 GLU HG2 H 1 2.243 0.02 . 2 . . . . . 40 GLU HG* . 27417 1 279 . 1 1 40 40 GLU HG3 H 1 2.243 0.02 . 2 . . . . . 40 GLU HG* . 27417 1 280 . 1 1 40 40 GLU C C 13 174.706 0.01 . 1 . . . . . 40 GLU C . 27417 1 281 . 1 1 40 40 GLU CA C 13 55.797 0.12 . 1 . . . . . 40 GLU CA . 27417 1 282 . 1 1 40 40 GLU CB C 13 31.765 0.08 . 1 . . . . . 40 GLU CB . 27417 1 283 . 1 1 40 40 GLU CG C 13 36.769 0.01 . 1 . . . . . 40 GLU CG . 27417 1 284 . 1 1 40 40 GLU N N 15 115.263 0.07 . 1 . . . . . 40 GLU N . 27417 1 285 . 1 1 41 41 TYR H H 1 7.253 0.02 . 1 . . . . . 41 TYR H . 27417 1 286 . 1 1 41 41 TYR HA H 1 2.983 0.01 . 1 . . . . . 41 TYR HA . 27417 1 287 . 1 1 41 41 TYR HB2 H 1 2.579 0.02 . 2 . . . . . 41 TYR HB2 . 27417 1 288 . 1 1 41 41 TYR HB3 H 1 1.901 0.02 . 2 . . . . . 41 TYR HB3 . 27417 1 289 . 1 1 41 41 TYR C C 13 175.638 0.00 . 1 . . . . . 41 TYR C . 27417 1 290 . 1 1 41 41 TYR CA C 13 62.261 0.13 . 1 . . . . . 41 TYR CA . 27417 1 291 . 1 1 41 41 TYR CB C 13 38.789 0.16 . 1 . . . . . 41 TYR CB . 27417 1 292 . 1 1 41 41 TYR N N 15 122.764 0.12 . 1 . . . . . 41 TYR N . 27417 1 293 . 1 1 42 42 ASP H H 1 8.899 0.00 . 1 . . . . . 42 ASP H . 27417 1 294 . 1 1 42 42 ASP HA H 1 4.125 0.02 . 1 . . . . . 42 ASP HA . 27417 1 295 . 1 1 42 42 ASP HB2 H 1 2.606 0.02 . 2 . . . . . 42 ASP HB2 . 27417 1 296 . 1 1 42 42 ASP HB3 H 1 2.493 0.02 . 2 . . . . . 42 ASP HB3 . 27417 1 297 . 1 1 42 42 ASP C C 13 180.017 0.04 . 1 . . . . . 42 ASP C . 27417 1 298 . 1 1 42 42 ASP CA C 13 57.713 0.04 . 1 . . . . . 42 ASP CA . 27417 1 299 . 1 1 42 42 ASP CB C 13 39.199 0.09 . 1 . . . . . 42 ASP CB . 27417 1 300 . 1 1 42 42 ASP N N 15 118.379 0.10 . 1 . . . . . 42 ASP N . 27417 1 301 . 1 1 43 43 GLN H H 1 8.054 0.01 . 1 . . . . . 43 GLN H . 27417 1 302 . 1 1 43 43 GLN HA H 1 4.076 0.00 . 1 . . . . . 43 GLN HA . 27417 1 303 . 1 1 43 43 GLN HB2 H 1 2.088 0.00 . 2 . . . . . 43 GLN HB* . 27417 1 304 . 1 1 43 43 GLN HB3 H 1 2.088 0.00 . 2 . . . . . 43 GLN HB* . 27417 1 305 . 1 1 43 43 GLN HG2 H 1 2.445 0.01 . 2 . . . . . 43 GLN HG* . 27417 1 306 . 1 1 43 43 GLN HG3 H 1 2.445 0.01 . 2 . . . . . 43 GLN HG* . 27417 1 307 . 1 1 43 43 GLN HE21 H 1 7.626 0.01 . 2 . . . . . 43 GLN HE21 . 27417 1 308 . 1 1 43 43 GLN HE22 H 1 6.853 0.01 . 2 . . . . . 43 GLN HE22 . 27417 1 309 . 1 1 43 43 GLN C C 13 178.685 0.02 . 1 . . . . . 43 GLN C . 27417 1 310 . 1 1 43 43 GLN CA C 13 58.281 0.07 . 1 . . . . . 43 GLN CA . 27417 1 311 . 1 1 43 43 GLN CB C 13 28.319 0.03 . 1 . . . . . 43 GLN CB . 27417 1 312 . 1 1 43 43 GLN CG C 13 34.082 0.02 . 1 . . . . . 43 GLN CG . 27417 1 313 . 1 1 43 43 GLN CD C 13 180.522 0.00 . 1 . . . . . 43 GLN CD . 27417 1 314 . 1 1 43 43 GLN N N 15 118.599 0.09 . 1 . . . . . 43 GLN N . 27417 1 315 . 1 1 43 43 GLN NE2 N 15 111.883 0.23 . 1 . . . . . 43 GLN NE2 . 27417 1 316 . 1 1 44 44 ASP H H 1 8.147 0.01 . 1 . . . . . 44 ASP H . 27417 1 317 . 1 1 44 44 ASP HA H 1 4.479 0.00 . 1 . . . . . 44 ASP HA . 27417 1 318 . 1 1 44 44 ASP HB2 H 1 3.127 0.01 . 2 . . . . . 44 ASP HB2 . 27417 1 319 . 1 1 44 44 ASP HB3 H 1 2.648 0.01 . 2 . . . . . 44 ASP HB3 . 27417 1 320 . 1 1 44 44 ASP C C 13 178.579 0.09 . 1 . . . . . 44 ASP C . 27417 1 321 . 1 1 44 44 ASP CA C 13 57.636 0.04 . 1 . . . . . 44 ASP CA . 27417 1 322 . 1 1 44 44 ASP CB C 13 39.989 0.12 . 1 . . . . . 44 ASP CB . 27417 1 323 . 1 1 44 44 ASP N N 15 124.002 0.10 . 1 . . . . . 44 ASP N . 27417 1 324 . 1 1 45 45 VAL H H 1 8.788 0.01 . 1 . . . . . 45 VAL H . 27417 1 325 . 1 1 45 45 VAL HA H 1 3.976 0.01 . 1 . . . . . 45 VAL HA . 27417 1 326 . 1 1 45 45 VAL HB H 1 1.831 0.02 . 1 . . . . . 45 VAL HB . 27417 1 327 . 1 1 45 45 VAL HG11 H 1 0.650 0.02 . 2 . . . . . 45 VAL HG1* . 27417 1 328 . 1 1 45 45 VAL HG12 H 1 0.650 0.02 . 2 . . . . . 45 VAL HG1* . 27417 1 329 . 1 1 45 45 VAL HG13 H 1 0.650 0.02 . 2 . . . . . 45 VAL HG1* . 27417 1 330 . 1 1 45 45 VAL HG21 H 1 -0.031 0.02 . 2 . . . . . 45 VAL HG2* . 27417 1 331 . 1 1 45 45 VAL HG22 H 1 -0.031 0.02 . 2 . . . . . 45 VAL HG2* . 27417 1 332 . 1 1 45 45 VAL HG23 H 1 -0.031 0.02 . 2 . . . . . 45 VAL HG2* . 27417 1 333 . 1 1 45 45 VAL C C 13 178.866 0.05 . 1 . . . . . 45 VAL C . 27417 1 334 . 1 1 45 45 VAL CA C 13 65.085 0.11 . 1 . . . . . 45 VAL CA . 27417 1 335 . 1 1 45 45 VAL CB C 13 29.374 0.00 . 1 . . . . . 45 VAL CB . 27417 1 336 . 1 1 45 45 VAL CG1 C 13 18.580 0.14 . 2 . . . . . 45 VAL CG1 . 27417 1 337 . 1 1 45 45 VAL CG2 C 13 20.435 0.08 . 2 . . . . . 45 VAL CG2 . 27417 1 338 . 1 1 45 45 VAL N N 15 113.285 0.11 . 1 . . . . . 45 VAL N . 27417 1 339 . 1 1 46 46 ALA H H 1 7.535 0.01 . 1 . . . . . 46 ALA H . 27417 1 340 . 1 1 46 46 ALA HA H 1 4.389 0.02 . 1 . . . . . 46 ALA HA . 27417 1 341 . 1 1 46 46 ALA HB1 H 1 1.515 0.01 . 1 . . . . . 46 ALA HB* . 27417 1 342 . 1 1 46 46 ALA HB2 H 1 1.515 0.01 . 1 . . . . . 46 ALA HB* . 27417 1 343 . 1 1 46 46 ALA HB3 H 1 1.515 0.01 . 1 . . . . . 46 ALA HB* . 27417 1 344 . 1 1 46 46 ALA C C 13 182.579 0.01 . 1 . . . . . 46 ALA C . 27417 1 345 . 1 1 46 46 ALA CA C 13 54.900 0.02 . 1 . . . . . 46 ALA CA . 27417 1 346 . 1 1 46 46 ALA CB C 13 17.492 0.02 . 1 . . . . . 46 ALA CB . 27417 1 347 . 1 1 46 46 ALA N N 15 123.654 0.14 . 1 . . . . . 46 ALA N . 27417 1 348 . 1 1 47 47 ALA H H 1 7.451 0.02 . 1 . . . . . 47 ALA H . 27417 1 349 . 1 1 47 47 ALA HA H 1 4.176 0.01 . 1 . . . . . 47 ALA HA . 27417 1 350 . 1 1 47 47 ALA HB1 H 1 1.588 0.01 . 1 . . . . . 47 ALA HB* . 27417 1 351 . 1 1 47 47 ALA HB2 H 1 1.588 0.01 . 1 . . . . . 47 ALA HB* . 27417 1 352 . 1 1 47 47 ALA HB3 H 1 1.588 0.01 . 1 . . . . . 47 ALA HB* . 27417 1 353 . 1 1 47 47 ALA C C 13 177.464 0.00 . 1 . . . . . 47 ALA C . 27417 1 354 . 1 1 47 47 ALA CA C 13 54.577 0.04 . 1 . . . . . 47 ALA CA . 27417 1 355 . 1 1 47 47 ALA CB C 13 17.614 0.03 . 1 . . . . . 47 ALA CB . 27417 1 356 . 1 1 47 47 ALA N N 15 123.836 0.11 . 1 . . . . . 47 ALA N . 27417 1 357 . 1 1 48 48 LEU H H 1 7.333 0.01 . 1 . . . . . 48 LEU H . 27417 1 358 . 1 1 48 48 LEU HA H 1 4.067 0.04 . 1 . . . . . 48 LEU HA . 27417 1 359 . 1 1 48 48 LEU HB2 H 1 1.985 0.02 . 2 . . . . . 48 LEU HB2 . 27417 1 360 . 1 1 48 48 LEU HB3 H 1 1.485 0.00 . 2 . . . . . 48 LEU HB3 . 27417 1 361 . 1 1 48 48 LEU HD11 H 1 0.814 0.00 . 2 . . . . . 48 LEU HD1* . 27417 1 362 . 1 1 48 48 LEU HD12 H 1 0.814 0.00 . 2 . . . . . 48 LEU HD1* . 27417 1 363 . 1 1 48 48 LEU HD13 H 1 0.814 0.00 . 2 . . . . . 48 LEU HD1* . 27417 1 364 . 1 1 48 48 LEU C C 13 174.661 0.00 . 1 . . . . . 48 LEU C . 27417 1 365 . 1 1 48 48 LEU CA C 13 53.555 0.06 . 1 . . . . . 48 LEU CA . 27417 1 366 . 1 1 48 48 LEU CB C 13 43.552 0.09 . 1 . . . . . 48 LEU CB . 27417 1 367 . 1 1 48 48 LEU N N 15 115.737 0.17 . 1 . . . . . 48 LEU N . 27417 1 368 . 1 1 49 49 LYS H H 1 7.754 0.02 . 1 . . . . . 49 LYS H . 27417 1 369 . 1 1 49 49 LYS HA H 1 3.804 0.01 . 1 . . . . . 49 LYS HA . 27417 1 370 . 1 1 49 49 LYS C C 13 174.913 0.00 . 1 . . . . . 49 LYS C . 27417 1 371 . 1 1 49 49 LYS CA C 13 56.647 0.16 . 1 . . . . . 49 LYS CA . 27417 1 372 . 1 1 49 49 LYS CB C 13 28.993 0.00 . 1 . . . . . 49 LYS CB . 27417 1 373 . 1 1 49 49 LYS N N 15 112.769 0.16 . 1 . . . . . 49 LYS N . 27417 1 374 . 1 1 50 50 TYR H H 1 7.440 0.02 . 1 . . . . . 50 TYR H . 27417 1 375 . 1 1 50 50 TYR HA H 1 4.788 0.00 . 1 . . . . . 50 TYR HA . 27417 1 376 . 1 1 50 50 TYR HB2 H 1 3.006 0.01 . 2 . . . . . 50 TYR HB2 . 27417 1 377 . 1 1 50 50 TYR HB3 H 1 2.681 0.02 . 2 . . . . . 50 TYR HB3 . 27417 1 378 . 1 1 50 50 TYR C C 13 176.669 0.00 . 1 . . . . . 50 TYR C . 27417 1 379 . 1 1 50 50 TYR CA C 13 57.144 0.07 . 1 . . . . . 50 TYR CA . 27417 1 380 . 1 1 50 50 TYR CB C 13 39.832 0.23 . 1 . . . . . 50 TYR CB . 27417 1 381 . 1 1 50 50 TYR N N 15 116.646 0.09 . 1 . . . . . 50 TYR N . 27417 1 382 . 1 1 51 51 ARG H H 1 7.019 0.00 . 1 . . . . . 51 ARG H . 27417 1 383 . 1 1 51 51 ARG C C 13 174.946 0.00 . 1 . . . . . 51 ARG C . 27417 1 384 . 1 1 52 52 ALA H H 1 5.976 0.06 . 1 . . . . . 52 ALA H . 27417 1 385 . 1 1 52 52 ALA HA H 1 3.058 0.02 . 1 . . . . . 52 ALA HA . 27417 1 386 . 1 1 52 52 ALA HB1 H 1 0.199 0.04 . 1 . . . . . 52 ALA HB* . 27417 1 387 . 1 1 52 52 ALA HB2 H 1 0.199 0.04 . 1 . . . . . 52 ALA HB* . 27417 1 388 . 1 1 52 52 ALA HB3 H 1 0.199 0.04 . 1 . . . . . 52 ALA HB* . 27417 1 389 . 1 1 52 52 ALA CA C 13 56.225 0.09 . 1 . . . . . 52 ALA CA . 27417 1 390 . 1 1 52 52 ALA CB C 13 16.661 0.21 . 1 . . . . . 52 ALA CB . 27417 1 391 . 1 1 52 52 ALA N N 15 120.581 0.14 . 1 . . . . . 52 ALA N . 27417 1 392 . 1 1 53 53 PRO HD2 H 1 2.154 0.02 . 2 . . . . . 53 PRO HD2 . 27417 1 393 . 1 1 53 53 PRO HD3 H 1 2.553 0.01 . 2 . . . . . 53 PRO HD3 . 27417 1 394 . 1 1 53 53 PRO C C 13 177.133 0.00 . 1 . . . . . 53 PRO C . 27417 1 395 . 1 1 53 53 PRO CA C 13 67.624 0.13 . 1 . . . . . 53 PRO CA . 27417 1 396 . 1 1 53 53 PRO CB C 13 30.573 0.00 . 1 . . . . . 53 PRO CB . 27417 1 397 . 1 1 53 53 PRO CD C 13 49.003 0.08 . 1 . . . . . 53 PRO CD . 27417 1 398 . 1 1 54 54 ARG H H 1 7.126 0.01 . 1 . . . . . 54 ARG H . 27417 1 399 . 1 1 54 54 ARG HA H 1 3.558 0.01 . 1 . . . . . 54 ARG HA . 27417 1 400 . 1 1 54 54 ARG HB2 H 1 1.578 0.01 . 2 . . . . . 54 ARG HB* . 27417 1 401 . 1 1 54 54 ARG HB3 H 1 1.578 0.01 . 2 . . . . . 54 ARG HB* . 27417 1 402 . 1 1 54 54 ARG HG2 H 1 1.402 0.02 . 2 . . . . . 54 ARG HG* . 27417 1 403 . 1 1 54 54 ARG HG3 H 1 1.402 0.02 . 2 . . . . . 54 ARG HG* . 27417 1 404 . 1 1 54 54 ARG C C 13 178.017 0.08 . 1 . . . . . 54 ARG C . 27417 1 405 . 1 1 54 54 ARG CA C 13 59.324 0.08 . 1 . . . . . 54 ARG CA . 27417 1 406 . 1 1 54 54 ARG CB C 13 29.684 0.00 . 1 . . . . . 54 ARG CB . 27417 1 407 . 1 1 54 54 ARG CG C 13 26.328 0.00 . 1 . . . . . 54 ARG CG . 27417 1 408 . 1 1 54 54 ARG N N 15 115.745 0.12 . 1 . . . . . 54 ARG N . 27417 1 409 . 1 1 55 55 LEU H H 1 7.525 0.03 . 1 . . . . . 55 LEU H . 27417 1 410 . 1 1 55 55 LEU HA H 1 3.958 0.00 . 1 . . . . . 55 LEU HA . 27417 1 411 . 1 1 55 55 LEU C C 13 180.026 0.05 . 1 . . . . . 55 LEU C . 27417 1 412 . 1 1 55 55 LEU CA C 13 57.302 0.12 . 1 . . . . . 55 LEU CA . 27417 1 413 . 1 1 55 55 LEU CB C 13 42.145 0.00 . 1 . . . . . 55 LEU CB . 27417 1 414 . 1 1 55 55 LEU N N 15 117.822 0.25 . 1 . . . . . 55 LEU N . 27417 1 415 . 1 1 56 56 ALA H H 1 8.823 0.03 . 1 . . . . . 56 ALA H . 27417 1 416 . 1 1 56 56 ALA HA H 1 3.839 0.01 . 1 . . . . . 56 ALA HA . 27417 1 417 . 1 1 56 56 ALA HB1 H 1 1.297 0.01 . 1 . . . . . 56 ALA HB* . 27417 1 418 . 1 1 56 56 ALA HB2 H 1 1.297 0.01 . 1 . . . . . 56 ALA HB* . 27417 1 419 . 1 1 56 56 ALA HB3 H 1 1.297 0.01 . 1 . . . . . 56 ALA HB* . 27417 1 420 . 1 1 56 56 ALA C C 13 178.523 0.01 . 1 . . . . . 56 ALA C . 27417 1 421 . 1 1 56 56 ALA CA C 13 55.464 0.06 . 1 . . . . . 56 ALA CA . 27417 1 422 . 1 1 56 56 ALA CB C 13 19.056 0.11 . 1 . . . . . 56 ALA CB . 27417 1 423 . 1 1 56 56 ALA N N 15 122.640 0.19 . 1 . . . . . 56 ALA N . 27417 1 424 . 1 1 57 57 VAL H H 1 7.750 0.01 . 1 . . . . . 57 VAL H . 27417 1 425 . 1 1 57 57 VAL HA H 1 3.300 0.01 . 1 . . . . . 57 VAL HA . 27417 1 426 . 1 1 57 57 VAL HB H 1 1.988 0.01 . 1 . . . . . 57 VAL HB . 27417 1 427 . 1 1 57 57 VAL HG11 H 1 0.914 0.01 . 2 . . . . . 57 VAL HG1* . 27417 1 428 . 1 1 57 57 VAL HG12 H 1 0.914 0.01 . 2 . . . . . 57 VAL HG1* . 27417 1 429 . 1 1 57 57 VAL HG13 H 1 0.914 0.01 . 2 . . . . . 57 VAL HG1* . 27417 1 430 . 1 1 57 57 VAL HG21 H 1 0.732 0.02 . 2 . . . . . 57 VAL HG2* . 27417 1 431 . 1 1 57 57 VAL HG22 H 1 0.732 0.02 . 2 . . . . . 57 VAL HG2* . 27417 1 432 . 1 1 57 57 VAL HG23 H 1 0.732 0.02 . 2 . . . . . 57 VAL HG2* . 27417 1 433 . 1 1 57 57 VAL C C 13 178.178 0.06 . 1 . . . . . 57 VAL C . 27417 1 434 . 1 1 57 57 VAL CA C 13 66.974 0.12 . 1 . . . . . 57 VAL CA . 27417 1 435 . 1 1 57 57 VAL CB C 13 30.605 0.03 . 1 . . . . . 57 VAL CB . 27417 1 436 . 1 1 57 57 VAL CG1 C 13 25.566 0.11 . 2 . . . . . 57 VAL CG1 . 27417 1 437 . 1 1 57 57 VAL N N 15 116.693 0.12 . 1 . . . . . 57 VAL N . 27417 1 438 . 1 1 58 58 ASP H H 1 8.464 0.01 . 1 . . . . . 58 ASP H . 27417 1 439 . 1 1 58 58 ASP HA H 1 4.228 0.01 . 1 . . . . . 58 ASP HA . 27417 1 440 . 1 1 58 58 ASP HB2 H 1 2.792 0.01 . 2 . . . . . 58 ASP HB2 . 27417 1 441 . 1 1 58 58 ASP HB3 H 1 2.594 0.01 . 2 . . . . . 58 ASP HB3 . 27417 1 442 . 1 1 58 58 ASP C C 13 177.323 0.00 . 1 . . . . . 58 ASP C . 27417 1 443 . 1 1 58 58 ASP CA C 13 58.307 0.14 . 1 . . . . . 58 ASP CA . 27417 1 444 . 1 1 58 58 ASP CB C 13 40.945 0.09 . 1 . . . . . 58 ASP CB . 27417 1 445 . 1 1 58 58 ASP N N 15 123.558 0.14 . 1 . . . . . 58 ASP N . 27417 1 446 . 1 1 59 59 CYS H H 1 7.315 0.01 . 1 . . . . . 59 CYS H . 27417 1 447 . 1 1 59 59 CYS HA H 1 3.947 0.01 . 1 . . . . . 59 CYS HA . 27417 1 448 . 1 1 59 59 CYS HB2 H 1 3.004 0.01 . 2 . . . . . 59 CYS HB2 . 27417 1 449 . 1 1 59 59 CYS HB3 H 1 2.890 0.00 . 2 . . . . . 59 CYS HB3 . 27417 1 450 . 1 1 59 59 CYS C C 13 176.695 0.02 . 1 . . . . . 59 CYS C . 27417 1 451 . 1 1 59 59 CYS CA C 13 62.488 0.14 . 1 . . . . . 59 CYS CA . 27417 1 452 . 1 1 59 59 CYS CB C 13 26.333 0.07 . 1 . . . . . 59 CYS CB . 27417 1 453 . 1 1 59 59 CYS N N 15 118.223 0.13 . 1 . . . . . 59 CYS N . 27417 1 454 . 1 1 60 60 LEU H H 1 8.067 0.01 . 1 . . . . . 60 LEU H . 27417 1 455 . 1 1 60 60 LEU HA H 1 3.902 0.02 . 1 . . . . . 60 LEU HA . 27417 1 456 . 1 1 60 60 LEU HB2 H 1 1.734 0.01 . 2 . . . . . 60 LEU HB2 . 27417 1 457 . 1 1 60 60 LEU HB3 H 1 1.440 0.01 . 2 . . . . . 60 LEU HB3 . 27417 1 458 . 1 1 60 60 LEU HG H 1 1.273 0.01 . 1 . . . . . 60 LEU HG . 27417 1 459 . 1 1 60 60 LEU HD11 H 1 0.712 0.01 . 2 . . . . . 60 LEU HD1* . 27417 1 460 . 1 1 60 60 LEU HD12 H 1 0.712 0.01 . 2 . . . . . 60 LEU HD1* . 27417 1 461 . 1 1 60 60 LEU HD13 H 1 0.712 0.01 . 2 . . . . . 60 LEU HD1* . 27417 1 462 . 1 1 60 60 LEU HD21 H 1 0.240 0.01 . 2 . . . . . 60 LEU HD2* . 27417 1 463 . 1 1 60 60 LEU HD22 H 1 0.240 0.01 . 2 . . . . . 60 LEU HD2* . 27417 1 464 . 1 1 60 60 LEU HD23 H 1 0.240 0.01 . 2 . . . . . 60 LEU HD2* . 27417 1 465 . 1 1 60 60 LEU C C 13 177.881 0.00 . 1 . . . . . 60 LEU C . 27417 1 466 . 1 1 60 60 LEU CA C 13 58.736 0.19 . 1 . . . . . 60 LEU CA . 27417 1 467 . 1 1 60 60 LEU CB C 13 42.550 0.13 . 1 . . . . . 60 LEU CB . 27417 1 468 . 1 1 60 60 LEU CG C 13 26.993 0.00 . 1 . . . . . 60 LEU CG . 27417 1 469 . 1 1 60 60 LEU CD1 C 13 25.057 0.02 . 2 . . . . . 60 LEU CD1 . 27417 1 470 . 1 1 60 60 LEU CD2 C 13 25.216 0.10 . 2 . . . . . 60 LEU CD2 . 27417 1 471 . 1 1 60 60 LEU N N 15 119.139 0.13 . 1 . . . . . 60 LEU N . 27417 1 472 . 1 1 61 61 SER H H 1 8.874 0.01 . 1 . . . . . 61 SER H . 27417 1 473 . 1 1 61 61 SER HA H 1 4.119 0.01 . 1 . . . . . 61 SER HA . 27417 1 474 . 1 1 61 61 SER HB2 H 1 4.085 0.00 . 2 . . . . . 61 SER HB2 . 27417 1 475 . 1 1 61 61 SER HB3 H 1 3.982 0.00 . 2 . . . . . 61 SER HB3 . 27417 1 476 . 1 1 61 61 SER C C 13 176.535 0.00 . 1 . . . . . 61 SER C . 27417 1 477 . 1 1 61 61 SER CA C 13 62.392 0.07 . 1 . . . . . 61 SER CA . 27417 1 478 . 1 1 61 61 SER CB C 13 63.208 0.07 . 1 . . . . . 61 SER CB . 27417 1 479 . 1 1 61 61 SER N N 15 112.110 0.08 . 1 . . . . . 61 SER N . 27417 1 480 . 1 1 62 62 ARG H H 1 7.641 0.01 . 1 . . . . . 62 ARG H . 27417 1 481 . 1 1 62 62 ARG HA H 1 4.156 0.01 . 1 . . . . . 62 ARG HA . 27417 1 482 . 1 1 62 62 ARG HB2 H 1 1.911 0.01 . 2 . . . . . 62 ARG HB* . 27417 1 483 . 1 1 62 62 ARG HB3 H 1 1.911 0.01 . 2 . . . . . 62 ARG HB* . 27417 1 484 . 1 1 62 62 ARG C C 13 177.164 0.02 . 1 . . . . . 62 ARG C . 27417 1 485 . 1 1 62 62 ARG CA C 13 58.551 0.02 . 1 . . . . . 62 ARG CA . 27417 1 486 . 1 1 62 62 ARG CB C 13 30.278 0.00 . 1 . . . . . 62 ARG CB . 27417 1 487 . 1 1 62 62 ARG N N 15 119.233 0.06 . 1 . . . . . 62 ARG N . 27417 1 488 . 1 1 63 63 ALA H H 1 7.183 0.01 . 1 . . . . . 63 ALA H . 27417 1 489 . 1 1 63 63 ALA HA H 1 4.355 0.01 . 1 . . . . . 63 ALA HA . 27417 1 490 . 1 1 63 63 ALA HB1 H 1 1.362 0.01 . 1 . . . . . 63 ALA HB* . 27417 1 491 . 1 1 63 63 ALA HB2 H 1 1.362 0.01 . 1 . . . . . 63 ALA HB* . 27417 1 492 . 1 1 63 63 ALA HB3 H 1 1.362 0.01 . 1 . . . . . 63 ALA HB* . 27417 1 493 . 1 1 63 63 ALA C C 13 176.988 0.01 . 1 . . . . . 63 ALA C . 27417 1 494 . 1 1 63 63 ALA CA C 13 52.140 0.10 . 1 . . . . . 63 ALA CA . 27417 1 495 . 1 1 63 63 ALA CB C 13 21.259 0.24 . 1 . . . . . 63 ALA CB . 27417 1 496 . 1 1 63 63 ALA N N 15 119.346 0.11 . 1 . . . . . 63 ALA N . 27417 1 497 . 1 1 64 64 PHE H H 1 7.737 0.01 . 1 . . . . . 64 PHE H . 27417 1 498 . 1 1 64 64 PHE HA H 1 4.165 0.01 . 1 . . . . . 64 PHE HA . 27417 1 499 . 1 1 64 64 PHE HB2 H 1 3.241 0.02 . 2 . . . . . 64 PHE HB2 . 27417 1 500 . 1 1 64 64 PHE HB3 H 1 3.166 0.02 . 2 . . . . . 64 PHE HB3 . 27417 1 501 . 1 1 64 64 PHE HD1 H 1 7.208 0.01 . 3 . . . . . 64 PHE HD* . 27417 1 502 . 1 1 64 64 PHE HD2 H 1 7.208 0.01 . 3 . . . . . 64 PHE HD* . 27417 1 503 . 1 1 64 64 PHE HE1 H 1 7.036 0.01 . 3 . . . . . 64 PHE HE* . 27417 1 504 . 1 1 64 64 PHE HE2 H 1 7.036 0.01 . 3 . . . . . 64 PHE HE* . 27417 1 505 . 1 1 64 64 PHE C C 13 175.351 0.00 . 1 . . . . . 64 PHE C . 27417 1 506 . 1 1 64 64 PHE CA C 13 60.103 0.12 . 1 . . . . . 64 PHE CA . 27417 1 507 . 1 1 64 64 PHE CB C 13 39.321 0.04 . 1 . . . . . 64 PHE CB . 27417 1 508 . 1 1 64 64 PHE CD1 C 13 128.957 0.02 . 3 . . . . . 64 PHE CD* . 27417 1 509 . 1 1 64 64 PHE CD2 C 13 128.957 0.02 . 3 . . . . . 64 PHE CD* . 27417 1 510 . 1 1 64 64 PHE N N 15 120.479 0.13 . 1 . . . . . 64 PHE N . 27417 1 511 . 1 1 65 65 ARG H H 1 8.104 0.01 . 1 . . . . . 65 ARG H . 27417 1 512 . 1 1 65 65 ARG HA H 1 4.419 0.01 . 1 . . . . . 65 ARG HA . 27417 1 513 . 1 1 65 65 ARG HB2 H 1 1.757 0.01 . 2 . . . . . 65 ARG HB2 . 27417 1 514 . 1 1 65 65 ARG HB3 H 1 1.541 0.01 . 2 . . . . . 65 ARG HB3 . 27417 1 515 . 1 1 65 65 ARG HG2 H 1 1.641 0.00 . 2 . . . . . 65 ARG HG* . 27417 1 516 . 1 1 65 65 ARG HG3 H 1 1.641 0.00 . 2 . . . . . 65 ARG HG* . 27417 1 517 . 1 1 65 65 ARG HD2 H 1 3.119 0.00 . 2 . . . . . 65 ARG HD* . 27417 1 518 . 1 1 65 65 ARG HD3 H 1 3.119 0.00 . 2 . . . . . 65 ARG HD* . 27417 1 519 . 1 1 65 65 ARG C C 13 175.452 0.02 . 1 . . . . . 65 ARG C . 27417 1 520 . 1 1 65 65 ARG CA C 13 55.136 0.09 . 1 . . . . . 65 ARG CA . 27417 1 521 . 1 1 65 65 ARG CB C 13 30.647 0.09 . 1 . . . . . 65 ARG CB . 27417 1 522 . 1 1 65 65 ARG CD C 13 42.996 0.06 . 1 . . . . . 65 ARG CD . 27417 1 523 . 1 1 65 65 ARG N N 15 127.737 0.10 . 1 . . . . . 65 ARG N . 27417 1 524 . 1 1 66 66 GLY H H 1 6.641 0.01 . 1 . . . . . 66 GLY H . 27417 1 525 . 1 1 66 66 GLY HA2 H 1 3.959 0.01 . 2 . . . . . 66 GLY HA2 . 27417 1 526 . 1 1 66 66 GLY HA3 H 1 3.695 0.02 . 2 . . . . . 66 GLY HA3 . 27417 1 527 . 1 1 66 66 GLY C C 13 172.592 0.02 . 1 . . . . . 66 GLY C . 27417 1 528 . 1 1 66 66 GLY CA C 13 43.770 0.07 . 1 . . . . . 66 GLY CA . 27417 1 529 . 1 1 66 66 GLY N N 15 107.940 0.07 . 1 . . . . . 66 GLY N . 27417 1 530 . 1 1 67 67 SER H H 1 8.575 0.02 . 1 . . . . . 67 SER H . 27417 1 531 . 1 1 67 67 SER HA H 1 4.887 0.01 . 1 . . . . . 67 SER HA . 27417 1 532 . 1 1 67 67 SER HB2 H 1 3.859 0.02 . 2 . . . . . 67 SER HB2 . 27417 1 533 . 1 1 67 67 SER HB3 H 1 3.785 0.01 . 2 . . . . . 67 SER HB3 . 27417 1 534 . 1 1 67 67 SER CA C 13 54.624 0.12 . 1 . . . . . 67 SER CA . 27417 1 535 . 1 1 67 67 SER CB C 13 63.405 0.10 . 1 . . . . . 67 SER CB . 27417 1 536 . 1 1 67 67 SER N N 15 115.759 0.15 . 1 . . . . . 67 SER N . 27417 1 537 . 1 1 68 68 PRO HA H 1 3.625 0.03 . 1 . . . . . 68 PRO HA . 27417 1 538 . 1 1 68 68 PRO HB2 H 1 1.000 0.02 . 2 . . . . . 68 PRO HB2 . 27417 1 539 . 1 1 68 68 PRO HB3 H 1 0.244 0.02 . 2 . . . . . 68 PRO HB3 . 27417 1 540 . 1 1 68 68 PRO HG2 H 1 1.745 0.01 . 2 . . . . . 68 PRO HG2 . 27417 1 541 . 1 1 68 68 PRO HG3 H 1 1.409 0.01 . 2 . . . . . 68 PRO HG3 . 27417 1 542 . 1 1 68 68 PRO HD2 H 1 4.265 0.01 . 2 . . . . . 68 PRO HD2 . 27417 1 543 . 1 1 68 68 PRO HD3 H 1 3.759 0.01 . 2 . . . . . 68 PRO HD3 . 27417 1 544 . 1 1 68 68 PRO C C 13 177.027 0.01 . 1 . . . . . 68 PRO C . 27417 1 545 . 1 1 68 68 PRO CA C 13 65.360 0.11 . 1 . . . . . 68 PRO CA . 27417 1 546 . 1 1 68 68 PRO CB C 13 30.538 0.13 . 1 . . . . . 68 PRO CB . 27417 1 547 . 1 1 68 68 PRO CG C 13 27.450 0.09 . 1 . . . . . 68 PRO CG . 27417 1 548 . 1 1 68 68 PRO CD C 13 51.062 0.17 . 1 . . . . . 68 PRO CD . 27417 1 549 . 1 1 69 69 HIS H H 1 7.581 0.03 . 1 . . . . . 69 HIS H . 27417 1 550 . 1 1 69 69 HIS HA H 1 4.275 0.01 . 1 . . . . . 69 HIS HA . 27417 1 551 . 1 1 69 69 HIS HB2 H 1 3.165 0.02 . 2 . . . . . 69 HIS HB2 . 27417 1 552 . 1 1 69 69 HIS HB3 H 1 3.083 0.01 . 2 . . . . . 69 HIS HB3 . 27417 1 553 . 1 1 69 69 HIS HD2 H 1 7.211 0.01 . 1 . . . . . 69 HIS HD2 . 27417 1 554 . 1 1 69 69 HIS C C 13 175.278 0.01 . 1 . . . . . 69 HIS C . 27417 1 555 . 1 1 69 69 HIS CA C 13 58.610 0.09 . 1 . . . . . 69 HIS CA . 27417 1 556 . 1 1 69 69 HIS CB C 13 29.478 0.18 . 1 . . . . . 69 HIS CB . 27417 1 557 . 1 1 69 69 HIS N N 15 112.971 0.16 . 1 . . . . . 69 HIS N . 27417 1 558 . 1 1 70 70 ASP H H 1 7.213 0.02 . 1 . . . . . 70 ASP H . 27417 1 559 . 1 1 70 70 ASP HA H 1 4.729 0.02 . 1 . . . . . 70 ASP HA . 27417 1 560 . 1 1 70 70 ASP HB2 H 1 2.789 0.03 . 2 . . . . . 70 ASP HB2 . 27417 1 561 . 1 1 70 70 ASP HB3 H 1 2.467 0.02 . 2 . . . . . 70 ASP HB3 . 27417 1 562 . 1 1 70 70 ASP C C 13 175.352 0.06 . 1 . . . . . 70 ASP C . 27417 1 563 . 1 1 70 70 ASP CA C 13 53.534 0.07 . 1 . . . . . 70 ASP CA . 27417 1 564 . 1 1 70 70 ASP CB C 13 42.144 0.07 . 1 . . . . . 70 ASP CB . 27417 1 565 . 1 1 70 70 ASP N N 15 115.557 0.17 . 1 . . . . . 70 ASP N . 27417 1 566 . 1 1 71 71 ALA H H 1 7.136 0.01 . 1 . . . . . 71 ALA H . 27417 1 567 . 1 1 71 71 ALA HA H 1 4.416 0.01 . 1 . . . . . 71 ALA HA . 27417 1 568 . 1 1 71 71 ALA HB1 H 1 1.492 0.01 . 1 . . . . . 71 ALA HB* . 27417 1 569 . 1 1 71 71 ALA HB2 H 1 1.492 0.01 . 1 . . . . . 71 ALA HB* . 27417 1 570 . 1 1 71 71 ALA HB3 H 1 1.492 0.01 . 1 . . . . . 71 ALA HB* . 27417 1 571 . 1 1 71 71 ALA C C 13 175.656 0.02 . 1 . . . . . 71 ALA C . 27417 1 572 . 1 1 71 71 ALA CA C 13 51.773 0.08 . 1 . . . . . 71 ALA CA . 27417 1 573 . 1 1 71 71 ALA CB C 13 21.044 0.06 . 1 . . . . . 71 ALA CB . 27417 1 574 . 1 1 71 71 ALA N N 15 123.440 0.09 . 1 . . . . . 71 ALA N . 27417 1 575 . 1 1 72 72 LEU H H 1 9.985 0.01 . 1 . . . . . 72 LEU H . 27417 1 576 . 1 1 72 72 LEU HA H 1 5.100 0.01 . 1 . . . . . 72 LEU HA . 27417 1 577 . 1 1 72 72 LEU HB2 H 1 1.951 0.01 . 2 . . . . . 72 LEU HB2 . 27417 1 578 . 1 1 72 72 LEU HB3 H 1 1.629 0.01 . 2 . . . . . 72 LEU HB3 . 27417 1 579 . 1 1 72 72 LEU HG H 1 1.714 0.01 . 1 . . . . . 72 LEU HG . 27417 1 580 . 1 1 72 72 LEU HD11 H 1 0.962 0.01 . 2 . . . . . 72 LEU HD1* . 27417 1 581 . 1 1 72 72 LEU HD12 H 1 0.962 0.01 . 2 . . . . . 72 LEU HD1* . 27417 1 582 . 1 1 72 72 LEU HD13 H 1 0.962 0.01 . 2 . . . . . 72 LEU HD1* . 27417 1 583 . 1 1 72 72 LEU HD21 H 1 0.712 0.01 . 2 . . . . . 72 LEU HD2* . 27417 1 584 . 1 1 72 72 LEU HD22 H 1 0.712 0.01 . 2 . . . . . 72 LEU HD2* . 27417 1 585 . 1 1 72 72 LEU HD23 H 1 0.712 0.01 . 2 . . . . . 72 LEU HD2* . 27417 1 586 . 1 1 72 72 LEU C C 13 176.245 0.00 . 1 . . . . . 72 LEU C . 27417 1 587 . 1 1 72 72 LEU CA C 13 54.797 0.10 . 1 . . . . . 72 LEU CA . 27417 1 588 . 1 1 72 72 LEU CB C 13 43.827 0.07 . 1 . . . . . 72 LEU CB . 27417 1 589 . 1 1 72 72 LEU CG C 13 27.435 0.08 . 1 . . . . . 72 LEU CG . 27417 1 590 . 1 1 72 72 LEU CD1 C 13 23.481 0.07 . 2 . . . . . 72 LEU CD1 . 27417 1 591 . 1 1 72 72 LEU CD2 C 13 25.004 0.10 . 2 . . . . . 72 LEU CD2 . 27417 1 592 . 1 1 72 72 LEU N N 15 124.662 0.11 . 1 . . . . . 72 LEU N . 27417 1 593 . 1 1 73 73 ILE H H 1 8.358 0.01 . 1 . . . . . 73 ILE H . 27417 1 594 . 1 1 73 73 ILE HA H 1 5.221 0.01 . 1 . . . . . 73 ILE HA . 27417 1 595 . 1 1 73 73 ILE HB H 1 1.944 0.01 . 1 . . . . . 73 ILE HB . 27417 1 596 . 1 1 73 73 ILE HG12 H 1 1.556 0.01 . 2 . . . . . 73 ILE HG12 . 27417 1 597 . 1 1 73 73 ILE HG13 H 1 1.000 0.01 . 2 . . . . . 73 ILE HG13 . 27417 1 598 . 1 1 73 73 ILE HG21 H 1 0.549 0.01 . 1 . . . . . 73 ILE HG2* . 27417 1 599 . 1 1 73 73 ILE HG22 H 1 0.549 0.01 . 1 . . . . . 73 ILE HG2* . 27417 1 600 . 1 1 73 73 ILE HG23 H 1 0.549 0.01 . 1 . . . . . 73 ILE HG2* . 27417 1 601 . 1 1 73 73 ILE C C 13 173.948 0.02 . 1 . . . . . 73 ILE C . 27417 1 602 . 1 1 73 73 ILE CA C 13 57.615 0.14 . 1 . . . . . 73 ILE CA . 27417 1 603 . 1 1 73 73 ILE CB C 13 38.941 0.10 . 1 . . . . . 73 ILE CB . 27417 1 604 . 1 1 73 73 ILE CG1 C 13 27.196 0.17 . 1 . . . . . 73 ILE CG1 . 27417 1 605 . 1 1 73 73 ILE CG2 C 13 17.310 0.16 . 1 . . . . . 73 ILE CG2 . 27417 1 606 . 1 1 73 73 ILE CD1 C 13 11.427 0.07 . 1 . . . . . 73 ILE CD1 . 27417 1 607 . 1 1 73 73 ILE N N 15 127.527 0.16 . 1 . . . . . 73 ILE N . 27417 1 608 . 1 1 74 74 LEU H H 1 8.065 0.01 . 1 . . . . . 74 LEU H . 27417 1 609 . 1 1 74 74 LEU HA H 1 4.517 0.01 . 1 . . . . . 74 LEU HA . 27417 1 610 . 1 1 74 74 LEU HB2 H 1 1.076 0.02 . 2 . . . . . 74 LEU HB* . 27417 1 611 . 1 1 74 74 LEU HB3 H 1 1.076 0.02 . 2 . . . . . 74 LEU HB* . 27417 1 612 . 1 1 74 74 LEU HG H 1 0.499 0.02 . 1 . . . . . 74 LEU HG . 27417 1 613 . 1 1 74 74 LEU HD11 H 1 0.975 0.02 . 2 . . . . . 74 LEU HD1* . 27417 1 614 . 1 1 74 74 LEU HD12 H 1 0.975 0.02 . 2 . . . . . 74 LEU HD1* . 27417 1 615 . 1 1 74 74 LEU HD13 H 1 0.975 0.02 . 2 . . . . . 74 LEU HD1* . 27417 1 616 . 1 1 74 74 LEU HD21 H 1 0.463 0.01 . 2 . . . . . 74 LEU HD2* . 27417 1 617 . 1 1 74 74 LEU HD22 H 1 0.463 0.01 . 2 . . . . . 74 LEU HD2* . 27417 1 618 . 1 1 74 74 LEU HD23 H 1 0.463 0.01 . 2 . . . . . 74 LEU HD2* . 27417 1 619 . 1 1 74 74 LEU C C 13 172.632 0.00 . 1 . . . . . 74 LEU C . 27417 1 620 . 1 1 74 74 LEU CA C 13 53.077 0.10 . 1 . . . . . 74 LEU CA . 27417 1 621 . 1 1 74 74 LEU CB C 13 41.404 0.09 . 1 . . . . . 74 LEU CB . 27417 1 622 . 1 1 74 74 LEU CG C 13 27.179 0.12 . 1 . . . . . 74 LEU CG . 27417 1 623 . 1 1 74 74 LEU CD1 C 13 26.079 0.17 . 2 . . . . . 74 LEU CD1 . 27417 1 624 . 1 1 74 74 LEU CD2 C 13 21.322 0.07 . 2 . . . . . 74 LEU CD2 . 27417 1 625 . 1 1 74 74 LEU N N 15 127.533 0.09 . 1 . . . . . 74 LEU N . 27417 1 626 . 1 1 75 75 ASP H H 1 9.101 0.01 . 1 . . . . . 75 ASP H . 27417 1 627 . 1 1 75 75 ASP HA H 1 5.103 0.01 . 1 . . . . . 75 ASP HA . 27417 1 628 . 1 1 75 75 ASP HB2 H 1 3.066 0.01 . 2 . . . . . 75 ASP HB2 . 27417 1 629 . 1 1 75 75 ASP HB3 H 1 1.991 0.01 . 2 . . . . . 75 ASP HB3 . 27417 1 630 . 1 1 75 75 ASP C C 13 175.746 0.00 . 1 . . . . . 75 ASP C . 27417 1 631 . 1 1 75 75 ASP CA C 13 52.496 0.12 . 1 . . . . . 75 ASP CA . 27417 1 632 . 1 1 75 75 ASP CB C 13 42.157 0.10 . 1 . . . . . 75 ASP CB . 27417 1 633 . 1 1 75 75 ASP N N 15 128.510 0.09 . 1 . . . . . 75 ASP N . 27417 1 634 . 1 1 76 76 VAL H H 1 9.152 0.01 . 1 . . . . . 76 VAL H . 27417 1 635 . 1 1 76 76 VAL HA H 1 3.590 0.01 . 1 . . . . . 76 VAL HA . 27417 1 636 . 1 1 76 76 VAL HB H 1 1.729 0.00 . 1 . . . . . 76 VAL HB . 27417 1 637 . 1 1 76 76 VAL HG11 H 1 0.704 0.01 . 2 . . . . . 76 VAL HG1* . 27417 1 638 . 1 1 76 76 VAL HG12 H 1 0.704 0.01 . 2 . . . . . 76 VAL HG1* . 27417 1 639 . 1 1 76 76 VAL HG13 H 1 0.704 0.01 . 2 . . . . . 76 VAL HG1* . 27417 1 640 . 1 1 76 76 VAL C C 13 175.725 0.03 . 1 . . . . . 76 VAL C . 27417 1 641 . 1 1 76 76 VAL CA C 13 62.827 0.09 . 1 . . . . . 76 VAL CA . 27417 1 642 . 1 1 76 76 VAL CB C 13 31.654 0.06 . 1 . . . . . 76 VAL CB . 27417 1 643 . 1 1 76 76 VAL CG1 C 13 23.418 0.11 . 2 . . . . . 76 VAL CG1 . 27417 1 644 . 1 1 76 76 VAL N N 15 126.105 0.11 . 1 . . . . . 76 VAL N . 27417 1 645 . 1 1 77 77 ALA H H 1 7.985 0.02 . 1 . . . . . 77 ALA H . 27417 1 646 . 1 1 77 77 ALA HA H 1 4.326 0.01 . 1 . . . . . 77 ALA HA . 27417 1 647 . 1 1 77 77 ALA HB1 H 1 1.040 0.01 . 1 . . . . . 77 ALA HB* . 27417 1 648 . 1 1 77 77 ALA HB2 H 1 1.040 0.01 . 1 . . . . . 77 ALA HB* . 27417 1 649 . 1 1 77 77 ALA HB3 H 1 1.040 0.01 . 1 . . . . . 77 ALA HB* . 27417 1 650 . 1 1 77 77 ALA C C 13 177.322 0.00 . 1 . . . . . 77 ALA C . 27417 1 651 . 1 1 77 77 ALA CA C 13 53.644 0.16 . 1 . . . . . 77 ALA CA . 27417 1 652 . 1 1 77 77 ALA CB C 13 14.907 0.07 . 1 . . . . . 77 ALA CB . 27417 1 653 . 1 1 77 77 ALA N N 15 129.329 0.10 . 1 . . . . . 77 ALA N . 27417 1 654 . 1 1 78 78 CYS H H 1 7.828 0.01 . 1 . . . . . 78 CYS H . 27417 1 655 . 1 1 78 78 CYS C C 13 175.834 0.03 . 1 . . . . . 78 CYS C . 27417 1 656 . 1 1 78 78 CYS CA C 13 57.190 0.04 . 1 . . . . . 78 CYS CA . 27417 1 657 . 1 1 78 78 CYS CB C 13 28.733 0.03 . 1 . . . . . 78 CYS CB . 27417 1 658 . 1 1 78 78 CYS N N 15 114.663 0.15 . 1 . . . . . 78 CYS N . 27417 1 659 . 1 1 79 79 GLY H H 1 9.696 0.01 . 1 . . . . . 79 GLY H . 27417 1 660 . 1 1 79 79 GLY HA2 H 1 3.696 0.00 . 2 . . . . . 79 GLY HA2 . 27417 1 661 . 1 1 79 79 GLY HA3 H 1 3.397 0.01 . 2 . . . . . 79 GLY HA3 . 27417 1 662 . 1 1 79 79 GLY C C 13 172.061 0.00 . 1 . . . . . 79 GLY C . 27417 1 663 . 1 1 79 79 GLY CA C 13 49.908 0.30 . 1 . . . . . 79 GLY CA . 27417 1 664 . 1 1 79 79 GLY N N 15 120.307 0.10 . 1 . . . . . 79 GLY N . 27417 1 665 . 1 1 80 80 THR H H 1 7.120 0.01 . 1 . . . . . 80 THR H . 27417 1 666 . 1 1 80 80 THR HA H 1 4.176 0.01 . 1 . . . . . 80 THR HA . 27417 1 667 . 1 1 80 80 THR HB H 1 4.621 0.02 . 1 . . . . . 80 THR HB . 27417 1 668 . 1 1 80 80 THR HG21 H 1 1.221 0.01 . 1 . . . . . 80 THR HG2* . 27417 1 669 . 1 1 80 80 THR HG22 H 1 1.221 0.01 . 1 . . . . . 80 THR HG2* . 27417 1 670 . 1 1 80 80 THR HG23 H 1 1.221 0.01 . 1 . . . . . 80 THR HG2* . 27417 1 671 . 1 1 80 80 THR C C 13 176.312 0.00 . 1 . . . . . 80 THR C . 27417 1 672 . 1 1 80 80 THR CA C 13 61.491 0.03 . 1 . . . . . 80 THR CA . 27417 1 673 . 1 1 80 80 THR CB C 13 69.267 0.15 . 1 . . . . . 80 THR CB . 27417 1 674 . 1 1 80 80 THR N N 15 111.777 0.10 . 1 . . . . . 80 THR N . 27417 1 675 . 1 1 81 81 GLY H H 1 8.859 0.01 . 1 . . . . . 81 GLY H . 27417 1 676 . 1 1 81 81 GLY HA2 H 1 5.158 0.01 . 2 . . . . . 81 GLY HA2 . 27417 1 677 . 1 1 81 81 GLY HA3 H 1 4.321 0.02 . 2 . . . . . 81 GLY HA3 . 27417 1 678 . 1 1 81 81 GLY C C 13 175.853 0.00 . 1 . . . . . 81 GLY C . 27417 1 679 . 1 1 81 81 GLY CA C 13 47.023 0.14 . 1 . . . . . 81 GLY CA . 27417 1 680 . 1 1 81 81 GLY N N 15 111.107 0.09 . 1 . . . . . 81 GLY N . 27417 1 681 . 1 1 82 82 LEU H H 1 9.006 0.01 . 1 . . . . . 82 LEU H . 27417 1 682 . 1 1 82 82 LEU HA H 1 3.909 0.01 . 1 . . . . . 82 LEU HA . 27417 1 683 . 1 1 82 82 LEU C C 13 181.019 0.01 . 1 . . . . . 82 LEU C . 27417 1 684 . 1 1 82 82 LEU CA C 13 58.559 0.10 . 1 . . . . . 82 LEU CA . 27417 1 685 . 1 1 82 82 LEU CB C 13 41.098 0.00 . 1 . . . . . 82 LEU CB . 27417 1 686 . 1 1 82 82 LEU N N 15 120.690 0.09 . 1 . . . . . 82 LEU N . 27417 1 687 . 1 1 83 83 VAL H H 1 9.269 0.01 . 1 . . . . . 83 VAL H . 27417 1 688 . 1 1 83 83 VAL HA H 1 3.361 0.01 . 1 . . . . . 83 VAL HA . 27417 1 689 . 1 1 83 83 VAL HB H 1 2.541 0.01 . 1 . . . . . 83 VAL HB . 27417 1 690 . 1 1 83 83 VAL HG11 H 1 0.823 0.01 . 2 . . . . . 83 VAL HG1* . 27417 1 691 . 1 1 83 83 VAL HG12 H 1 0.823 0.01 . 2 . . . . . 83 VAL HG1* . 27417 1 692 . 1 1 83 83 VAL HG13 H 1 0.823 0.01 . 2 . . . . . 83 VAL HG1* . 27417 1 693 . 1 1 83 83 VAL HG21 H 1 0.582 0.01 . 2 . . . . . 83 VAL HG2* . 27417 1 694 . 1 1 83 83 VAL HG22 H 1 0.582 0.01 . 2 . . . . . 83 VAL HG2* . 27417 1 695 . 1 1 83 83 VAL HG23 H 1 0.582 0.01 . 2 . . . . . 83 VAL HG2* . 27417 1 696 . 1 1 83 83 VAL C C 13 178.026 0.03 . 1 . . . . . 83 VAL C . 27417 1 697 . 1 1 83 83 VAL CA C 13 66.448 0.10 . 1 . . . . . 83 VAL CA . 27417 1 698 . 1 1 83 83 VAL CB C 13 29.837 0.12 . 1 . . . . . 83 VAL CB . 27417 1 699 . 1 1 83 83 VAL CG1 C 13 24.269 0.08 . 2 . . . . . 83 VAL CG1 . 27417 1 700 . 1 1 83 83 VAL CG2 C 13 21.369 0.09 . 2 . . . . . 83 VAL CG2 . 27417 1 701 . 1 1 83 83 VAL N N 15 117.907 0.10 . 1 . . . . . 83 VAL N . 27417 1 702 . 1 1 84 84 ALA H H 1 6.706 0.01 . 1 . . . . . 84 ALA H . 27417 1 703 . 1 1 84 84 ALA HA H 1 3.817 0.01 . 1 . . . . . 84 ALA HA . 27417 1 704 . 1 1 84 84 ALA HB1 H 1 0.940 0.01 . 1 . . . . . 84 ALA HB* . 27417 1 705 . 1 1 84 84 ALA HB2 H 1 0.940 0.01 . 1 . . . . . 84 ALA HB* . 27417 1 706 . 1 1 84 84 ALA HB3 H 1 0.940 0.01 . 1 . . . . . 84 ALA HB* . 27417 1 707 . 1 1 84 84 ALA C C 13 178.959 0.02 . 1 . . . . . 84 ALA C . 27417 1 708 . 1 1 84 84 ALA CA C 13 55.544 0.13 . 1 . . . . . 84 ALA CA . 27417 1 709 . 1 1 84 84 ALA CB C 13 18.465 0.17 . 1 . . . . . 84 ALA CB . 27417 1 710 . 1 1 84 84 ALA N N 15 121.503 0.06 . 1 . . . . . 84 ALA N . 27417 1 711 . 1 1 85 85 VAL H H 1 7.372 0.01 . 1 . . . . . 85 VAL H . 27417 1 712 . 1 1 85 85 VAL HA H 1 3.329 0.01 . 1 . . . . . 85 VAL HA . 27417 1 713 . 1 1 85 85 VAL HB H 1 2.209 0.01 . 1 . . . . . 85 VAL HB . 27417 1 714 . 1 1 85 85 VAL HG11 H 1 0.978 0.01 . 2 . . . . . 85 VAL HG1* . 27417 1 715 . 1 1 85 85 VAL HG12 H 1 0.978 0.01 . 2 . . . . . 85 VAL HG1* . 27417 1 716 . 1 1 85 85 VAL HG13 H 1 0.978 0.01 . 2 . . . . . 85 VAL HG1* . 27417 1 717 . 1 1 85 85 VAL HG21 H 1 0.831 0.01 . 2 . . . . . 85 VAL HG2* . 27417 1 718 . 1 1 85 85 VAL HG22 H 1 0.831 0.01 . 2 . . . . . 85 VAL HG2* . 27417 1 719 . 1 1 85 85 VAL HG23 H 1 0.831 0.01 . 2 . . . . . 85 VAL HG2* . 27417 1 720 . 1 1 85 85 VAL C C 13 178.973 0.27 . 1 . . . . . 85 VAL C . 27417 1 721 . 1 1 85 85 VAL CA C 13 66.327 0.08 . 1 . . . . . 85 VAL CA . 27417 1 722 . 1 1 85 85 VAL CB C 13 31.913 0.05 . 1 . . . . . 85 VAL CB . 27417 1 723 . 1 1 85 85 VAL CG1 C 13 22.083 0.11 . 2 . . . . . 85 VAL CG1 . 27417 1 724 . 1 1 85 85 VAL CG2 C 13 20.634 0.08 . 2 . . . . . 85 VAL CG2 . 27417 1 725 . 1 1 85 85 VAL N N 15 118.289 0.14 . 1 . . . . . 85 VAL N . 27417 1 726 . 1 1 86 86 GLU H H 1 6.792 0.01 . 1 . . . . . 86 GLU H . 27417 1 727 . 1 1 86 86 GLU HA H 1 4.067 0.00 . 1 . . . . . 86 GLU HA . 27417 1 728 . 1 1 86 86 GLU HB2 H 1 1.932 0.01 . 2 . . . . . 86 GLU HB* . 27417 1 729 . 1 1 86 86 GLU HB3 H 1 1.932 0.01 . 2 . . . . . 86 GLU HB* . 27417 1 730 . 1 1 86 86 GLU HG2 H 1 2.302 0.02 . 2 . . . . . 86 GLU HG2 . 27417 1 731 . 1 1 86 86 GLU HG3 H 1 2.195 0.01 . 2 . . . . . 86 GLU HG3 . 27417 1 732 . 1 1 86 86 GLU C C 13 179.449 0.00 . 1 . . . . . 86 GLU C . 27417 1 733 . 1 1 86 86 GLU CA C 13 57.358 0.04 . 1 . . . . . 86 GLU CA . 27417 1 734 . 1 1 86 86 GLU CG C 13 33.871 0.02 . 1 . . . . . 86 GLU CG . 27417 1 735 . 1 1 86 86 GLU N N 15 117.014 0.10 . 1 . . . . . 86 GLU N . 27417 1 736 . 1 1 87 87 LEU H H 1 8.705 0.01 . 1 . . . . . 87 LEU H . 27417 1 737 . 1 1 87 87 LEU HA H 1 3.869 0.02 . 1 . . . . . 87 LEU HA . 27417 1 738 . 1 1 87 87 LEU HB2 H 1 1.868 0.01 . 2 . . . . . 87 LEU HB2 . 27417 1 739 . 1 1 87 87 LEU HB3 H 1 1.574 0.02 . 2 . . . . . 87 LEU HB3 . 27417 1 740 . 1 1 87 87 LEU HD11 H 1 0.525 0.01 . 2 . . . . . 87 LEU HD1* . 27417 1 741 . 1 1 87 87 LEU HD12 H 1 0.525 0.01 . 2 . . . . . 87 LEU HD1* . 27417 1 742 . 1 1 87 87 LEU HD13 H 1 0.525 0.01 . 2 . . . . . 87 LEU HD1* . 27417 1 743 . 1 1 87 87 LEU HD21 H 1 0.238 0.01 . 2 . . . . . 87 LEU HD2* . 27417 1 744 . 1 1 87 87 LEU HD22 H 1 0.238 0.01 . 2 . . . . . 87 LEU HD2* . 27417 1 745 . 1 1 87 87 LEU HD23 H 1 0.238 0.01 . 2 . . . . . 87 LEU HD2* . 27417 1 746 . 1 1 87 87 LEU C C 13 179.203 0.00 . 1 . . . . . 87 LEU C . 27417 1 747 . 1 1 87 87 LEU CA C 13 58.062 0.10 . 1 . . . . . 87 LEU CA . 27417 1 748 . 1 1 87 87 LEU CB C 13 40.674 0.10 . 1 . . . . . 87 LEU CB . 27417 1 749 . 1 1 87 87 LEU CD1 C 13 27.531 0.11 . 2 . . . . . 87 LEU CD1 . 27417 1 750 . 1 1 87 87 LEU CD2 C 13 23.599 0.03 . 2 . . . . . 87 LEU CD2 . 27417 1 751 . 1 1 87 87 LEU N N 15 121.065 0.06 . 1 . . . . . 87 LEU N . 27417 1 752 . 1 1 88 88 GLN H H 1 8.577 0.01 . 1 . . . . . 88 GLN H . 27417 1 753 . 1 1 88 88 GLN HA H 1 3.830 0.01 . 1 . . . . . 88 GLN HA . 27417 1 754 . 1 1 88 88 GLN HB2 H 1 2.151 0.01 . 2 . . . . . 88 GLN HB2 . 27417 1 755 . 1 1 88 88 GLN HB3 H 1 2.067 0.01 . 2 . . . . . 88 GLN HB3 . 27417 1 756 . 1 1 88 88 GLN HG2 H 1 2.400 0.01 . 2 . . . . . 88 GLN HG2 . 27417 1 757 . 1 1 88 88 GLN HG3 H 1 2.310 0.01 . 2 . . . . . 88 GLN HG3 . 27417 1 758 . 1 1 88 88 GLN C C 13 179.644 0.01 . 1 . . . . . 88 GLN C . 27417 1 759 . 1 1 88 88 GLN CA C 13 59.737 0.06 . 1 . . . . . 88 GLN CA . 27417 1 760 . 1 1 88 88 GLN CB C 13 26.573 0.06 . 1 . . . . . 88 GLN CB . 27417 1 761 . 1 1 88 88 GLN CG C 13 33.372 0.25 . 1 . . . . . 88 GLN CG . 27417 1 762 . 1 1 88 88 GLN N N 15 121.008 0.15 . 1 . . . . . 88 GLN N . 27417 1 763 . 1 1 89 89 ALA H H 1 7.312 0.01 . 1 . . . . . 89 ALA H . 27417 1 764 . 1 1 89 89 ALA HA H 1 4.115 0.01 . 1 . . . . . 89 ALA HA . 27417 1 765 . 1 1 89 89 ALA HB1 H 1 1.515 0.01 . 1 . . . . . 89 ALA HB* . 27417 1 766 . 1 1 89 89 ALA HB2 H 1 1.515 0.01 . 1 . . . . . 89 ALA HB* . 27417 1 767 . 1 1 89 89 ALA HB3 H 1 1.515 0.01 . 1 . . . . . 89 ALA HB* . 27417 1 768 . 1 1 89 89 ALA C C 13 178.627 0.00 . 1 . . . . . 89 ALA C . 27417 1 769 . 1 1 89 89 ALA CA C 13 54.201 0.24 . 1 . . . . . 89 ALA CA . 27417 1 770 . 1 1 89 89 ALA CB C 13 17.864 0.08 . 1 . . . . . 89 ALA CB . 27417 1 771 . 1 1 89 89 ALA N N 15 121.457 0.10 . 1 . . . . . 89 ALA N . 27417 1 772 . 1 1 90 90 ARG H H 1 7.281 0.01 . 1 . . . . . 90 ARG H . 27417 1 773 . 1 1 90 90 ARG HA H 1 4.479 0.01 . 1 . . . . . 90 ARG HA . 27417 1 774 . 1 1 90 90 ARG HB2 H 1 2.379 0.01 . 2 . . . . . 90 ARG HB2 . 27417 1 775 . 1 1 90 90 ARG HG2 H 1 1.687 0.01 . 2 . . . . . 90 ARG HG* . 27417 1 776 . 1 1 90 90 ARG HG3 H 1 1.687 0.01 . 2 . . . . . 90 ARG HG* . 27417 1 777 . 1 1 90 90 ARG HD2 H 1 3.204 0.00 . 2 . . . . . 90 ARG HD2 . 27417 1 778 . 1 1 90 90 ARG HD3 H 1 3.083 0.00 . 2 . . . . . 90 ARG HD3 . 27417 1 779 . 1 1 90 90 ARG C C 13 175.305 0.02 . 1 . . . . . 90 ARG C . 27417 1 780 . 1 1 90 90 ARG CA C 13 53.722 0.08 . 1 . . . . . 90 ARG CA . 27417 1 781 . 1 1 90 90 ARG CB C 13 29.577 0.08 . 1 . . . . . 90 ARG CB . 27417 1 782 . 1 1 90 90 ARG CG C 13 26.708 0.00 . 1 . . . . . 90 ARG CG . 27417 1 783 . 1 1 90 90 ARG N N 15 115.064 0.11 . 1 . . . . . 90 ARG N . 27417 1 784 . 1 1 91 91 GLY H H 1 7.607 0.01 . 1 . . . . . 91 GLY H . 27417 1 785 . 1 1 91 91 GLY HA2 H 1 4.016 0.02 . 2 . . . . . 91 GLY HA2 . 27417 1 786 . 1 1 91 91 GLY HA3 H 1 3.445 0.02 . 2 . . . . . 91 GLY HA3 . 27417 1 787 . 1 1 91 91 GLY C C 13 173.446 0.01 . 1 . . . . . 91 GLY C . 27417 1 788 . 1 1 91 91 GLY CA C 13 44.997 0.14 . 1 . . . . . 91 GLY CA . 27417 1 789 . 1 1 91 91 GLY N N 15 105.779 0.10 . 1 . . . . . 91 GLY N . 27417 1 790 . 1 1 92 92 PHE H H 1 7.778 0.01 . 1 . . . . . 92 PHE H . 27417 1 791 . 1 1 92 92 PHE HA H 1 4.290 0.01 . 1 . . . . . 92 PHE HA . 27417 1 792 . 1 1 92 92 PHE HB2 H 1 2.671 0.02 . 2 . . . . . 92 PHE HB* . 27417 1 793 . 1 1 92 92 PHE HB3 H 1 2.671 0.02 . 2 . . . . . 92 PHE HB* . 27417 1 794 . 1 1 92 92 PHE HD1 H 1 7.064 0.01 . 3 . . . . . 92 PHE HD* . 27417 1 795 . 1 1 92 92 PHE HD2 H 1 7.064 0.01 . 3 . . . . . 92 PHE HD* . 27417 1 796 . 1 1 92 92 PHE HE1 H 1 6.327 0.01 . 3 . . . . . 92 PHE HE* . 27417 1 797 . 1 1 92 92 PHE HE2 H 1 6.327 0.01 . 3 . . . . . 92 PHE HE* . 27417 1 798 . 1 1 92 92 PHE HZ H 1 6.625 0.00 . 1 . . . . . 92 PHE HZ . 27417 1 799 . 1 1 92 92 PHE C C 13 174.196 0.01 . 1 . . . . . 92 PHE C . 27417 1 800 . 1 1 92 92 PHE CA C 13 57.289 0.06 . 1 . . . . . 92 PHE CA . 27417 1 801 . 1 1 92 92 PHE CB C 13 37.316 0.08 . 1 . . . . . 92 PHE CB . 27417 1 802 . 1 1 92 92 PHE CD1 C 13 129.429 0.07 . 3 . . . . . 92 PHE CD* . 27417 1 803 . 1 1 92 92 PHE CD2 C 13 129.429 0.07 . 3 . . . . . 92 PHE CD* . 27417 1 804 . 1 1 92 92 PHE CE1 C 13 126.924 0.09 . 3 . . . . . 92 PHE CE* . 27417 1 805 . 1 1 92 92 PHE CE2 C 13 126.924 0.09 . 3 . . . . . 92 PHE CE* . 27417 1 806 . 1 1 92 92 PHE CZ C 13 125.571 0.00 . 1 . . . . . 92 PHE CZ . 27417 1 807 . 1 1 92 92 PHE N N 15 119.693 0.11 . 1 . . . . . 92 PHE N . 27417 1 808 . 1 1 93 93 LEU H H 1 6.600 0.02 . 1 . . . . . 93 LEU H . 27417 1 809 . 1 1 93 93 LEU HA H 1 4.311 0.01 . 1 . . . . . 93 LEU HA . 27417 1 810 . 1 1 93 93 LEU HB2 H 1 1.672 0.01 . 2 . . . . . 93 LEU HB* . 27417 1 811 . 1 1 93 93 LEU HB3 H 1 1.672 0.01 . 2 . . . . . 93 LEU HB* . 27417 1 812 . 1 1 93 93 LEU C C 13 177.843 0.07 . 1 . . . . . 93 LEU C . 27417 1 813 . 1 1 93 93 LEU CA C 13 55.263 0.10 . 1 . . . . . 93 LEU CA . 27417 1 814 . 1 1 93 93 LEU CB C 13 43.055 0.00 . 1 . . . . . 93 LEU CB . 27417 1 815 . 1 1 93 93 LEU N N 15 119.637 0.12 . 1 . . . . . 93 LEU N . 27417 1 816 . 1 1 94 94 GLN H H 1 9.380 0.02 . 1 . . . . . 94 GLN H . 27417 1 817 . 1 1 94 94 GLN HA H 1 4.446 0.01 . 1 . . . . . 94 GLN HA . 27417 1 818 . 1 1 94 94 GLN HB2 H 1 2.790 0.01 . 2 . . . . . 94 GLN HB2 . 27417 1 819 . 1 1 94 94 GLN HB3 H 1 1.978 0.01 . 2 . . . . . 94 GLN HB3 . 27417 1 820 . 1 1 94 94 GLN HG2 H 1 2.283 0.01 . 2 . . . . . 94 GLN HG2 . 27417 1 821 . 1 1 94 94 GLN HG3 H 1 2.034 0.02 . 2 . . . . . 94 GLN HG3 . 27417 1 822 . 1 1 94 94 GLN HE21 H 1 7.106 0.01 . 2 . . . . . 94 GLN HE21 . 27417 1 823 . 1 1 94 94 GLN HE22 H 1 6.654 0.01 . 2 . . . . . 94 GLN HE22 . 27417 1 824 . 1 1 94 94 GLN C C 13 172.637 0.01 . 1 . . . . . 94 GLN C . 27417 1 825 . 1 1 94 94 GLN CA C 13 55.104 0.03 . 1 . . . . . 94 GLN CA . 27417 1 826 . 1 1 94 94 GLN CB C 13 28.151 0.09 . 1 . . . . . 94 GLN CB . 27417 1 827 . 1 1 94 94 GLN CG C 13 33.813 0.07 . 1 . . . . . 94 GLN CG . 27417 1 828 . 1 1 94 94 GLN CD C 13 180.641 0.01 . 1 . . . . . 94 GLN CD . 27417 1 829 . 1 1 94 94 GLN N N 15 122.928 0.10 . 1 . . . . . 94 GLN N . 27417 1 830 . 1 1 94 94 GLN NE2 N 15 109.877 0.17 . 1 . . . . . 94 GLN NE2 . 27417 1 831 . 1 1 95 95 VAL H H 1 8.682 0.01 . 1 . . . . . 95 VAL H . 27417 1 832 . 1 1 95 95 VAL HA H 1 5.087 0.01 . 1 . . . . . 95 VAL HA . 27417 1 833 . 1 1 95 95 VAL HB H 1 1.684 0.01 . 1 . . . . . 95 VAL HB . 27417 1 834 . 1 1 95 95 VAL HG11 H 1 0.772 0.01 . 2 . . . . . 95 VAL HG1* . 27417 1 835 . 1 1 95 95 VAL HG12 H 1 0.772 0.01 . 2 . . . . . 95 VAL HG1* . 27417 1 836 . 1 1 95 95 VAL HG13 H 1 0.772 0.01 . 2 . . . . . 95 VAL HG1* . 27417 1 837 . 1 1 95 95 VAL HG21 H 1 0.667 0.01 . 2 . . . . . 95 VAL HG2* . 27417 1 838 . 1 1 95 95 VAL HG22 H 1 0.667 0.01 . 2 . . . . . 95 VAL HG2* . 27417 1 839 . 1 1 95 95 VAL HG23 H 1 0.667 0.01 . 2 . . . . . 95 VAL HG2* . 27417 1 840 . 1 1 95 95 VAL C C 13 174.698 0.01 . 1 . . . . . 95 VAL C . 27417 1 841 . 1 1 95 95 VAL CA C 13 59.788 0.12 . 1 . . . . . 95 VAL CA . 27417 1 842 . 1 1 95 95 VAL CB C 13 34.902 0.10 . 1 . . . . . 95 VAL CB . 27417 1 843 . 1 1 95 95 VAL CG1 C 13 22.451 0.08 . 2 . . . . . 95 VAL CG1 . 27417 1 844 . 1 1 95 95 VAL CG2 C 13 21.774 0.11 . 2 . . . . . 95 VAL CG2 . 27417 1 845 . 1 1 95 95 VAL N N 15 123.694 0.14 . 1 . . . . . 95 VAL N . 27417 1 846 . 1 1 96 96 GLN H H 1 9.374 0.01 . 1 . . . . . 96 GLN H . 27417 1 847 . 1 1 96 96 GLN HA H 1 5.432 0.01 . 1 . . . . . 96 GLN HA . 27417 1 848 . 1 1 96 96 GLN HB2 H 1 2.279 0.00 . 2 . . . . . 96 GLN HB2 . 27417 1 849 . 1 1 96 96 GLN HB3 H 1 2.027 0.01 . 2 . . . . . 96 GLN HB3 . 27417 1 850 . 1 1 96 96 GLN HG2 H 1 2.648 0.01 . 2 . . . . . 96 GLN HG2 . 27417 1 851 . 1 1 96 96 GLN HG3 H 1 2.310 0.01 . 2 . . . . . 96 GLN HG3 . 27417 1 852 . 1 1 96 96 GLN HE21 H 1 7.970 0.03 . 2 . . . . . 96 GLN HE21 . 27417 1 853 . 1 1 96 96 GLN HE22 H 1 7.138 0.01 . 2 . . . . . 96 GLN HE22 . 27417 1 854 . 1 1 96 96 GLN C C 13 174.606 0.00 . 1 . . . . . 96 GLN C . 27417 1 855 . 1 1 96 96 GLN CA C 13 54.123 0.03 . 1 . . . . . 96 GLN CA . 27417 1 856 . 1 1 96 96 GLN CB C 13 30.658 0.29 . 1 . . . . . 96 GLN CB . 27417 1 857 . 1 1 96 96 GLN CG C 13 35.065 0.11 . 1 . . . . . 96 GLN CG . 27417 1 858 . 1 1 96 96 GLN CD C 13 177.803 0.01 . 1 . . . . . 96 GLN CD . 27417 1 859 . 1 1 96 96 GLN N N 15 126.294 0.11 . 1 . . . . . 96 GLN N . 27417 1 860 . 1 1 96 96 GLN NE2 N 15 111.825 0.28 . 1 . . . . . 96 GLN NE2 . 27417 1 861 . 1 1 97 97 GLY H H 1 8.549 0.01 . 1 . . . . . 97 GLY H . 27417 1 862 . 1 1 97 97 GLY HA2 H 1 5.647 0.01 . 2 . . . . . 97 GLY HA2 . 27417 1 863 . 1 1 97 97 GLY HA3 H 1 3.261 0.01 . 2 . . . . . 97 GLY HA3 . 27417 1 864 . 1 1 97 97 GLY C C 13 173.266 0.00 . 1 . . . . . 97 GLY C . 27417 1 865 . 1 1 97 97 GLY CA C 13 44.679 0.13 . 1 . . . . . 97 GLY CA . 27417 1 866 . 1 1 97 97 GLY N N 15 107.849 0.11 . 1 . . . . . 97 GLY N . 27417 1 867 . 1 1 98 98 VAL H H 1 7.777 0.01 . 1 . . . . . 98 VAL H . 27417 1 868 . 1 1 98 98 VAL HA H 1 5.723 0.01 . 1 . . . . . 98 VAL HA . 27417 1 869 . 1 1 98 98 VAL HB H 1 2.035 0.01 . 1 . . . . . 98 VAL HB . 27417 1 870 . 1 1 98 98 VAL HG11 H 1 0.916 0.02 . 2 . . . . . 98 VAL HG1* . 27417 1 871 . 1 1 98 98 VAL HG12 H 1 0.916 0.02 . 2 . . . . . 98 VAL HG1* . 27417 1 872 . 1 1 98 98 VAL HG13 H 1 0.916 0.02 . 2 . . . . . 98 VAL HG1* . 27417 1 873 . 1 1 98 98 VAL HG21 H 1 0.853 0.00 . 2 . . . . . 98 VAL HG2* . 27417 1 874 . 1 1 98 98 VAL HG22 H 1 0.853 0.00 . 2 . . . . . 98 VAL HG2* . 27417 1 875 . 1 1 98 98 VAL HG23 H 1 0.853 0.00 . 2 . . . . . 98 VAL HG2* . 27417 1 876 . 1 1 98 98 VAL C C 13 174.362 0.05 . 1 . . . . . 98 VAL C . 27417 1 877 . 1 1 98 98 VAL CA C 13 58.213 0.11 . 1 . . . . . 98 VAL CA . 27417 1 878 . 1 1 98 98 VAL CB C 13 35.852 0.12 . 1 . . . . . 98 VAL CB . 27417 1 879 . 1 1 98 98 VAL CG1 C 13 21.566 0.00 . 2 . . . . . 98 VAL CG1 . 27417 1 880 . 1 1 98 98 VAL N N 15 114.952 0.11 . 1 . . . . . 98 VAL N . 27417 1 881 . 1 1 99 99 ASP H H 1 8.602 0.01 . 1 . . . . . 99 ASP H . 27417 1 882 . 1 1 99 99 ASP HA H 1 4.782 0.01 . 1 . . . . . 99 ASP HA . 27417 1 883 . 1 1 99 99 ASP HB2 H 1 3.177 0.01 . 2 . . . . . 99 ASP HB2 . 27417 1 884 . 1 1 99 99 ASP HB3 H 1 2.262 0.01 . 2 . . . . . 99 ASP HB3 . 27417 1 885 . 1 1 99 99 ASP C C 13 173.374 0.02 . 1 . . . . . 99 ASP C . 27417 1 886 . 1 1 99 99 ASP CA C 13 54.863 0.08 . 1 . . . . . 99 ASP CA . 27417 1 887 . 1 1 99 99 ASP CB C 13 47.762 0.15 . 1 . . . . . 99 ASP CB . 27417 1 888 . 1 1 99 99 ASP N N 15 125.732 0.13 . 1 . . . . . 99 ASP N . 27417 1 889 . 1 1 100 100 GLY H H 1 8.201 0.00 . 1 . . . . . 100 GLY H . 27417 1 890 . 1 1 100 100 GLY HA2 H 1 4.124 0.00 . 2 . . . . . 100 GLY HA2 . 27417 1 891 . 1 1 100 100 GLY HA3 H 1 2.763 0.01 . 2 . . . . . 100 GLY HA3 . 27417 1 892 . 1 1 100 100 GLY C C 13 172.405 0.00 . 1 . . . . . 100 GLY C . 27417 1 893 . 1 1 100 100 GLY CA C 13 45.425 0.19 . 1 . . . . . 100 GLY CA . 27417 1 894 . 1 1 100 100 GLY N N 15 112.069 0.15 . 1 . . . . . 100 GLY N . 27417 1 895 . 1 1 101 101 SER H H 1 9.953 0.01 . 1 . . . . . 101 SER H . 27417 1 896 . 1 1 101 101 SER HA H 1 5.115 0.01 . 1 . . . . . 101 SER HA . 27417 1 897 . 1 1 101 101 SER HB2 H 1 3.760 0.01 . 2 . . . . . 101 SER HB2 . 27417 1 898 . 1 1 101 101 SER HB3 H 1 3.711 0.00 . 2 . . . . . 101 SER HB3 . 27417 1 899 . 1 1 101 101 SER CA C 13 52.961 0.13 . 1 . . . . . 101 SER CA . 27417 1 900 . 1 1 101 101 SER CB C 13 62.613 0.12 . 1 . . . . . 101 SER CB . 27417 1 901 . 1 1 101 101 SER N N 15 119.648 0.09 . 1 . . . . . 101 SER N . 27417 1 902 . 1 1 102 102 PRO HA H 1 4.761 0.01 . 1 . . . . . 102 PRO HA . 27417 1 903 . 1 1 102 102 PRO HB3 H 1 0.803 0.03 . 2 . . . . . 102 PRO HB3 . 27417 1 904 . 1 1 102 102 PRO HG2 H 1 2.173 0.02 . 2 . . . . . 102 PRO HG2 . 27417 1 905 . 1 1 102 102 PRO HG3 H 1 2.021 0.01 . 2 . . . . . 102 PRO HG3 . 27417 1 906 . 1 1 102 102 PRO HD2 H 1 3.966 0.01 . 2 . . . . . 102 PRO HD* . 27417 1 907 . 1 1 102 102 PRO HD3 H 1 3.966 0.01 . 2 . . . . . 102 PRO HD* . 27417 1 908 . 1 1 102 102 PRO C C 13 180.254 0.00 . 1 . . . . . 102 PRO C . 27417 1 909 . 1 1 102 102 PRO CA C 13 64.508 0.04 . 1 . . . . . 102 PRO CA . 27417 1 910 . 1 1 102 102 PRO CB C 13 32.436 0.05 . 1 . . . . . 102 PRO CB . 27417 1 911 . 1 1 102 102 PRO CG C 13 27.229 0.28 . 1 . . . . . 102 PRO CG . 27417 1 912 . 1 1 102 102 PRO CD C 13 51.344 0.13 . 1 . . . . . 102 PRO CD . 27417 1 913 . 1 1 103 103 GLU H H 1 7.857 0.01 . 1 . . . . . 103 GLU H . 27417 1 914 . 1 1 103 103 GLU C C 13 180.653 0.05 . 1 . . . . . 103 GLU C . 27417 1 915 . 1 1 103 103 GLU CA C 13 58.096 0.00 . 1 . . . . . 103 GLU CA . 27417 1 916 . 1 1 103 103 GLU N N 15 115.264 0.12 . 1 . . . . . 103 GLU N . 27417 1 917 . 1 1 104 104 MET H H 1 8.241 0.01 . 1 . . . . . 104 MET H . 27417 1 918 . 1 1 104 104 MET HA H 1 3.874 0.01 . 1 . . . . . 104 MET HA . 27417 1 919 . 1 1 104 104 MET C C 13 178.420 0.00 . 1 . . . . . 104 MET C . 27417 1 920 . 1 1 104 104 MET CA C 13 58.174 0.01 . 1 . . . . . 104 MET CA . 27417 1 921 . 1 1 104 104 MET N N 15 122.813 0.12 . 1 . . . . . 104 MET N . 27417 1 922 . 1 1 105 105 LEU H H 1 7.698 0.01 . 1 . . . . . 105 LEU H . 27417 1 923 . 1 1 105 105 LEU HA H 1 3.699 0.01 . 1 . . . . . 105 LEU HA . 27417 1 924 . 1 1 105 105 LEU HB2 H 1 1.716 0.01 . 2 . . . . . 105 LEU HB2 . 27417 1 925 . 1 1 105 105 LEU HB3 H 1 1.275 0.01 . 2 . . . . . 105 LEU HB3 . 27417 1 926 . 1 1 105 105 LEU HG H 1 1.571 0.01 . 1 . . . . . 105 LEU HG . 27417 1 927 . 1 1 105 105 LEU HD11 H 1 0.583 0.01 . 2 . . . . . 105 LEU HD1* . 27417 1 928 . 1 1 105 105 LEU HD12 H 1 0.583 0.01 . 2 . . . . . 105 LEU HD1* . 27417 1 929 . 1 1 105 105 LEU HD13 H 1 0.583 0.01 . 2 . . . . . 105 LEU HD1* . 27417 1 930 . 1 1 105 105 LEU HD21 H 1 0.464 0.01 . 2 . . . . . 105 LEU HD2* . 27417 1 931 . 1 1 105 105 LEU HD22 H 1 0.464 0.01 . 2 . . . . . 105 LEU HD2* . 27417 1 932 . 1 1 105 105 LEU HD23 H 1 0.464 0.01 . 2 . . . . . 105 LEU HD2* . 27417 1 933 . 1 1 105 105 LEU C C 13 179.111 0.03 . 1 . . . . . 105 LEU C . 27417 1 934 . 1 1 105 105 LEU CA C 13 57.434 0.09 . 1 . . . . . 105 LEU CA . 27417 1 935 . 1 1 105 105 LEU CB C 13 41.793 0.13 . 1 . . . . . 105 LEU CB . 27417 1 936 . 1 1 105 105 LEU CG C 13 26.395 0.11 . 1 . . . . . 105 LEU CG . 27417 1 937 . 1 1 105 105 LEU CD1 C 13 25.854 0.08 . 2 . . . . . 105 LEU CD1 . 27417 1 938 . 1 1 105 105 LEU CD2 C 13 24.729 0.00 . 2 . . . . . 105 LEU CD2 . 27417 1 939 . 1 1 105 105 LEU N N 15 116.802 0.12 . 1 . . . . . 105 LEU N . 27417 1 940 . 1 1 106 106 LYS H H 1 7.497 0.02 . 1 . . . . . 106 LYS H . 27417 1 941 . 1 1 106 106 LYS HA H 1 3.834 0.01 . 1 . . . . . 106 LYS HA . 27417 1 942 . 1 1 106 106 LYS HB2 H 1 1.898 0.01 . 2 . . . . . 106 LYS HB* . 27417 1 943 . 1 1 106 106 LYS HB3 H 1 1.898 0.01 . 2 . . . . . 106 LYS HB* . 27417 1 944 . 1 1 106 106 LYS HG2 H 1 1.584 0.01 . 2 . . . . . 106 LYS HG2 . 27417 1 945 . 1 1 106 106 LYS HG3 H 1 1.309 0.01 . 2 . . . . . 106 LYS HG3 . 27417 1 946 . 1 1 106 106 LYS HD2 H 1 1.663 0.01 . 2 . . . . . 106 LYS HD2 . 27417 1 947 . 1 1 106 106 LYS HD3 H 1 1.636 0.00 . 2 . . . . . 106 LYS HD3 . 27417 1 948 . 1 1 106 106 LYS HE2 H 1 2.894 0.01 . 2 . . . . . 106 LYS HE2 . 27417 1 949 . 1 1 106 106 LYS HE3 H 1 2.731 0.01 . 2 . . . . . 106 LYS HE3 . 27417 1 950 . 1 1 106 106 LYS C C 13 180.261 0.04 . 1 . . . . . 106 LYS C . 27417 1 951 . 1 1 106 106 LYS CA C 13 60.066 0.07 . 1 . . . . . 106 LYS CA . 27417 1 952 . 1 1 106 106 LYS CB C 13 32.536 0.14 . 1 . . . . . 106 LYS CB . 27417 1 953 . 1 1 106 106 LYS CG C 13 25.329 0.19 . 1 . . . . . 106 LYS CG . 27417 1 954 . 1 1 106 106 LYS CD C 13 29.528 0.12 . 1 . . . . . 106 LYS CD . 27417 1 955 . 1 1 106 106 LYS CE C 13 41.580 0.12 . 1 . . . . . 106 LYS CE . 27417 1 956 . 1 1 106 106 LYS N N 15 118.381 0.11 . 1 . . . . . 106 LYS N . 27417 1 957 . 1 1 107 107 GLN H H 1 7.313 0.01 . 1 . . . . . 107 GLN H . 27417 1 958 . 1 1 107 107 GLN HA H 1 4.006 0.02 . 1 . . . . . 107 GLN HA . 27417 1 959 . 1 1 107 107 GLN C C 13 178.743 0.03 . 1 . . . . . 107 GLN C . 27417 1 960 . 1 1 107 107 GLN CA C 13 57.439 0.06 . 1 . . . . . 107 GLN CA . 27417 1 961 . 1 1 107 107 GLN CB C 13 26.527 0.00 . 1 . . . . . 107 GLN CB . 27417 1 962 . 1 1 107 107 GLN N N 15 118.387 0.13 . 1 . . . . . 107 GLN N . 27417 1 963 . 1 1 108 108 ALA H H 1 8.115 0.02 . 1 . . . . . 108 ALA H . 27417 1 964 . 1 1 108 108 ALA HA H 1 4.164 0.01 . 1 . . . . . 108 ALA HA . 27417 1 965 . 1 1 108 108 ALA HB1 H 1 1.373 0.01 . 1 . . . . . 108 ALA HB* . 27417 1 966 . 1 1 108 108 ALA HB2 H 1 1.373 0.01 . 1 . . . . . 108 ALA HB* . 27417 1 967 . 1 1 108 108 ALA HB3 H 1 1.373 0.01 . 1 . . . . . 108 ALA HB* . 27417 1 968 . 1 1 108 108 ALA C C 13 181.864 0.02 . 1 . . . . . 108 ALA C . 27417 1 969 . 1 1 108 108 ALA CA C 13 55.406 0.05 . 1 . . . . . 108 ALA CA . 27417 1 970 . 1 1 108 108 ALA CB C 13 16.957 0.17 . 1 . . . . . 108 ALA CB . 27417 1 971 . 1 1 108 108 ALA N N 15 123.949 0.13 . 1 . . . . . 108 ALA N . 27417 1 972 . 1 1 109 109 ARG H H 1 8.840 0.01 . 1 . . . . . 109 ARG H . 27417 1 973 . 1 1 109 109 ARG HA H 1 3.727 0.01 . 1 . . . . . 109 ARG HA . 27417 1 974 . 1 1 109 109 ARG HB2 H 1 1.794 0.01 . 2 . . . . . 109 ARG HB* . 27417 1 975 . 1 1 109 109 ARG HB3 H 1 1.794 0.01 . 2 . . . . . 109 ARG HB* . 27417 1 976 . 1 1 109 109 ARG C C 13 178.517 0.02 . 1 . . . . . 109 ARG C . 27417 1 977 . 1 1 109 109 ARG CA C 13 59.373 0.04 . 1 . . . . . 109 ARG CA . 27417 1 978 . 1 1 109 109 ARG CB C 13 29.895 0.01 . 1 . . . . . 109 ARG CB . 27417 1 979 . 1 1 109 109 ARG N N 15 121.255 0.11 . 1 . . . . . 109 ARG N . 27417 1 980 . 1 1 110 110 ALA H H 1 7.451 0.01 . 1 . . . . . 110 ALA H . 27417 1 981 . 1 1 110 110 ALA HA H 1 4.112 0.00 . 1 . . . . . 110 ALA HA . 27417 1 982 . 1 1 110 110 ALA HB1 H 1 1.508 0.01 . 1 . . . . . 110 ALA HB* . 27417 1 983 . 1 1 110 110 ALA HB2 H 1 1.508 0.01 . 1 . . . . . 110 ALA HB* . 27417 1 984 . 1 1 110 110 ALA HB3 H 1 1.508 0.01 . 1 . . . . . 110 ALA HB* . 27417 1 985 . 1 1 110 110 ALA C C 13 178.673 0.01 . 1 . . . . . 110 ALA C . 27417 1 986 . 1 1 110 110 ALA CA C 13 53.979 0.09 . 1 . . . . . 110 ALA CA . 27417 1 987 . 1 1 110 110 ALA CB C 13 17.938 0.09 . 1 . . . . . 110 ALA CB . 27417 1 988 . 1 1 110 110 ALA N N 15 120.809 0.09 . 1 . . . . . 110 ALA N . 27417 1 989 . 1 1 111 111 ARG H H 1 7.437 0.01 . 1 . . . . . 111 ARG H . 27417 1 990 . 1 1 111 111 ARG HA H 1 4.102 0.01 . 1 . . . . . 111 ARG HA . 27417 1 991 . 1 1 111 111 ARG HB2 H 1 1.878 0.00 . 2 . . . . . 111 ARG HB* . 27417 1 992 . 1 1 111 111 ARG HB3 H 1 1.878 0.00 . 2 . . . . . 111 ARG HB* . 27417 1 993 . 1 1 111 111 ARG C C 13 178.243 0.01 . 1 . . . . . 111 ARG C . 27417 1 994 . 1 1 111 111 ARG CA C 13 57.926 0.02 . 1 . . . . . 111 ARG CA . 27417 1 995 . 1 1 111 111 ARG CB C 13 31.027 0.09 . 1 . . . . . 111 ARG CB . 27417 1 996 . 1 1 111 111 ARG N N 15 114.922 0.08 . 1 . . . . . 111 ARG N . 27417 1 997 . 1 1 112 112 GLY H H 1 7.516 0.01 . 1 . . . . . 112 GLY H . 27417 1 998 . 1 1 112 112 GLY HA2 H 1 3.958 0.01 . 2 . . . . . 112 GLY HA* . 27417 1 999 . 1 1 112 112 GLY HA3 H 1 3.958 0.01 . 2 . . . . . 112 GLY HA* . 27417 1 1000 . 1 1 112 112 GLY C C 13 173.993 0.04 . 1 . . . . . 112 GLY C . 27417 1 1001 . 1 1 112 112 GLY CA C 13 46.798 0.05 . 1 . . . . . 112 GLY CA . 27417 1 1002 . 1 1 112 112 GLY N N 15 104.602 0.15 . 1 . . . . . 112 GLY N . 27417 1 1003 . 1 1 113 113 LEU H H 1 7.351 0.01 . 1 . . . . . 113 LEU H . 27417 1 1004 . 1 1 113 113 LEU HA H 1 4.392 0.01 . 1 . . . . . 113 LEU HA . 27417 1 1005 . 1 1 113 113 LEU HB2 H 1 1.172 0.02 . 2 . . . . . 113 LEU HB2 . 27417 1 1006 . 1 1 113 113 LEU HB3 H 1 1.044 0.01 . 2 . . . . . 113 LEU HB3 . 27417 1 1007 . 1 1 113 113 LEU HG H 1 1.388 0.01 . 1 . . . . . 113 LEU HG . 27417 1 1008 . 1 1 113 113 LEU HD11 H 1 0.673 0.02 . 2 . . . . . 113 LEU HD1* . 27417 1 1009 . 1 1 113 113 LEU HD12 H 1 0.673 0.02 . 2 . . . . . 113 LEU HD1* . 27417 1 1010 . 1 1 113 113 LEU HD13 H 1 0.673 0.02 . 2 . . . . . 113 LEU HD1* . 27417 1 1011 . 1 1 113 113 LEU C C 13 176.700 0.00 . 1 . . . . . 113 LEU C . 27417 1 1012 . 1 1 113 113 LEU CA C 13 54.769 0.05 . 1 . . . . . 113 LEU CA . 27417 1 1013 . 1 1 113 113 LEU CB C 13 45.329 0.07 . 1 . . . . . 113 LEU CB . 27417 1 1014 . 1 1 113 113 LEU CG C 13 26.585 0.00 . 1 . . . . . 113 LEU CG . 27417 1 1015 . 1 1 113 113 LEU CD1 C 13 25.814 0.21 . 2 . . . . . 113 LEU CD* . 27417 1 1016 . 1 1 113 113 LEU CD2 C 13 25.814 0.21 . 2 . . . . . 113 LEU CD* . 27417 1 1017 . 1 1 113 113 LEU N N 15 116.466 0.08 . 1 . . . . . 113 LEU N . 27417 1 1018 . 1 1 114 114 TYR H H 1 8.642 0.01 . 1 . . . . . 114 TYR H . 27417 1 1019 . 1 1 114 114 TYR HA H 1 4.618 0.00 . 1 . . . . . 114 TYR HA . 27417 1 1020 . 1 1 114 114 TYR HB2 H 1 2.773 0.01 . 2 . . . . . 114 TYR HB* . 27417 1 1021 . 1 1 114 114 TYR HB3 H 1 2.773 0.01 . 2 . . . . . 114 TYR HB* . 27417 1 1022 . 1 1 114 114 TYR C C 13 177.069 0.03 . 1 . . . . . 114 TYR C . 27417 1 1023 . 1 1 114 114 TYR CA C 13 58.192 0.10 . 1 . . . . . 114 TYR CA . 27417 1 1024 . 1 1 114 114 TYR CB C 13 39.051 0.12 . 1 . . . . . 114 TYR CB . 27417 1 1025 . 1 1 114 114 TYR N N 15 117.199 0.15 . 1 . . . . . 114 TYR N . 27417 1 1026 . 1 1 115 115 HIS H H 1 9.222 0.01 . 1 . . . . . 115 HIS H . 27417 1 1027 . 1 1 115 115 HIS HA H 1 4.612 0.01 . 1 . . . . . 115 HIS HA . 27417 1 1028 . 1 1 115 115 HIS HB2 H 1 3.352 0.01 . 2 . . . . . 115 HIS HB2 . 27417 1 1029 . 1 1 115 115 HIS HB3 H 1 3.098 0.02 . 2 . . . . . 115 HIS HB3 . 27417 1 1030 . 1 1 115 115 HIS HD2 H 1 7.132 0.01 . 1 . . . . . 115 HIS HD2 . 27417 1 1031 . 1 1 115 115 HIS C C 13 175.149 0.06 . 1 . . . . . 115 HIS C . 27417 1 1032 . 1 1 115 115 HIS CA C 13 57.573 0.15 . 1 . . . . . 115 HIS CA . 27417 1 1033 . 1 1 115 115 HIS CB C 13 30.842 0.13 . 1 . . . . . 115 HIS CB . 27417 1 1034 . 1 1 115 115 HIS N N 15 122.478 0.17 . 1 . . . . . 115 HIS N . 27417 1 1035 . 1 1 116 116 HIS H H 1 7.193 0.01 . 1 . . . . . 116 HIS H . 27417 1 1036 . 1 1 116 116 HIS HA H 1 4.624 0.01 . 1 . . . . . 116 HIS HA . 27417 1 1037 . 1 1 116 116 HIS HB2 H 1 3.130 0.02 . 2 . . . . . 116 HIS HB2 . 27417 1 1038 . 1 1 116 116 HIS HB3 H 1 2.775 0.02 . 2 . . . . . 116 HIS HB3 . 27417 1 1039 . 1 1 116 116 HIS HD2 H 1 7.134 0.00 . 1 . . . . . 116 HIS HD2 . 27417 1 1040 . 1 1 116 116 HIS C C 13 172.738 0.01 . 1 . . . . . 116 HIS C . 27417 1 1041 . 1 1 116 116 HIS CA C 13 56.933 0.10 . 1 . . . . . 116 HIS CA . 27417 1 1042 . 1 1 116 116 HIS CB C 13 32.912 0.22 . 1 . . . . . 116 HIS CB . 27417 1 1043 . 1 1 116 116 HIS N N 15 114.379 0.18 . 1 . . . . . 116 HIS N . 27417 1 1044 . 1 1 117 117 LEU H H 1 7.817 0.02 . 1 . . . . . 117 LEU H . 27417 1 1045 . 1 1 117 117 LEU HA H 1 5.190 0.01 . 1 . . . . . 117 LEU HA . 27417 1 1046 . 1 1 117 117 LEU HB2 H 1 1.412 0.02 . 2 . . . . . 117 LEU HB2 . 27417 1 1047 . 1 1 117 117 LEU HB3 H 1 0.964 0.03 . 2 . . . . . 117 LEU HB3 . 27417 1 1048 . 1 1 117 117 LEU HG H 1 1.227 0.02 . 1 . . . . . 117 LEU HG . 27417 1 1049 . 1 1 117 117 LEU HD11 H 1 0.601 0.01 . 2 . . . . . 117 LEU HD1* . 27417 1 1050 . 1 1 117 117 LEU HD12 H 1 0.601 0.01 . 2 . . . . . 117 LEU HD1* . 27417 1 1051 . 1 1 117 117 LEU HD13 H 1 0.601 0.01 . 2 . . . . . 117 LEU HD1* . 27417 1 1052 . 1 1 117 117 LEU HD21 H 1 0.105 0.01 . 2 . . . . . 117 LEU HD2* . 27417 1 1053 . 1 1 117 117 LEU HD22 H 1 0.105 0.01 . 2 . . . . . 117 LEU HD2* . 27417 1 1054 . 1 1 117 117 LEU HD23 H 1 0.105 0.01 . 2 . . . . . 117 LEU HD2* . 27417 1 1055 . 1 1 117 117 LEU C C 13 175.454 0.00 . 1 . . . . . 117 LEU C . 27417 1 1056 . 1 1 117 117 LEU CA C 13 53.362 0.06 . 1 . . . . . 117 LEU CA . 27417 1 1057 . 1 1 117 117 LEU CB C 13 46.691 0.15 . 1 . . . . . 117 LEU CB . 27417 1 1058 . 1 1 117 117 LEU CG C 13 26.806 0.01 . 1 . . . . . 117 LEU CG . 27417 1 1059 . 1 1 117 117 LEU CD1 C 13 25.778 0.14 . 2 . . . . . 117 LEU CD1 . 27417 1 1060 . 1 1 117 117 LEU CD2 C 13 23.863 0.05 . 2 . . . . . 117 LEU CD2 . 27417 1 1061 . 1 1 117 117 LEU N N 15 127.159 0.15 . 1 . . . . . 117 LEU N . 27417 1 1062 . 1 1 118 118 SER H H 1 7.852 0.01 . 1 . . . . . 118 SER H . 27417 1 1063 . 1 1 118 118 SER HA H 1 4.610 0.01 . 1 . . . . . 118 SER HA . 27417 1 1064 . 1 1 118 118 SER HB2 H 1 3.811 0.01 . 2 . . . . . 118 SER HB2 . 27417 1 1065 . 1 1 118 118 SER HB3 H 1 3.656 0.01 . 2 . . . . . 118 SER HB3 . 27417 1 1066 . 1 1 118 118 SER C C 13 171.020 0.05 . 1 . . . . . 118 SER C . 27417 1 1067 . 1 1 118 118 SER CA C 13 57.231 0.11 . 1 . . . . . 118 SER CA . 27417 1 1068 . 1 1 118 118 SER CB C 13 65.718 0.09 . 1 . . . . . 118 SER CB . 27417 1 1069 . 1 1 118 118 SER N N 15 114.275 0.09 . 1 . . . . . 118 SER N . 27417 1 1070 . 1 1 119 119 LEU H H 1 8.265 0.01 . 1 . . . . . 119 LEU H . 27417 1 1071 . 1 1 119 119 LEU HA H 1 5.176 0.01 . 1 . . . . . 119 LEU HA . 27417 1 1072 . 1 1 119 119 LEU HB2 H 1 1.681 0.02 . 2 . . . . . 119 LEU HB2 . 27417 1 1073 . 1 1 119 119 LEU HB3 H 1 1.298 0.01 . 2 . . . . . 119 LEU HB3 . 27417 1 1074 . 1 1 119 119 LEU HG H 1 1.480 0.01 . 1 . . . . . 119 LEU HG . 27417 1 1075 . 1 1 119 119 LEU HD11 H 1 0.764 0.01 . 2 . . . . . 119 LEU HD1* . 27417 1 1076 . 1 1 119 119 LEU HD12 H 1 0.764 0.01 . 2 . . . . . 119 LEU HD1* . 27417 1 1077 . 1 1 119 119 LEU HD13 H 1 0.764 0.01 . 2 . . . . . 119 LEU HD1* . 27417 1 1078 . 1 1 119 119 LEU C C 13 177.385 0.00 . 1 . . . . . 119 LEU C . 27417 1 1079 . 1 1 119 119 LEU CA C 13 53.454 0.11 . 1 . . . . . 119 LEU CA . 27417 1 1080 . 1 1 119 119 LEU CB C 13 42.713 0.13 . 1 . . . . . 119 LEU CB . 27417 1 1081 . 1 1 119 119 LEU CG C 13 26.833 0.04 . 1 . . . . . 119 LEU CG . 27417 1 1082 . 1 1 119 119 LEU CD1 C 13 24.896 0.09 . 2 . . . . . 119 LEU CD1 . 27417 1 1083 . 1 1 119 119 LEU N N 15 125.423 0.09 . 1 . . . . . 119 LEU N . 27417 1 1084 . 1 1 120 120 CYS H H 1 8.101 0.01 . 1 . . . . . 120 CYS H . 27417 1 1085 . 1 1 120 120 CYS HA H 1 4.369 0.01 . 1 . . . . . 120 CYS HA . 27417 1 1086 . 1 1 120 120 CYS HB2 H 1 2.747 0.01 . 2 . . . . . 120 CYS HB2 . 27417 1 1087 . 1 1 120 120 CYS HB3 H 1 2.229 0.02 . 2 . . . . . 120 CYS HB3 . 27417 1 1088 . 1 1 120 120 CYS C C 13 172.652 0.02 . 1 . . . . . 120 CYS C . 27417 1 1089 . 1 1 120 120 CYS CA C 13 58.948 0.15 . 1 . . . . . 120 CYS CA . 27417 1 1090 . 1 1 120 120 CYS CB C 13 29.180 0.16 . 1 . . . . . 120 CYS CB . 27417 1 1091 . 1 1 120 120 CYS N N 15 128.433 0.14 . 1 . . . . . 120 CYS N . 27417 1 1092 . 1 1 121 121 THR H H 1 9.059 0.01 . 1 . . . . . 121 THR H . 27417 1 1093 . 1 1 121 121 THR HA H 1 4.563 0.01 . 1 . . . . . 121 THR HA . 27417 1 1094 . 1 1 121 121 THR HB H 1 4.021 0.01 . 1 . . . . . 121 THR HB . 27417 1 1095 . 1 1 121 121 THR HG21 H 1 1.021 0.01 . 1 . . . . . 121 THR HG2* . 27417 1 1096 . 1 1 121 121 THR HG22 H 1 1.021 0.01 . 1 . . . . . 121 THR HG2* . 27417 1 1097 . 1 1 121 121 THR HG23 H 1 1.021 0.01 . 1 . . . . . 121 THR HG2* . 27417 1 1098 . 1 1 121 121 THR CA C 13 61.000 0.05 . 1 . . . . . 121 THR CA . 27417 1 1099 . 1 1 121 121 THR CB C 13 67.768 0.17 . 1 . . . . . 121 THR CB . 27417 1 1100 . 1 1 121 121 THR CG2 C 13 23.127 0.02 . 1 . . . . . 121 THR CG2 . 27417 1 1101 . 1 1 121 121 THR N N 15 125.142 0.10 . 1 . . . . . 121 THR N . 27417 1 1102 . 1 1 122 122 LEU H H 1 8.030 0.01 . 1 . . . . . 122 LEU H . 27417 1 1103 . 1 1 122 122 LEU HA H 1 4.412 0.01 . 1 . . . . . 122 LEU HA . 27417 1 1104 . 1 1 122 122 LEU HB2 H 1 1.773 0.01 . 2 . . . . . 122 LEU HB2 . 27417 1 1105 . 1 1 122 122 LEU HB3 H 1 1.407 0.01 . 2 . . . . . 122 LEU HB3 . 27417 1 1106 . 1 1 122 122 LEU HG H 1 1.689 0.00 . 1 . . . . . 122 LEU HG . 27417 1 1107 . 1 1 122 122 LEU HD11 H 1 0.812 0.00 . 2 . . . . . 122 LEU HD1* . 27417 1 1108 . 1 1 122 122 LEU HD12 H 1 0.812 0.00 . 2 . . . . . 122 LEU HD1* . 27417 1 1109 . 1 1 122 122 LEU HD13 H 1 0.812 0.00 . 2 . . . . . 122 LEU HD1* . 27417 1 1110 . 1 1 122 122 LEU HD21 H 1 0.734 0.00 . 2 . . . . . 122 LEU HD2* . 27417 1 1111 . 1 1 122 122 LEU HD22 H 1 0.734 0.00 . 2 . . . . . 122 LEU HD2* . 27417 1 1112 . 1 1 122 122 LEU HD23 H 1 0.734 0.00 . 2 . . . . . 122 LEU HD2* . 27417 1 1113 . 1 1 122 122 LEU C C 13 178.738 0.00 . 1 . . . . . 122 LEU C . 27417 1 1114 . 1 1 122 122 LEU CA C 13 57.050 0.20 . 1 . . . . . 122 LEU CA . 27417 1 1115 . 1 1 122 122 LEU CB C 13 41.453 0.03 . 1 . . . . . 122 LEU CB . 27417 1 1116 . 1 1 122 122 LEU CD1 C 13 24.866 0.00 . 2 . . . . . 122 LEU CD1 . 27417 1 1117 . 1 1 122 122 LEU N N 15 119.478 0.00 . 1 . . . . . 122 LEU N . 27417 1 1118 . 1 1 123 123 GLY H H 1 9.828 0.03 . 1 . . . . . 123 GLY H . 27417 1 1119 . 1 1 123 123 GLY HA2 H 1 4.609 0.01 . 2 . . . . . 123 GLY HA2 . 27417 1 1120 . 1 1 123 123 GLY HA3 H 1 3.499 0.01 . 2 . . . . . 123 GLY HA3 . 27417 1 1121 . 1 1 123 123 GLY C C 13 174.249 0.00 . 1 . . . . . 123 GLY C . 27417 1 1122 . 1 1 123 123 GLY CA C 13 44.789 0.14 . 1 . . . . . 123 GLY CA . 27417 1 1123 . 1 1 123 123 GLY N N 15 111.193 0.09 . 1 . . . . . 123 GLY N . 27417 1 1124 . 1 1 124 124 GLN H H 1 7.614 0.01 . 1 . . . . . 124 GLN H . 27417 1 1125 . 1 1 124 124 GLN HA H 1 4.459 0.01 . 1 . . . . . 124 GLN HA . 27417 1 1126 . 1 1 124 124 GLN HB2 H 1 2.209 0.01 . 2 . . . . . 124 GLN HB2 . 27417 1 1127 . 1 1 124 124 GLN HB3 H 1 1.933 0.01 . 2 . . . . . 124 GLN HB3 . 27417 1 1128 . 1 1 124 124 GLN C C 13 174.626 0.00 . 1 . . . . . 124 GLN C . 27417 1 1129 . 1 1 124 124 GLN CA C 13 55.952 0.13 . 1 . . . . . 124 GLN CA . 27417 1 1130 . 1 1 124 124 GLN CB C 13 30.632 0.18 . 1 . . . . . 124 GLN CB . 27417 1 1131 . 1 1 124 124 GLN N N 15 117.104 0.08 . 1 . . . . . 124 GLN N . 27417 1 1132 . 1 1 125 125 GLU H H 1 8.022 0.01 . 1 . . . . . 125 GLU H . 27417 1 1133 . 1 1 125 125 GLU HA H 1 4.755 0.01 . 1 . . . . . 125 GLU HA . 27417 1 1134 . 1 1 125 125 GLU HB2 H 1 2.086 0.00 . 2 . . . . . 125 GLU HB2 . 27417 1 1135 . 1 1 125 125 GLU HB3 H 1 2.023 0.00 . 2 . . . . . 125 GLU HB3 . 27417 1 1136 . 1 1 125 125 GLU HG2 H 1 2.203 0.01 . 2 . . . . . 125 GLU HG* . 27417 1 1137 . 1 1 125 125 GLU HG3 H 1 2.203 0.01 . 2 . . . . . 125 GLU HG* . 27417 1 1138 . 1 1 125 125 GLU C C 13 172.149 0.00 . 1 . . . . . 125 GLU C . 27417 1 1139 . 1 1 125 125 GLU CA C 13 53.002 0.04 . 1 . . . . . 125 GLU CA . 27417 1 1140 . 1 1 125 125 GLU CB C 13 30.706 0.08 . 1 . . . . . 125 GLU CB . 27417 1 1141 . 1 1 125 125 GLU CG C 13 35.869 0.00 . 1 . . . . . 125 GLU CG . 27417 1 1142 . 1 1 125 125 GLU N N 15 119.410 0.07 . 1 . . . . . 125 GLU N . 27417 1 1143 . 1 1 126 126 PRO HA H 1 4.313 0.01 . 1 . . . . . 126 PRO HA . 27417 1 1144 . 1 1 126 126 PRO HB2 H 1 2.093 0.00 . 2 . . . . . 126 PRO HB* . 27417 1 1145 . 1 1 126 126 PRO HB3 H 1 2.093 0.00 . 2 . . . . . 126 PRO HB* . 27417 1 1146 . 1 1 126 126 PRO C C 13 176.897 0.04 . 1 . . . . . 126 PRO C . 27417 1 1147 . 1 1 126 126 PRO CA C 13 61.665 0.13 . 1 . . . . . 126 PRO CA . 27417 1 1148 . 1 1 126 126 PRO CB C 13 31.790 0.00 . 1 . . . . . 126 PRO CB . 27417 1 1149 . 1 1 127 127 LEU H H 1 9.030 0.01 . 1 . . . . . 127 LEU H . 27417 1 1150 . 1 1 127 127 LEU HA H 1 4.526 0.01 . 1 . . . . . 127 LEU HA . 27417 1 1151 . 1 1 127 127 LEU C C 13 177.533 0.00 . 1 . . . . . 127 LEU C . 27417 1 1152 . 1 1 127 127 LEU CA C 13 53.528 0.04 . 1 . . . . . 127 LEU CA . 27417 1 1153 . 1 1 127 127 LEU N N 15 119.977 0.09 . 1 . . . . . 127 LEU N . 27417 1 1154 . 1 1 128 128 PRO HA H 1 4.301 0.01 . 1 . . . . . 128 PRO HA . 27417 1 1155 . 1 1 128 128 PRO HD2 H 1 3.766 0.01 . 2 . . . . . 128 PRO HD* . 27417 1 1156 . 1 1 128 128 PRO HD3 H 1 3.766 0.01 . 2 . . . . . 128 PRO HD* . 27417 1 1157 . 1 1 128 128 PRO C C 13 176.606 0.03 . 1 . . . . . 128 PRO C . 27417 1 1158 . 1 1 128 128 PRO CA C 13 63.656 0.05 . 1 . . . . . 128 PRO CA . 27417 1 1159 . 1 1 128 128 PRO CB C 13 31.815 0.00 . 1 . . . . . 128 PRO CB . 27417 1 1160 . 1 1 128 128 PRO CD C 13 49.966 0.07 . 1 . . . . . 128 PRO CD . 27417 1 1161 . 1 1 129 129 ASP H H 1 7.102 0.01 . 1 . . . . . 129 ASP H . 27417 1 1162 . 1 1 129 129 ASP HA H 1 4.823 0.01 . 1 . . . . . 129 ASP HA . 27417 1 1163 . 1 1 129 129 ASP HB2 H 1 2.623 0.01 . 2 . . . . . 129 ASP HB2 . 27417 1 1164 . 1 1 129 129 ASP HB3 H 1 2.294 0.01 . 2 . . . . . 129 ASP HB3 . 27417 1 1165 . 1 1 129 129 ASP C C 13 172.439 0.00 . 1 . . . . . 129 ASP C . 27417 1 1166 . 1 1 129 129 ASP CA C 13 53.753 0.17 . 1 . . . . . 129 ASP CA . 27417 1 1167 . 1 1 129 129 ASP CB C 13 42.151 0.15 . 1 . . . . . 129 ASP CB . 27417 1 1168 . 1 1 129 129 ASP N N 15 118.039 0.15 . 1 . . . . . 129 ASP N . 27417 1 1169 . 1 1 130 130 PRO HA H 1 4.412 0.01 . 1 . . . . . 130 PRO HA . 27417 1 1170 . 1 1 130 130 PRO HB2 H 1 2.317 0.01 . 2 . . . . . 130 PRO HB2 . 27417 1 1171 . 1 1 130 130 PRO HB3 H 1 1.689 0.02 . 2 . . . . . 130 PRO HB3 . 27417 1 1172 . 1 1 130 130 PRO HD2 H 1 3.858 0.01 . 2 . . . . . 130 PRO HD2 . 27417 1 1173 . 1 1 130 130 PRO HD3 H 1 3.569 0.02 . 2 . . . . . 130 PRO HD3 . 27417 1 1174 . 1 1 130 130 PRO C C 13 176.424 0.00 . 1 . . . . . 130 PRO C . 27417 1 1175 . 1 1 130 130 PRO CA C 13 61.675 0.09 . 1 . . . . . 130 PRO CA . 27417 1 1176 . 1 1 130 130 PRO CB C 13 32.255 0.14 . 1 . . . . . 130 PRO CB . 27417 1 1177 . 1 1 130 130 PRO CD C 13 50.688 0.09 . 1 . . . . . 130 PRO CD . 27417 1 1178 . 1 1 131 131 GLU H H 1 8.317 0.01 . 1 . . . . . 131 GLU H . 27417 1 1179 . 1 1 131 131 GLU HA H 1 3.968 0.01 . 1 . . . . . 131 GLU HA . 27417 1 1180 . 1 1 131 131 GLU HB2 H 1 1.979 0.02 . 2 . . . . . 131 GLU HB2 . 27417 1 1181 . 1 1 131 131 GLU HB3 H 1 1.816 0.01 . 2 . . . . . 131 GLU HB3 . 27417 1 1182 . 1 1 131 131 GLU HG2 H 1 2.436 0.01 . 2 . . . . . 131 GLU HG2 . 27417 1 1183 . 1 1 131 131 GLU HG3 H 1 2.178 0.01 . 2 . . . . . 131 GLU HG3 . 27417 1 1184 . 1 1 131 131 GLU C C 13 177.714 0.01 . 1 . . . . . 131 GLU C . 27417 1 1185 . 1 1 131 131 GLU CA C 13 55.918 0.06 . 1 . . . . . 131 GLU CA . 27417 1 1186 . 1 1 131 131 GLU CB C 13 29.493 0.02 . 1 . . . . . 131 GLU CB . 27417 1 1187 . 1 1 131 131 GLU CG C 13 35.036 0.06 . 1 . . . . . 131 GLU CG . 27417 1 1188 . 1 1 131 131 GLU N N 15 121.834 0.08 . 1 . . . . . 131 GLU N . 27417 1 1189 . 1 1 132 132 GLY H H 1 8.411 0.01 . 1 . . . . . 132 GLY H . 27417 1 1190 . 1 1 132 132 GLY HA2 H 1 3.756 0.01 . 2 . . . . . 132 GLY HA2 . 27417 1 1191 . 1 1 132 132 GLY HA3 H 1 3.581 0.01 . 2 . . . . . 132 GLY HA3 . 27417 1 1192 . 1 1 132 132 GLY C C 13 173.526 0.00 . 1 . . . . . 132 GLY C . 27417 1 1193 . 1 1 132 132 GLY CA C 13 46.958 0.16 . 1 . . . . . 132 GLY CA . 27417 1 1194 . 1 1 132 132 GLY N N 15 109.005 0.13 . 1 . . . . . 132 GLY N . 27417 1 1195 . 1 1 133 133 THR H H 1 7.183 0.01 . 1 . . . . . 133 THR H . 27417 1 1196 . 1 1 133 133 THR HA H 1 3.415 0.01 . 1 . . . . . 133 THR HA . 27417 1 1197 . 1 1 133 133 THR HB H 1 3.698 0.01 . 1 . . . . . 133 THR HB . 27417 1 1198 . 1 1 133 133 THR HG21 H 1 0.042 0.01 . 1 . . . . . 133 THR HG2* . 27417 1 1199 . 1 1 133 133 THR HG22 H 1 0.042 0.01 . 1 . . . . . 133 THR HG2* . 27417 1 1200 . 1 1 133 133 THR HG23 H 1 0.042 0.01 . 1 . . . . . 133 THR HG2* . 27417 1 1201 . 1 1 133 133 THR C C 13 173.978 0.07 . 1 . . . . . 133 THR C . 27417 1 1202 . 1 1 133 133 THR CA C 13 66.065 0.12 . 1 . . . . . 133 THR CA . 27417 1 1203 . 1 1 133 133 THR CB C 13 70.477 0.19 . 1 . . . . . 133 THR CB . 27417 1 1204 . 1 1 133 133 THR CG2 C 13 20.355 0.02 . 1 . . . . . 133 THR CG2 . 27417 1 1205 . 1 1 133 133 THR N N 15 116.057 0.14 . 1 . . . . . 133 THR N . 27417 1 1206 . 1 1 134 134 PHE H H 1 8.530 0.01 . 1 . . . . . 134 PHE H . 27417 1 1207 . 1 1 134 134 PHE HA H 1 4.454 0.01 . 1 . . . . . 134 PHE HA . 27417 1 1208 . 1 1 134 134 PHE HB2 H 1 3.400 0.00 . 2 . . . . . 134 PHE HB2 . 27417 1 1209 . 1 1 134 134 PHE HB3 H 1 2.425 0.00 . 2 . . . . . 134 PHE HB3 . 27417 1 1210 . 1 1 134 134 PHE HD1 H 1 7.025 0.00 . 3 . . . . . 134 PHE HD* . 27417 1 1211 . 1 1 134 134 PHE HD2 H 1 7.025 0.00 . 3 . . . . . 134 PHE HD* . 27417 1 1212 . 1 1 134 134 PHE C C 13 176.120 0.01 . 1 . . . . . 134 PHE C . 27417 1 1213 . 1 1 134 134 PHE CA C 13 60.047 0.07 . 1 . . . . . 134 PHE CA . 27417 1 1214 . 1 1 134 134 PHE CB C 13 40.889 0.02 . 1 . . . . . 134 PHE CB . 27417 1 1215 . 1 1 134 134 PHE N N 15 116.184 0.14 . 1 . . . . . 134 PHE N . 27417 1 1216 . 1 1 135 135 ASP H H 1 9.415 0.01 . 1 . . . . . 135 ASP H . 27417 1 1217 . 1 1 135 135 ASP HA H 1 4.539 0.00 . 1 . . . . . 135 ASP HA . 27417 1 1218 . 1 1 135 135 ASP HB2 H 1 2.982 0.01 . 2 . . . . . 135 ASP HB2 . 27417 1 1219 . 1 1 135 135 ASP HB3 H 1 2.606 0.01 . 2 . . . . . 135 ASP HB3 . 27417 1 1220 . 1 1 135 135 ASP C C 13 175.812 0.05 . 1 . . . . . 135 ASP C . 27417 1 1221 . 1 1 135 135 ASP CA C 13 58.115 0.06 . 1 . . . . . 135 ASP CA . 27417 1 1222 . 1 1 135 135 ASP CB C 13 42.607 0.11 . 1 . . . . . 135 ASP CB . 27417 1 1223 . 1 1 135 135 ASP N N 15 123.650 0.15 . 1 . . . . . 135 ASP N . 27417 1 1224 . 1 1 136 136 ALA H H 1 7.754 0.01 . 1 . . . . . 136 ALA H . 27417 1 1225 . 1 1 136 136 ALA HA H 1 5.809 0.01 . 1 . . . . . 136 ALA HA . 27417 1 1226 . 1 1 136 136 ALA HB1 H 1 1.238 0.01 . 1 . . . . . 136 ALA HB* . 27417 1 1227 . 1 1 136 136 ALA HB2 H 1 1.238 0.01 . 1 . . . . . 136 ALA HB* . 27417 1 1228 . 1 1 136 136 ALA HB3 H 1 1.238 0.01 . 1 . . . . . 136 ALA HB* . 27417 1 1229 . 1 1 136 136 ALA C C 13 174.206 0.02 . 1 . . . . . 136 ALA C . 27417 1 1230 . 1 1 136 136 ALA CA C 13 50.775 0.13 . 1 . . . . . 136 ALA CA . 27417 1 1231 . 1 1 136 136 ALA CB C 13 22.266 0.12 . 1 . . . . . 136 ALA CB . 27417 1 1232 . 1 1 136 136 ALA N N 15 113.760 0.07 . 1 . . . . . 136 ALA N . 27417 1 1233 . 1 1 137 137 VAL H H 1 8.788 0.01 . 1 . . . . . 137 VAL H . 27417 1 1234 . 1 1 137 137 VAL HA H 1 4.858 0.01 . 1 . . . . . 137 VAL HA . 27417 1 1235 . 1 1 137 137 VAL HB H 1 1.853 0.02 . 1 . . . . . 137 VAL HB . 27417 1 1236 . 1 1 137 137 VAL HG11 H 1 0.955 0.01 . 2 . . . . . 137 VAL HG1* . 27417 1 1237 . 1 1 137 137 VAL HG12 H 1 0.955 0.01 . 2 . . . . . 137 VAL HG1* . 27417 1 1238 . 1 1 137 137 VAL HG13 H 1 0.955 0.01 . 2 . . . . . 137 VAL HG1* . 27417 1 1239 . 1 1 137 137 VAL HG21 H 1 0.788 0.02 . 2 . . . . . 137 VAL HG2* . 27417 1 1240 . 1 1 137 137 VAL HG22 H 1 0.788 0.02 . 2 . . . . . 137 VAL HG2* . 27417 1 1241 . 1 1 137 137 VAL HG23 H 1 0.788 0.02 . 2 . . . . . 137 VAL HG2* . 27417 1 1242 . 1 1 137 137 VAL C C 13 172.852 0.02 . 1 . . . . . 137 VAL C . 27417 1 1243 . 1 1 137 137 VAL CA C 13 60.558 0.05 . 1 . . . . . 137 VAL CA . 27417 1 1244 . 1 1 137 137 VAL CB C 13 35.068 0.05 . 1 . . . . . 137 VAL CB . 27417 1 1245 . 1 1 137 137 VAL CG1 C 13 23.269 0.21 . 2 . . . . . 137 VAL CG1 . 27417 1 1246 . 1 1 137 137 VAL CG2 C 13 22.002 0.06 . 2 . . . . . 137 VAL CG2 . 27417 1 1247 . 1 1 137 137 VAL N N 15 121.441 0.11 . 1 . . . . . 137 VAL N . 27417 1 1248 . 1 1 138 138 ILE H H 1 9.152 0.01 . 1 . . . . . 138 ILE H . 27417 1 1249 . 1 1 138 138 ILE HA H 1 5.664 0.01 . 1 . . . . . 138 ILE HA . 27417 1 1250 . 1 1 138 138 ILE HB H 1 1.250 0.01 . 1 . . . . . 138 ILE HB . 27417 1 1251 . 1 1 138 138 ILE HG12 H 1 1.442 0.01 . 2 . . . . . 138 ILE HG12 . 27417 1 1252 . 1 1 138 138 ILE HG13 H 1 0.920 0.00 . 2 . . . . . 138 ILE HG13 . 27417 1 1253 . 1 1 138 138 ILE HG21 H 1 0.830 0.01 . 1 . . . . . 138 ILE HG2* . 27417 1 1254 . 1 1 138 138 ILE HG22 H 1 0.830 0.01 . 1 . . . . . 138 ILE HG2* . 27417 1 1255 . 1 1 138 138 ILE HG23 H 1 0.830 0.01 . 1 . . . . . 138 ILE HG2* . 27417 1 1256 . 1 1 138 138 ILE HD11 H 1 0.540 0.01 . 1 . . . . . 138 ILE HD1* . 27417 1 1257 . 1 1 138 138 ILE HD12 H 1 0.540 0.01 . 1 . . . . . 138 ILE HD1* . 27417 1 1258 . 1 1 138 138 ILE HD13 H 1 0.540 0.01 . 1 . . . . . 138 ILE HD1* . 27417 1 1259 . 1 1 138 138 ILE C C 13 171.034 0.05 . 1 . . . . . 138 ILE C . 27417 1 1260 . 1 1 138 138 ILE CA C 13 57.668 0.05 . 1 . . . . . 138 ILE CA . 27417 1 1261 . 1 1 138 138 ILE CB C 13 42.666 0.11 . 1 . . . . . 138 ILE CB . 27417 1 1262 . 1 1 138 138 ILE CG1 C 13 29.264 0.02 . 1 . . . . . 138 ILE CG1 . 27417 1 1263 . 1 1 138 138 ILE CG2 C 13 14.773 0.06 . 1 . . . . . 138 ILE CG2 . 27417 1 1264 . 1 1 138 138 ILE CD1 C 13 14.822 0.14 . 1 . . . . . 138 ILE CD1 . 27417 1 1265 . 1 1 138 138 ILE N N 15 126.023 0.07 . 1 . . . . . 138 ILE N . 27417 1 1266 . 1 1 139 139 ILE H H 1 8.279 0.02 . 1 . . . . . 139 ILE H . 27417 1 1267 . 1 1 139 139 ILE HA H 1 5.056 0.02 . 1 . . . . . 139 ILE HA . 27417 1 1268 . 1 1 139 139 ILE HB H 1 1.540 0.01 . 1 . . . . . 139 ILE HB . 27417 1 1269 . 1 1 139 139 ILE HG21 H 1 1.231 0.01 . 1 . . . . . 139 ILE HG2* . 27417 1 1270 . 1 1 139 139 ILE HG22 H 1 1.231 0.01 . 1 . . . . . 139 ILE HG2* . 27417 1 1271 . 1 1 139 139 ILE HG23 H 1 1.231 0.01 . 1 . . . . . 139 ILE HG2* . 27417 1 1272 . 1 1 139 139 ILE C C 13 174.622 0.00 . 1 . . . . . 139 ILE C . 27417 1 1273 . 1 1 139 139 ILE CA C 13 58.255 0.13 . 1 . . . . . 139 ILE CA . 27417 1 1274 . 1 1 139 139 ILE CB C 13 41.022 0.01 . 1 . . . . . 139 ILE CB . 27417 1 1275 . 1 1 139 139 ILE CG2 C 13 15.969 0.07 . 1 . . . . . 139 ILE CG2 . 27417 1 1276 . 1 1 139 139 ILE N N 15 122.187 0.09 . 1 . . . . . 139 ILE N . 27417 1 1277 . 1 1 140 140 VAL H H 1 9.724 0.01 . 1 . . . . . 140 VAL H . 27417 1 1278 . 1 1 140 140 VAL HA H 1 4.642 0.01 . 1 . . . . . 140 VAL HA . 27417 1 1279 . 1 1 140 140 VAL HB H 1 1.902 0.01 . 1 . . . . . 140 VAL HB . 27417 1 1280 . 1 1 140 140 VAL HG11 H 1 0.703 0.01 . 2 . . . . . 140 VAL HG1* . 27417 1 1281 . 1 1 140 140 VAL HG12 H 1 0.703 0.01 . 2 . . . . . 140 VAL HG1* . 27417 1 1282 . 1 1 140 140 VAL HG13 H 1 0.703 0.01 . 2 . . . . . 140 VAL HG1* . 27417 1 1283 . 1 1 140 140 VAL C C 13 175.710 0.00 . 1 . . . . . 140 VAL C . 27417 1 1284 . 1 1 140 140 VAL CA C 13 60.685 0.09 . 1 . . . . . 140 VAL CA . 27417 1 1285 . 1 1 140 140 VAL CB C 13 33.283 0.14 . 1 . . . . . 140 VAL CB . 27417 1 1286 . 1 1 140 140 VAL CG1 C 13 22.353 0.14 . 2 . . . . . 140 VAL CG1 . 27417 1 1287 . 1 1 140 140 VAL N N 15 131.881 0.21 . 1 . . . . . 140 VAL N . 27417 1 1288 . 1 1 141 141 GLY H H 1 7.465 0.03 . 1 . . . . . 141 GLY H . 27417 1 1289 . 1 1 141 141 GLY HA2 H 1 4.528 0.02 . 2 . . . . . 141 GLY HA2 . 27417 1 1290 . 1 1 141 141 GLY HA3 H 1 4.042 0.01 . 2 . . . . . 141 GLY HA3 . 27417 1 1291 . 1 1 141 141 GLY C C 13 175.560 0.00 . 1 . . . . . 141 GLY C . 27417 1 1292 . 1 1 141 141 GLY CA C 13 46.760 0.11 . 1 . . . . . 141 GLY CA . 27417 1 1293 . 1 1 141 141 GLY N N 15 114.097 0.10 . 1 . . . . . 141 GLY N . 27417 1 1294 . 1 1 142 142 ALA HA H 1 4.516 0.01 . 1 . . . . . 142 ALA HA . 27417 1 1295 . 1 1 142 142 ALA HB1 H 1 1.036 0.03 . 1 . . . . . 142 ALA HB* . 27417 1 1296 . 1 1 142 142 ALA HB2 H 1 1.036 0.03 . 1 . . . . . 142 ALA HB* . 27417 1 1297 . 1 1 142 142 ALA HB3 H 1 1.036 0.03 . 1 . . . . . 142 ALA HB* . 27417 1 1298 . 1 1 142 142 ALA C C 13 175.036 0.00 . 1 . . . . . 142 ALA C . 27417 1 1299 . 1 1 142 142 ALA CA C 13 51.650 0.07 . 1 . . . . . 142 ALA CA . 27417 1 1300 . 1 1 142 142 ALA CB C 13 23.676 0.14 . 1 . . . . . 142 ALA CB . 27417 1 1301 . 1 1 143 143 LEU H H 1 7.636 0.01 . 1 . . . . . 143 LEU H . 27417 1 1302 . 1 1 143 143 LEU HA H 1 4.836 0.01 . 1 . . . . . 143 LEU HA . 27417 1 1303 . 1 1 143 143 LEU HB2 H 1 2.432 0.02 . 2 . . . . . 143 LEU HB2 . 27417 1 1304 . 1 1 143 143 LEU HB3 H 1 1.905 0.04 . 2 . . . . . 143 LEU HB3 . 27417 1 1305 . 1 1 143 143 LEU HG H 1 1.169 0.01 . 1 . . . . . 143 LEU HG . 27417 1 1306 . 1 1 143 143 LEU HD11 H 1 1.739 0.01 . 2 . . . . . 143 LEU HD1* . 27417 1 1307 . 1 1 143 143 LEU HD12 H 1 1.739 0.01 . 2 . . . . . 143 LEU HD1* . 27417 1 1308 . 1 1 143 143 LEU HD13 H 1 1.739 0.01 . 2 . . . . . 143 LEU HD1* . 27417 1 1309 . 1 1 143 143 LEU HD21 H 1 0.836 0.01 . 2 . . . . . 143 LEU HD2* . 27417 1 1310 . 1 1 143 143 LEU HD22 H 1 0.836 0.01 . 2 . . . . . 143 LEU HD2* . 27417 1 1311 . 1 1 143 143 LEU HD23 H 1 0.836 0.01 . 2 . . . . . 143 LEU HD2* . 27417 1 1312 . 1 1 143 143 LEU C C 13 175.065 0.07 . 1 . . . . . 143 LEU C . 27417 1 1313 . 1 1 143 143 LEU CA C 13 54.268 0.11 . 1 . . . . . 143 LEU CA . 27417 1 1314 . 1 1 143 143 LEU CB C 13 38.757 0.10 . 1 . . . . . 143 LEU CB . 27417 1 1315 . 1 1 143 143 LEU CG C 13 28.028 0.10 . 1 . . . . . 143 LEU CG . 27417 1 1316 . 1 1 143 143 LEU CD1 C 13 26.228 0.05 . 2 . . . . . 143 LEU CD1 . 27417 1 1317 . 1 1 143 143 LEU CD2 C 13 23.163 0.00 . 2 . . . . . 143 LEU CD2 . 27417 1 1318 . 1 1 143 143 LEU N N 15 120.106 0.16 . 1 . . . . . 143 LEU N . 27417 1 1319 . 1 1 144 144 SER H H 1 7.347 0.01 . 1 . . . . . 144 SER H . 27417 1 1320 . 1 1 144 144 SER HA H 1 2.909 0.04 . 1 . . . . . 144 SER HA . 27417 1 1321 . 1 1 144 144 SER HB2 H 1 3.707 0.01 . 2 . . . . . 144 SER HB2 . 27417 1 1322 . 1 1 144 144 SER HB3 H 1 3.582 0.02 . 2 . . . . . 144 SER HB3 . 27417 1 1323 . 1 1 144 144 SER C C 13 172.849 0.01 . 1 . . . . . 144 SER C . 27417 1 1324 . 1 1 144 144 SER CA C 13 57.345 0.13 . 1 . . . . . 144 SER CA . 27417 1 1325 . 1 1 144 144 SER CB C 13 62.858 0.08 . 1 . . . . . 144 SER CB . 27417 1 1326 . 1 1 144 144 SER N N 15 121.230 0.16 . 1 . . . . . 144 SER N . 27417 1 1327 . 1 1 145 145 GLU H H 1 8.168 0.01 . 1 . . . . . 145 GLU H . 27417 1 1328 . 1 1 145 145 GLU C C 13 177.531 0.00 . 1 . . . . . 145 GLU C . 27417 1 1329 . 1 1 145 145 GLU CA C 13 58.419 0.13 . 1 . . . . . 145 GLU CA . 27417 1 1330 . 1 1 145 145 GLU N N 15 121.041 0.16 . 1 . . . . . 145 GLU N . 27417 1 1331 . 1 1 147 147 GLN C C 13 176.319 0.00 . 1 . . . . . 147 GLN C . 27417 1 1332 . 1 1 147 147 GLN CA C 13 55.564 0.01 . 1 . . . . . 147 GLN CA . 27417 1 1333 . 1 1 148 148 VAL H H 1 8.292 0.01 . 1 . . . . . 148 VAL H . 27417 1 1334 . 1 1 148 148 VAL HA H 1 4.362 0.01 . 1 . . . . . 148 VAL HA . 27417 1 1335 . 1 1 148 148 VAL HB H 1 1.960 0.01 . 1 . . . . . 148 VAL HB . 27417 1 1336 . 1 1 148 148 VAL HG11 H 1 0.089 0.01 . 2 . . . . . 148 VAL HG1* . 27417 1 1337 . 1 1 148 148 VAL HG12 H 1 0.089 0.01 . 2 . . . . . 148 VAL HG1* . 27417 1 1338 . 1 1 148 148 VAL HG13 H 1 0.089 0.01 . 2 . . . . . 148 VAL HG1* . 27417 1 1339 . 1 1 148 148 VAL HG21 H 1 0.642 0.01 . 2 . . . . . 148 VAL HG2* . 27417 1 1340 . 1 1 148 148 VAL HG22 H 1 0.642 0.01 . 2 . . . . . 148 VAL HG2* . 27417 1 1341 . 1 1 148 148 VAL HG23 H 1 0.642 0.01 . 2 . . . . . 148 VAL HG2* . 27417 1 1342 . 1 1 148 148 VAL C C 13 173.086 0.00 . 1 . . . . . 148 VAL C . 27417 1 1343 . 1 1 148 148 VAL CA C 13 60.502 0.15 . 1 . . . . . 148 VAL CA . 27417 1 1344 . 1 1 148 148 VAL CB C 13 31.303 0.18 . 1 . . . . . 148 VAL CB . 27417 1 1345 . 1 1 148 148 VAL CG1 C 13 21.641 0.08 . 2 . . . . . 148 VAL CG1 . 27417 1 1346 . 1 1 148 148 VAL CG2 C 13 20.861 0.04 . 2 . . . . . 148 VAL CG2 . 27417 1 1347 . 1 1 148 148 VAL N N 15 127.585 0.16 . 1 . . . . . 148 VAL N . 27417 1 1348 . 1 1 149 149 PRO HA H 1 5.008 0.02 . 1 . . . . . 149 PRO HA . 27417 1 1349 . 1 1 149 149 PRO HB2 H 1 2.449 0.02 . 2 . . . . . 149 PRO HB2 . 27417 1 1350 . 1 1 149 149 PRO HB3 H 1 2.341 0.01 . 2 . . . . . 149 PRO HB3 . 27417 1 1351 . 1 1 149 149 PRO HD2 H 1 4.218 0.01 . 2 . . . . . 149 PRO HD2 . 27417 1 1352 . 1 1 149 149 PRO HD3 H 1 3.434 0.01 . 2 . . . . . 149 PRO HD3 . 27417 1 1353 . 1 1 149 149 PRO C C 13 177.379 0.00 . 1 . . . . . 149 PRO C . 27417 1 1354 . 1 1 149 149 PRO CA C 13 62.140 0.18 . 1 . . . . . 149 PRO CA . 27417 1 1355 . 1 1 149 149 PRO CB C 13 32.575 0.13 . 1 . . . . . 149 PRO CB . 27417 1 1356 . 1 1 149 149 PRO CD C 13 50.219 0.06 . 1 . . . . . 149 PRO CD . 27417 1 1357 . 1 1 150 150 CYS H H 1 8.846 0.01 . 1 . . . . . 150 CYS H . 27417 1 1358 . 1 1 150 150 CYS HA H 1 3.891 0.01 . 1 . . . . . 150 CYS HA . 27417 1 1359 . 1 1 150 150 CYS HB2 H 1 2.714 0.01 . 2 . . . . . 150 CYS HB* . 27417 1 1360 . 1 1 150 150 CYS HB3 H 1 2.714 0.01 . 2 . . . . . 150 CYS HB* . 27417 1 1361 . 1 1 150 150 CYS C C 13 176.350 0.03 . 1 . . . . . 150 CYS C . 27417 1 1362 . 1 1 150 150 CYS CA C 13 62.455 0.12 . 1 . . . . . 150 CYS CA . 27417 1 1363 . 1 1 150 150 CYS CB C 13 26.190 0.10 . 1 . . . . . 150 CYS CB . 27417 1 1364 . 1 1 150 150 CYS N N 15 118.580 0.08 . 1 . . . . . 150 CYS N . 27417 1 1365 . 1 1 151 151 SER H H 1 7.958 0.02 . 1 . . . . . 151 SER H . 27417 1 1366 . 1 1 151 151 SER C C 13 175.043 0.00 . 1 . . . . . 151 SER C . 27417 1 1367 . 1 1 151 151 SER CA C 13 59.421 0.08 . 1 . . . . . 151 SER CA . 27417 1 1368 . 1 1 151 151 SER CB C 13 62.231 0.00 . 1 . . . . . 151 SER CB . 27417 1 1369 . 1 1 151 151 SER N N 15 111.543 0.18 . 1 . . . . . 151 SER N . 27417 1 1370 . 1 1 152 152 ALA H H 1 7.770 0.01 . 1 . . . . . 152 ALA H . 27417 1 1371 . 1 1 152 152 ALA HA H 1 4.477 0.00 . 1 . . . . . 152 ALA HA . 27417 1 1372 . 1 1 152 152 ALA HB1 H 1 1.312 0.01 . 1 . . . . . 152 ALA HB* . 27417 1 1373 . 1 1 152 152 ALA HB2 H 1 1.312 0.01 . 1 . . . . . 152 ALA HB* . 27417 1 1374 . 1 1 152 152 ALA HB3 H 1 1.312 0.01 . 1 . . . . . 152 ALA HB* . 27417 1 1375 . 1 1 152 152 ALA C C 13 177.964 0.00 . 1 . . . . . 152 ALA C . 27417 1 1376 . 1 1 152 152 ALA CA C 13 52.152 0.07 . 1 . . . . . 152 ALA CA . 27417 1 1377 . 1 1 152 152 ALA CB C 13 19.457 0.12 . 1 . . . . . 152 ALA CB . 27417 1 1378 . 1 1 152 152 ALA N N 15 122.686 0.09 . 1 . . . . . 152 ALA N . 27417 1 1379 . 1 1 153 153 ILE H H 1 7.610 0.01 . 1 . . . . . 153 ILE H . 27417 1 1380 . 1 1 153 153 ILE HA H 1 3.707 0.01 . 1 . . . . . 153 ILE HA . 27417 1 1381 . 1 1 153 153 ILE HB H 1 2.075 0.01 . 1 . . . . . 153 ILE HB . 27417 1 1382 . 1 1 153 153 ILE HG12 H 1 1.658 0.01 . 2 . . . . . 153 ILE HG12 . 27417 1 1383 . 1 1 153 153 ILE HG13 H 1 1.320 0.02 . 2 . . . . . 153 ILE HG13 . 27417 1 1384 . 1 1 153 153 ILE HG21 H 1 0.571 0.01 . 1 . . . . . 153 ILE HG2* . 27417 1 1385 . 1 1 153 153 ILE HG22 H 1 0.571 0.01 . 1 . . . . . 153 ILE HG2* . 27417 1 1386 . 1 1 153 153 ILE HG23 H 1 0.571 0.01 . 1 . . . . . 153 ILE HG2* . 27417 1 1387 . 1 1 153 153 ILE HD11 H 1 0.720 0.01 . 1 . . . . . 153 ILE HD1* . 27417 1 1388 . 1 1 153 153 ILE HD12 H 1 0.720 0.01 . 1 . . . . . 153 ILE HD1* . 27417 1 1389 . 1 1 153 153 ILE HD13 H 1 0.720 0.01 . 1 . . . . . 153 ILE HD1* . 27417 1 1390 . 1 1 153 153 ILE CA C 13 64.940 0.06 . 1 . . . . . 153 ILE CA . 27417 1 1391 . 1 1 153 153 ILE CB C 13 33.024 0.21 . 1 . . . . . 153 ILE CB . 27417 1 1392 . 1 1 153 153 ILE CG1 C 13 28.859 0.09 . 1 . . . . . 153 ILE CG1 . 27417 1 1393 . 1 1 153 153 ILE CG2 C 13 18.475 0.16 . 1 . . . . . 153 ILE CG2 . 27417 1 1394 . 1 1 153 153 ILE CD1 C 13 10.294 0.08 . 1 . . . . . 153 ILE CD1 . 27417 1 1395 . 1 1 153 153 ILE N N 15 119.238 0.10 . 1 . . . . . 153 ILE N . 27417 1 1396 . 1 1 154 154 PRO HG2 H 1 2.066 0.02 . 2 . . . . . 154 PRO HG2 . 27417 1 1397 . 1 1 154 154 PRO HG3 H 1 1.590 0.00 . 2 . . . . . 154 PRO HG3 . 27417 1 1398 . 1 1 154 154 PRO HD2 H 1 3.614 0.02 . 2 . . . . . 154 PRO HD2 . 27417 1 1399 . 1 1 154 154 PRO HD3 H 1 3.257 0.01 . 2 . . . . . 154 PRO HD3 . 27417 1 1400 . 1 1 154 154 PRO C C 13 178.276 0.00 . 1 . . . . . 154 PRO C . 27417 1 1401 . 1 1 154 154 PRO CA C 13 66.147 0.04 . 1 . . . . . 154 PRO CA . 27417 1 1402 . 1 1 154 154 PRO CB C 13 30.456 0.00 . 1 . . . . . 154 PRO CB . 27417 1 1403 . 1 1 154 154 PRO CD C 13 49.611 0.15 . 1 . . . . . 154 PRO CD . 27417 1 1404 . 1 1 155 155 GLU H H 1 7.379 0.01 . 1 . . . . . 155 GLU H . 27417 1 1405 . 1 1 155 155 GLU HA H 1 4.152 0.00 . 1 . . . . . 155 GLU HA . 27417 1 1406 . 1 1 155 155 GLU C C 13 177.402 0.00 . 1 . . . . . 155 GLU C . 27417 1 1407 . 1 1 155 155 GLU CA C 13 58.600 0.05 . 1 . . . . . 155 GLU CA . 27417 1 1408 . 1 1 155 155 GLU CB C 13 30.306 0.01 . 1 . . . . . 155 GLU CB . 27417 1 1409 . 1 1 155 155 GLU N N 15 118.799 0.17 . 1 . . . . . 155 GLU N . 27417 1 1410 . 1 1 156 156 LEU H H 1 7.308 0.01 . 1 . . . . . 156 LEU H . 27417 1 1411 . 1 1 156 156 LEU HA H 1 3.721 0.01 . 1 . . . . . 156 LEU HA . 27417 1 1412 . 1 1 156 156 LEU HB2 H 1 1.933 0.01 . 2 . . . . . 156 LEU HB2 . 27417 1 1413 . 1 1 156 156 LEU HB3 H 1 1.382 0.01 . 2 . . . . . 156 LEU HB3 . 27417 1 1414 . 1 1 156 156 LEU HD11 H 1 0.795 0.01 . 2 . . . . . 156 LEU HD1* . 27417 1 1415 . 1 1 156 156 LEU HD12 H 1 0.795 0.01 . 2 . . . . . 156 LEU HD1* . 27417 1 1416 . 1 1 156 156 LEU HD13 H 1 0.795 0.01 . 2 . . . . . 156 LEU HD1* . 27417 1 1417 . 1 1 156 156 LEU HD21 H 1 0.680 0.00 . 2 . . . . . 156 LEU HD2* . 27417 1 1418 . 1 1 156 156 LEU HD22 H 1 0.680 0.00 . 2 . . . . . 156 LEU HD2* . 27417 1 1419 . 1 1 156 156 LEU HD23 H 1 0.680 0.00 . 2 . . . . . 156 LEU HD2* . 27417 1 1420 . 1 1 156 156 LEU C C 13 178.066 0.00 . 1 . . . . . 156 LEU C . 27417 1 1421 . 1 1 156 156 LEU CA C 13 58.628 0.06 . 1 . . . . . 156 LEU CA . 27417 1 1422 . 1 1 156 156 LEU CB C 13 40.326 0.19 . 1 . . . . . 156 LEU CB . 27417 1 1423 . 1 1 156 156 LEU N N 15 117.903 0.14 . 1 . . . . . 156 LEU N . 27417 1 1424 . 1 1 157 157 LEU H H 1 7.121 0.01 . 1 . . . . . 157 LEU H . 27417 1 1425 . 1 1 157 157 LEU HA H 1 3.815 0.01 . 1 . . . . . 157 LEU HA . 27417 1 1426 . 1 1 157 157 LEU HB2 H 1 1.559 0.01 . 2 . . . . . 157 LEU HB2 . 27417 1 1427 . 1 1 157 157 LEU HB3 H 1 1.012 0.02 . 2 . . . . . 157 LEU HB3 . 27417 1 1428 . 1 1 157 157 LEU HG H 1 1.252 0.01 . 1 . . . . . 157 LEU HG . 27417 1 1429 . 1 1 157 157 LEU HD11 H 1 0.499 0.01 . 2 . . . . . 157 LEU HD1* . 27417 1 1430 . 1 1 157 157 LEU HD12 H 1 0.499 0.01 . 2 . . . . . 157 LEU HD1* . 27417 1 1431 . 1 1 157 157 LEU HD13 H 1 0.499 0.01 . 2 . . . . . 157 LEU HD1* . 27417 1 1432 . 1 1 157 157 LEU HD21 H 1 0.419 0.00 . 2 . . . . . 157 LEU HD2* . 27417 1 1433 . 1 1 157 157 LEU HD22 H 1 0.419 0.00 . 2 . . . . . 157 LEU HD2* . 27417 1 1434 . 1 1 157 157 LEU HD23 H 1 0.419 0.00 . 2 . . . . . 157 LEU HD2* . 27417 1 1435 . 1 1 157 157 LEU C C 13 179.384 0.00 . 1 . . . . . 157 LEU C . 27417 1 1436 . 1 1 157 157 LEU CA C 13 57.379 0.07 . 1 . . . . . 157 LEU CA . 27417 1 1437 . 1 1 157 157 LEU CB C 13 42.151 0.09 . 1 . . . . . 157 LEU CB . 27417 1 1438 . 1 1 157 157 LEU CG C 13 27.401 0.13 . 1 . . . . . 157 LEU CG . 27417 1 1439 . 1 1 157 157 LEU CD1 C 13 24.001 0.05 . 2 . . . . . 157 LEU CD1 . 27417 1 1440 . 1 1 157 157 LEU CD2 C 13 25.307 0.02 . 2 . . . . . 157 LEU CD2 . 27417 1 1441 . 1 1 157 157 LEU N N 15 115.912 0.09 . 1 . . . . . 157 LEU N . 27417 1 1442 . 1 1 158 158 ARG H H 1 8.181 0.01 . 1 . . . . . 158 ARG H . 27417 1 1443 . 1 1 158 158 ARG HA H 1 4.007 0.01 . 1 . . . . . 158 ARG HA . 27417 1 1444 . 1 1 158 158 ARG C C 13 178.407 0.00 . 1 . . . . . 158 ARG C . 27417 1 1445 . 1 1 158 158 ARG CA C 13 60.202 0.02 . 1 . . . . . 158 ARG CA . 27417 1 1446 . 1 1 158 158 ARG CB C 13 30.200 0.00 . 1 . . . . . 158 ARG CB . 27417 1 1447 . 1 1 158 158 ARG N N 15 122.359 0.12 . 1 . . . . . 158 ARG N . 27417 1 1448 . 1 1 159 159 VAL H H 1 7.059 0.01 . 1 . . . . . 159 VAL H . 27417 1 1449 . 1 1 159 159 VAL HA H 1 4.392 0.01 . 1 . . . . . 159 VAL HA . 27417 1 1450 . 1 1 159 159 VAL HB H 1 2.736 0.01 . 1 . . . . . 159 VAL HB . 27417 1 1451 . 1 1 159 159 VAL HG11 H 1 1.074 0.01 . 2 . . . . . 159 VAL HG1* . 27417 1 1452 . 1 1 159 159 VAL HG12 H 1 1.074 0.01 . 2 . . . . . 159 VAL HG1* . 27417 1 1453 . 1 1 159 159 VAL HG13 H 1 1.074 0.01 . 2 . . . . . 159 VAL HG1* . 27417 1 1454 . 1 1 159 159 VAL HG21 H 1 0.980 0.01 . 2 . . . . . 159 VAL HG2* . 27417 1 1455 . 1 1 159 159 VAL HG22 H 1 0.980 0.01 . 2 . . . . . 159 VAL HG2* . 27417 1 1456 . 1 1 159 159 VAL HG23 H 1 0.980 0.01 . 2 . . . . . 159 VAL HG2* . 27417 1 1457 . 1 1 159 159 VAL C C 13 175.419 0.01 . 1 . . . . . 159 VAL C . 27417 1 1458 . 1 1 159 159 VAL CA C 13 63.107 0.08 . 1 . . . . . 159 VAL CA . 27417 1 1459 . 1 1 159 159 VAL CB C 13 31.536 0.10 . 1 . . . . . 159 VAL CB . 27417 1 1460 . 1 1 159 159 VAL CG1 C 13 18.826 0.15 . 2 . . . . . 159 VAL CG1 . 27417 1 1461 . 1 1 159 159 VAL CG2 C 13 21.631 0.10 . 2 . . . . . 159 VAL CG2 . 27417 1 1462 . 1 1 159 159 VAL N N 15 104.622 0.11 . 1 . . . . . 159 VAL N . 27417 1 1463 . 1 1 160 160 THR H H 1 7.583 0.01 . 1 . . . . . 160 THR H . 27417 1 1464 . 1 1 160 160 THR HA H 1 4.328 0.01 . 1 . . . . . 160 THR HA . 27417 1 1465 . 1 1 160 160 THR HB H 1 4.134 0.01 . 1 . . . . . 160 THR HB . 27417 1 1466 . 1 1 160 160 THR HG21 H 1 1.348 0.00 . 1 . . . . . 160 THR HG2* . 27417 1 1467 . 1 1 160 160 THR HG22 H 1 1.348 0.00 . 1 . . . . . 160 THR HG2* . 27417 1 1468 . 1 1 160 160 THR HG23 H 1 1.348 0.00 . 1 . . . . . 160 THR HG2* . 27417 1 1469 . 1 1 160 160 THR C C 13 174.401 0.00 . 1 . . . . . 160 THR C . 27417 1 1470 . 1 1 160 160 THR CA C 13 64.863 0.12 . 1 . . . . . 160 THR CA . 27417 1 1471 . 1 1 160 160 THR CB C 13 68.196 0.05 . 1 . . . . . 160 THR CB . 27417 1 1472 . 1 1 160 160 THR CG2 C 13 20.703 0.01 . 1 . . . . . 160 THR CG2 . 27417 1 1473 . 1 1 160 160 THR N N 15 123.866 0.11 . 1 . . . . . 160 THR N . 27417 1 1474 . 1 1 161 161 LYS H H 1 9.333 0.01 . 1 . . . . . 161 LYS H . 27417 1 1475 . 1 1 161 161 LYS HA H 1 3.998 0.00 . 1 . . . . . 161 LYS HA . 27417 1 1476 . 1 1 161 161 LYS HB2 H 1 1.696 0.00 . 2 . . . . . 161 LYS HB2 . 27417 1 1477 . 1 1 161 161 LYS HB3 H 1 1.353 0.00 . 2 . . . . . 161 LYS HB3 . 27417 1 1478 . 1 1 161 161 LYS C C 13 174.700 0.00 . 1 . . . . . 161 LYS C . 27417 1 1479 . 1 1 161 161 LYS CA C 13 56.429 0.03 . 1 . . . . . 161 LYS CA . 27417 1 1480 . 1 1 161 161 LYS CB C 13 32.775 0.06 . 1 . . . . . 161 LYS CB . 27417 1 1481 . 1 1 161 161 LYS N N 15 128.317 0.10 . 1 . . . . . 161 LYS N . 27417 1 1482 . 1 1 162 162 PRO HA H 1 4.027 0.00 . 1 . . . . . 162 PRO HA . 27417 1 1483 . 1 1 162 162 PRO HB2 H 1 2.043 0.00 . 2 . . . . . 162 PRO HB* . 27417 1 1484 . 1 1 162 162 PRO HB3 H 1 2.043 0.00 . 2 . . . . . 162 PRO HB* . 27417 1 1485 . 1 1 162 162 PRO C C 13 177.702 0.02 . 1 . . . . . 162 PRO C . 27417 1 1486 . 1 1 162 162 PRO CA C 13 64.884 0.04 . 1 . . . . . 162 PRO CA . 27417 1 1487 . 1 1 162 162 PRO CB C 13 31.752 0.15 . 1 . . . . . 162 PRO CB . 27417 1 1488 . 1 1 163 163 GLY H H 1 7.627 0.01 . 1 . . . . . 163 GLY H . 27417 1 1489 . 1 1 163 163 GLY HA2 H 1 4.243 0.01 . 2 . . . . . 163 GLY HA2 . 27417 1 1490 . 1 1 163 163 GLY HA3 H 1 3.767 0.01 . 2 . . . . . 163 GLY HA3 . 27417 1 1491 . 1 1 163 163 GLY C C 13 173.551 0.00 . 1 . . . . . 163 GLY C . 27417 1 1492 . 1 1 163 163 GLY CA C 13 45.897 0.14 . 1 . . . . . 163 GLY CA . 27417 1 1493 . 1 1 163 163 GLY N N 15 115.416 0.16 . 1 . . . . . 163 GLY N . 27417 1 1494 . 1 1 164 164 GLY H H 1 8.817 0.01 . 1 . . . . . 164 GLY H . 27417 1 1495 . 1 1 164 164 GLY HA2 H 1 4.686 0.02 . 2 . . . . . 164 GLY HA2 . 27417 1 1496 . 1 1 164 164 GLY HA3 H 1 3.755 0.02 . 2 . . . . . 164 GLY HA3 . 27417 1 1497 . 1 1 164 164 GLY C C 13 172.166 0.01 . 1 . . . . . 164 GLY C . 27417 1 1498 . 1 1 164 164 GLY CA C 13 44.238 0.18 . 1 . . . . . 164 GLY CA . 27417 1 1499 . 1 1 164 164 GLY N N 15 109.492 0.12 . 1 . . . . . 164 GLY N . 27417 1 1500 . 1 1 165 165 LEU H H 1 7.630 0.01 . 1 . . . . . 165 LEU H . 27417 1 1501 . 1 1 165 165 LEU HA H 1 5.566 0.01 . 1 . . . . . 165 LEU HA . 27417 1 1502 . 1 1 165 165 LEU HB2 H 1 1.761 0.01 . 2 . . . . . 165 LEU HB2 . 27417 1 1503 . 1 1 165 165 LEU HB3 H 1 1.346 0.01 . 2 . . . . . 165 LEU HB3 . 27417 1 1504 . 1 1 165 165 LEU HG H 1 1.022 0.00 . 1 . . . . . 165 LEU HG . 27417 1 1505 . 1 1 165 165 LEU C C 13 175.373 0.00 . 1 . . . . . 165 LEU C . 27417 1 1506 . 1 1 165 165 LEU CA C 13 53.468 0.09 . 1 . . . . . 165 LEU CA . 27417 1 1507 . 1 1 165 165 LEU CB C 13 46.137 0.08 . 1 . . . . . 165 LEU CB . 27417 1 1508 . 1 1 165 165 LEU N N 15 116.243 0.14 . 1 . . . . . 165 LEU N . 27417 1 1509 . 1 1 166 166 VAL H H 1 9.160 0.01 . 1 . . . . . 166 VAL H . 27417 1 1510 . 1 1 166 166 VAL HA H 1 5.026 0.02 . 1 . . . . . 166 VAL HA . 27417 1 1511 . 1 1 166 166 VAL HB H 1 2.015 0.01 . 1 . . . . . 166 VAL HB . 27417 1 1512 . 1 1 166 166 VAL HG11 H 1 1.079 0.01 . 2 . . . . . 166 VAL HG1* . 27417 1 1513 . 1 1 166 166 VAL HG12 H 1 1.079 0.01 . 2 . . . . . 166 VAL HG1* . 27417 1 1514 . 1 1 166 166 VAL HG13 H 1 1.079 0.01 . 2 . . . . . 166 VAL HG1* . 27417 1 1515 . 1 1 166 166 VAL HG21 H 1 0.865 0.01 . 2 . . . . . 166 VAL HG2* . 27417 1 1516 . 1 1 166 166 VAL HG22 H 1 0.865 0.01 . 2 . . . . . 166 VAL HG2* . 27417 1 1517 . 1 1 166 166 VAL HG23 H 1 0.865 0.01 . 2 . . . . . 166 VAL HG2* . 27417 1 1518 . 1 1 166 166 VAL C C 13 174.335 0.01 . 1 . . . . . 166 VAL C . 27417 1 1519 . 1 1 166 166 VAL CA C 13 60.684 0.12 . 1 . . . . . 166 VAL CA . 27417 1 1520 . 1 1 166 166 VAL CB C 13 33.897 0.05 . 1 . . . . . 166 VAL CB . 27417 1 1521 . 1 1 166 166 VAL CG1 C 13 20.780 0.15 . 2 . . . . . 166 VAL CG1 . 27417 1 1522 . 1 1 166 166 VAL CG2 C 13 21.492 0.06 . 2 . . . . . 166 VAL CG2 . 27417 1 1523 . 1 1 166 166 VAL N N 15 119.210 0.12 . 1 . . . . . 166 VAL N . 27417 1 1524 . 1 1 167 167 CYS H H 1 9.438 0.01 . 1 . . . . . 167 CYS H . 27417 1 1525 . 1 1 167 167 CYS HA H 1 5.567 0.02 . 1 . . . . . 167 CYS HA . 27417 1 1526 . 1 1 167 167 CYS HB2 H 1 2.655 0.02 . 2 . . . . . 167 CYS HB2 . 27417 1 1527 . 1 1 167 167 CYS HB3 H 1 2.528 0.01 . 2 . . . . . 167 CYS HB3 . 27417 1 1528 . 1 1 167 167 CYS C C 13 172.459 0.00 . 1 . . . . . 167 CYS C . 27417 1 1529 . 1 1 167 167 CYS CA C 13 56.413 0.09 . 1 . . . . . 167 CYS CA . 27417 1 1530 . 1 1 167 167 CYS CB C 13 28.537 0.09 . 1 . . . . . 167 CYS CB . 27417 1 1531 . 1 1 167 167 CYS N N 15 129.113 0.08 . 1 . . . . . 167 CYS N . 27417 1 1532 . 1 1 168 168 LEU H H 1 9.460 0.01 . 1 . . . . . 168 LEU H . 27417 1 1533 . 1 1 168 168 LEU HA H 1 5.483 0.02 . 1 . . . . . 168 LEU HA . 27417 1 1534 . 1 1 168 168 LEU HB2 H 1 1.794 0.02 . 2 . . . . . 168 LEU HB2 . 27417 1 1535 . 1 1 168 168 LEU HB3 H 1 1.712 0.02 . 2 . . . . . 168 LEU HB3 . 27417 1 1536 . 1 1 168 168 LEU HG H 1 0.800 0.01 . 1 . . . . . 168 LEU HG . 27417 1 1537 . 1 1 168 168 LEU C C 13 175.525 0.00 . 1 . . . . . 168 LEU C . 27417 1 1538 . 1 1 168 168 LEU CA C 13 53.664 0.04 . 1 . . . . . 168 LEU CA . 27417 1 1539 . 1 1 168 168 LEU CB C 13 44.587 0.15 . 1 . . . . . 168 LEU CB . 27417 1 1540 . 1 1 168 168 LEU CG C 13 27.824 0.13 . 1 . . . . . 168 LEU CG . 27417 1 1541 . 1 1 168 168 LEU N N 15 125.982 0.10 . 1 . . . . . 168 LEU N . 27417 1 1542 . 1 1 169 169 THR H H 1 7.088 0.02 . 1 . . . . . 169 THR H . 27417 1 1543 . 1 1 169 169 THR HA H 1 6.035 0.01 . 1 . . . . . 169 THR HA . 27417 1 1544 . 1 1 169 169 THR HB H 1 4.852 0.01 . 1 . . . . . 169 THR HB . 27417 1 1545 . 1 1 169 169 THR HG21 H 1 1.418 0.01 . 1 . . . . . 169 THR HG2* . 27417 1 1546 . 1 1 169 169 THR HG22 H 1 1.418 0.01 . 1 . . . . . 169 THR HG2* . 27417 1 1547 . 1 1 169 169 THR HG23 H 1 1.418 0.01 . 1 . . . . . 169 THR HG2* . 27417 1 1548 . 1 1 169 169 THR C C 13 174.328 0.00 . 1 . . . . . 169 THR C . 27417 1 1549 . 1 1 169 169 THR CA C 13 59.572 0.23 . 1 . . . . . 169 THR CA . 27417 1 1550 . 1 1 169 169 THR CB C 13 72.348 0.07 . 1 . . . . . 169 THR CB . 27417 1 1551 . 1 1 169 169 THR CG2 C 13 22.826 0.03 . 1 . . . . . 169 THR CG2 . 27417 1 1552 . 1 1 169 169 THR N N 15 107.381 0.10 . 1 . . . . . 169 THR N . 27417 1 1553 . 1 1 170 170 THR H H 1 8.672 0.02 . 1 . . . . . 170 THR H . 27417 1 1554 . 1 1 170 170 THR HA H 1 4.823 0.01 . 1 . . . . . 170 THR HA . 27417 1 1555 . 1 1 170 170 THR HB H 1 4.291 0.02 . 1 . . . . . 170 THR HB . 27417 1 1556 . 1 1 170 170 THR HG21 H 1 1.139 0.02 . 1 . . . . . 170 THR HG2* . 27417 1 1557 . 1 1 170 170 THR HG22 H 1 1.139 0.02 . 1 . . . . . 170 THR HG2* . 27417 1 1558 . 1 1 170 170 THR HG23 H 1 1.139 0.02 . 1 . . . . . 170 THR HG2* . 27417 1 1559 . 1 1 170 170 THR C C 13 171.567 0.05 . 1 . . . . . 170 THR C . 27417 1 1560 . 1 1 170 170 THR CA C 13 63.022 0.10 . 1 . . . . . 170 THR CA . 27417 1 1561 . 1 1 170 170 THR CB C 13 71.132 0.07 . 1 . . . . . 170 THR CB . 27417 1 1562 . 1 1 170 170 THR N N 15 113.954 0.20 . 1 . . . . . 170 THR N . 27417 1 1563 . 1 1 171 171 ARG H H 1 7.217 0.04 . 1 . . . . . 171 ARG H . 27417 1 1564 . 1 1 171 171 ARG C C 13 177.343 0.02 . 1 . . . . . 171 ARG C . 27417 1 1565 . 1 1 171 171 ARG CA C 13 56.240 0.09 . 1 . . . . . 171 ARG CA . 27417 1 1566 . 1 1 171 171 ARG N N 15 121.738 0.18 . 1 . . . . . 171 ARG N . 27417 1 1567 . 1 1 172 172 THR H H 1 8.700 0.01 . 1 . . . . . 172 THR H . 27417 1 1568 . 1 1 172 172 THR HA H 1 4.498 0.01 . 1 . . . . . 172 THR HA . 27417 1 1569 . 1 1 172 172 THR HB H 1 4.554 0.02 . 1 . . . . . 172 THR HB . 27417 1 1570 . 1 1 172 172 THR HG21 H 1 0.773 0.01 . 1 . . . . . 172 THR HG2* . 27417 1 1571 . 1 1 172 172 THR HG22 H 1 0.773 0.01 . 1 . . . . . 172 THR HG2* . 27417 1 1572 . 1 1 172 172 THR HG23 H 1 0.773 0.01 . 1 . . . . . 172 THR HG2* . 27417 1 1573 . 1 1 172 172 THR C C 13 173.558 0.00 . 1 . . . . . 172 THR C . 27417 1 1574 . 1 1 172 172 THR CA C 13 59.532 0.18 . 1 . . . . . 172 THR CA . 27417 1 1575 . 1 1 172 172 THR CB C 13 66.371 0.16 . 1 . . . . . 172 THR CB . 27417 1 1576 . 1 1 172 172 THR N N 15 110.853 0.14 . 1 . . . . . 172 THR N . 27417 1 1577 . 1 1 173 173 ASN H H 1 8.194 0.01 . 1 . . . . . 173 ASN H . 27417 1 1578 . 1 1 173 173 ASN HA H 1 5.051 0.01 . 1 . . . . . 173 ASN HA . 27417 1 1579 . 1 1 173 173 ASN HB2 H 1 3.329 0.03 . 2 . . . . . 173 ASN HB2 . 27417 1 1580 . 1 1 173 173 ASN HB3 H 1 2.789 0.01 . 2 . . . . . 173 ASN HB3 . 27417 1 1581 . 1 1 173 173 ASN C C 13 173.691 0.00 . 1 . . . . . 173 ASN C . 27417 1 1582 . 1 1 173 173 ASN CA C 13 52.407 0.12 . 1 . . . . . 173 ASN CA . 27417 1 1583 . 1 1 173 173 ASN CB C 13 35.070 0.09 . 1 . . . . . 173 ASN CB . 27417 1 1584 . 1 1 173 173 ASN N N 15 117.188 0.05 . 1 . . . . . 173 ASN N . 27417 1 1585 . 1 1 175 175 SER H H 1 9.214 0.01 . 1 . . . . . 175 SER H . 27417 1 1586 . 1 1 175 175 SER HA H 1 4.237 0.03 . 1 . . . . . 175 SER HA . 27417 1 1587 . 1 1 175 175 SER HB2 H 1 3.391 0.03 . 2 . . . . . 175 SER HB2 . 27417 1 1588 . 1 1 175 175 SER HB3 H 1 3.044 0.01 . 2 . . . . . 175 SER HB3 . 27417 1 1589 . 1 1 175 175 SER C C 13 174.890 0.07 . 1 . . . . . 175 SER C . 27417 1 1590 . 1 1 175 175 SER CA C 13 61.031 0.18 . 1 . . . . . 175 SER CA . 27417 1 1591 . 1 1 175 175 SER N N 15 125.862 0.10 . 1 . . . . . 175 SER N . 27417 1 1592 . 1 1 176 176 ASN H H 1 7.790 0.01 . 1 . . . . . 176 ASN H . 27417 1 1593 . 1 1 176 176 ASN HA H 1 4.898 0.00 . 1 . . . . . 176 ASN HA . 27417 1 1594 . 1 1 176 176 ASN C C 13 174.548 0.01 . 1 . . . . . 176 ASN C . 27417 1 1595 . 1 1 176 176 ASN CA C 13 54.664 0.17 . 1 . . . . . 176 ASN CA . 27417 1 1596 . 1 1 176 176 ASN N N 15 108.291 0.24 . 1 . . . . . 176 ASN N . 27417 1 1597 . 1 1 177 177 LEU H H 1 9.064 0.03 . 1 . . . . . 177 LEU H . 27417 1 1598 . 1 1 177 177 LEU HA H 1 3.918 0.01 . 1 . . . . . 177 LEU HA . 27417 1 1599 . 1 1 177 177 LEU HB2 H 1 1.550 0.01 . 2 . . . . . 177 LEU HB2 . 27417 1 1600 . 1 1 177 177 LEU HB3 H 1 1.265 0.01 . 2 . . . . . 177 LEU HB3 . 27417 1 1601 . 1 1 177 177 LEU HG H 1 1.164 0.02 . 1 . . . . . 177 LEU HG . 27417 1 1602 . 1 1 177 177 LEU HD11 H 1 0.790 0.01 . 2 . . . . . 177 LEU HD1* . 27417 1 1603 . 1 1 177 177 LEU HD12 H 1 0.790 0.01 . 2 . . . . . 177 LEU HD1* . 27417 1 1604 . 1 1 177 177 LEU HD13 H 1 0.790 0.01 . 2 . . . . . 177 LEU HD1* . 27417 1 1605 . 1 1 177 177 LEU HD21 H 1 0.006 0.03 . 2 . . . . . 177 LEU HD2* . 27417 1 1606 . 1 1 177 177 LEU HD22 H 1 0.006 0.03 . 2 . . . . . 177 LEU HD2* . 27417 1 1607 . 1 1 177 177 LEU HD23 H 1 0.006 0.03 . 2 . . . . . 177 LEU HD2* . 27417 1 1608 . 1 1 177 177 LEU CA C 13 56.067 0.18 . 1 . . . . . 177 LEU CA . 27417 1 1609 . 1 1 177 177 LEU CB C 13 42.245 0.09 . 1 . . . . . 177 LEU CB . 27417 1 1610 . 1 1 177 177 LEU CG C 13 26.929 0.15 . 1 . . . . . 177 LEU CG . 27417 1 1611 . 1 1 177 177 LEU CD1 C 13 25.943 0.07 . 2 . . . . . 177 LEU CD1 . 27417 1 1612 . 1 1 177 177 LEU CD2 C 13 21.965 0.14 . 2 . . . . . 177 LEU CD2 . 27417 1 1613 . 1 1 177 177 LEU N N 15 121.259 0.19 . 1 . . . . . 177 LEU N . 27417 1 1614 . 1 1 178 178 PRO HA H 1 4.305 0.00 . 1 . . . . . 178 PRO HA . 27417 1 1615 . 1 1 178 178 PRO C C 13 179.635 0.00 . 1 . . . . . 178 PRO C . 27417 1 1616 . 1 1 178 178 PRO CA C 13 66.309 0.20 . 1 . . . . . 178 PRO CA . 27417 1 1617 . 1 1 178 178 PRO CB C 13 30.590 0.00 . 1 . . . . . 178 PRO CB . 27417 1 1618 . 1 1 179 179 TYR H H 1 7.613 0.01 . 1 . . . . . 179 TYR H . 27417 1 1619 . 1 1 179 179 TYR HA H 1 3.977 0.00 . 1 . . . . . 179 TYR HA . 27417 1 1620 . 1 1 179 179 TYR HB2 H 1 3.071 0.01 . 2 . . . . . 179 TYR HB* . 27417 1 1621 . 1 1 179 179 TYR HB3 H 1 3.071 0.01 . 2 . . . . . 179 TYR HB* . 27417 1 1622 . 1 1 179 179 TYR HD1 H 1 6.900 0.00 . 3 . . . . . 179 TYR HD* . 27417 1 1623 . 1 1 179 179 TYR HD2 H 1 6.900 0.00 . 3 . . . . . 179 TYR HD* . 27417 1 1624 . 1 1 179 179 TYR C C 13 177.216 0.03 . 1 . . . . . 179 TYR C . 27417 1 1625 . 1 1 179 179 TYR CA C 13 61.774 0.07 . 1 . . . . . 179 TYR CA . 27417 1 1626 . 1 1 179 179 TYR CB C 13 38.115 0.04 . 1 . . . . . 179 TYR CB . 27417 1 1627 . 1 1 179 179 TYR N N 15 119.706 0.10 . 1 . . . . . 179 TYR N . 27417 1 1628 . 1 1 180 180 LYS H H 1 8.764 0.01 . 1 . . . . . 180 LYS H . 27417 1 1629 . 1 1 180 180 LYS HA H 1 3.824 0.01 . 1 . . . . . 180 LYS HA . 27417 1 1630 . 1 1 180 180 LYS C C 13 177.817 0.06 . 1 . . . . . 180 LYS C . 27417 1 1631 . 1 1 180 180 LYS CA C 13 60.145 0.08 . 1 . . . . . 180 LYS CA . 27417 1 1632 . 1 1 180 180 LYS CB C 13 32.764 0.00 . 1 . . . . . 180 LYS CB . 27417 1 1633 . 1 1 180 180 LYS N N 15 122.632 0.13 . 1 . . . . . 180 LYS N . 27417 1 1634 . 1 1 181 181 GLU H H 1 8.472 0.01 . 1 . . . . . 181 GLU H . 27417 1 1635 . 1 1 181 181 GLU HA H 1 4.070 0.01 . 1 . . . . . 181 GLU HA . 27417 1 1636 . 1 1 181 181 GLU HB2 H 1 2.088 0.02 . 2 . . . . . 181 GLU HB* . 27417 1 1637 . 1 1 181 181 GLU HB3 H 1 2.088 0.02 . 2 . . . . . 181 GLU HB* . 27417 1 1638 . 1 1 181 181 GLU C C 13 179.952 0.00 . 1 . . . . . 181 GLU C . 27417 1 1639 . 1 1 181 181 GLU CA C 13 59.833 0.05 . 1 . . . . . 181 GLU CA . 27417 1 1640 . 1 1 181 181 GLU CB C 13 29.075 0.02 . 1 . . . . . 181 GLU CB . 27417 1 1641 . 1 1 181 181 GLU N N 15 118.947 0.13 . 1 . . . . . 181 GLU N . 27417 1 1642 . 1 1 182 182 THR H H 1 7.708 0.01 . 1 . . . . . 182 THR H . 27417 1 1643 . 1 1 182 182 THR HA H 1 3.960 0.01 . 1 . . . . . 182 THR HA . 27417 1 1644 . 1 1 182 182 THR HB H 1 4.115 0.01 . 1 . . . . . 182 THR HB . 27417 1 1645 . 1 1 182 182 THR HG21 H 1 1.175 0.01 . 1 . . . . . 182 THR HG2* . 27417 1 1646 . 1 1 182 182 THR HG22 H 1 1.175 0.01 . 1 . . . . . 182 THR HG2* . 27417 1 1647 . 1 1 182 182 THR HG23 H 1 1.175 0.01 . 1 . . . . . 182 THR HG2* . 27417 1 1648 . 1 1 182 182 THR C C 13 176.961 0.00 . 1 . . . . . 182 THR C . 27417 1 1649 . 1 1 182 182 THR CA C 13 65.819 0.13 . 1 . . . . . 182 THR CA . 27417 1 1650 . 1 1 182 182 THR CB C 13 68.045 0.09 . 1 . . . . . 182 THR CB . 27417 1 1651 . 1 1 182 182 THR N N 15 118.165 0.09 . 1 . . . . . 182 THR N . 27417 1 1652 . 1 1 183 183 LEU H H 1 9.045 0.01 . 1 . . . . . 183 LEU H . 27417 1 1653 . 1 1 183 183 LEU HA H 1 3.854 0.01 . 1 . . . . . 183 LEU HA . 27417 1 1654 . 1 1 183 183 LEU HB2 H 1 2.081 0.01 . 2 . . . . . 183 LEU HB2 . 27417 1 1655 . 1 1 183 183 LEU HB3 H 1 1.203 0.01 . 2 . . . . . 183 LEU HB3 . 27417 1 1656 . 1 1 183 183 LEU HG H 1 0.948 0.01 . 1 . . . . . 183 LEU HG . 27417 1 1657 . 1 1 183 183 LEU C C 13 178.609 0.00 . 1 . . . . . 183 LEU C . 27417 1 1658 . 1 1 183 183 LEU CA C 13 58.777 0.02 . 1 . . . . . 183 LEU CA . 27417 1 1659 . 1 1 183 183 LEU CB C 13 40.786 0.12 . 1 . . . . . 183 LEU CB . 27417 1 1660 . 1 1 183 183 LEU CG C 13 26.465 0.12 . 1 . . . . . 183 LEU CG . 27417 1 1661 . 1 1 183 183 LEU N N 15 128.351 0.13 . 1 . . . . . 183 LEU N . 27417 1 1662 . 1 1 184 184 GLU H H 1 8.840 0.01 . 1 . . . . . 184 GLU H . 27417 1 1663 . 1 1 184 184 GLU HA H 1 3.671 0.01 . 1 . . . . . 184 GLU HA . 27417 1 1664 . 1 1 184 184 GLU HB2 H 1 2.044 0.01 . 2 . . . . . 184 GLU HB* . 27417 1 1665 . 1 1 184 184 GLU HB3 H 1 2.044 0.01 . 2 . . . . . 184 GLU HB* . 27417 1 1666 . 1 1 184 184 GLU HG2 H 1 2.697 0.00 . 2 . . . . . 184 GLU HG2 . 27417 1 1667 . 1 1 184 184 GLU HG3 H 1 2.320 0.01 . 2 . . . . . 184 GLU HG3 . 27417 1 1668 . 1 1 184 184 GLU C C 13 178.219 0.01 . 1 . . . . . 184 GLU C . 27417 1 1669 . 1 1 184 184 GLU CA C 13 60.229 0.10 . 1 . . . . . 184 GLU CA . 27417 1 1670 . 1 1 184 184 GLU CB C 13 28.302 0.08 . 1 . . . . . 184 GLU CB . 27417 1 1671 . 1 1 184 184 GLU CG C 13 37.485 0.08 . 1 . . . . . 184 GLU CG . 27417 1 1672 . 1 1 184 184 GLU N N 15 119.357 0.10 . 1 . . . . . 184 GLU N . 27417 1 1673 . 1 1 185 185 ALA H H 1 7.806 0.01 . 1 . . . . . 185 ALA H . 27417 1 1674 . 1 1 185 185 ALA HA H 1 4.274 0.01 . 1 . . . . . 185 ALA HA . 27417 1 1675 . 1 1 185 185 ALA HB1 H 1 1.520 0.01 . 1 . . . . . 185 ALA HB* . 27417 1 1676 . 1 1 185 185 ALA HB2 H 1 1.520 0.01 . 1 . . . . . 185 ALA HB* . 27417 1 1677 . 1 1 185 185 ALA HB3 H 1 1.520 0.01 . 1 . . . . . 185 ALA HB* . 27417 1 1678 . 1 1 185 185 ALA C C 13 181.245 0.01 . 1 . . . . . 185 ALA C . 27417 1 1679 . 1 1 185 185 ALA CA C 13 55.170 0.13 . 1 . . . . . 185 ALA CA . 27417 1 1680 . 1 1 185 185 ALA CB C 13 17.527 0.05 . 1 . . . . . 185 ALA CB . 27417 1 1681 . 1 1 185 185 ALA N N 15 121.187 0.15 . 1 . . . . . 185 ALA N . 27417 1 1682 . 1 1 186 186 THR H H 1 7.838 0.02 . 1 . . . . . 186 THR H . 27417 1 1683 . 1 1 186 186 THR HA H 1 3.869 0.01 . 1 . . . . . 186 THR HA . 27417 1 1684 . 1 1 186 186 THR HB H 1 4.520 0.01 . 1 . . . . . 186 THR HB . 27417 1 1685 . 1 1 186 186 THR HG21 H 1 1.071 0.00 . 1 . . . . . 186 THR HG2* . 27417 1 1686 . 1 1 186 186 THR HG22 H 1 1.071 0.00 . 1 . . . . . 186 THR HG2* . 27417 1 1687 . 1 1 186 186 THR HG23 H 1 1.071 0.00 . 1 . . . . . 186 THR HG2* . 27417 1 1688 . 1 1 186 186 THR C C 13 176.166 0.00 . 1 . . . . . 186 THR C . 27417 1 1689 . 1 1 186 186 THR CA C 13 67.216 0.09 . 1 . . . . . 186 THR CA . 27417 1 1690 . 1 1 186 186 THR CB C 13 68.525 0.08 . 1 . . . . . 186 THR CB . 27417 1 1691 . 1 1 186 186 THR N N 15 118.656 0.08 . 1 . . . . . 186 THR N . 27417 1 1692 . 1 1 187 187 LEU H H 1 8.664 0.01 . 1 . . . . . 187 LEU H . 27417 1 1693 . 1 1 187 187 LEU HA H 1 3.999 0.01 . 1 . . . . . 187 LEU HA . 27417 1 1694 . 1 1 187 187 LEU HB2 H 1 1.812 0.01 . 2 . . . . . 187 LEU HB2 . 27417 1 1695 . 1 1 187 187 LEU HB3 H 1 1.653 0.03 . 2 . . . . . 187 LEU HB3 . 27417 1 1696 . 1 1 187 187 LEU HG H 1 1.847 0.01 . 1 . . . . . 187 LEU HG . 27417 1 1697 . 1 1 187 187 LEU HD11 H 1 0.468 0.02 . 2 . . . . . 187 LEU HD1* . 27417 1 1698 . 1 1 187 187 LEU HD12 H 1 0.468 0.02 . 2 . . . . . 187 LEU HD1* . 27417 1 1699 . 1 1 187 187 LEU HD13 H 1 0.468 0.02 . 2 . . . . . 187 LEU HD1* . 27417 1 1700 . 1 1 187 187 LEU HD21 H 1 0.238 0.01 . 2 . . . . . 187 LEU HD2* . 27417 1 1701 . 1 1 187 187 LEU HD22 H 1 0.238 0.01 . 2 . . . . . 187 LEU HD2* . 27417 1 1702 . 1 1 187 187 LEU HD23 H 1 0.238 0.01 . 2 . . . . . 187 LEU HD2* . 27417 1 1703 . 1 1 187 187 LEU C C 13 179.937 0.00 . 1 . . . . . 187 LEU C . 27417 1 1704 . 1 1 187 187 LEU CA C 13 58.991 0.13 . 1 . . . . . 187 LEU CA . 27417 1 1705 . 1 1 187 187 LEU CB C 13 38.762 0.10 . 1 . . . . . 187 LEU CB . 27417 1 1706 . 1 1 187 187 LEU CG C 13 25.761 0.03 . 1 . . . . . 187 LEU CG . 27417 1 1707 . 1 1 187 187 LEU CD1 C 13 23.077 0.07 . 2 . . . . . 187 LEU CD1 . 27417 1 1708 . 1 1 187 187 LEU CD2 C 13 23.326 0.08 . 2 . . . . . 187 LEU CD2 . 27417 1 1709 . 1 1 187 187 LEU N N 15 122.743 0.11 . 1 . . . . . 187 LEU N . 27417 1 1710 . 1 1 188 188 ASP H H 1 8.660 0.01 . 1 . . . . . 188 ASP H . 27417 1 1711 . 1 1 188 188 ASP HA H 1 4.641 0.01 . 1 . . . . . 188 ASP HA . 27417 1 1712 . 1 1 188 188 ASP HB2 H 1 2.861 0.01 . 2 . . . . . 188 ASP HB2 . 27417 1 1713 . 1 1 188 188 ASP HB3 H 1 2.684 0.01 . 2 . . . . . 188 ASP HB3 . 27417 1 1714 . 1 1 188 188 ASP C C 13 178.841 0.01 . 1 . . . . . 188 ASP C . 27417 1 1715 . 1 1 188 188 ASP CA C 13 57.049 0.10 . 1 . . . . . 188 ASP CA . 27417 1 1716 . 1 1 188 188 ASP CB C 13 40.933 0.10 . 1 . . . . . 188 ASP CB . 27417 1 1717 . 1 1 188 188 ASP N N 15 118.369 0.08 . 1 . . . . . 188 ASP N . 27417 1 1718 . 1 1 189 189 SER H H 1 8.079 0.01 . 1 . . . . . 189 SER H . 27417 1 1719 . 1 1 189 189 SER HA H 1 4.027 0.00 . 1 . . . . . 189 SER HA . 27417 1 1720 . 1 1 189 189 SER HB2 H 1 4.035 0.01 . 2 . . . . . 189 SER HB* . 27417 1 1721 . 1 1 189 189 SER HB3 H 1 4.035 0.01 . 2 . . . . . 189 SER HB* . 27417 1 1722 . 1 1 189 189 SER C C 13 177.629 0.00 . 1 . . . . . 189 SER C . 27417 1 1723 . 1 1 189 189 SER CA C 13 61.986 0.02 . 1 . . . . . 189 SER CA . 27417 1 1724 . 1 1 189 189 SER CB C 13 62.468 0.00 . 1 . . . . . 189 SER CB . 27417 1 1725 . 1 1 189 189 SER N N 15 116.700 0.10 . 1 . . . . . 189 SER N . 27417 1 1726 . 1 1 190 190 LEU H H 1 7.505 0.01 . 1 . . . . . 190 LEU H . 27417 1 1727 . 1 1 190 190 LEU HA H 1 4.006 0.01 . 1 . . . . . 190 LEU HA . 27417 1 1728 . 1 1 190 190 LEU HB2 H 1 1.553 0.02 . 2 . . . . . 190 LEU HB2 . 27417 1 1729 . 1 1 190 190 LEU HB3 H 1 0.264 0.01 . 2 . . . . . 190 LEU HB3 . 27417 1 1730 . 1 1 190 190 LEU HG H 1 1.477 0.01 . 1 . . . . . 190 LEU HG . 27417 1 1731 . 1 1 190 190 LEU HD11 H 1 0.093 0.01 . 2 . . . . . 190 LEU HD1* . 27417 1 1732 . 1 1 190 190 LEU HD12 H 1 0.093 0.01 . 2 . . . . . 190 LEU HD1* . 27417 1 1733 . 1 1 190 190 LEU HD13 H 1 0.093 0.01 . 2 . . . . . 190 LEU HD1* . 27417 1 1734 . 1 1 190 190 LEU HD21 H 1 0.335 0.02 . 2 . . . . . 190 LEU HD2* . 27417 1 1735 . 1 1 190 190 LEU HD22 H 1 0.335 0.02 . 2 . . . . . 190 LEU HD2* . 27417 1 1736 . 1 1 190 190 LEU HD23 H 1 0.335 0.02 . 2 . . . . . 190 LEU HD2* . 27417 1 1737 . 1 1 190 190 LEU C C 13 178.341 0.02 . 1 . . . . . 190 LEU C . 27417 1 1738 . 1 1 190 190 LEU CA C 13 57.803 0.02 . 1 . . . . . 190 LEU CA . 27417 1 1739 . 1 1 190 190 LEU CB C 13 41.006 0.12 . 1 . . . . . 190 LEU CB . 27417 1 1740 . 1 1 190 190 LEU CG C 13 26.903 0.03 . 1 . . . . . 190 LEU CG . 27417 1 1741 . 1 1 190 190 LEU CD1 C 13 25.423 0.07 . 2 . . . . . 190 LEU CD1 . 27417 1 1742 . 1 1 190 190 LEU CD2 C 13 22.131 0.06 . 2 . . . . . 190 LEU CD2 . 27417 1 1743 . 1 1 190 190 LEU N N 15 123.367 0.09 . 1 . . . . . 190 LEU N . 27417 1 1744 . 1 1 191 191 GLU H H 1 8.235 0.01 . 1 . . . . . 191 GLU H . 27417 1 1745 . 1 1 191 191 GLU HA H 1 4.810 0.01 . 1 . . . . . 191 GLU HA . 27417 1 1746 . 1 1 191 191 GLU HB2 H 1 2.613 0.01 . 2 . . . . . 191 GLU HB2 . 27417 1 1747 . 1 1 191 191 GLU HB3 H 1 2.271 0.02 . 2 . . . . . 191 GLU HB3 . 27417 1 1748 . 1 1 191 191 GLU HG2 H 1 2.934 0.01 . 2 . . . . . 191 GLU HG2 . 27417 1 1749 . 1 1 191 191 GLU HG3 H 1 2.531 0.02 . 2 . . . . . 191 GLU HG3 . 27417 1 1750 . 1 1 191 191 GLU C C 13 180.996 0.03 . 1 . . . . . 191 GLU C . 27417 1 1751 . 1 1 191 191 GLU CA C 13 60.124 0.14 . 1 . . . . . 191 GLU CA . 27417 1 1752 . 1 1 191 191 GLU CB C 13 29.927 0.15 . 1 . . . . . 191 GLU CB . 27417 1 1753 . 1 1 191 191 GLU CG C 13 37.083 0.12 . 1 . . . . . 191 GLU CG . 27417 1 1754 . 1 1 191 191 GLU N N 15 122.018 0.08 . 1 . . . . . 191 GLU N . 27417 1 1755 . 1 1 192 192 ARG H H 1 9.064 0.01 . 1 . . . . . 192 ARG H . 27417 1 1756 . 1 1 192 192 ARG HA H 1 4.163 0.01 . 1 . . . . . 192 ARG HA . 27417 1 1757 . 1 1 192 192 ARG HB2 H 1 1.995 0.01 . 2 . . . . . 192 ARG HB2 . 27417 1 1758 . 1 1 192 192 ARG HB3 H 1 1.919 0.01 . 2 . . . . . 192 ARG HB3 . 27417 1 1759 . 1 1 192 192 ARG HG2 H 1 1.921 0.00 . 2 . . . . . 192 ARG HG2 . 27417 1 1760 . 1 1 192 192 ARG HG3 H 1 1.709 0.02 . 2 . . . . . 192 ARG HG3 . 27417 1 1761 . 1 1 192 192 ARG HD2 H 1 3.280 0.01 . 2 . . . . . 192 ARG HD2 . 27417 1 1762 . 1 1 192 192 ARG HD3 H 1 3.177 0.00 . 2 . . . . . 192 ARG HD3 . 27417 1 1763 . 1 1 192 192 ARG C C 13 178.258 0.01 . 1 . . . . . 192 ARG C . 27417 1 1764 . 1 1 192 192 ARG CA C 13 59.320 0.11 . 1 . . . . . 192 ARG CA . 27417 1 1765 . 1 1 192 192 ARG CB C 13 29.850 0.12 . 1 . . . . . 192 ARG CB . 27417 1 1766 . 1 1 192 192 ARG CG C 13 28.141 0.10 . 1 . . . . . 192 ARG CG . 27417 1 1767 . 1 1 192 192 ARG N N 15 122.007 0.07 . 1 . . . . . 192 ARG N . 27417 1 1768 . 1 1 193 193 ALA H H 1 7.511 0.01 . 1 . . . . . 193 ALA H . 27417 1 1769 . 1 1 193 193 ALA HA H 1 4.349 0.01 . 1 . . . . . 193 ALA HA . 27417 1 1770 . 1 1 193 193 ALA HB1 H 1 1.561 0.01 . 1 . . . . . 193 ALA HB* . 27417 1 1771 . 1 1 193 193 ALA HB2 H 1 1.561 0.01 . 1 . . . . . 193 ALA HB* . 27417 1 1772 . 1 1 193 193 ALA HB3 H 1 1.561 0.01 . 1 . . . . . 193 ALA HB* . 27417 1 1773 . 1 1 193 193 ALA C C 13 178.127 0.02 . 1 . . . . . 193 ALA C . 27417 1 1774 . 1 1 193 193 ALA CA C 13 52.547 0.09 . 1 . . . . . 193 ALA CA . 27417 1 1775 . 1 1 193 193 ALA CB C 13 18.679 0.09 . 1 . . . . . 193 ALA CB . 27417 1 1776 . 1 1 193 193 ALA N N 15 119.026 0.12 . 1 . . . . . 193 ALA N . 27417 1 1777 . 1 1 194 194 GLY H H 1 8.056 0.01 . 1 . . . . . 194 GLY H . 27417 1 1778 . 1 1 194 194 GLY HA2 H 1 4.193 0.01 . 2 . . . . . 194 GLY HA2 . 27417 1 1779 . 1 1 194 194 GLY HA3 H 1 4.070 0.01 . 2 . . . . . 194 GLY HA3 . 27417 1 1780 . 1 1 194 194 GLY C C 13 175.160 0.00 . 1 . . . . . 194 GLY C . 27417 1 1781 . 1 1 194 194 GLY CA C 13 45.373 0.09 . 1 . . . . . 194 GLY CA . 27417 1 1782 . 1 1 194 194 GLY N N 15 106.061 0.12 . 1 . . . . . 194 GLY N . 27417 1 1783 . 1 1 195 195 VAL H H 1 7.407 0.02 . 1 . . . . . 195 VAL H . 27417 1 1784 . 1 1 195 195 VAL HA H 1 4.164 0.01 . 1 . . . . . 195 VAL HA . 27417 1 1785 . 1 1 195 195 VAL HB H 1 2.071 0.01 . 1 . . . . . 195 VAL HB . 27417 1 1786 . 1 1 195 195 VAL HG11 H 1 0.785 0.01 . 2 . . . . . 195 VAL HG1* . 27417 1 1787 . 1 1 195 195 VAL HG12 H 1 0.785 0.01 . 2 . . . . . 195 VAL HG1* . 27417 1 1788 . 1 1 195 195 VAL HG13 H 1 0.785 0.01 . 2 . . . . . 195 VAL HG1* . 27417 1 1789 . 1 1 195 195 VAL HG21 H 1 0.608 0.01 . 2 . . . . . 195 VAL HG2* . 27417 1 1790 . 1 1 195 195 VAL HG22 H 1 0.608 0.01 . 2 . . . . . 195 VAL HG2* . 27417 1 1791 . 1 1 195 195 VAL HG23 H 1 0.608 0.01 . 2 . . . . . 195 VAL HG2* . 27417 1 1792 . 1 1 195 195 VAL C C 13 176.603 0.00 . 1 . . . . . 195 VAL C . 27417 1 1793 . 1 1 195 195 VAL CA C 13 62.969 0.11 . 1 . . . . . 195 VAL CA . 27417 1 1794 . 1 1 195 195 VAL CB C 13 31.647 0.05 . 1 . . . . . 195 VAL CB . 27417 1 1795 . 1 1 195 195 VAL CG1 C 13 21.858 0.08 . 2 . . . . . 195 VAL CG1 . 27417 1 1796 . 1 1 195 195 VAL CG2 C 13 20.553 0.06 . 2 . . . . . 195 VAL CG2 . 27417 1 1797 . 1 1 195 195 VAL N N 15 111.157 0.17 . 1 . . . . . 195 VAL N . 27417 1 1798 . 1 1 196 196 TRP H H 1 7.810 0.01 . 1 . . . . . 196 TRP H . 27417 1 1799 . 1 1 196 196 TRP HA H 1 5.439 0.01 . 1 . . . . . 196 TRP HA . 27417 1 1800 . 1 1 196 196 TRP HB2 H 1 3.539 0.01 . 2 . . . . . 196 TRP HB2 . 27417 1 1801 . 1 1 196 196 TRP HB3 H 1 3.155 0.01 . 2 . . . . . 196 TRP HB3 . 27417 1 1802 . 1 1 196 196 TRP HD1 H 1 6.716 0.00 . 1 . . . . . 196 TRP HD1 . 27417 1 1803 . 1 1 196 196 TRP C C 13 173.527 0.01 . 1 . . . . . 196 TRP C . 27417 1 1804 . 1 1 196 196 TRP CA C 13 53.569 0.14 . 1 . . . . . 196 TRP CA . 27417 1 1805 . 1 1 196 196 TRP CB C 13 30.837 0.08 . 1 . . . . . 196 TRP CB . 27417 1 1806 . 1 1 196 196 TRP N N 15 115.089 0.11 . 1 . . . . . 196 TRP N . 27417 1 1807 . 1 1 197 197 GLU H H 1 8.819 0.01 . 1 . . . . . 197 GLU H . 27417 1 1808 . 1 1 197 197 GLU HA H 1 4.990 0.01 . 1 . . . . . 197 GLU HA . 27417 1 1809 . 1 1 197 197 GLU HB2 H 1 1.957 0.01 . 2 . . . . . 197 GLU HB* . 27417 1 1810 . 1 1 197 197 GLU HB3 H 1 1.957 0.01 . 2 . . . . . 197 GLU HB* . 27417 1 1811 . 1 1 197 197 GLU HG2 H 1 2.153 0.01 . 2 . . . . . 197 GLU HG* . 27417 1 1812 . 1 1 197 197 GLU HG3 H 1 2.153 0.01 . 2 . . . . . 197 GLU HG* . 27417 1 1813 . 1 1 197 197 GLU C C 13 173.940 0.06 . 1 . . . . . 197 GLU C . 27417 1 1814 . 1 1 197 197 GLU CA C 13 53.992 0.08 . 1 . . . . . 197 GLU CA . 27417 1 1815 . 1 1 197 197 GLU CB C 13 33.643 0.08 . 1 . . . . . 197 GLU CB . 27417 1 1816 . 1 1 197 197 GLU CG C 13 35.607 0.11 . 1 . . . . . 197 GLU CG . 27417 1 1817 . 1 1 197 197 GLU N N 15 118.273 0.12 . 1 . . . . . 197 GLU N . 27417 1 1818 . 1 1 198 198 CYS H H 1 8.814 0.01 . 1 . . . . . 198 CYS H . 27417 1 1819 . 1 1 198 198 CYS HA H 1 2.612 0.05 . 1 . . . . . 198 CYS HA . 27417 1 1820 . 1 1 198 198 CYS HB2 H 1 2.519 0.01 . 2 . . . . . 198 CYS HB2 . 27417 1 1821 . 1 1 198 198 CYS HB3 H 1 2.355 0.01 . 2 . . . . . 198 CYS HB3 . 27417 1 1822 . 1 1 198 198 CYS C C 13 174.757 0.02 . 1 . . . . . 198 CYS C . 27417 1 1823 . 1 1 198 198 CYS CA C 13 59.942 0.15 . 1 . . . . . 198 CYS CA . 27417 1 1824 . 1 1 198 198 CYS CB C 13 27.151 0.05 . 1 . . . . . 198 CYS CB . 27417 1 1825 . 1 1 198 198 CYS N N 15 126.344 0.12 . 1 . . . . . 198 CYS N . 27417 1 1826 . 1 1 199 199 LEU H H 1 9.032 0.01 . 1 . . . . . 199 LEU H . 27417 1 1827 . 1 1 199 199 LEU HA H 1 4.371 0.01 . 1 . . . . . 199 LEU HA . 27417 1 1828 . 1 1 199 199 LEU HB2 H 1 1.422 0.01 . 2 . . . . . 199 LEU HB* . 27417 1 1829 . 1 1 199 199 LEU HB3 H 1 1.422 0.01 . 2 . . . . . 199 LEU HB* . 27417 1 1830 . 1 1 199 199 LEU HD21 H 1 0.675 0.01 . 2 . . . . . 199 LEU HD2* . 27417 1 1831 . 1 1 199 199 LEU HD22 H 1 0.675 0.01 . 2 . . . . . 199 LEU HD2* . 27417 1 1832 . 1 1 199 199 LEU HD23 H 1 0.675 0.01 . 2 . . . . . 199 LEU HD2* . 27417 1 1833 . 1 1 199 199 LEU C C 13 177.112 0.00 . 1 . . . . . 199 LEU C . 27417 1 1834 . 1 1 199 199 LEU CA C 13 55.992 0.04 . 1 . . . . . 199 LEU CA . 27417 1 1835 . 1 1 199 199 LEU CB C 13 42.944 0.07 . 1 . . . . . 199 LEU CB . 27417 1 1836 . 1 1 199 199 LEU CD2 C 13 21.828 0.12 . 2 . . . . . 199 LEU CD2 . 27417 1 1837 . 1 1 199 199 LEU N N 15 130.501 0.11 . 1 . . . . . 199 LEU N . 27417 1 1838 . 1 1 200 200 VAL H H 1 7.663 0.01 . 1 . . . . . 200 VAL H . 27417 1 1839 . 1 1 200 200 VAL HA H 1 4.216 0.02 . 1 . . . . . 200 VAL HA . 27417 1 1840 . 1 1 200 200 VAL HB H 1 1.803 0.01 . 1 . . . . . 200 VAL HB . 27417 1 1841 . 1 1 200 200 VAL HG11 H 1 0.792 0.01 . 2 . . . . . 200 VAL HG1* . 27417 1 1842 . 1 1 200 200 VAL HG12 H 1 0.792 0.01 . 2 . . . . . 200 VAL HG1* . 27417 1 1843 . 1 1 200 200 VAL HG13 H 1 0.792 0.01 . 2 . . . . . 200 VAL HG1* . 27417 1 1844 . 1 1 200 200 VAL HG21 H 1 0.721 0.01 . 2 . . . . . 200 VAL HG2* . 27417 1 1845 . 1 1 200 200 VAL HG22 H 1 0.721 0.01 . 2 . . . . . 200 VAL HG2* . 27417 1 1846 . 1 1 200 200 VAL HG23 H 1 0.721 0.01 . 2 . . . . . 200 VAL HG2* . 27417 1 1847 . 1 1 200 200 VAL C C 13 173.622 0.02 . 1 . . . . . 200 VAL C . 27417 1 1848 . 1 1 200 200 VAL CA C 13 61.280 0.09 . 1 . . . . . 200 VAL CA . 27417 1 1849 . 1 1 200 200 VAL CB C 13 36.724 0.06 . 1 . . . . . 200 VAL CB . 27417 1 1850 . 1 1 200 200 VAL CG1 C 13 21.274 0.03 . 2 . . . . . 200 VAL CG1 . 27417 1 1851 . 1 1 200 200 VAL N N 15 117.983 0.14 . 1 . . . . . 200 VAL N . 27417 1 1852 . 1 1 201 201 THR H H 1 7.949 0.02 . 1 . . . . . 201 THR H . 27417 1 1853 . 1 1 201 201 THR HA H 1 4.651 0.02 . 1 . . . . . 201 THR HA . 27417 1 1854 . 1 1 201 201 THR HB H 1 3.813 0.01 . 1 . . . . . 201 THR HB . 27417 1 1855 . 1 1 201 201 THR HG21 H 1 1.051 0.01 . 1 . . . . . 201 THR HG2* . 27417 1 1856 . 1 1 201 201 THR HG22 H 1 1.051 0.01 . 1 . . . . . 201 THR HG2* . 27417 1 1857 . 1 1 201 201 THR HG23 H 1 1.051 0.01 . 1 . . . . . 201 THR HG2* . 27417 1 1858 . 1 1 201 201 THR C C 13 173.593 0.02 . 1 . . . . . 201 THR C . 27417 1 1859 . 1 1 201 201 THR CA C 13 61.536 0.09 . 1 . . . . . 201 THR CA . 27417 1 1860 . 1 1 201 201 THR CB C 13 70.208 0.27 . 1 . . . . . 201 THR CB . 27417 1 1861 . 1 1 201 201 THR N N 15 120.032 0.18 . 1 . . . . . 201 THR N . 27417 1 1862 . 1 1 202 202 GLN H H 1 9.375 0.01 . 1 . . . . . 202 GLN H . 27417 1 1863 . 1 1 202 202 GLN HA H 1 4.888 0.00 . 1 . . . . . 202 GLN HA . 27417 1 1864 . 1 1 202 202 GLN HB2 H 1 1.632 0.00 . 2 . . . . . 202 GLN HB* . 27417 1 1865 . 1 1 202 202 GLN HB3 H 1 1.632 0.00 . 2 . . . . . 202 GLN HB* . 27417 1 1866 . 1 1 202 202 GLN HG2 H 1 2.071 0.00 . 2 . . . . . 202 GLN HG2 . 27417 1 1867 . 1 1 202 202 GLN HG3 H 1 2.005 0.03 . 2 . . . . . 202 GLN HG3 . 27417 1 1868 . 1 1 202 202 GLN HE21 H 1 7.200 0.00 . 2 . . . . . 202 GLN HE21 . 27417 1 1869 . 1 1 202 202 GLN HE22 H 1 6.805 0.01 . 2 . . . . . 202 GLN HE22 . 27417 1 1870 . 1 1 202 202 GLN CA C 13 51.842 0.06 . 1 . . . . . 202 GLN CA . 27417 1 1871 . 1 1 202 202 GLN CB C 13 31.734 0.11 . 1 . . . . . 202 GLN CB . 27417 1 1872 . 1 1 202 202 GLN CG C 13 33.434 0.11 . 1 . . . . . 202 GLN CG . 27417 1 1873 . 1 1 202 202 GLN CD C 13 179.727 0.05 . 1 . . . . . 202 GLN CD . 27417 1 1874 . 1 1 202 202 GLN N N 15 126.667 0.15 . 1 . . . . . 202 GLN N . 27417 1 1875 . 1 1 202 202 GLN NE2 N 15 110.865 0.22 . 1 . . . . . 202 GLN NE2 . 27417 1 1876 . 1 1 203 203 PRO HA H 1 4.609 0.01 . 1 . . . . . 203 PRO HA . 27417 1 1877 . 1 1 203 203 PRO HB2 H 1 2.188 0.01 . 2 . . . . . 203 PRO HB2 . 27417 1 1878 . 1 1 203 203 PRO HB3 H 1 1.884 0.00 . 2 . . . . . 203 PRO HB3 . 27417 1 1879 . 1 1 203 203 PRO C C 13 176.531 0.00 . 1 . . . . . 203 PRO C . 27417 1 1880 . 1 1 203 203 PRO CA C 13 62.439 0.12 . 1 . . . . . 203 PRO CA . 27417 1 1881 . 1 1 203 203 PRO CB C 13 32.017 0.17 . 1 . . . . . 203 PRO CB . 27417 1 1882 . 1 1 204 204 VAL H H 1 8.628 0.01 . 1 . . . . . 204 VAL H . 27417 1 1883 . 1 1 204 204 VAL C C 13 174.867 0.00 . 1 . . . . . 204 VAL C . 27417 1 1884 . 1 1 204 204 VAL CA C 13 61.215 0.12 . 1 . . . . . 204 VAL CA . 27417 1 1885 . 1 1 204 204 VAL N N 15 123.472 0.15 . 1 . . . . . 204 VAL N . 27417 1 1886 . 1 1 205 205 ASP H H 1 8.139 0.01 . 1 . . . . . 205 ASP H . 27417 1 1887 . 1 1 205 205 ASP HA H 1 5.222 0.01 . 1 . . . . . 205 ASP HA . 27417 1 1888 . 1 1 205 205 ASP HB2 H 1 2.415 0.02 . 2 . . . . . 205 ASP HB2 . 27417 1 1889 . 1 1 205 205 ASP HB3 H 1 2.211 0.02 . 2 . . . . . 205 ASP HB3 . 27417 1 1890 . 1 1 205 205 ASP C C 13 175.646 0.00 . 1 . . . . . 205 ASP C . 27417 1 1891 . 1 1 205 205 ASP CA C 13 52.269 0.11 . 1 . . . . . 205 ASP CA . 27417 1 1892 . 1 1 205 205 ASP CB C 13 41.242 0.16 . 1 . . . . . 205 ASP CB . 27417 1 1893 . 1 1 205 205 ASP N N 15 119.330 0.08 . 1 . . . . . 205 ASP N . 27417 1 1894 . 1 1 206 206 HIS H H 1 7.538 0.01 . 1 . . . . . 206 HIS H . 27417 1 1895 . 1 1 206 206 HIS HA H 1 4.272 0.01 . 1 . . . . . 206 HIS HA . 27417 1 1896 . 1 1 206 206 HIS HB2 H 1 1.998 0.01 . 2 . . . . . 206 HIS HB2 . 27417 1 1897 . 1 1 206 206 HIS HB3 H 1 1.587 0.01 . 2 . . . . . 206 HIS HB3 . 27417 1 1898 . 1 1 206 206 HIS C C 13 176.013 0.00 . 1 . . . . . 206 HIS C . 27417 1 1899 . 1 1 206 206 HIS CA C 13 59.221 0.00 . 1 . . . . . 206 HIS CA . 27417 1 1900 . 1 1 206 206 HIS CB C 13 38.188 0.09 . 1 . . . . . 206 HIS CB . 27417 1 1901 . 1 1 206 206 HIS N N 15 120.267 0.12 . 1 . . . . . 206 HIS N . 27417 1 1902 . 1 1 207 207 TRP HA H 1 4.205 0.00 . 1 . . . . . 207 TRP HA . 27417 1 1903 . 1 1 207 207 TRP C C 13 177.515 0.00 . 1 . . . . . 207 TRP C . 27417 1 1904 . 1 1 207 207 TRP CA C 13 58.123 0.04 . 1 . . . . . 207 TRP CA . 27417 1 1905 . 1 1 207 207 TRP CB C 13 29.227 0.29 . 1 . . . . . 207 TRP CB . 27417 1 1906 . 1 1 208 208 GLU H H 1 8.301 0.01 . 1 . . . . . 208 GLU H . 27417 1 1907 . 1 1 208 208 GLU C C 13 176.735 0.02 . 1 . . . . . 208 GLU C . 27417 1 1908 . 1 1 208 208 GLU CA C 13 57.149 0.06 . 1 . . . . . 208 GLU CA . 27417 1 1909 . 1 1 208 208 GLU CB C 13 28.821 0.00 . 1 . . . . . 208 GLU CB . 27417 1 1910 . 1 1 208 208 GLU N N 15 118.914 0.08 . 1 . . . . . 208 GLU N . 27417 1 1911 . 1 1 209 209 LEU H H 1 7.842 0.02 . 1 . . . . . 209 LEU H . 27417 1 1912 . 1 1 209 209 LEU C C 13 176.058 0.00 . 1 . . . . . 209 LEU C . 27417 1 1913 . 1 1 209 209 LEU CA C 13 56.127 0.05 . 1 . . . . . 209 LEU CA . 27417 1 1914 . 1 1 209 209 LEU N N 15 118.228 0.13 . 1 . . . . . 209 LEU N . 27417 1 1915 . 1 1 215 215 GLU HA H 1 4.434 0.00 . 1 . . . . . 215 GLU HA . 27417 1 1916 . 1 1 215 215 GLU C C 13 176.043 0.00 . 1 . . . . . 215 GLU C . 27417 1 1917 . 1 1 215 215 GLU CA C 13 56.114 0.04 . 1 . . . . . 215 GLU CA . 27417 1 1918 . 1 1 215 215 GLU CB C 13 29.899 0.00 . 1 . . . . . 215 GLU CB . 27417 1 1919 . 1 1 216 216 THR H H 1 7.719 0.03 . 1 . . . . . 216 THR H . 27417 1 1920 . 1 1 216 216 THR HA H 1 4.350 0.02 . 1 . . . . . 216 THR HA . 27417 1 1921 . 1 1 216 216 THR HB H 1 4.287 0.01 . 1 . . . . . 216 THR HB . 27417 1 1922 . 1 1 216 216 THR HG21 H 1 1.192 0.00 . 1 . . . . . 216 THR HG2* . 27417 1 1923 . 1 1 216 216 THR HG22 H 1 1.192 0.00 . 1 . . . . . 216 THR HG2* . 27417 1 1924 . 1 1 216 216 THR HG23 H 1 1.192 0.00 . 1 . . . . . 216 THR HG2* . 27417 1 1925 . 1 1 216 216 THR C C 13 175.167 0.00 . 1 . . . . . 216 THR C . 27417 1 1926 . 1 1 216 216 THR CA C 13 62.104 0.04 . 1 . . . . . 216 THR CA . 27417 1 1927 . 1 1 216 216 THR CB C 13 69.778 0.19 . 1 . . . . . 216 THR CB . 27417 1 1928 . 1 1 216 216 THR N N 15 111.459 0.15 . 1 . . . . . 216 THR N . 27417 1 1929 . 1 1 217 217 GLY H H 1 8.199 0.01 . 1 . . . . . 217 GLY H . 27417 1 1930 . 1 1 217 217 GLY HA2 H 1 4.028 0.01 . 2 . . . . . 217 GLY HA2 . 27417 1 1931 . 1 1 217 217 GLY HA3 H 1 3.956 0.01 . 2 . . . . . 217 GLY HA3 . 27417 1 1932 . 1 1 217 217 GLY C C 13 173.903 0.03 . 1 . . . . . 217 GLY C . 27417 1 1933 . 1 1 217 217 GLY CA C 13 45.389 0.05 . 1 . . . . . 217 GLY CA . 27417 1 1934 . 1 1 217 217 GLY N N 15 109.829 0.12 . 1 . . . . . 217 GLY N . 27417 1 1935 . 1 1 218 218 LEU H H 1 8.167 0.02 . 1 . . . . . 218 LEU H . 27417 1 1936 . 1 1 218 218 LEU HA H 1 4.371 0.01 . 1 . . . . . 218 LEU HA . 27417 1 1937 . 1 1 218 218 LEU HB2 H 1 1.654 0.00 . 2 . . . . . 218 LEU HB2 . 27417 1 1938 . 1 1 218 218 LEU HB3 H 1 1.598 0.00 . 2 . . . . . 218 LEU HB3 . 27417 1 1939 . 1 1 218 218 LEU C C 13 177.919 0.03 . 1 . . . . . 218 LEU C . 27417 1 1940 . 1 1 218 218 LEU CA C 13 55.078 0.04 . 1 . . . . . 218 LEU CA . 27417 1 1941 . 1 1 218 218 LEU CB C 13 42.424 0.06 . 1 . . . . . 218 LEU CB . 27417 1 1942 . 1 1 218 218 LEU N N 15 121.218 0.08 . 1 . . . . . 218 LEU N . 27417 1 1943 . 1 1 219 219 GLY H H 1 8.487 0.02 . 1 . . . . . 219 GLY H . 27417 1 1944 . 1 1 219 219 GLY HA2 H 1 4.051 0.01 . 2 . . . . . 219 GLY HA2 . 27417 1 1945 . 1 1 219 219 GLY HA3 H 1 3.951 0.02 . 2 . . . . . 219 GLY HA3 . 27417 1 1946 . 1 1 219 219 GLY C C 13 174.695 0.00 . 1 . . . . . 219 GLY C . 27417 1 1947 . 1 1 219 219 GLY CA C 13 45.488 0.06 . 1 . . . . . 219 GLY CA . 27417 1 1948 . 1 1 219 219 GLY N N 15 109.801 0.14 . 1 . . . . . 219 GLY N . 27417 1 1949 . 1 1 220 220 THR H H 1 8.089 0.02 . 1 . . . . . 220 THR H . 27417 1 1950 . 1 1 220 220 THR HA H 1 4.431 0.00 . 1 . . . . . 220 THR HA . 27417 1 1951 . 1 1 220 220 THR HB H 1 4.294 0.01 . 1 . . . . . 220 THR HB . 27417 1 1952 . 1 1 220 220 THR HG21 H 1 1.200 0.01 . 1 . . . . . 220 THR HG2* . 27417 1 1953 . 1 1 220 220 THR HG22 H 1 1.200 0.01 . 1 . . . . . 220 THR HG2* . 27417 1 1954 . 1 1 220 220 THR HG23 H 1 1.200 0.01 . 1 . . . . . 220 THR HG2* . 27417 1 1955 . 1 1 220 220 THR C C 13 174.783 0.05 . 1 . . . . . 220 THR C . 27417 1 1956 . 1 1 220 220 THR CA C 13 62.207 0.03 . 1 . . . . . 220 THR CA . 27417 1 1957 . 1 1 220 220 THR CB C 13 69.513 0.06 . 1 . . . . . 220 THR CB . 27417 1 1958 . 1 1 220 220 THR N N 15 113.396 0.10 . 1 . . . . . 220 THR N . 27417 1 1959 . 1 1 221 221 CYS H H 1 8.356 0.01 . 1 . . . . . 221 CYS H . 27417 1 1960 . 1 1 221 221 CYS HA H 1 4.500 0.01 . 1 . . . . . 221 CYS HA . 27417 1 1961 . 1 1 221 221 CYS HB2 H 1 2.981 0.00 . 2 . . . . . 221 CYS HB2 . 27417 1 1962 . 1 1 221 221 CYS HB3 H 1 2.926 0.00 . 2 . . . . . 221 CYS HB3 . 27417 1 1963 . 1 1 221 221 CYS C C 13 174.271 0.03 . 1 . . . . . 221 CYS C . 27417 1 1964 . 1 1 221 221 CYS CA C 13 58.442 0.12 . 1 . . . . . 221 CYS CA . 27417 1 1965 . 1 1 221 221 CYS CB C 13 27.790 0.09 . 1 . . . . . 221 CYS CB . 27417 1 1966 . 1 1 221 221 CYS N N 15 120.577 0.17 . 1 . . . . . 221 CYS N . 27417 1 1967 . 1 1 222 222 ALA H H 1 8.304 0.02 . 1 . . . . . 222 ALA H . 27417 1 1968 . 1 1 222 222 ALA HA H 1 4.338 0.00 . 1 . . . . . 222 ALA HA . 27417 1 1969 . 1 1 222 222 ALA HB1 H 1 1.413 0.01 . 1 . . . . . 222 ALA HB* . 27417 1 1970 . 1 1 222 222 ALA HB2 H 1 1.413 0.01 . 1 . . . . . 222 ALA HB* . 27417 1 1971 . 1 1 222 222 ALA HB3 H 1 1.413 0.01 . 1 . . . . . 222 ALA HB* . 27417 1 1972 . 1 1 222 222 ALA C C 13 177.759 0.01 . 1 . . . . . 222 ALA C . 27417 1 1973 . 1 1 222 222 ALA CA C 13 52.985 0.04 . 1 . . . . . 222 ALA CA . 27417 1 1974 . 1 1 222 222 ALA CB C 13 19.050 0.02 . 1 . . . . . 222 ALA CB . 27417 1 1975 . 1 1 222 222 ALA N N 15 125.702 0.11 . 1 . . . . . 222 ALA N . 27417 1 1976 . 1 1 223 223 ASN H H 1 8.532 0.01 . 1 . . . . . 223 ASN H . 27417 1 1977 . 1 1 223 223 ASN HA H 1 4.743 0.01 . 1 . . . . . 223 ASN HA . 27417 1 1978 . 1 1 223 223 ASN HB2 H 1 3.026 0.01 . 2 . . . . . 223 ASN HB2 . 27417 1 1979 . 1 1 223 223 ASN HB3 H 1 2.740 0.02 . 2 . . . . . 223 ASN HB3 . 27417 1 1980 . 1 1 223 223 ASN HD21 H 1 7.468 0.01 . 2 . . . . . 223 ASN HD21 . 27417 1 1981 . 1 1 223 223 ASN HD22 H 1 6.994 0.01 . 2 . . . . . 223 ASN HD22 . 27417 1 1982 . 1 1 223 223 ASN C C 13 175.067 0.02 . 1 . . . . . 223 ASN C . 27417 1 1983 . 1 1 223 223 ASN CA C 13 53.385 0.11 . 1 . . . . . 223 ASN CA . 27417 1 1984 . 1 1 223 223 ASN CB C 13 38.925 0.13 . 1 . . . . . 223 ASN CB . 27417 1 1985 . 1 1 223 223 ASN CG C 13 177.377 0.01 . 1 . . . . . 223 ASN CG . 27417 1 1986 . 1 1 223 223 ASN N N 15 118.550 0.13 . 1 . . . . . 223 ASN N . 27417 1 1987 . 1 1 223 223 ASN ND2 N 15 112.551 0.22 . 1 . . . . . 223 ASN ND2 . 27417 1 1988 . 1 1 224 224 ASP H H 1 8.338 0.01 . 1 . . . . . 224 ASP H . 27417 1 1989 . 1 1 224 224 ASP HA H 1 4.534 0.01 . 1 . . . . . 224 ASP HA . 27417 1 1990 . 1 1 224 224 ASP HB2 H 1 2.896 0.00 . 2 . . . . . 224 ASP HB* . 27417 1 1991 . 1 1 224 224 ASP HB3 H 1 2.896 0.00 . 2 . . . . . 224 ASP HB* . 27417 1 1992 . 1 1 224 224 ASP C C 13 175.815 0.00 . 1 . . . . . 224 ASP C . 27417 1 1993 . 1 1 224 224 ASP CA C 13 54.779 0.07 . 1 . . . . . 224 ASP CA . 27417 1 1994 . 1 1 224 224 ASP CB C 13 40.566 0.08 . 1 . . . . . 224 ASP CB . 27417 1 1995 . 1 1 224 224 ASP N N 15 117.513 0.12 . 1 . . . . . 224 ASP N . 27417 1 1996 . 1 1 225 225 GLY H H 1 8.324 0.01 . 1 . . . . . 225 GLY H . 27417 1 1997 . 1 1 225 225 GLY HA2 H 1 4.056 0.01 . 2 . . . . . 225 GLY HA2 . 27417 1 1998 . 1 1 225 225 GLY HA3 H 1 3.755 0.01 . 2 . . . . . 225 GLY HA3 . 27417 1 1999 . 1 1 225 225 GLY C C 13 173.964 0.00 . 1 . . . . . 225 GLY C . 27417 1 2000 . 1 1 225 225 GLY CA C 13 45.459 0.12 . 1 . . . . . 225 GLY CA . 27417 1 2001 . 1 1 225 225 GLY N N 15 105.667 0.11 . 1 . . . . . 225 GLY N . 27417 1 2002 . 1 1 226 226 PHE H H 1 8.106 0.01 . 1 . . . . . 226 PHE H . 27417 1 2003 . 1 1 226 226 PHE HA H 1 5.050 0.01 . 1 . . . . . 226 PHE HA . 27417 1 2004 . 1 1 226 226 PHE HB2 H 1 3.283 0.03 . 2 . . . . . 226 PHE HB2 . 27417 1 2005 . 1 1 226 226 PHE HB3 H 1 3.046 0.02 . 2 . . . . . 226 PHE HB3 . 27417 1 2006 . 1 1 226 226 PHE HD1 H 1 6.894 0.01 . 3 . . . . . 226 PHE HD* . 27417 1 2007 . 1 1 226 226 PHE HD2 H 1 6.894 0.01 . 3 . . . . . 226 PHE HD* . 27417 1 2008 . 1 1 226 226 PHE C C 13 177.502 0.01 . 1 . . . . . 226 PHE C . 27417 1 2009 . 1 1 226 226 PHE CA C 13 58.195 0.11 . 1 . . . . . 226 PHE CA . 27417 1 2010 . 1 1 226 226 PHE CB C 13 42.248 0.02 . 1 . . . . . 226 PHE CB . 27417 1 2011 . 1 1 226 226 PHE N N 15 119.047 0.17 . 1 . . . . . 226 PHE N . 27417 1 2012 . 1 1 227 227 ILE H H 1 8.967 0.02 . 1 . . . . . 227 ILE H . 27417 1 2013 . 1 1 227 227 ILE HA H 1 4.925 0.02 . 1 . . . . . 227 ILE HA . 27417 1 2014 . 1 1 227 227 ILE HB H 1 2.211 0.01 . 1 . . . . . 227 ILE HB . 27417 1 2015 . 1 1 227 227 ILE HG21 H 1 1.137 0.01 . 1 . . . . . 227 ILE HG2* . 27417 1 2016 . 1 1 227 227 ILE HG22 H 1 1.137 0.01 . 1 . . . . . 227 ILE HG2* . 27417 1 2017 . 1 1 227 227 ILE HG23 H 1 1.137 0.01 . 1 . . . . . 227 ILE HG2* . 27417 1 2018 . 1 1 227 227 ILE C C 13 174.519 0.00 . 1 . . . . . 227 ILE C . 27417 1 2019 . 1 1 227 227 ILE CA C 13 59.887 0.16 . 1 . . . . . 227 ILE CA . 27417 1 2020 . 1 1 227 227 ILE CB C 13 40.941 0.14 . 1 . . . . . 227 ILE CB . 27417 1 2021 . 1 1 227 227 ILE CG2 C 13 18.652 0.11 . 1 . . . . . 227 ILE CG2 . 27417 1 2022 . 1 1 227 227 ILE N N 15 114.905 0.22 . 1 . . . . . 227 ILE N . 27417 1 2023 . 1 1 228 228 SER H H 1 8.146 0.01 . 1 . . . . . 228 SER H . 27417 1 2024 . 1 1 228 228 SER HA H 1 5.116 0.01 . 1 . . . . . 228 SER HA . 27417 1 2025 . 1 1 228 228 SER HB2 H 1 4.058 0.01 . 2 . . . . . 228 SER HB2 . 27417 1 2026 . 1 1 228 228 SER HB3 H 1 3.924 0.01 . 2 . . . . . 228 SER HB3 . 27417 1 2027 . 1 1 228 228 SER C C 13 173.398 0.00 . 1 . . . . . 228 SER C . 27417 1 2028 . 1 1 228 228 SER CA C 13 56.835 0.08 . 1 . . . . . 228 SER CA . 27417 1 2029 . 1 1 228 228 SER CB C 13 66.384 0.15 . 1 . . . . . 228 SER CB . 27417 1 2030 . 1 1 228 228 SER N N 15 115.702 0.27 . 1 . . . . . 228 SER N . 27417 1 2031 . 1 1 229 229 GLY H H 1 8.520 0.04 . 1 . . . . . 229 GLY H . 27417 1 2032 . 1 1 229 229 GLY C C 13 171.972 0.00 . 1 . . . . . 229 GLY C . 27417 1 2033 . 1 1 229 229 GLY CA C 13 45.051 0.09 . 1 . . . . . 229 GLY CA . 27417 1 2034 . 1 1 229 229 GLY N N 15 105.598 0.07 . 1 . . . . . 229 GLY N . 27417 1 2035 . 1 1 230 230 ILE H H 1 8.376 0.07 . 1 . . . . . 230 ILE H . 27417 1 2036 . 1 1 230 230 ILE HA H 1 4.602 0.02 . 1 . . . . . 230 ILE HA . 27417 1 2037 . 1 1 230 230 ILE HB H 1 1.189 0.02 . 1 . . . . . 230 ILE HB . 27417 1 2038 . 1 1 230 230 ILE HG12 H 1 0.817 0.01 . 2 . . . . . 230 ILE HG12 . 27417 1 2039 . 1 1 230 230 ILE HG13 H 1 0.105 0.02 . 2 . . . . . 230 ILE HG13 . 27417 1 2040 . 1 1 230 230 ILE HG21 H 1 0.313 0.06 . 1 . . . . . 230 ILE HG2* . 27417 1 2041 . 1 1 230 230 ILE HG22 H 1 0.313 0.06 . 1 . . . . . 230 ILE HG2* . 27417 1 2042 . 1 1 230 230 ILE HG23 H 1 0.313 0.06 . 1 . . . . . 230 ILE HG2* . 27417 1 2043 . 1 1 230 230 ILE HD11 H 1 0.553 0.01 . 1 . . . . . 230 ILE HD1* . 27417 1 2044 . 1 1 230 230 ILE HD12 H 1 0.553 0.01 . 1 . . . . . 230 ILE HD1* . 27417 1 2045 . 1 1 230 230 ILE HD13 H 1 0.553 0.01 . 1 . . . . . 230 ILE HD1* . 27417 1 2046 . 1 1 230 230 ILE C C 13 171.140 0.00 . 1 . . . . . 230 ILE C . 27417 1 2047 . 1 1 230 230 ILE CA C 13 60.600 0.06 . 1 . . . . . 230 ILE CA . 27417 1 2048 . 1 1 230 230 ILE CB C 13 42.582 0.08 . 1 . . . . . 230 ILE CB . 27417 1 2049 . 1 1 230 230 ILE CG1 C 13 27.983 0.15 . 1 . . . . . 230 ILE CG1 . 27417 1 2050 . 1 1 230 230 ILE CG2 C 13 15.761 0.16 . 1 . . . . . 230 ILE CG2 . 27417 1 2051 . 1 1 230 230 ILE CD1 C 13 14.679 0.11 . 1 . . . . . 230 ILE CD1 . 27417 1 2052 . 1 1 230 230 ILE N N 15 122.731 0.04 . 1 . . . . . 230 ILE N . 27417 1 2053 . 1 1 231 231 ILE H H 1 7.676 0.05 . 1 . . . . . 231 ILE H . 27417 1 2054 . 1 1 231 231 ILE HA H 1 4.541 0.01 . 1 . . . . . 231 ILE HA . 27417 1 2055 . 1 1 231 231 ILE HB H 1 1.584 0.01 . 1 . . . . . 231 ILE HB . 27417 1 2056 . 1 1 231 231 ILE HG12 H 1 1.753 0.01 . 2 . . . . . 231 ILE HG12 . 27417 1 2057 . 1 1 231 231 ILE HG13 H 1 0.904 0.00 . 2 . . . . . 231 ILE HG13 . 27417 1 2058 . 1 1 231 231 ILE HG21 H 1 0.842 0.01 . 1 . . . . . 231 ILE HG2* . 27417 1 2059 . 1 1 231 231 ILE HG22 H 1 0.842 0.01 . 1 . . . . . 231 ILE HG2* . 27417 1 2060 . 1 1 231 231 ILE HG23 H 1 0.842 0.01 . 1 . . . . . 231 ILE HG2* . 27417 1 2061 . 1 1 231 231 ILE HD11 H 1 0.745 0.01 . 1 . . . . . 231 ILE HD1* . 27417 1 2062 . 1 1 231 231 ILE HD12 H 1 0.745 0.01 . 1 . . . . . 231 ILE HD1* . 27417 1 2063 . 1 1 231 231 ILE HD13 H 1 0.745 0.01 . 1 . . . . . 231 ILE HD1* . 27417 1 2064 . 1 1 231 231 ILE C C 13 173.369 0.00 . 1 . . . . . 231 ILE C . 27417 1 2065 . 1 1 231 231 ILE CA C 13 59.788 0.20 . 1 . . . . . 231 ILE CA . 27417 1 2066 . 1 1 231 231 ILE CB C 13 41.053 0.00 . 1 . . . . . 231 ILE CB . 27417 1 2067 . 1 1 231 231 ILE CG2 C 13 18.482 0.12 . 1 . . . . . 231 ILE CG2 . 27417 1 2068 . 1 1 231 231 ILE CD1 C 13 14.720 0.12 . 1 . . . . . 231 ILE CD1 . 27417 1 2069 . 1 1 231 231 ILE N N 15 124.635 0.18 . 1 . . . . . 231 ILE N . 27417 1 2070 . 1 1 232 232 TYR H H 1 9.407 0.01 . 1 . . . . . 232 TYR H . 27417 1 2071 . 1 1 232 232 TYR HA H 1 5.086 0.01 . 1 . . . . . 232 TYR HA . 27417 1 2072 . 1 1 232 232 TYR HB2 H 1 3.015 0.01 . 2 . . . . . 232 TYR HB2 . 27417 1 2073 . 1 1 232 232 TYR HB3 H 1 2.897 0.01 . 2 . . . . . 232 TYR HB3 . 27417 1 2074 . 1 1 232 232 TYR HD1 H 1 6.877 0.01 . 3 . . . . . 232 TYR HD* . 27417 1 2075 . 1 1 232 232 TYR HD2 H 1 6.877 0.01 . 3 . . . . . 232 TYR HD* . 27417 1 2076 . 1 1 232 232 TYR HE1 H 1 6.517 0.01 . 3 . . . . . 232 TYR HE* . 27417 1 2077 . 1 1 232 232 TYR HE2 H 1 6.517 0.01 . 3 . . . . . 232 TYR HE* . 27417 1 2078 . 1 1 232 232 TYR C C 13 174.916 0.00 . 1 . . . . . 232 TYR C . 27417 1 2079 . 1 1 232 232 TYR CA C 13 55.669 0.13 . 1 . . . . . 232 TYR CA . 27417 1 2080 . 1 1 232 232 TYR CB C 13 41.861 0.13 . 1 . . . . . 232 TYR CB . 27417 1 2081 . 1 1 232 232 TYR CD1 C 13 130.126 0.11 . 3 . . . . . 232 TYR CD* . 27417 1 2082 . 1 1 232 232 TYR CD2 C 13 130.126 0.11 . 3 . . . . . 232 TYR CD* . 27417 1 2083 . 1 1 232 232 TYR N N 15 124.163 0.18 . 1 . . . . . 232 TYR N . 27417 1 2084 . 1 1 233 233 LEU H H 1 8.784 0.01 . 1 . . . . . 233 LEU H . 27417 1 2085 . 1 1 233 233 LEU HA H 1 5.477 0.02 . 1 . . . . . 233 LEU HA . 27417 1 2086 . 1 1 233 233 LEU HB2 H 1 1.765 0.01 . 2 . . . . . 233 LEU HB2 . 27417 1 2087 . 1 1 233 233 LEU HB3 H 1 1.206 0.02 . 2 . . . . . 233 LEU HB3 . 27417 1 2088 . 1 1 233 233 LEU HG H 1 0.824 0.01 . 1 . . . . . 233 LEU HG . 27417 1 2089 . 1 1 233 233 LEU HD11 H 1 0.954 0.01 . 2 . . . . . 233 LEU HD1* . 27417 1 2090 . 1 1 233 233 LEU HD12 H 1 0.954 0.01 . 2 . . . . . 233 LEU HD1* . 27417 1 2091 . 1 1 233 233 LEU HD13 H 1 0.954 0.01 . 2 . . . . . 233 LEU HD1* . 27417 1 2092 . 1 1 233 233 LEU HD21 H 1 0.831 0.00 . 2 . . . . . 233 LEU HD2* . 27417 1 2093 . 1 1 233 233 LEU HD22 H 1 0.831 0.00 . 2 . . . . . 233 LEU HD2* . 27417 1 2094 . 1 1 233 233 LEU HD23 H 1 0.831 0.00 . 2 . . . . . 233 LEU HD2* . 27417 1 2095 . 1 1 233 233 LEU C C 13 174.107 0.03 . 1 . . . . . 233 LEU C . 27417 1 2096 . 1 1 233 233 LEU CA C 13 53.877 0.15 . 1 . . . . . 233 LEU CA . 27417 1 2097 . 1 1 233 233 LEU CB C 13 46.179 0.14 . 1 . . . . . 233 LEU CB . 27417 1 2098 . 1 1 233 233 LEU CG C 13 27.167 0.08 . 1 . . . . . 233 LEU CG . 27417 1 2099 . 1 1 233 233 LEU CD1 C 13 23.989 0.29 . 2 . . . . . 233 LEU CD1 . 27417 1 2100 . 1 1 233 233 LEU N N 15 122.954 0.15 . 1 . . . . . 233 LEU N . 27417 1 2101 . 1 1 234 234 TYR H H 1 9.179 0.01 . 1 . . . . . 234 TYR H . 27417 1 2102 . 1 1 234 234 TYR HA H 1 4.767 0.00 . 1 . . . . . 234 TYR HA . 27417 1 2103 . 1 1 234 234 TYR C C 13 173.790 0.01 . 1 . . . . . 234 TYR C . 27417 1 2104 . 1 1 234 234 TYR CA C 13 56.298 0.05 . 1 . . . . . 234 TYR CA . 27417 1 2105 . 1 1 234 234 TYR CB C 13 44.446 0.00 . 1 . . . . . 234 TYR CB . 27417 1 2106 . 1 1 234 234 TYR N N 15 127.574 0.08 . 1 . . . . . 234 TYR N . 27417 1 2107 . 1 1 235 235 ARG H H 1 8.977 0.01 . 1 . . . . . 235 ARG H . 27417 1 2108 . 1 1 235 235 ARG HA H 1 5.437 0.02 . 1 . . . . . 235 ARG HA . 27417 1 2109 . 1 1 235 235 ARG C C 13 176.828 0.01 . 1 . . . . . 235 ARG C . 27417 1 2110 . 1 1 235 235 ARG CA C 13 53.592 0.04 . 1 . . . . . 235 ARG CA . 27417 1 2111 . 1 1 235 235 ARG CB C 13 33.994 0.00 . 1 . . . . . 235 ARG CB . 27417 1 2112 . 1 1 235 235 ARG N N 15 120.003 0.12 . 1 . . . . . 235 ARG N . 27417 1 2113 . 1 1 236 236 LYS H H 1 9.323 0.01 . 1 . . . . . 236 LYS H . 27417 1 2114 . 1 1 236 236 LYS HA H 1 4.404 0.01 . 1 . . . . . 236 LYS HA . 27417 1 2115 . 1 1 236 236 LYS C C 13 176.102 0.00 . 1 . . . . . 236 LYS C . 27417 1 2116 . 1 1 236 236 LYS CA C 13 57.827 0.04 . 1 . . . . . 236 LYS CA . 27417 1 2117 . 1 1 236 236 LYS N N 15 130.927 0.14 . 1 . . . . . 236 LYS N . 27417 1 2118 . 1 1 237 237 GLN H H 1 8.016 0.02 . 1 . . . . . 237 GLN H . 27417 1 2119 . 1 1 237 237 GLN HA H 1 4.326 0.01 . 1 . . . . . 237 GLN HA . 27417 1 2120 . 1 1 237 237 GLN HB2 H 1 2.111 0.02 . 2 . . . . . 237 GLN HB2 . 27417 1 2121 . 1 1 237 237 GLN HB3 H 1 1.949 0.01 . 2 . . . . . 237 GLN HB3 . 27417 1 2122 . 1 1 237 237 GLN HG2 H 1 2.480 0.01 . 2 . . . . . 237 GLN HG2 . 27417 1 2123 . 1 1 237 237 GLN HG3 H 1 2.295 0.00 . 2 . . . . . 237 GLN HG3 . 27417 1 2124 . 1 1 237 237 GLN HE21 H 1 7.270 0.01 . 2 . . . . . 237 GLN HE21 . 27417 1 2125 . 1 1 237 237 GLN HE22 H 1 6.760 0.01 . 2 . . . . . 237 GLN HE22 . 27417 1 2126 . 1 1 237 237 GLN C C 13 176.074 0.03 . 1 . . . . . 237 GLN C . 27417 1 2127 . 1 1 237 237 GLN CA C 13 56.934 0.10 . 1 . . . . . 237 GLN CA . 27417 1 2128 . 1 1 237 237 GLN CB C 13 29.292 0.07 . 1 . . . . . 237 GLN CB . 27417 1 2129 . 1 1 237 237 GLN CG C 13 32.941 0.11 . 1 . . . . . 237 GLN CG . 27417 1 2130 . 1 1 237 237 GLN CD C 13 179.533 0.02 . 1 . . . . . 237 GLN CD . 27417 1 2131 . 1 1 237 237 GLN N N 15 127.851 0.13 . 1 . . . . . 237 GLN N . 27417 1 2132 . 1 1 237 237 GLN NE2 N 15 110.637 0.21 . 1 . . . . . 237 GLN NE2 . 27417 1 2133 . 1 1 238 238 GLU H H 1 8.646 0.01 . 1 . . . . . 238 GLU H . 27417 1 2134 . 1 1 238 238 GLU HA H 1 4.246 0.00 . 1 . . . . . 238 GLU HA . 27417 1 2135 . 1 1 238 238 GLU HB2 H 1 2.067 0.01 . 2 . . . . . 238 GLU HB2 . 27417 1 2136 . 1 1 238 238 GLU HB3 H 1 1.917 0.01 . 2 . . . . . 238 GLU HB3 . 27417 1 2137 . 1 1 238 238 GLU C C 13 176.071 0.00 . 1 . . . . . 238 GLU C . 27417 1 2138 . 1 1 238 238 GLU CA C 13 56.860 0.04 . 1 . . . . . 238 GLU CA . 27417 1 2139 . 1 1 238 238 GLU CB C 13 30.816 0.03 . 1 . . . . . 238 GLU CB . 27417 1 2140 . 1 1 238 238 GLU N N 15 123.300 0.13 . 1 . . . . . 238 GLU N . 27417 1 2141 . 1 1 239 239 THR H H 1 8.228 0.03 . 1 . . . . . 239 THR H . 27417 1 2142 . 1 1 239 239 THR HA H 1 4.350 0.01 . 1 . . . . . 239 THR HA . 27417 1 2143 . 1 1 239 239 THR HB H 1 4.154 0.01 . 1 . . . . . 239 THR HB . 27417 1 2144 . 1 1 239 239 THR HG21 H 1 1.178 0.01 . 1 . . . . . 239 THR HG2* . 27417 1 2145 . 1 1 239 239 THR HG22 H 1 1.178 0.01 . 1 . . . . . 239 THR HG2* . 27417 1 2146 . 1 1 239 239 THR HG23 H 1 1.178 0.01 . 1 . . . . . 239 THR HG2* . 27417 1 2147 . 1 1 239 239 THR C C 13 173.537 0.01 . 1 . . . . . 239 THR C . 27417 1 2148 . 1 1 239 239 THR CA C 13 61.827 0.08 . 1 . . . . . 239 THR CA . 27417 1 2149 . 1 1 239 239 THR CB C 13 69.668 0.14 . 1 . . . . . 239 THR CB . 27417 1 2150 . 1 1 239 239 THR CG2 C 13 21.531 0.03 . 1 . . . . . 239 THR CG2 . 27417 1 2151 . 1 1 239 239 THR N N 15 116.204 0.18 . 1 . . . . . 239 THR N . 27417 1 2152 . 1 1 240 240 VAL H H 1 7.773 0.02 . 1 . . . . . 240 VAL H . 27417 1 2153 . 1 1 240 240 VAL HA H 1 4.031 0.01 . 1 . . . . . 240 VAL HA . 27417 1 2154 . 1 1 240 240 VAL HB H 1 2.048 0.01 . 1 . . . . . 240 VAL HB . 27417 1 2155 . 1 1 240 240 VAL HG11 H 1 0.866 0.00 . 2 . . . . . 240 VAL HG1* . 27417 1 2156 . 1 1 240 240 VAL HG12 H 1 0.866 0.00 . 2 . . . . . 240 VAL HG1* . 27417 1 2157 . 1 1 240 240 VAL HG13 H 1 0.866 0.00 . 2 . . . . . 240 VAL HG1* . 27417 1 2158 . 1 1 240 240 VAL HG21 H 1 0.854 0.00 . 2 . . . . . 240 VAL HG2* . 27417 1 2159 . 1 1 240 240 VAL HG22 H 1 0.854 0.00 . 2 . . . . . 240 VAL HG2* . 27417 1 2160 . 1 1 240 240 VAL HG23 H 1 0.854 0.00 . 2 . . . . . 240 VAL HG2* . 27417 1 2161 . 1 1 240 240 VAL C C 13 180.907 0.00 . 1 . . . . . 240 VAL C . 27417 1 2162 . 1 1 240 240 VAL CA C 13 63.509 0.04 . 1 . . . . . 240 VAL CA . 27417 1 2163 . 1 1 240 240 VAL CB C 13 33.096 0.01 . 1 . . . . . 240 VAL CB . 27417 1 2164 . 1 1 240 240 VAL CG1 C 13 21.375 0.03 . 2 . . . . . 240 VAL CG1 . 27417 1 2165 . 1 1 240 240 VAL CG2 C 13 19.954 0.02 . 2 . . . . . 240 VAL CG2 . 27417 1 2166 . 1 1 240 240 VAL N N 15 126.885 0.10 . 1 . . . . . 240 VAL N . 27417 1 stop_ save_