data_17398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17398 _Entry.Title ; A protein from yeast ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-07 _Entry.Accession_date 2011-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu Qiu . . . 17398 2 Jiahai Zhang . . . 17398 3 Wen Zhang . . . 17398 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17398 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Histone binding' . 17398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 17398 '15N chemical shifts' 105 17398 '1H chemical shifts' 661 17398 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 . . 2012-08-21 2011-01-07 update BMRB 'update entry citation' 17398 1 . . 2011-12-20 2011-01-07 original author 'original release' 17398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L89 'BMRB Entry Tracking System' 17398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22150589 _Citation.Full_citation . _Citation.Title 'Solution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 442 _Citation.Journal_issue 3 _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 527 _Citation.Page_last 538 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yu Qiu . . . 17398 1 2 Wen Zhang . . . 17398 1 3 Chen Zhao . . . 17398 1 4 Yan Wang . . . 17398 1 5 Weiwei Wang . . . 17398 1 6 Jiahai Zhang . . . 17398 1 7 Zhiyong Zhang . . . 17398 1 8 Guohong Li . . . 17398 1 9 Yunyu Shi . . . 17398 1 10 Xiaoming Tu . . . 17398 1 11 Jihui Wu . . . 17398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17398 _Assembly.ID 1 _Assembly.Name 'A protein from fission yeast' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A protein from fission yeast' 1 $entity A . yes native no no . . . 17398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'A protein from fission yeast' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SADDRLNFGDRILVKAPGYP WWPALLLRRKETKDSLNTNS SFNVLYKVLFFPDFNFAWVK RNSVKPLLDSEIAKFLGSSK RKSKELIEAYEASKTPPDLK EESSTDLESADDRLNFGDRI LVKAPGYPWWPALLLRRKET KDSLNTNSSFNVLYKVLFFP DFNFAWVKRNSVKPLLDSEI AKFLGSSKRKSKELIEAYEA SKTPPDLKEESSTDLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24872.488 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2L89 . "Solution Structure Of Pdp1 Pwwp Domain Reveals Its Unique Binding Sites For Methylated H4k20 And Dna" . . . . . 50.00 108 100.00 100.00 2.70e-67 . . . . 17398 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 45 SER . 17398 1 2 46 ALA . 17398 1 3 47 ASP . 17398 1 4 48 ASP . 17398 1 5 49 ARG . 17398 1 6 50 LEU . 17398 1 7 51 ASN . 17398 1 8 52 PHE . 17398 1 9 53 GLY . 17398 1 10 54 ASP . 17398 1 11 55 ARG . 17398 1 12 56 ILE . 17398 1 13 57 LEU . 17398 1 14 58 VAL . 17398 1 15 59 LYS . 17398 1 16 60 ALA . 17398 1 17 61 PRO . 17398 1 18 62 GLY . 17398 1 19 63 TYR . 17398 1 20 64 PRO . 17398 1 21 65 TRP . 17398 1 22 66 TRP . 17398 1 23 67 PRO . 17398 1 24 68 ALA . 17398 1 25 69 LEU . 17398 1 26 70 LEU . 17398 1 27 71 LEU . 17398 1 28 72 ARG . 17398 1 29 73 ARG . 17398 1 30 74 LYS . 17398 1 31 75 GLU . 17398 1 32 76 THR . 17398 1 33 77 LYS . 17398 1 34 78 ASP . 17398 1 35 79 SER . 17398 1 36 80 LEU . 17398 1 37 81 ASN . 17398 1 38 82 THR . 17398 1 39 83 ASN . 17398 1 40 84 SER . 17398 1 41 85 SER . 17398 1 42 86 PHE . 17398 1 43 87 ASN . 17398 1 44 88 VAL . 17398 1 45 89 LEU . 17398 1 46 90 TYR . 17398 1 47 91 LYS . 17398 1 48 92 VAL . 17398 1 49 93 LEU . 17398 1 50 94 PHE . 17398 1 51 95 PHE . 17398 1 52 96 PRO . 17398 1 53 97 ASP . 17398 1 54 98 PHE . 17398 1 55 99 ASN . 17398 1 56 100 PHE . 17398 1 57 101 ALA . 17398 1 58 102 TRP . 17398 1 59 103 VAL . 17398 1 60 104 LYS . 17398 1 61 105 ARG . 17398 1 62 106 ASN . 17398 1 63 107 SER . 17398 1 64 108 VAL . 17398 1 65 109 LYS . 17398 1 66 110 PRO . 17398 1 67 111 LEU . 17398 1 68 112 LEU . 17398 1 69 113 ASP . 17398 1 70 114 SER . 17398 1 71 115 GLU . 17398 1 72 116 ILE . 17398 1 73 117 ALA . 17398 1 74 118 LYS . 17398 1 75 119 PHE . 17398 1 76 120 LEU . 17398 1 77 121 GLY . 17398 1 78 122 SER . 17398 1 79 123 SER . 17398 1 80 124 LYS . 17398 1 81 125 ARG . 17398 1 82 126 LYS . 17398 1 83 127 SER . 17398 1 84 128 LYS . 17398 1 85 129 GLU . 17398 1 86 130 LEU . 17398 1 87 131 ILE . 17398 1 88 132 GLU . 17398 1 89 133 ALA . 17398 1 90 134 TYR . 17398 1 91 135 GLU . 17398 1 92 136 ALA . 17398 1 93 137 SER . 17398 1 94 138 LYS . 17398 1 95 139 THR . 17398 1 96 140 PRO . 17398 1 97 141 PRO . 17398 1 98 142 ASP . 17398 1 99 143 LEU . 17398 1 100 144 LYS . 17398 1 101 145 GLU . 17398 1 102 146 GLU . 17398 1 103 147 SER . 17398 1 104 148 SER . 17398 1 105 149 THR . 17398 1 106 150 ASP . 17398 1 107 151 LEU . 17398 1 108 152 GLU . 17398 1 109 153 SER . 17398 1 110 154 ALA . 17398 1 111 155 ASP . 17398 1 112 156 ASP . 17398 1 113 157 ARG . 17398 1 114 158 LEU . 17398 1 115 159 ASN . 17398 1 116 160 PHE . 17398 1 117 161 GLY . 17398 1 118 162 ASP . 17398 1 119 163 ARG . 17398 1 120 164 ILE . 17398 1 121 165 LEU . 17398 1 122 166 VAL . 17398 1 123 167 LYS . 17398 1 124 168 ALA . 17398 1 125 169 PRO . 17398 1 126 170 GLY . 17398 1 127 171 TYR . 17398 1 128 172 PRO . 17398 1 129 173 TRP . 17398 1 130 174 TRP . 17398 1 131 175 PRO . 17398 1 132 176 ALA . 17398 1 133 177 LEU . 17398 1 134 178 LEU . 17398 1 135 179 LEU . 17398 1 136 180 ARG . 17398 1 137 181 ARG . 17398 1 138 182 LYS . 17398 1 139 183 GLU . 17398 1 140 184 THR . 17398 1 141 185 LYS . 17398 1 142 186 ASP . 17398 1 143 187 SER . 17398 1 144 188 LEU . 17398 1 145 189 ASN . 17398 1 146 190 THR . 17398 1 147 191 ASN . 17398 1 148 192 SER . 17398 1 149 193 SER . 17398 1 150 194 PHE . 17398 1 151 195 ASN . 17398 1 152 196 VAL . 17398 1 153 197 LEU . 17398 1 154 198 TYR . 17398 1 155 199 LYS . 17398 1 156 200 VAL . 17398 1 157 201 LEU . 17398 1 158 202 PHE . 17398 1 159 203 PHE . 17398 1 160 204 PRO . 17398 1 161 205 ASP . 17398 1 162 206 PHE . 17398 1 163 207 ASN . 17398 1 164 208 PHE . 17398 1 165 209 ALA . 17398 1 166 210 TRP . 17398 1 167 211 VAL . 17398 1 168 212 LYS . 17398 1 169 213 ARG . 17398 1 170 214 ASN . 17398 1 171 215 SER . 17398 1 172 216 VAL . 17398 1 173 217 LYS . 17398 1 174 218 PRO . 17398 1 175 219 LEU . 17398 1 176 220 LEU . 17398 1 177 221 ASP . 17398 1 178 222 SER . 17398 1 179 223 GLU . 17398 1 180 224 ILE . 17398 1 181 225 ALA . 17398 1 182 226 LYS . 17398 1 183 227 PHE . 17398 1 184 228 LEU . 17398 1 185 229 GLY . 17398 1 186 230 SER . 17398 1 187 231 SER . 17398 1 188 232 LYS . 17398 1 189 233 ARG . 17398 1 190 234 LYS . 17398 1 191 235 SER . 17398 1 192 236 LYS . 17398 1 193 237 GLU . 17398 1 194 238 LEU . 17398 1 195 239 ILE . 17398 1 196 240 GLU . 17398 1 197 241 ALA . 17398 1 198 242 TYR . 17398 1 199 243 GLU . 17398 1 200 244 ALA . 17398 1 201 245 SER . 17398 1 202 246 LYS . 17398 1 203 247 THR . 17398 1 204 248 PRO . 17398 1 205 249 PRO . 17398 1 206 250 ASP . 17398 1 207 251 LEU . 17398 1 208 252 LYS . 17398 1 209 253 GLU . 17398 1 210 254 GLU . 17398 1 211 255 SER . 17398 1 212 256 SER . 17398 1 213 257 THR . 17398 1 214 258 ASP . 17398 1 215 259 LEU . 17398 1 216 260 GLU . 17398 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 . SER 1 1 17398 1 . ALA 2 2 17398 1 . ASP 3 3 17398 1 . ASP 4 4 17398 1 . ARG 5 5 17398 1 . LEU 6 6 17398 1 . ASN 7 7 17398 1 . PHE 8 8 17398 1 . GLY 9 9 17398 1 . ASP 10 10 17398 1 . ARG 11 11 17398 1 . ILE 12 12 17398 1 . LEU 13 13 17398 1 . VAL 14 14 17398 1 . LYS 15 15 17398 1 . ALA 16 16 17398 1 . PRO 17 17 17398 1 . GLY 18 18 17398 1 . TYR 19 19 17398 1 . PRO 20 20 17398 1 . TRP 21 21 17398 1 . TRP 22 22 17398 1 . PRO 23 23 17398 1 . ALA 24 24 17398 1 . LEU 25 25 17398 1 . LEU 26 26 17398 1 . LEU 27 27 17398 1 . ARG 28 28 17398 1 . ARG 29 29 17398 1 . LYS 30 30 17398 1 . GLU 31 31 17398 1 . THR 32 32 17398 1 . LYS 33 33 17398 1 . ASP 34 34 17398 1 . SER 35 35 17398 1 . LEU 36 36 17398 1 . ASN 37 37 17398 1 . THR 38 38 17398 1 . ASN 39 39 17398 1 . SER 40 40 17398 1 . SER 41 41 17398 1 . PHE 42 42 17398 1 . ASN 43 43 17398 1 . VAL 44 44 17398 1 . LEU 45 45 17398 1 . TYR 46 46 17398 1 . LYS 47 47 17398 1 . VAL 48 48 17398 1 . LEU 49 49 17398 1 . PHE 50 50 17398 1 . PHE 51 51 17398 1 . PRO 52 52 17398 1 . ASP 53 53 17398 1 . PHE 54 54 17398 1 . ASN 55 55 17398 1 . PHE 56 56 17398 1 . ALA 57 57 17398 1 . TRP 58 58 17398 1 . VAL 59 59 17398 1 . LYS 60 60 17398 1 . ARG 61 61 17398 1 . ASN 62 62 17398 1 . SER 63 63 17398 1 . VAL 64 64 17398 1 . LYS 65 65 17398 1 . PRO 66 66 17398 1 . LEU 67 67 17398 1 . LEU 68 68 17398 1 . ASP 69 69 17398 1 . SER 70 70 17398 1 . GLU 71 71 17398 1 . ILE 72 72 17398 1 . ALA 73 73 17398 1 . LYS 74 74 17398 1 . PHE 75 75 17398 1 . LEU 76 76 17398 1 . GLY 77 77 17398 1 . SER 78 78 17398 1 . SER 79 79 17398 1 . LYS 80 80 17398 1 . ARG 81 81 17398 1 . LYS 82 82 17398 1 . SER 83 83 17398 1 . LYS 84 84 17398 1 . GLU 85 85 17398 1 . LEU 86 86 17398 1 . ILE 87 87 17398 1 . GLU 88 88 17398 1 . ALA 89 89 17398 1 . TYR 90 90 17398 1 . GLU 91 91 17398 1 . ALA 92 92 17398 1 . SER 93 93 17398 1 . LYS 94 94 17398 1 . THR 95 95 17398 1 . PRO 96 96 17398 1 . PRO 97 97 17398 1 . ASP 98 98 17398 1 . LEU 99 99 17398 1 . LYS 100 100 17398 1 . GLU 101 101 17398 1 . GLU 102 102 17398 1 . SER 103 103 17398 1 . SER 104 104 17398 1 . THR 105 105 17398 1 . ASP 106 106 17398 1 . LEU 107 107 17398 1 . GLU 108 108 17398 1 . SER 109 109 17398 1 . ALA 110 110 17398 1 . ASP 111 111 17398 1 . ASP 112 112 17398 1 . ARG 113 113 17398 1 . LEU 114 114 17398 1 . ASN 115 115 17398 1 . PHE 116 116 17398 1 . GLY 117 117 17398 1 . ASP 118 118 17398 1 . ARG 119 119 17398 1 . ILE 120 120 17398 1 . LEU 121 121 17398 1 . VAL 122 122 17398 1 . LYS 123 123 17398 1 . ALA 124 124 17398 1 . PRO 125 125 17398 1 . GLY 126 126 17398 1 . TYR 127 127 17398 1 . PRO 128 128 17398 1 . TRP 129 129 17398 1 . TRP 130 130 17398 1 . PRO 131 131 17398 1 . ALA 132 132 17398 1 . LEU 133 133 17398 1 . LEU 134 134 17398 1 . LEU 135 135 17398 1 . ARG 136 136 17398 1 . ARG 137 137 17398 1 . LYS 138 138 17398 1 . GLU 139 139 17398 1 . THR 140 140 17398 1 . LYS 141 141 17398 1 . ASP 142 142 17398 1 . SER 143 143 17398 1 . LEU 144 144 17398 1 . ASN 145 145 17398 1 . THR 146 146 17398 1 . ASN 147 147 17398 1 . SER 148 148 17398 1 . SER 149 149 17398 1 . PHE 150 150 17398 1 . ASN 151 151 17398 1 . VAL 152 152 17398 1 . LEU 153 153 17398 1 . TYR 154 154 17398 1 . LYS 155 155 17398 1 . VAL 156 156 17398 1 . LEU 157 157 17398 1 . PHE 158 158 17398 1 . PHE 159 159 17398 1 . PRO 160 160 17398 1 . ASP 161 161 17398 1 . PHE 162 162 17398 1 . ASN 163 163 17398 1 . PHE 164 164 17398 1 . ALA 165 165 17398 1 . TRP 166 166 17398 1 . VAL 167 167 17398 1 . LYS 168 168 17398 1 . ARG 169 169 17398 1 . ASN 170 170 17398 1 . SER 171 171 17398 1 . VAL 172 172 17398 1 . LYS 173 173 17398 1 . PRO 174 174 17398 1 . LEU 175 175 17398 1 . LEU 176 176 17398 1 . ASP 177 177 17398 1 . SER 178 178 17398 1 . GLU 179 179 17398 1 . ILE 180 180 17398 1 . ALA 181 181 17398 1 . LYS 182 182 17398 1 . PHE 183 183 17398 1 . LEU 184 184 17398 1 . GLY 185 185 17398 1 . SER 186 186 17398 1 . SER 187 187 17398 1 . LYS 188 188 17398 1 . ARG 189 189 17398 1 . LYS 190 190 17398 1 . SER 191 191 17398 1 . LYS 192 192 17398 1 . GLU 193 193 17398 1 . LEU 194 194 17398 1 . ILE 195 195 17398 1 . GLU 196 196 17398 1 . ALA 197 197 17398 1 . TYR 198 198 17398 1 . GLU 199 199 17398 1 . ALA 200 200 17398 1 . SER 201 201 17398 1 . LYS 202 202 17398 1 . THR 203 203 17398 1 . PRO 204 204 17398 1 . PRO 205 205 17398 1 . ASP 206 206 17398 1 . LEU 207 207 17398 1 . LYS 208 208 17398 1 . GLU 209 209 17398 1 . GLU 210 210 17398 1 . SER 211 211 17398 1 . SER 212 212 17398 1 . THR 213 213 17398 1 . ASP 214 214 17398 1 . LEU 215 215 17398 1 . GLU 216 216 17398 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17398 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 17398 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 17398 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 17398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17398 _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 'a protein from fission yeast' . . . 1 $entity . . 0.6 . . mM . . . . 17398 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17398 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17398 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17398 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17398 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17398 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17398 _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 'a protein from fission yeast' . . . 1 $entity . . 0.6 . . mM . . . . 17398 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17398 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17398 2 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17398 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17398 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17398 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.140 . M 17398 1 pH 4.8 . pH 17398 1 pressure 1 . atm 17398 1 temperature 298 . K 17398 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17398 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17398 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17398 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 17398 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 7 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 8 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 11 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 12 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 13 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 14 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 15 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17398 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17398 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CNS _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17398 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17398 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17398 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 17398 _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' . . . 17398 1 2 '3D CBCA(CO)NH' . . . 17398 1 3 '3D C(CO)NH' . . . 17398 1 4 '3D HNCO' . . . 17398 1 5 '3D HNCA' . . . 17398 1 6 '3D HNCACB' . . . 17398 1 7 '3D HBHA(CO)NH' . . . 17398 1 8 '3D HN(CO)CA' . . . 17398 1 9 '3D H(CCO)NH' . . . 17398 1 11 '3D HCCH-TOCSY' . . . 17398 1 12 '3D HCCH-COSY' . . . 17398 1 14 '2D 1H-1H TOCSY' . . . 17398 1 15 '2D 1H-1H NOESY' . . . 17398 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.190 0.006 . 1 . . . A 45 SER HA . 17398 1 2 . 1 1 1 1 SER HB2 H 1 4.043 0.004 . 2 . . . A 45 SER HB2 . 17398 1 3 . 1 1 1 1 SER HB3 H 1 4.043 0.004 . 2 . . . A 45 SER HB3 . 17398 1 4 . 1 1 1 1 SER C C 13 171.160 0.000 . 1 . . . A 45 SER C . 17398 1 5 . 1 1 1 1 SER CA C 13 57.311 0.120 . 1 . . . A 45 SER CA . 17398 1 6 . 1 1 1 1 SER CB C 13 63.043 0.068 . 1 . . . A 45 SER CB . 17398 1 7 . 1 1 2 2 ALA H H 1 8.859 0.006 . 1 . . . A 46 ALA H . 17398 1 8 . 1 1 2 2 ALA HA H 1 4.333 0.010 . 1 . . . A 46 ALA HA . 17398 1 9 . 1 1 2 2 ALA HB1 H 1 1.416 0.009 . 1 . . . A 46 ALA HB1 . 17398 1 10 . 1 1 2 2 ALA HB2 H 1 1.416 0.009 . 1 . . . A 46 ALA HB2 . 17398 1 11 . 1 1 2 2 ALA HB3 H 1 1.416 0.009 . 1 . . . A 46 ALA HB3 . 17398 1 12 . 1 1 2 2 ALA C C 13 177.444 0.000 . 1 . . . A 46 ALA C . 17398 1 13 . 1 1 2 2 ALA CA C 13 53.231 0.087 . 1 . . . A 46 ALA CA . 17398 1 14 . 1 1 2 2 ALA CB C 13 18.888 0.018 . 1 . . . A 46 ALA CB . 17398 1 15 . 1 1 2 2 ALA N N 15 124.632 0.015 . 1 . . . A 46 ALA N . 17398 1 16 . 1 1 3 3 ASP H H 1 8.331 0.007 . 1 . . . A 47 ASP H . 17398 1 17 . 1 1 3 3 ASP HA H 1 4.554 0.004 . 1 . . . A 47 ASP HA . 17398 1 18 . 1 1 3 3 ASP HB2 H 1 2.596 0.001 . 2 . . . A 47 ASP HB2 . 17398 1 19 . 1 1 3 3 ASP HB3 H 1 2.706 0.004 . 2 . . . A 47 ASP HB3 . 17398 1 20 . 1 1 3 3 ASP C C 13 175.942 0.000 . 1 . . . A 47 ASP C . 17398 1 21 . 1 1 3 3 ASP CA C 13 54.258 0.037 . 1 . . . A 47 ASP CA . 17398 1 22 . 1 1 3 3 ASP CB C 13 40.810 0.041 . 1 . . . A 47 ASP CB . 17398 1 23 . 1 1 3 3 ASP N N 15 118.117 0.066 . 1 . . . A 47 ASP N . 17398 1 24 . 1 1 4 4 ASP H H 1 8.025 0.006 . 1 . . . A 48 ASP H . 17398 1 25 . 1 1 4 4 ASP HA H 1 4.534 0.006 . 1 . . . A 48 ASP HA . 17398 1 26 . 1 1 4 4 ASP HB2 H 1 2.665 0.007 . 2 . . . A 48 ASP HB2 . 17398 1 27 . 1 1 4 4 ASP HB3 H 1 2.665 0.007 . 2 . . . A 48 ASP HB3 . 17398 1 28 . 1 1 4 4 ASP C C 13 174.808 0.000 . 1 . . . A 48 ASP C . 17398 1 29 . 1 1 4 4 ASP CA C 13 54.449 0.100 . 1 . . . A 48 ASP CA . 17398 1 30 . 1 1 4 4 ASP CB C 13 40.827 0.101 . 1 . . . A 48 ASP CB . 17398 1 31 . 1 1 4 4 ASP N N 15 120.189 0.060 . 1 . . . A 48 ASP N . 17398 1 32 . 1 1 5 5 ARG H H 1 8.205 0.008 . 1 . . . A 49 ARG H . 17398 1 33 . 1 1 5 5 ARG HA H 1 4.239 0.009 . 1 . . . A 49 ARG HA . 17398 1 34 . 1 1 5 5 ARG HB2 H 1 1.835 0.003 . 2 . . . A 49 ARG HB2 . 17398 1 35 . 1 1 5 5 ARG HB3 H 1 1.835 0.003 . 2 . . . A 49 ARG HB3 . 17398 1 36 . 1 1 5 5 ARG HG2 H 1 1.589 0.002 . 2 . . . A 49 ARG HG2 . 17398 1 37 . 1 1 5 5 ARG HG3 H 1 1.589 0.002 . 2 . . . A 49 ARG HG3 . 17398 1 38 . 1 1 5 5 ARG HD2 H 1 3.184 0.003 . 2 . . . A 49 ARG HD2 . 17398 1 39 . 1 1 5 5 ARG HD3 H 1 3.184 0.003 . 2 . . . A 49 ARG HD3 . 17398 1 40 . 1 1 5 5 ARG C C 13 175.447 0.000 . 1 . . . A 49 ARG C . 17398 1 41 . 1 1 5 5 ARG CA C 13 56.275 0.087 . 1 . . . A 49 ARG CA . 17398 1 42 . 1 1 5 5 ARG CB C 13 30.218 0.090 . 1 . . . A 49 ARG CB . 17398 1 43 . 1 1 5 5 ARG CG C 13 27.104 0.071 . 1 . . . A 49 ARG CG . 17398 1 44 . 1 1 5 5 ARG CD C 13 43.232 0.018 . 1 . . . A 49 ARG CD . 17398 1 45 . 1 1 5 5 ARG N N 15 120.044 0.042 . 1 . . . A 49 ARG N . 17398 1 46 . 1 1 6 6 LEU H H 1 7.831 0.005 . 1 . . . A 50 LEU H . 17398 1 47 . 1 1 6 6 LEU HA H 1 4.408 0.004 . 1 . . . A 50 LEU HA . 17398 1 48 . 1 1 6 6 LEU HB2 H 1 1.476 0.005 . 2 . . . A 50 LEU HB2 . 17398 1 49 . 1 1 6 6 LEU HB3 H 1 1.093 0.011 . 2 . . . A 50 LEU HB3 . 17398 1 50 . 1 1 6 6 LEU HG H 1 0.535 0.004 . 1 . . . A 50 LEU HG . 17398 1 51 . 1 1 6 6 LEU HD11 H 1 0.642 0.009 . . . . . A 50 LEU HD11 . 17398 1 52 . 1 1 6 6 LEU HD12 H 1 0.642 0.009 . . . . . A 50 LEU HD12 . 17398 1 53 . 1 1 6 6 LEU HD13 H 1 0.642 0.009 . . . . . A 50 LEU HD13 . 17398 1 54 . 1 1 6 6 LEU C C 13 175.698 0.000 . 1 . . . A 50 LEU C . 17398 1 55 . 1 1 6 6 LEU CA C 13 54.099 0.089 . 1 . . . A 50 LEU CA . 17398 1 56 . 1 1 6 6 LEU CB C 13 43.388 0.100 . 1 . . . A 50 LEU CB . 17398 1 57 . 1 1 6 6 LEU CD1 C 13 23.391 0.050 . 2 . . . A 50 LEU CD1 . 17398 1 58 . 1 1 6 6 LEU CD2 C 13 25.795 0.038 . 2 . . . A 50 LEU CD2 . 17398 1 59 . 1 1 6 6 LEU N N 15 121.986 0.062 . 1 . . . A 50 LEU N . 17398 1 60 . 1 1 7 7 ASN H H 1 8.890 0.009 . 1 . . . A 51 ASN H . 17398 1 61 . 1 1 7 7 ASN HA H 1 4.870 0.010 . 1 . . . A 51 ASN HA . 17398 1 62 . 1 1 7 7 ASN HB2 H 1 2.675 0.008 . 2 . . . A 51 ASN HB2 . 17398 1 63 . 1 1 7 7 ASN HB3 H 1 2.675 0.008 . 2 . . . A 51 ASN HB3 . 17398 1 64 . 1 1 7 7 ASN HD21 H 1 6.867 0.009 . 2 . . . A 51 ASN HD21 . 17398 1 65 . 1 1 7 7 ASN HD22 H 1 7.965 0.004 . 2 . . . A 51 ASN HD22 . 17398 1 66 . 1 1 7 7 ASN C C 13 173.757 0.000 . 1 . . . A 51 ASN C . 17398 1 67 . 1 1 7 7 ASN CA C 13 51.636 0.073 . 1 . . . A 51 ASN CA . 17398 1 68 . 1 1 7 7 ASN CB C 13 42.214 0.089 . 1 . . . A 51 ASN CB . 17398 1 69 . 1 1 7 7 ASN N N 15 121.456 0.072 . 1 . . . A 51 ASN N . 17398 1 70 . 1 1 7 7 ASN ND2 N 15 115.734 0.053 . 1 . . . A 51 ASN ND2 . 17398 1 71 . 1 1 8 8 PHE H H 1 8.399 0.004 . 1 . . . A 52 PHE H . 17398 1 72 . 1 1 8 8 PHE HA H 1 4.009 0.007 . 1 . . . A 52 PHE HA . 17398 1 73 . 1 1 8 8 PHE HB2 H 1 2.872 0.006 . 2 . . . A 52 PHE HB2 . 17398 1 74 . 1 1 8 8 PHE HB3 H 1 3.133 0.009 . 2 . . . A 52 PHE HB3 . 17398 1 75 . 1 1 8 8 PHE HD1 H 1 7.197 0.005 . 3 . . . A 52 PHE HD1 . 17398 1 76 . 1 1 8 8 PHE HD2 H 1 7.197 0.005 . 3 . . . A 52 PHE HD2 . 17398 1 77 . 1 1 8 8 PHE HE1 H 1 7.177 0.009 . 3 . . . A 52 PHE HE1 . 17398 1 78 . 1 1 8 8 PHE HE2 H 1 7.177 0.009 . 3 . . . A 52 PHE HE2 . 17398 1 79 . 1 1 8 8 PHE HZ H 1 6.997 0.006 . . . . . A 52 PHE HZ . 17398 1 80 . 1 1 8 8 PHE C C 13 176.462 0.000 . 1 . . . A 52 PHE C . 17398 1 81 . 1 1 8 8 PHE CA C 13 59.445 0.082 . 1 . . . A 52 PHE CA . 17398 1 82 . 1 1 8 8 PHE CB C 13 38.719 0.055 . 1 . . . A 52 PHE CB . 17398 1 83 . 1 1 8 8 PHE N N 15 120.422 0.045 . 1 . . . A 52 PHE N . 17398 1 84 . 1 1 9 9 GLY H H 1 9.139 0.006 . 1 . . . A 53 GLY H . 17398 1 85 . 1 1 9 9 GLY HA2 H 1 3.052 0.016 . 2 . . . A 53 GLY HA2 . 17398 1 86 . 1 1 9 9 GLY HA3 H 1 4.047 0.009 . 2 . . . A 53 GLY HA3 . 17398 1 87 . 1 1 9 9 GLY C C 13 173.268 0.000 . 1 . . . A 53 GLY C . 17398 1 88 . 1 1 9 9 GLY CA C 13 44.660 0.082 . 1 . . . A 53 GLY CA . 17398 1 89 . 1 1 9 9 GLY N N 15 116.343 0.084 . 1 . . . A 53 GLY N . 17398 1 90 . 1 1 10 10 ASP H H 1 8.038 0.007 . 1 . . . A 54 ASP H . 17398 1 91 . 1 1 10 10 ASP HA H 1 4.544 0.004 . 1 . . . A 54 ASP HA . 17398 1 92 . 1 1 10 10 ASP HB2 H 1 2.536 0.001 . 2 . . . A 54 ASP HB2 . 17398 1 93 . 1 1 10 10 ASP HB3 H 1 2.717 0.004 . 2 . . . A 54 ASP HB3 . 17398 1 94 . 1 1 10 10 ASP C C 13 175.311 0.000 . 1 . . . A 54 ASP C . 17398 1 95 . 1 1 10 10 ASP CA C 13 54.699 0.105 . 1 . . . A 54 ASP CA . 17398 1 96 . 1 1 10 10 ASP CB C 13 40.862 0.098 . 1 . . . A 54 ASP CB . 17398 1 97 . 1 1 10 10 ASP N N 15 120.070 0.076 . 1 . . . A 54 ASP N . 17398 1 98 . 1 1 11 11 ARG H H 1 8.518 0.006 . 1 . . . A 55 ARG H . 17398 1 99 . 1 1 11 11 ARG HA H 1 5.017 0.005 . 1 . . . A 55 ARG HA . 17398 1 100 . 1 1 11 11 ARG HB2 H 1 1.881 0.000 . 2 . . . A 55 ARG HB2 . 17398 1 101 . 1 1 11 11 ARG HB3 H 1 2.057 0.007 . 2 . . . A 55 ARG HB3 . 17398 1 102 . 1 1 11 11 ARG C C 13 175.917 0.000 . 1 . . . A 55 ARG C . 17398 1 103 . 1 1 11 11 ARG CA C 13 56.318 0.080 . 1 . . . A 55 ARG CA . 17398 1 104 . 1 1 11 11 ARG CB C 13 30.947 0.133 . 1 . . . A 55 ARG CB . 17398 1 105 . 1 1 11 11 ARG N N 15 121.160 0.084 . 1 . . . A 55 ARG N . 17398 1 106 . 1 1 12 12 ILE H H 1 8.972 0.006 . 1 . . . A 56 ILE H . 17398 1 107 . 1 1 12 12 ILE HA H 1 5.002 0.009 . 1 . . . A 56 ILE HA . 17398 1 108 . 1 1 12 12 ILE HB H 1 1.953 0.009 . 1 . . . A 56 ILE HB . 17398 1 109 . 1 1 12 12 ILE HG12 H 1 0.863 0.000 . . . . . A 56 ILE HG12 . 17398 1 110 . 1 1 12 12 ILE HG13 H 1 0.863 0.000 . . . . . A 56 ILE HG13 . 17398 1 111 . 1 1 12 12 ILE HG21 H 1 0.610 0.005 . . . . . A 56 ILE HG21 . 17398 1 112 . 1 1 12 12 ILE HG22 H 1 0.610 0.005 . . . . . A 56 ILE HG22 . 17398 1 113 . 1 1 12 12 ILE HG23 H 1 0.610 0.005 . . . . . A 56 ILE HG23 . 17398 1 114 . 1 1 12 12 ILE HD11 H 1 0.466 0.009 . . . . . A 56 ILE HD11 . 17398 1 115 . 1 1 12 12 ILE HD12 H 1 0.466 0.009 . . . . . A 56 ILE HD12 . 17398 1 116 . 1 1 12 12 ILE HD13 H 1 0.466 0.009 . . . . . A 56 ILE HD13 . 17398 1 117 . 1 1 12 12 ILE C C 13 173.977 0.000 . 1 . . . A 56 ILE C . 17398 1 118 . 1 1 12 12 ILE CA C 13 60.115 0.131 . 1 . . . A 56 ILE CA . 17398 1 119 . 1 1 12 12 ILE CB C 13 43.192 0.148 . 1 . . . A 56 ILE CB . 17398 1 120 . 1 1 12 12 ILE CG2 C 13 18.848 0.040 . 1 . . . A 56 ILE CG2 . 17398 1 121 . 1 1 12 12 ILE CD1 C 13 14.880 0.027 . 1 . . . A 56 ILE CD1 . 17398 1 122 . 1 1 12 12 ILE N N 15 121.381 0.065 . 1 . . . A 56 ILE N . 17398 1 123 . 1 1 13 13 LEU H H 1 9.275 0.006 . 1 . . . A 57 LEU H . 17398 1 124 . 1 1 13 13 LEU HA H 1 5.005 0.012 . 1 . . . A 57 LEU HA . 17398 1 125 . 1 1 13 13 LEU HB2 H 1 1.466 0.003 . 2 . . . A 57 LEU HB2 . 17398 1 126 . 1 1 13 13 LEU HB3 H 1 1.466 0.003 . 2 . . . A 57 LEU HB3 . 17398 1 127 . 1 1 13 13 LEU C C 13 176.687 0.000 . 1 . . . A 57 LEU C . 17398 1 128 . 1 1 13 13 LEU CA C 13 53.530 0.097 . 1 . . . A 57 LEU CA . 17398 1 129 . 1 1 13 13 LEU CB C 13 46.818 0.120 . 1 . . . A 57 LEU CB . 17398 1 130 . 1 1 13 13 LEU CG C 13 25.401 0.089 . 1 . . . A 57 LEU CG . 17398 1 131 . 1 1 13 13 LEU CD1 C 13 23.398 0.044 . 2 . . . A 57 LEU CD1 . 17398 1 132 . 1 1 13 13 LEU CD2 C 13 23.505 0.048 . 2 . . . A 57 LEU CD2 . 17398 1 133 . 1 1 13 13 LEU N N 15 119.485 0.032 . 1 . . . A 57 LEU N . 17398 1 134 . 1 1 14 14 VAL H H 1 9.221 0.006 . 1 . . . A 58 VAL H . 17398 1 135 . 1 1 14 14 VAL HA H 1 5.469 0.014 . 1 . . . A 58 VAL HA . 17398 1 136 . 1 1 14 14 VAL HB H 1 2.058 0.005 . 1 . . . A 58 VAL HB . 17398 1 137 . 1 1 14 14 VAL HG11 H 1 0.794 0.009 . . . . . A 58 VAL HG11 . 17398 1 138 . 1 1 14 14 VAL HG12 H 1 0.794 0.009 . . . . . A 58 VAL HG12 . 17398 1 139 . 1 1 14 14 VAL HG13 H 1 0.794 0.009 . . . . . A 58 VAL HG13 . 17398 1 140 . 1 1 14 14 VAL HG21 H 1 0.910 0.007 . . . . . A 58 VAL HG21 . 17398 1 141 . 1 1 14 14 VAL HG22 H 1 0.910 0.007 . . . . . A 58 VAL HG22 . 17398 1 142 . 1 1 14 14 VAL HG23 H 1 0.910 0.007 . . . . . A 58 VAL HG23 . 17398 1 143 . 1 1 14 14 VAL C C 13 175.567 0.000 . 1 . . . A 58 VAL C . 17398 1 144 . 1 1 14 14 VAL CA C 13 59.806 0.105 . 1 . . . A 58 VAL CA . 17398 1 145 . 1 1 14 14 VAL CB C 13 36.027 0.079 . 1 . . . A 58 VAL CB . 17398 1 146 . 1 1 14 14 VAL CG1 C 13 23.673 0.038 . 2 . . . A 58 VAL CG1 . 17398 1 147 . 1 1 14 14 VAL CG2 C 13 22.350 0.048 . 2 . . . A 58 VAL CG2 . 17398 1 148 . 1 1 14 14 VAL N N 15 120.085 0.074 . 1 . . . A 58 VAL N . 17398 1 149 . 1 1 15 15 LYS H H 1 8.700 0.006 . 1 . . . A 59 LYS H . 17398 1 150 . 1 1 15 15 LYS HA H 1 4.143 0.019 . 1 . . . A 59 LYS HA . 17398 1 151 . 1 1 15 15 LYS HB2 H 1 1.016 0.011 . 2 . . . A 59 LYS HB2 . 17398 1 152 . 1 1 15 15 LYS HB3 H 1 1.016 0.011 . 2 . . . A 59 LYS HB3 . 17398 1 153 . 1 1 15 15 LYS HG2 H 1 0.907 0.000 . 2 . . . A 59 LYS HG2 . 17398 1 154 . 1 1 15 15 LYS HG3 H 1 0.907 0.000 . 2 . . . A 59 LYS HG3 . 17398 1 155 . 1 1 15 15 LYS HD2 H 1 1.827 0.003 . 2 . . . A 59 LYS HD2 . 17398 1 156 . 1 1 15 15 LYS HD3 H 1 1.827 0.003 . 2 . . . A 59 LYS HD3 . 17398 1 157 . 1 1 15 15 LYS C C 13 173.145 0.000 . 1 . . . A 59 LYS C . 17398 1 158 . 1 1 15 15 LYS CA C 13 53.208 0.140 . 1 . . . A 59 LYS CA . 17398 1 159 . 1 1 15 15 LYS CB C 13 31.223 0.093 . 1 . . . A 59 LYS CB . 17398 1 160 . 1 1 15 15 LYS N N 15 132.853 0.048 . 1 . . . A 59 LYS N . 17398 1 161 . 1 1 16 16 ALA H H 1 8.899 0.005 . 1 . . . A 60 ALA H . 17398 1 162 . 1 1 16 16 ALA CA C 13 48.733 0.045 . 1 . . . A 60 ALA CA . 17398 1 163 . 1 1 16 16 ALA CB C 13 19.382 0.034 . 1 . . . A 60 ALA CB . 17398 1 164 . 1 1 16 16 ALA N N 15 133.244 0.098 . 1 . . . A 60 ALA N . 17398 1 165 . 1 1 17 17 PRO HA H 1 4.230 0.010 . 1 . . . A 61 PRO HA . 17398 1 166 . 1 1 17 17 PRO HB2 H 1 2.256 0.014 . 2 . . . A 61 PRO HB2 . 17398 1 167 . 1 1 17 17 PRO HB3 H 1 1.869 0.012 . 2 . . . A 61 PRO HB3 . 17398 1 168 . 1 1 17 17 PRO HG2 H 1 1.939 0.000 . 2 . . . A 61 PRO HG2 . 17398 1 169 . 1 1 17 17 PRO HG3 H 1 1.939 0.000 . 2 . . . A 61 PRO HG3 . 17398 1 170 . 1 1 17 17 PRO HD3 H 1 3.846 0.002 . 2 . . . A 61 PRO HD3 . 17398 1 171 . 1 1 17 17 PRO C C 13 177.930 0.000 . 1 . . . A 61 PRO C . 17398 1 172 . 1 1 17 17 PRO CA C 13 64.179 0.091 . 1 . . . A 61 PRO CA . 17398 1 173 . 1 1 17 17 PRO CB C 13 31.481 0.134 . 1 . . . A 61 PRO CB . 17398 1 174 . 1 1 18 18 GLY H H 1 8.617 0.007 . 1 . . . A 62 GLY H . 17398 1 175 . 1 1 18 18 GLY HA2 H 1 3.477 0.003 . 2 . . . A 62 GLY HA2 . 17398 1 176 . 1 1 18 18 GLY HA3 H 1 3.904 0.004 . 2 . . . A 62 GLY HA3 . 17398 1 177 . 1 1 18 18 GLY C C 13 173.473 0.000 . 1 . . . A 62 GLY C . 17398 1 178 . 1 1 18 18 GLY CA C 13 45.006 0.068 . 1 . . . A 62 GLY CA . 17398 1 179 . 1 1 18 18 GLY N N 15 111.325 0.063 . 1 . . . A 62 GLY N . 17398 1 180 . 1 1 19 19 TYR H H 1 7.904 0.005 . 1 . . . A 63 TYR H . 17398 1 181 . 1 1 19 19 TYR HA H 1 4.943 0.006 . 1 . . . A 63 TYR HA . 17398 1 182 . 1 1 19 19 TYR HB2 H 1 2.616 0.010 . 2 . . . A 63 TYR HB2 . 17398 1 183 . 1 1 19 19 TYR HB3 H 1 3.115 0.012 . 2 . . . A 63 TYR HB3 . 17398 1 184 . 1 1 19 19 TYR HD1 H 1 6.817 0.007 . 3 . . . A 63 TYR HD1 . 17398 1 185 . 1 1 19 19 TYR HD2 H 1 6.817 0.007 . 3 . . . A 63 TYR HD2 . 17398 1 186 . 1 1 19 19 TYR HE1 H 1 6.583 0.030 . 3 . . . A 63 TYR HE1 . 17398 1 187 . 1 1 19 19 TYR HE2 H 1 6.583 0.030 . 3 . . . A 63 TYR HE2 . 17398 1 188 . 1 1 19 19 TYR CA C 13 56.343 0.103 . 1 . . . A 63 TYR CA . 17398 1 189 . 1 1 19 19 TYR CB C 13 41.048 0.106 . 1 . . . A 63 TYR CB . 17398 1 190 . 1 1 19 19 TYR N N 15 119.057 0.040 . 1 . . . A 63 TYR N . 17398 1 191 . 1 1 20 20 PRO HA H 1 4.830 0.009 . 1 . . . A 64 PRO HA . 17398 1 192 . 1 1 20 20 PRO HB2 H 1 2.575 0.012 . 2 . . . A 64 PRO HB2 . 17398 1 193 . 1 1 20 20 PRO HB3 H 1 2.265 0.006 . 2 . . . A 64 PRO HB3 . 17398 1 194 . 1 1 20 20 PRO HG2 H 1 2.420 0.013 . 2 . . . A 64 PRO HG2 . 17398 1 195 . 1 1 20 20 PRO HG3 H 1 2.420 0.013 . 2 . . . A 64 PRO HG3 . 17398 1 196 . 1 1 20 20 PRO HD2 H 1 4.093 0.017 . 2 . . . A 64 PRO HD2 . 17398 1 197 . 1 1 20 20 PRO HD3 H 1 4.093 0.017 . 2 . . . A 64 PRO HD3 . 17398 1 198 . 1 1 20 20 PRO C C 13 174.473 0.000 . 1 . . . A 64 PRO C . 17398 1 199 . 1 1 20 20 PRO CA C 13 61.935 0.051 . 1 . . . A 64 PRO CA . 17398 1 200 . 1 1 20 20 PRO CB C 13 32.587 0.094 . 1 . . . A 64 PRO CB . 17398 1 201 . 1 1 20 20 PRO CG C 13 27.836 0.061 . 1 . . . A 64 PRO CG . 17398 1 202 . 1 1 21 21 TRP H H 1 8.113 0.004 . 1 . . . A 65 TRP H . 17398 1 203 . 1 1 21 21 TRP HA H 1 4.112 0.006 . 1 . . . A 65 TRP HA . 17398 1 204 . 1 1 21 21 TRP HB2 H 1 3.075 0.008 . 2 . . . A 65 TRP HB2 . 17398 1 205 . 1 1 21 21 TRP HB3 H 1 3.232 0.012 . 2 . . . A 65 TRP HB3 . 17398 1 206 . 1 1 21 21 TRP HD1 H 1 7.632 0.009 . 1 . . . A 65 TRP HD1 . 17398 1 207 . 1 1 21 21 TRP HE1 H 1 10.319 0.006 . 1 . . . A 65 TRP HE1 . 17398 1 208 . 1 1 21 21 TRP HE3 H 1 8.033 0.003 . 1 . . . A 65 TRP HE3 . 17398 1 209 . 1 1 21 21 TRP HZ3 H 1 7.072 0.006 . 1 . . . A 65 TRP HZ3 . 17398 1 210 . 1 1 21 21 TRP HH2 H 1 6.975 0.009 . 1 . . . A 65 TRP HH2 . 17398 1 211 . 1 1 21 21 TRP C C 13 176.159 0.000 . 1 . . . A 65 TRP C . 17398 1 212 . 1 1 21 21 TRP CA C 13 59.950 0.076 . 1 . . . A 65 TRP CA . 17398 1 213 . 1 1 21 21 TRP CB C 13 28.982 0.169 . 1 . . . A 65 TRP CB . 17398 1 214 . 1 1 21 21 TRP N N 15 119.984 0.042 . 1 . . . A 65 TRP N . 17398 1 215 . 1 1 21 21 TRP NE1 N 15 129.703 0.025 . . . . . A 65 TRP NE1 . 17398 1 216 . 1 1 22 22 TRP H H 1 9.265 0.006 . 1 . . . A 66 TRP H . 17398 1 217 . 1 1 22 22 TRP HA H 1 4.841 0.013 . 1 . . . A 66 TRP HA . 17398 1 218 . 1 1 22 22 TRP HB2 H 1 3.440 0.020 . 2 . . . A 66 TRP HB2 . 17398 1 219 . 1 1 22 22 TRP HB3 H 1 3.440 0.020 . 2 . . . A 66 TRP HB3 . 17398 1 220 . 1 1 22 22 TRP HD1 H 1 7.028 0.012 . 1 . . . A 66 TRP HD1 . 17398 1 221 . 1 1 22 22 TRP HE1 H 1 10.572 0.005 . 1 . . . A 66 TRP HE1 . 17398 1 222 . 1 1 22 22 TRP HE3 H 1 7.477 0.002 . 1 . . . A 66 TRP HE3 . 17398 1 223 . 1 1 22 22 TRP HZ2 H 1 7.240 0.011 . 1 . . . A 66 TRP HZ2 . 17398 1 224 . 1 1 22 22 TRP HZ3 H 1 6.937 0.000 . 1 . . . A 66 TRP HZ3 . 17398 1 225 . 1 1 22 22 TRP HH2 H 1 7.307 0.009 . 1 . . . A 66 TRP HH2 . 17398 1 226 . 1 1 22 22 TRP CA C 13 55.578 0.113 . 1 . . . A 66 TRP CA . 17398 1 227 . 1 1 22 22 TRP CB C 13 33.340 0.108 . 1 . . . A 66 TRP CB . 17398 1 228 . 1 1 22 22 TRP N N 15 126.771 0.097 . 1 . . . A 66 TRP N . 17398 1 229 . 1 1 22 22 TRP NE1 N 15 130.249 0.042 . 1 . . . A 66 TRP NE1 . 17398 1 230 . 1 1 23 23 PRO HA H 1 4.805 0.007 . 1 . . . A 67 PRO HA . 17398 1 231 . 1 1 23 23 PRO HB2 H 1 1.607 0.008 . 2 . . . A 67 PRO HB2 . 17398 1 232 . 1 1 23 23 PRO HB3 H 1 1.607 0.008 . 2 . . . A 67 PRO HB3 . 17398 1 233 . 1 1 23 23 PRO HD2 H 1 3.099 0.014 . 2 . . . A 67 PRO HD2 . 17398 1 234 . 1 1 23 23 PRO HD3 H 1 3.099 0.014 . 2 . . . A 67 PRO HD3 . 17398 1 235 . 1 1 23 23 PRO C C 13 175.798 0.000 . 1 . . . A 67 PRO C . 17398 1 236 . 1 1 23 23 PRO CA C 13 63.846 0.097 . 1 . . . A 67 PRO CA . 17398 1 237 . 1 1 23 23 PRO CB C 13 33.048 0.164 . 1 . . . A 67 PRO CB . 17398 1 238 . 1 1 24 24 ALA H H 1 9.805 0.004 . 1 . . . A 68 ALA H . 17398 1 239 . 1 1 24 24 ALA HA H 1 5.199 0.005 . 1 . . . A 68 ALA HA . 17398 1 240 . 1 1 24 24 ALA HB1 H 1 1.027 0.005 . 1 . . . A 68 ALA HB1 . 17398 1 241 . 1 1 24 24 ALA HB2 H 1 1.027 0.005 . 1 . . . A 68 ALA HB2 . 17398 1 242 . 1 1 24 24 ALA HB3 H 1 1.027 0.005 . 1 . . . A 68 ALA HB3 . 17398 1 243 . 1 1 24 24 ALA C C 13 175.180 0.000 . 1 . . . A 68 ALA C . 17398 1 244 . 1 1 24 24 ALA CA C 13 51.709 0.065 . 1 . . . A 68 ALA CA . 17398 1 245 . 1 1 24 24 ALA CB C 13 23.978 0.037 . 1 . . . A 68 ALA CB . 17398 1 246 . 1 1 24 24 ALA N N 15 127.911 0.031 . 1 . . . A 68 ALA N . 17398 1 247 . 1 1 25 25 LEU H H 1 8.705 0.005 . 1 . . . A 69 LEU H . 17398 1 248 . 1 1 25 25 LEU HA H 1 5.153 0.006 . 1 . . . A 69 LEU HA . 17398 1 249 . 1 1 25 25 LEU HB2 H 1 1.054 0.005 . 2 . . . A 69 LEU HB2 . 17398 1 250 . 1 1 25 25 LEU HB3 H 1 1.226 0.010 . 2 . . . A 69 LEU HB3 . 17398 1 251 . 1 1 25 25 LEU HD11 H 1 0.897 0.009 . . . . . A 69 LEU HD11 . 17398 1 252 . 1 1 25 25 LEU HD12 H 1 0.897 0.009 . . . . . A 69 LEU HD12 . 17398 1 253 . 1 1 25 25 LEU HD13 H 1 0.897 0.009 . . . . . A 69 LEU HD13 . 17398 1 254 . 1 1 25 25 LEU HD21 H 1 0.613 0.007 . . . . . A 69 LEU HD21 . 17398 1 255 . 1 1 25 25 LEU HD22 H 1 0.613 0.007 . . . . . A 69 LEU HD22 . 17398 1 256 . 1 1 25 25 LEU HD23 H 1 0.613 0.007 . . . . . A 69 LEU HD23 . 17398 1 257 . 1 1 25 25 LEU C C 13 176.109 0.000 . 1 . . . A 69 LEU C . 17398 1 258 . 1 1 25 25 LEU CA C 13 52.830 0.095 . 1 . . . A 69 LEU CA . 17398 1 259 . 1 1 25 25 LEU CB C 13 46.648 0.168 . 1 . . . A 69 LEU CB . 17398 1 260 . 1 1 25 25 LEU CG C 13 26.224 0.091 . 1 . . . A 69 LEU CG . 17398 1 261 . 1 1 25 25 LEU CD1 C 13 24.126 0.076 . 2 . . . A 69 LEU CD1 . 17398 1 262 . 1 1 25 25 LEU CD2 C 13 25.996 0.070 . 2 . . . A 69 LEU CD2 . 17398 1 263 . 1 1 25 25 LEU N N 15 118.143 0.073 . 1 . . . A 69 LEU N . 17398 1 264 . 1 1 26 26 LEU H H 1 8.431 0.005 . 1 . . . A 70 LEU H . 17398 1 265 . 1 1 26 26 LEU HA H 1 4.043 0.009 . 1 . . . A 70 LEU HA . 17398 1 266 . 1 1 26 26 LEU HB2 H 1 1.129 0.008 . 2 . . . A 70 LEU HB2 . 17398 1 267 . 1 1 26 26 LEU HB3 H 1 2.068 0.010 . 2 . . . A 70 LEU HB3 . 17398 1 268 . 1 1 26 26 LEU HG H 1 0.801 0.000 . 1 . . . A 70 LEU HG . 17398 1 269 . 1 1 26 26 LEU HD11 H 1 0.581 0.008 . . . . . A 70 LEU HD11 . 17398 1 270 . 1 1 26 26 LEU HD12 H 1 0.581 0.008 . . . . . A 70 LEU HD12 . 17398 1 271 . 1 1 26 26 LEU HD13 H 1 0.581 0.008 . . . . . A 70 LEU HD13 . 17398 1 272 . 1 1 26 26 LEU C C 13 175.021 0.000 . 1 . . . A 70 LEU C . 17398 1 273 . 1 1 26 26 LEU CA C 13 55.216 0.076 . 1 . . . A 70 LEU CA . 17398 1 274 . 1 1 26 26 LEU CB C 13 42.538 0.074 . 1 . . . A 70 LEU CB . 17398 1 275 . 1 1 26 26 LEU CG C 13 25.414 0.000 . 1 . . . A 70 LEU CG . 17398 1 276 . 1 1 26 26 LEU CD1 C 13 25.718 0.032 . 2 . . . A 70 LEU CD1 . 17398 1 277 . 1 1 26 26 LEU CD2 C 13 22.088 0.022 . 2 . . . A 70 LEU CD2 . 17398 1 278 . 1 1 26 26 LEU N N 15 123.774 0.062 . 1 . . . A 70 LEU N . 17398 1 279 . 1 1 27 27 LEU H H 1 8.728 0.006 . 1 . . . A 71 LEU H . 17398 1 280 . 1 1 27 27 LEU HA H 1 4.598 0.009 . 1 . . . A 71 LEU HA . 17398 1 281 . 1 1 27 27 LEU HB2 H 1 1.224 0.011 . 2 . . . A 71 LEU HB2 . 17398 1 282 . 1 1 27 27 LEU HB3 H 1 1.441 0.006 . 2 . . . A 71 LEU HB3 . 17398 1 283 . 1 1 27 27 LEU HG H 1 1.285 0.000 . 1 . . . A 71 LEU HG . 17398 1 284 . 1 1 27 27 LEU C C 13 175.408 0.000 . 1 . . . A 71 LEU C . 17398 1 285 . 1 1 27 27 LEU CA C 13 54.794 0.149 . 1 . . . A 71 LEU CA . 17398 1 286 . 1 1 27 27 LEU CB C 13 43.101 0.074 . 1 . . . A 71 LEU CB . 17398 1 287 . 1 1 27 27 LEU CG C 13 24.958 0.000 . 1 . . . A 71 LEU CG . 17398 1 288 . 1 1 27 27 LEU N N 15 126.931 0.029 . 1 . . . A 71 LEU N . 17398 1 289 . 1 1 28 28 ARG H H 1 7.287 0.005 . 1 . . . A 72 ARG H . 17398 1 290 . 1 1 28 28 ARG HA H 1 4.555 0.008 . 1 . . . A 72 ARG HA . 17398 1 291 . 1 1 28 28 ARG HB2 H 1 1.753 0.007 . 2 . . . A 72 ARG HB2 . 17398 1 292 . 1 1 28 28 ARG HB3 H 1 1.851 0.006 . 2 . . . A 72 ARG HB3 . 17398 1 293 . 1 1 28 28 ARG HG2 H 1 1.542 0.000 . 2 . . . A 72 ARG HG2 . 17398 1 294 . 1 1 28 28 ARG HG3 H 1 1.542 0.000 . 2 . . . A 72 ARG HG3 . 17398 1 295 . 1 1 28 28 ARG HD2 H 1 3.205 0.009 . 2 . . . A 72 ARG HD2 . 17398 1 296 . 1 1 28 28 ARG HD3 H 1 3.205 0.009 . 2 . . . A 72 ARG HD3 . 17398 1 297 . 1 1 28 28 ARG C C 13 173.826 0.000 . 1 . . . A 72 ARG C . 17398 1 298 . 1 1 28 28 ARG CA C 13 55.131 0.077 . 1 . . . A 72 ARG CA . 17398 1 299 . 1 1 28 28 ARG CB C 13 33.419 0.057 . 1 . . . A 72 ARG CB . 17398 1 300 . 1 1 28 28 ARG N N 15 113.851 0.031 . 1 . . . A 72 ARG N . 17398 1 301 . 1 1 29 29 ARG H H 1 8.516 0.009 . 1 . . . A 73 ARG H . 17398 1 302 . 1 1 29 29 ARG HA H 1 5.075 0.018 . 1 . . . A 73 ARG HA . 17398 1 303 . 1 1 29 29 ARG HB2 H 1 1.529 0.005 . 2 . . . A 73 ARG HB2 . 17398 1 304 . 1 1 29 29 ARG HB3 H 1 1.663 0.008 . 2 . . . A 73 ARG HB3 . 17398 1 305 . 1 1 29 29 ARG HG3 H 1 1.357 0.007 . 2 . . . A 73 ARG HG3 . 17398 1 306 . 1 1 29 29 ARG HD2 H 1 3.136 0.006 . 2 . . . A 73 ARG HD2 . 17398 1 307 . 1 1 29 29 ARG HD3 H 1 3.136 0.006 . 2 . . . A 73 ARG HD3 . 17398 1 308 . 1 1 29 29 ARG C C 13 175.348 0.000 . 1 . . . A 73 ARG C . 17398 1 309 . 1 1 29 29 ARG CA C 13 54.637 0.088 . 1 . . . A 73 ARG CA . 17398 1 310 . 1 1 29 29 ARG CB C 13 33.309 0.117 . 1 . . . A 73 ARG CB . 17398 1 311 . 1 1 29 29 ARG CG C 13 26.963 0.064 . 1 . . . A 73 ARG CG . 17398 1 312 . 1 1 29 29 ARG CD C 13 43.568 0.104 . 1 . . . A 73 ARG CD . 17398 1 313 . 1 1 29 29 ARG N N 15 121.410 0.066 . 1 . . . A 73 ARG N . 17398 1 314 . 1 1 30 30 LYS H H 1 9.230 0.008 . 1 . . . A 74 LYS H . 17398 1 315 . 1 1 30 30 LYS HA H 1 4.572 0.014 . 1 . . . A 74 LYS HA . 17398 1 316 . 1 1 30 30 LYS HB2 H 1 1.641 0.007 . 2 . . . A 74 LYS HB2 . 17398 1 317 . 1 1 30 30 LYS HB3 H 1 1.641 0.007 . 2 . . . A 74 LYS HB3 . 17398 1 318 . 1 1 30 30 LYS HG2 H 1 1.100 0.008 . 2 . . . A 74 LYS HG2 . 17398 1 319 . 1 1 30 30 LYS HG3 H 1 1.127 0.003 . 2 . . . A 74 LYS HG3 . 17398 1 320 . 1 1 30 30 LYS C C 13 174.472 0.000 . 1 . . . A 74 LYS C . 17398 1 321 . 1 1 30 30 LYS CA C 13 55.893 0.104 . 1 . . . A 74 LYS CA . 17398 1 322 . 1 1 30 30 LYS CB C 13 35.906 0.079 . 1 . . . A 74 LYS CB . 17398 1 323 . 1 1 30 30 LYS CG C 13 24.529 0.053 . 1 . . . A 74 LYS CG . 17398 1 324 . 1 1 30 30 LYS N N 15 125.548 0.034 . 1 . . . A 74 LYS N . 17398 1 325 . 1 1 31 31 GLU H H 1 8.687 0.009 . 1 . . . A 75 GLU H . 17398 1 326 . 1 1 31 31 GLU HA H 1 4.856 0.013 . 1 . . . A 75 GLU HA . 17398 1 327 . 1 1 31 31 GLU HB2 H 1 1.889 0.012 . 2 . . . A 75 GLU HB2 . 17398 1 328 . 1 1 31 31 GLU HB3 H 1 1.889 0.012 . 2 . . . A 75 GLU HB3 . 17398 1 329 . 1 1 31 31 GLU HG2 H 1 2.188 0.007 . 2 . . . A 75 GLU HG2 . 17398 1 330 . 1 1 31 31 GLU HG3 H 1 2.188 0.007 . 2 . . . A 75 GLU HG3 . 17398 1 331 . 1 1 31 31 GLU C C 13 176.175 0.000 . 1 . . . A 75 GLU C . 17398 1 332 . 1 1 31 31 GLU CA C 13 55.315 0.094 . 1 . . . A 75 GLU CA . 17398 1 333 . 1 1 31 31 GLU CB C 13 30.764 0.092 . 1 . . . A 75 GLU CB . 17398 1 334 . 1 1 31 31 GLU CG C 13 35.721 0.069 . 1 . . . A 75 GLU CG . 17398 1 335 . 1 1 31 31 GLU N N 15 125.024 0.051 . 1 . . . A 75 GLU N . 17398 1 336 . 1 1 32 32 THR H H 1 8.516 0.005 . 1 . . . A 76 THR H . 17398 1 337 . 1 1 32 32 THR HA H 1 4.483 0.007 . 1 . . . A 76 THR HA . 17398 1 338 . 1 1 32 32 THR HB H 1 4.108 0.006 . 1 . . . A 76 THR HB . 17398 1 339 . 1 1 32 32 THR HG21 H 1 1.069 0.004 . . . . . A 76 THR HG21 . 17398 1 340 . 1 1 32 32 THR HG22 H 1 1.069 0.004 . . . . . A 76 THR HG22 . 17398 1 341 . 1 1 32 32 THR HG23 H 1 1.069 0.004 . . . . . A 76 THR HG23 . 17398 1 342 . 1 1 32 32 THR C C 13 173.831 0.000 . 1 . . . A 76 THR C . 17398 1 343 . 1 1 32 32 THR CA C 13 60.742 0.103 . 1 . . . A 76 THR CA . 17398 1 344 . 1 1 32 32 THR CB C 13 70.426 0.067 . 1 . . . A 76 THR CB . 17398 1 345 . 1 1 32 32 THR CG2 C 13 21.444 0.049 . 1 . . . A 76 THR CG2 . 17398 1 346 . 1 1 32 32 THR N N 15 116.845 0.064 . 1 . . . A 76 THR N . 17398 1 347 . 1 1 33 33 LYS H H 1 8.508 0.006 . 1 . . . A 77 LYS H . 17398 1 348 . 1 1 33 33 LYS HA H 1 4.327 0.006 . 1 . . . A 77 LYS HA . 17398 1 349 . 1 1 33 33 LYS HB2 H 1 1.662 0.009 . 2 . . . A 77 LYS HB2 . 17398 1 350 . 1 1 33 33 LYS HB3 H 1 1.769 0.008 . 2 . . . A 77 LYS HB3 . 17398 1 351 . 1 1 33 33 LYS HG2 H 1 1.302 0.004 . 2 . . . A 77 LYS HG2 . 17398 1 352 . 1 1 33 33 LYS HG3 H 1 1.302 0.004 . 2 . . . A 77 LYS HG3 . 17398 1 353 . 1 1 33 33 LYS HD2 H 1 1.577 0.011 . 2 . . . A 77 LYS HD2 . 17398 1 354 . 1 1 33 33 LYS HD3 H 1 1.577 0.011 . 2 . . . A 77 LYS HD3 . 17398 1 355 . 1 1 33 33 LYS HE2 H 1 2.875 0.003 . 2 . . . A 77 LYS HE2 . 17398 1 356 . 1 1 33 33 LYS HE3 H 1 2.875 0.003 . 2 . . . A 77 LYS HE3 . 17398 1 357 . 1 1 33 33 LYS C C 13 176.252 0.000 . 1 . . . A 77 LYS C . 17398 1 358 . 1 1 33 33 LYS CA C 13 56.336 0.087 . 1 . . . A 77 LYS CA . 17398 1 359 . 1 1 33 33 LYS CB C 13 33.083 0.144 . 1 . . . A 77 LYS CB . 17398 1 360 . 1 1 33 33 LYS CG C 13 24.706 0.033 . 1 . . . A 77 LYS CG . 17398 1 361 . 1 1 33 33 LYS CD C 13 28.939 0.086 . 1 . . . A 77 LYS CD . 17398 1 362 . 1 1 33 33 LYS N N 15 123.577 0.020 . 1 . . . A 77 LYS N . 17398 1 363 . 1 1 34 34 ASP H H 1 8.354 0.007 . 1 . . . A 78 ASP H . 17398 1 364 . 1 1 34 34 ASP HA H 1 4.596 0.006 . 1 . . . A 78 ASP HA . 17398 1 365 . 1 1 34 34 ASP HB2 H 1 2.663 0.005 . 2 . . . A 78 ASP HB2 . 17398 1 366 . 1 1 34 34 ASP HB3 H 1 2.663 0.005 . 2 . . . A 78 ASP HB3 . 17398 1 367 . 1 1 34 34 ASP C C 13 176.341 0.000 . 1 . . . A 78 ASP C . 17398 1 368 . 1 1 34 34 ASP CA C 13 54.175 0.077 . 1 . . . A 78 ASP CA . 17398 1 369 . 1 1 34 34 ASP CB C 13 41.433 0.040 . 1 . . . A 78 ASP CB . 17398 1 370 . 1 1 34 34 ASP N N 15 121.901 0.043 . 1 . . . A 78 ASP N . 17398 1 371 . 1 1 35 35 SER H H 1 8.272 0.004 . 1 . . . A 79 SER H . 17398 1 372 . 1 1 35 35 SER HA H 1 4.340 0.007 . 1 . . . A 79 SER HA . 17398 1 373 . 1 1 35 35 SER HB2 H 1 3.858 0.008 . 2 . . . A 79 SER HB2 . 17398 1 374 . 1 1 35 35 SER HB3 H 1 3.858 0.008 . 2 . . . A 79 SER HB3 . 17398 1 375 . 1 1 35 35 SER C C 13 174.660 0.000 . 1 . . . A 79 SER C . 17398 1 376 . 1 1 35 35 SER CA C 13 58.923 0.102 . 1 . . . A 79 SER CA . 17398 1 377 . 1 1 35 35 SER CB C 13 63.670 0.116 . 1 . . . A 79 SER CB . 17398 1 378 . 1 1 35 35 SER N N 15 116.317 0.055 . 1 . . . A 79 SER N . 17398 1 379 . 1 1 36 36 LEU H H 1 8.239 0.006 . 1 . . . A 80 LEU H . 17398 1 380 . 1 1 36 36 LEU HA H 1 4.318 0.008 . 1 . . . A 80 LEU HA . 17398 1 381 . 1 1 36 36 LEU HB2 H 1 1.582 0.007 . 2 . . . A 80 LEU HB2 . 17398 1 382 . 1 1 36 36 LEU HB3 H 1 1.682 0.006 . 2 . . . A 80 LEU HB3 . 17398 1 383 . 1 1 36 36 LEU HD11 H 1 0.859 0.010 . . . . . A 80 LEU HD11 . 17398 1 384 . 1 1 36 36 LEU HD12 H 1 0.859 0.010 . . . . . A 80 LEU HD12 . 17398 1 385 . 1 1 36 36 LEU HD13 H 1 0.859 0.010 . . . . . A 80 LEU HD13 . 17398 1 386 . 1 1 36 36 LEU C C 13 177.332 0.000 . 1 . . . A 80 LEU C . 17398 1 387 . 1 1 36 36 LEU CA C 13 55.442 0.090 . 1 . . . A 80 LEU CA . 17398 1 388 . 1 1 36 36 LEU CB C 13 42.056 0.075 . 1 . . . A 80 LEU CB . 17398 1 389 . 1 1 36 36 LEU CG C 13 27.078 0.000 . 1 . . . A 80 LEU CG . 17398 1 390 . 1 1 36 36 LEU CD1 C 13 24.852 0.047 . 2 . . . A 80 LEU CD1 . 17398 1 391 . 1 1 36 36 LEU CD2 C 13 23.299 0.053 . 2 . . . A 80 LEU CD2 . 17398 1 392 . 1 1 36 36 LEU N N 15 122.253 0.033 . 1 . . . A 80 LEU N . 17398 1 393 . 1 1 37 37 ASN H H 1 8.177 0.008 . 1 . . . A 81 ASN H . 17398 1 394 . 1 1 37 37 ASN HA H 1 4.708 0.005 . 1 . . . A 81 ASN HA . 17398 1 395 . 1 1 37 37 ASN HB2 H 1 2.729 0.007 . 2 . . . A 81 ASN HB2 . 17398 1 396 . 1 1 37 37 ASN HB3 H 1 2.874 0.004 . 2 . . . A 81 ASN HB3 . 17398 1 397 . 1 1 37 37 ASN HD21 H 1 6.912 0.010 . 2 . . . A 81 ASN HD21 . 17398 1 398 . 1 1 37 37 ASN HD22 H 1 7.672 0.007 . 2 . . . A 81 ASN HD22 . 17398 1 399 . 1 1 37 37 ASN C C 13 175.559 0.000 . 1 . . . A 81 ASN C . 17398 1 400 . 1 1 37 37 ASN CA C 13 53.283 0.109 . 1 . . . A 81 ASN CA . 17398 1 401 . 1 1 37 37 ASN CB C 13 38.738 0.080 . 1 . . . A 81 ASN CB . 17398 1 402 . 1 1 37 37 ASN N N 15 118.101 0.034 . 1 . . . A 81 ASN N . 17398 1 403 . 1 1 37 37 ASN ND2 N 15 113.106 0.093 . 1 . . . A 81 ASN ND2 . 17398 1 404 . 1 1 38 38 THR H H 1 8.187 0.006 . 1 . . . A 82 THR H . 17398 1 405 . 1 1 38 38 THR HA H 1 4.502 0.003 . 1 . . . A 82 THR HA . 17398 1 406 . 1 1 38 38 THR HB H 1 4.263 0.012 . 1 . . . A 82 THR HB . 17398 1 407 . 1 1 38 38 THR HG21 H 1 1.188 0.010 . . . . . A 82 THR HG21 . 17398 1 408 . 1 1 38 38 THR HG22 H 1 1.188 0.010 . . . . . A 82 THR HG22 . 17398 1 409 . 1 1 38 38 THR HG23 H 1 1.188 0.010 . . . . . A 82 THR HG23 . 17398 1 410 . 1 1 38 38 THR C C 13 174.796 0.000 . 1 . . . A 82 THR C . 17398 1 411 . 1 1 38 38 THR CA C 13 62.530 0.138 . 1 . . . A 82 THR CA . 17398 1 412 . 1 1 38 38 THR CB C 13 69.480 0.112 . 1 . . . A 82 THR CB . 17398 1 413 . 1 1 38 38 THR CG2 C 13 21.545 0.079 . . . . . A 82 THR CG2 . 17398 1 414 . 1 1 38 38 THR N N 15 113.818 0.030 . 1 . . . A 82 THR N . 17398 1 415 . 1 1 39 39 ASN H H 1 8.448 0.006 . 1 . . . A 83 ASN H . 17398 1 416 . 1 1 39 39 ASN HA H 1 4.731 0.005 . 1 . . . A 83 ASN HA . 17398 1 417 . 1 1 39 39 ASN HB2 H 1 2.825 0.009 . 2 . . . A 83 ASN HB2 . 17398 1 418 . 1 1 39 39 ASN HB3 H 1 2.825 0.009 . 2 . . . A 83 ASN HB3 . 17398 1 419 . 1 1 39 39 ASN HD21 H 1 6.928 0.007 . 2 . . . A 83 ASN HD21 . 17398 1 420 . 1 1 39 39 ASN HD22 H 1 7.617 0.007 . 2 . . . A 83 ASN HD22 . 17398 1 421 . 1 1 39 39 ASN C C 13 175.302 0.000 . 1 . . . A 83 ASN C . 17398 1 422 . 1 1 39 39 ASN CA C 13 53.411 0.088 . 1 . . . A 83 ASN CA . 17398 1 423 . 1 1 39 39 ASN CB C 13 38.586 0.073 . 1 . . . A 83 ASN CB . 17398 1 424 . 1 1 39 39 ASN N N 15 119.960 0.035 . 1 . . . A 83 ASN N . 17398 1 425 . 1 1 39 39 ASN ND2 N 15 113.007 0.064 . 1 . . . A 83 ASN ND2 . 17398 1 426 . 1 1 40 40 SER H H 1 8.119 0.005 . 1 . . . A 84 SER H . 17398 1 427 . 1 1 40 40 SER HA H 1 4.434 0.005 . 1 . . . A 84 SER HA . 17398 1 428 . 1 1 40 40 SER HB2 H 1 3.868 0.005 . 2 . . . A 84 SER HB2 . 17398 1 429 . 1 1 40 40 SER HB3 H 1 3.868 0.005 . 2 . . . A 84 SER HB3 . 17398 1 430 . 1 1 40 40 SER C C 13 174.692 0.000 . 1 . . . A 84 SER C . 17398 1 431 . 1 1 40 40 SER CA C 13 58.585 0.068 . 1 . . . A 84 SER CA . 17398 1 432 . 1 1 40 40 SER CB C 13 63.783 0.086 . 1 . . . A 84 SER CB . 17398 1 433 . 1 1 40 40 SER N N 15 115.345 0.048 . 1 . . . A 84 SER N . 17398 1 434 . 1 1 41 41 SER H H 1 8.314 0.005 . 1 . . . A 85 SER H . 17398 1 435 . 1 1 41 41 SER HA H 1 4.425 0.008 . 1 . . . A 85 SER HA . 17398 1 436 . 1 1 41 41 SER HB2 H 1 3.830 0.011 . 2 . . . A 85 SER HB2 . 17398 1 437 . 1 1 41 41 SER HB3 H 1 3.830 0.011 . 2 . . . A 85 SER HB3 . 17398 1 438 . 1 1 41 41 SER C C 13 174.274 0.000 . 1 . . . A 85 SER C . 17398 1 439 . 1 1 41 41 SER CA C 13 58.619 0.085 . 1 . . . A 85 SER CA . 17398 1 440 . 1 1 41 41 SER CB C 13 63.685 0.103 . 1 . . . A 85 SER CB . 17398 1 441 . 1 1 41 41 SER N N 15 117.738 0.058 . 1 . . . A 85 SER N . 17398 1 442 . 1 1 42 42 PHE H H 1 8.130 0.006 . 1 . . . A 86 PHE H . 17398 1 443 . 1 1 42 42 PHE HA H 1 4.737 0.006 . 1 . . . A 86 PHE HA . 17398 1 444 . 1 1 42 42 PHE HB2 H 1 3.090 0.006 . 2 . . . A 86 PHE HB2 . 17398 1 445 . 1 1 42 42 PHE HB3 H 1 2.989 0.005 . 2 . . . A 86 PHE HB3 . 17398 1 446 . 1 1 42 42 PHE HD1 H 1 7.172 0.007 . 3 . . . A 86 PHE HD1 . 17398 1 447 . 1 1 42 42 PHE HD2 H 1 7.172 0.007 . 3 . . . A 86 PHE HD2 . 17398 1 448 . 1 1 42 42 PHE HE1 H 1 7.305 0.011 . 3 . . . A 86 PHE HE1 . 17398 1 449 . 1 1 42 42 PHE HE2 H 1 7.305 0.011 . 3 . . . A 86 PHE HE2 . 17398 1 450 . 1 1 42 42 PHE C C 13 175.398 0.000 . 1 . . . A 86 PHE C . 17398 1 451 . 1 1 42 42 PHE CA C 13 57.759 0.105 . 1 . . . A 86 PHE CA . 17398 1 452 . 1 1 42 42 PHE CB C 13 39.851 0.071 . 1 . . . A 86 PHE CB . 17398 1 453 . 1 1 42 42 PHE N N 15 120.323 0.047 . 1 . . . A 86 PHE N . 17398 1 454 . 1 1 43 43 ASN H H 1 8.510 0.006 . 1 . . . A 87 ASN H . 17398 1 455 . 1 1 43 43 ASN HA H 1 4.870 0.008 . 1 . . . A 87 ASN HA . 17398 1 456 . 1 1 43 43 ASN HB2 H 1 2.702 0.007 . 2 . . . A 87 ASN HB2 . 17398 1 457 . 1 1 43 43 ASN HB3 H 1 2.764 0.006 . 2 . . . A 87 ASN HB3 . 17398 1 458 . 1 1 43 43 ASN HD21 H 1 6.939 0.005 . 2 . . . A 87 ASN HD21 . 17398 1 459 . 1 1 43 43 ASN HD22 H 1 7.557 0.003 . 2 . . . A 87 ASN HD22 . 17398 1 460 . 1 1 43 43 ASN C C 13 174.137 0.000 . 1 . . . A 87 ASN C . 17398 1 461 . 1 1 43 43 ASN CA C 13 52.797 0.098 . 1 . . . A 87 ASN CA . 17398 1 462 . 1 1 43 43 ASN CB C 13 39.766 0.037 . 1 . . . A 87 ASN CB . 17398 1 463 . 1 1 43 43 ASN N N 15 119.878 0.031 . 1 . . . A 87 ASN N . 17398 1 464 . 1 1 43 43 ASN ND2 N 15 113.060 0.081 . 1 . . . A 87 ASN ND2 . 17398 1 465 . 1 1 44 44 VAL H H 1 7.940 0.008 . 1 . . . A 88 VAL H . 17398 1 466 . 1 1 44 44 VAL HA H 1 4.443 0.011 . 1 . . . A 88 VAL HA . 17398 1 467 . 1 1 44 44 VAL HB H 1 1.923 0.006 . 1 . . . A 88 VAL HB . 17398 1 468 . 1 1 44 44 VAL HG11 H 1 0.924 0.008 . . . . . A 88 VAL HG11 . 17398 1 469 . 1 1 44 44 VAL HG12 H 1 0.924 0.008 . . . . . A 88 VAL HG12 . 17398 1 470 . 1 1 44 44 VAL HG13 H 1 0.924 0.008 . . . . . A 88 VAL HG13 . 17398 1 471 . 1 1 44 44 VAL HG21 H 1 0.654 0.002 . . . . . A 88 VAL HG21 . 17398 1 472 . 1 1 44 44 VAL HG22 H 1 0.654 0.002 . . . . . A 88 VAL HG22 . 17398 1 473 . 1 1 44 44 VAL HG23 H 1 0.654 0.002 . . . . . A 88 VAL HG23 . 17398 1 474 . 1 1 44 44 VAL C C 13 174.647 0.000 . 1 . . . A 88 VAL C . 17398 1 475 . 1 1 44 44 VAL CA C 13 62.100 0.112 . 1 . . . A 88 VAL CA . 17398 1 476 . 1 1 44 44 VAL CB C 13 33.438 0.094 . 1 . . . A 88 VAL CB . 17398 1 477 . 1 1 44 44 VAL CG1 C 13 21.677 0.039 . 2 . . . A 88 VAL CG1 . 17398 1 478 . 1 1 44 44 VAL CG2 C 13 21.536 0.015 . 2 . . . A 88 VAL CG2 . 17398 1 479 . 1 1 44 44 VAL N N 15 121.141 0.054 . 1 . . . A 88 VAL N . 17398 1 480 . 1 1 45 45 LEU H H 1 8.494 0.005 . 1 . . . A 89 LEU H . 17398 1 481 . 1 1 45 45 LEU HA H 1 5.057 0.008 . 1 . . . A 89 LEU HA . 17398 1 482 . 1 1 45 45 LEU HB2 H 1 1.587 0.007 . 2 . . . A 89 LEU HB2 . 17398 1 483 . 1 1 45 45 LEU HB3 H 1 1.587 0.007 . 2 . . . A 89 LEU HB3 . 17398 1 484 . 1 1 45 45 LEU HG H 1 0.682 0.005 . 1 . . . A 89 LEU HG . 17398 1 485 . 1 1 45 45 LEU HD11 H 1 0.781 0.004 . . . . . A 89 LEU HD11 . 17398 1 486 . 1 1 45 45 LEU HD12 H 1 0.781 0.004 . . . . . A 89 LEU HD12 . 17398 1 487 . 1 1 45 45 LEU HD13 H 1 0.781 0.004 . . . . . A 89 LEU HD13 . 17398 1 488 . 1 1 45 45 LEU C C 13 175.367 0.000 . 1 . . . A 89 LEU C . 17398 1 489 . 1 1 45 45 LEU CA C 13 53.166 0.082 . 1 . . . A 89 LEU CA . 17398 1 490 . 1 1 45 45 LEU CB C 13 47.139 0.117 . 1 . . . A 89 LEU CB . 17398 1 491 . 1 1 45 45 LEU CG C 13 25.570 0.091 . 1 . . . A 89 LEU CG . 17398 1 492 . 1 1 45 45 LEU CD1 C 13 24.093 0.072 . 2 . . . A 89 LEU CD1 . 17398 1 493 . 1 1 45 45 LEU N N 15 126.446 0.046 . 1 . . . A 89 LEU N . 17398 1 494 . 1 1 46 46 TYR H H 1 9.676 0.008 . 1 . . . A 90 TYR H . 17398 1 495 . 1 1 46 46 TYR HA H 1 5.217 0.005 . 1 . . . A 90 TYR HA . 17398 1 496 . 1 1 46 46 TYR HB3 H 1 2.542 0.012 . 2 . . . A 90 TYR HB3 . 17398 1 497 . 1 1 46 46 TYR HD1 H 1 7.013 0.006 . 3 . . . A 90 TYR HD1 . 17398 1 498 . 1 1 46 46 TYR HD2 H 1 7.013 0.006 . 3 . . . A 90 TYR HD2 . 17398 1 499 . 1 1 46 46 TYR HE1 H 1 6.733 0.012 . 3 . . . A 90 TYR HE1 . 17398 1 500 . 1 1 46 46 TYR HE2 H 1 6.733 0.012 . 3 . . . A 90 TYR HE2 . 17398 1 501 . 1 1 46 46 TYR HH H 1 8.343 0.000 . 1 . . . A 90 TYR HH . 17398 1 502 . 1 1 46 46 TYR C C 13 174.330 0.000 . 1 . . . A 90 TYR C . 17398 1 503 . 1 1 46 46 TYR CA C 13 56.305 0.074 . 1 . . . A 90 TYR CA . 17398 1 504 . 1 1 46 46 TYR CB C 13 40.454 0.097 . 1 . . . A 90 TYR CB . 17398 1 505 . 1 1 46 46 TYR N N 15 119.342 0.057 . 1 . . . A 90 TYR N . 17398 1 506 . 1 1 47 47 LYS H H 1 8.659 0.007 . 1 . . . A 91 LYS H . 17398 1 507 . 1 1 47 47 LYS HA H 1 4.258 0.010 . 1 . . . A 91 LYS HA . 17398 1 508 . 1 1 47 47 LYS HB2 H 1 1.783 0.004 . 2 . . . A 91 LYS HB2 . 17398 1 509 . 1 1 47 47 LYS HB3 H 1 1.783 0.004 . 2 . . . A 91 LYS HB3 . 17398 1 510 . 1 1 47 47 LYS HE2 H 1 3.174 0.012 . 2 . . . A 91 LYS HE2 . 17398 1 511 . 1 1 47 47 LYS HE3 H 1 3.174 0.012 . 2 . . . A 91 LYS HE3 . 17398 1 512 . 1 1 47 47 LYS CA C 13 55.056 0.128 . 1 . . . A 91 LYS CA . 17398 1 513 . 1 1 47 47 LYS CB C 13 32.047 0.079 . 1 . . . A 91 LYS CB . 17398 1 514 . 1 1 47 47 LYS N N 15 126.448 0.059 . 1 . . . A 91 LYS N . 17398 1 515 . 1 1 48 48 VAL HA H 1 5.031 0.007 . 1 . . . A 92 VAL HA . 17398 1 516 . 1 1 48 48 VAL HB H 1 1.495 0.005 . 1 . . . A 92 VAL HB . 17398 1 517 . 1 1 48 48 VAL HG21 H 1 0.162 0.013 . . . . . A 92 VAL HG21 . 17398 1 518 . 1 1 48 48 VAL HG22 H 1 0.162 0.013 . . . . . A 92 VAL HG22 . 17398 1 519 . 1 1 48 48 VAL HG23 H 1 0.162 0.013 . . . . . A 92 VAL HG23 . 17398 1 520 . 1 1 48 48 VAL C C 13 173.169 0.000 . 1 . . . A 92 VAL C . 17398 1 521 . 1 1 48 48 VAL CA C 13 57.653 0.052 . 1 . . . A 92 VAL CA . 17398 1 522 . 1 1 48 48 VAL CB C 13 34.109 0.047 . 1 . . . A 92 VAL CB . 17398 1 523 . 1 1 48 48 VAL CG1 C 13 22.037 0.039 . 2 . . . A 92 VAL CG1 . 17398 1 524 . 1 1 48 48 VAL CG2 C 13 17.903 0.024 . 2 . . . A 92 VAL CG2 . 17398 1 525 . 1 1 49 49 LEU H H 1 8.352 0.005 . 1 . . . A 93 LEU H . 17398 1 526 . 1 1 49 49 LEU HA H 1 4.908 0.005 . 1 . . . A 93 LEU HA . 17398 1 527 . 1 1 49 49 LEU HB2 H 1 1.185 0.004 . 2 . . . A 93 LEU HB2 . 17398 1 528 . 1 1 49 49 LEU HB3 H 1 1.316 0.007 . 2 . . . A 93 LEU HB3 . 17398 1 529 . 1 1 49 49 LEU HG H 1 0.810 0.006 . 1 . . . A 93 LEU HG . 17398 1 530 . 1 1 49 49 LEU HD11 H 1 0.602 0.010 . . . . . A 93 LEU HD11 . 17398 1 531 . 1 1 49 49 LEU HD12 H 1 0.602 0.010 . . . . . A 93 LEU HD12 . 17398 1 532 . 1 1 49 49 LEU HD13 H 1 0.602 0.010 . . . . . A 93 LEU HD13 . 17398 1 533 . 1 1 49 49 LEU C C 13 176.204 0.000 . 1 . . . A 93 LEU C . 17398 1 534 . 1 1 49 49 LEU CA C 13 51.635 0.085 . 1 . . . A 93 LEU CA . 17398 1 535 . 1 1 49 49 LEU CB C 13 45.159 0.127 . 1 . . . A 93 LEU CB . 17398 1 536 . 1 1 49 49 LEU CG C 13 25.432 0.087 . 1 . . . A 93 LEU CG . 17398 1 537 . 1 1 49 49 LEU CD1 C 13 23.848 0.106 . 2 . . . A 93 LEU CD1 . 17398 1 538 . 1 1 49 49 LEU N N 15 118.870 0.038 . 1 . . . A 93 LEU N . 17398 1 539 . 1 1 50 50 PHE H H 1 8.664 0.004 . 1 . . . A 94 PHE H . 17398 1 540 . 1 1 50 50 PHE HA H 1 4.627 0.007 . 1 . . . A 94 PHE HA . 17398 1 541 . 1 1 50 50 PHE HB2 H 1 2.983 0.008 . 2 . . . A 94 PHE HB2 . 17398 1 542 . 1 1 50 50 PHE HB3 H 1 2.983 0.008 . 2 . . . A 94 PHE HB3 . 17398 1 543 . 1 1 50 50 PHE HD1 H 1 7.015 0.016 . 3 . . . A 94 PHE HD1 . 17398 1 544 . 1 1 50 50 PHE HD2 H 1 7.015 0.016 . 3 . . . A 94 PHE HD2 . 17398 1 545 . 1 1 50 50 PHE HE1 H 1 6.833 0.010 . 3 . . . A 94 PHE HE1 . 17398 1 546 . 1 1 50 50 PHE HE2 H 1 6.833 0.010 . 3 . . . A 94 PHE HE2 . 17398 1 547 . 1 1 50 50 PHE C C 13 176.994 0.000 . 1 . . . A 94 PHE C . 17398 1 548 . 1 1 50 50 PHE CA C 13 58.844 0.111 . 1 . . . A 94 PHE CA . 17398 1 549 . 1 1 50 50 PHE CB C 13 39.624 0.082 . 1 . . . A 94 PHE CB . 17398 1 550 . 1 1 50 50 PHE N N 15 120.830 0.059 . 1 . . . A 94 PHE N . 17398 1 551 . 1 1 51 51 PHE H H 1 8.626 0.008 . 1 . . . A 95 PHE H . 17398 1 552 . 1 1 51 51 PHE HA H 1 4.530 0.002 . 1 . . . A 95 PHE HA . 17398 1 553 . 1 1 51 51 PHE HB2 H 1 2.735 0.003 . 2 . . . A 95 PHE HB2 . 17398 1 554 . 1 1 51 51 PHE HB3 H 1 2.735 0.003 . 2 . . . A 95 PHE HB3 . 17398 1 555 . 1 1 51 51 PHE HD1 H 1 7.027 0.010 . 3 . . . A 95 PHE HD1 . 17398 1 556 . 1 1 51 51 PHE HD2 H 1 7.027 0.010 . 3 . . . A 95 PHE HD2 . 17398 1 557 . 1 1 51 51 PHE HE1 H 1 7.130 0.014 . 3 . . . A 95 PHE HE1 . 17398 1 558 . 1 1 51 51 PHE HE2 H 1 7.130 0.014 . 3 . . . A 95 PHE HE2 . 17398 1 559 . 1 1 51 51 PHE CA C 13 57.215 0.048 . 1 . . . A 95 PHE CA . 17398 1 560 . 1 1 51 51 PHE CB C 13 40.350 0.000 . 1 . . . A 95 PHE CB . 17398 1 561 . 1 1 51 51 PHE N N 15 119.041 0.110 . 1 . . . A 95 PHE N . 17398 1 562 . 1 1 52 52 PRO HA H 1 4.501 0.010 . 1 . . . A 96 PRO HA . 17398 1 563 . 1 1 52 52 PRO HB2 H 1 2.132 0.021 . 2 . . . A 96 PRO HB2 . 17398 1 564 . 1 1 52 52 PRO HB3 H 1 1.612 0.008 . 2 . . . A 96 PRO HB3 . 17398 1 565 . 1 1 52 52 PRO HG2 H 1 1.681 0.014 . 2 . . . A 96 PRO HG2 . 17398 1 566 . 1 1 52 52 PRO HG3 H 1 1.681 0.014 . 2 . . . A 96 PRO HG3 . 17398 1 567 . 1 1 52 52 PRO HD2 H 1 3.657 0.000 . 2 . . . A 96 PRO HD2 . 17398 1 568 . 1 1 52 52 PRO HD3 H 1 3.657 0.000 . 2 . . . A 96 PRO HD3 . 17398 1 569 . 1 1 52 52 PRO CA C 13 62.412 0.070 . 1 . . . A 96 PRO CA . 17398 1 570 . 1 1 52 52 PRO CB C 13 31.991 0.083 . 1 . . . A 96 PRO CB . 17398 1 571 . 1 1 52 52 PRO CG C 13 26.893 0.057 . 1 . . . A 96 PRO CG . 17398 1 572 . 1 1 52 52 PRO CD C 13 50.253 0.000 . 1 . . . A 96 PRO CD . 17398 1 573 . 1 1 53 53 ASP H H 1 8.453 0.008 . 1 . . . A 97 ASP H . 17398 1 574 . 1 1 53 53 ASP HA H 1 4.520 0.004 . 1 . . . A 97 ASP HA . 17398 1 575 . 1 1 53 53 ASP HB2 H 1 2.609 0.009 . 2 . . . A 97 ASP HB2 . 17398 1 576 . 1 1 53 53 ASP HB3 H 1 2.796 0.038 . 2 . . . A 97 ASP HB3 . 17398 1 577 . 1 1 53 53 ASP C C 13 175.605 0.000 . 1 . . . A 97 ASP C . 17398 1 578 . 1 1 53 53 ASP CA C 13 55.323 0.110 . 1 . . . A 97 ASP CA . 17398 1 579 . 1 1 53 53 ASP CB C 13 40.666 0.179 . 1 . . . A 97 ASP CB . 17398 1 580 . 1 1 53 53 ASP N N 15 119.634 0.089 . 1 . . . A 97 ASP N . 17398 1 581 . 1 1 54 54 PHE H H 1 8.483 0.005 . 1 . . . A 98 PHE H . 17398 1 582 . 1 1 54 54 PHE HA H 1 4.177 0.008 . 1 . . . A 98 PHE HA . 17398 1 583 . 1 1 54 54 PHE HB2 H 1 3.136 0.005 . 2 . . . A 98 PHE HB2 . 17398 1 584 . 1 1 54 54 PHE HB3 H 1 3.136 0.005 . 2 . . . A 98 PHE HB3 . 17398 1 585 . 1 1 54 54 PHE HD1 H 1 6.694 0.008 . 3 . . . A 98 PHE HD1 . 17398 1 586 . 1 1 54 54 PHE HD2 H 1 6.694 0.008 . 3 . . . A 98 PHE HD2 . 17398 1 587 . 1 1 54 54 PHE HE1 H 1 7.138 0.014 . 3 . . . A 98 PHE HE1 . 17398 1 588 . 1 1 54 54 PHE HE2 H 1 7.138 0.014 . 3 . . . A 98 PHE HE2 . 17398 1 589 . 1 1 54 54 PHE HZ H 1 6.632 0.002 . 1 . . . A 98 PHE HZ . 17398 1 590 . 1 1 54 54 PHE C C 13 175.230 0.000 . 1 . . . A 98 PHE C . 17398 1 591 . 1 1 54 54 PHE CA C 13 58.696 0.143 . 1 . . . A 98 PHE CA . 17398 1 592 . 1 1 54 54 PHE CB C 13 34.216 0.058 . 1 . . . A 98 PHE CB . 17398 1 593 . 1 1 54 54 PHE N N 15 114.428 0.070 . 1 . . . A 98 PHE N . 17398 1 594 . 1 1 55 55 ASN H H 1 8.365 0.011 . 1 . . . A 99 ASN H . 17398 1 595 . 1 1 55 55 ASN HA H 1 4.689 0.006 . 1 . . . A 99 ASN HA . 17398 1 596 . 1 1 55 55 ASN HB2 H 1 2.652 0.007 . 2 . . . A 99 ASN HB2 . 17398 1 597 . 1 1 55 55 ASN HB3 H 1 2.652 0.007 . 2 . . . A 99 ASN HB3 . 17398 1 598 . 1 1 55 55 ASN HD21 H 1 6.627 0.008 . 2 . . . A 99 ASN HD21 . 17398 1 599 . 1 1 55 55 ASN HD22 H 1 7.602 0.003 . 2 . . . A 99 ASN HD22 . 17398 1 600 . 1 1 55 55 ASN C C 13 174.223 0.000 . 1 . . . A 99 ASN C . 17398 1 601 . 1 1 55 55 ASN CA C 13 53.780 0.078 . 1 . . . A 99 ASN CA . 17398 1 602 . 1 1 55 55 ASN CB C 13 37.186 0.082 . 1 . . . A 99 ASN CB . 17398 1 603 . 1 1 55 55 ASN N N 15 112.673 0.094 . 1 . . . A 99 ASN N . 17398 1 604 . 1 1 55 55 ASN ND2 N 15 116.352 0.061 . 1 . . . A 99 ASN ND2 . 17398 1 605 . 1 1 56 56 PHE H H 1 8.089 0.008 . 1 . . . A 100 PHE H . 17398 1 606 . 1 1 56 56 PHE HA H 1 4.274 0.014 . 1 . . . A 100 PHE HA . 17398 1 607 . 1 1 56 56 PHE HB2 H 1 2.721 0.015 . 2 . . . A 100 PHE HB2 . 17398 1 608 . 1 1 56 56 PHE HB3 H 1 2.865 0.015 . 2 . . . A 100 PHE HB3 . 17398 1 609 . 1 1 56 56 PHE HD1 H 1 6.908 0.009 . . . . . A 100 PHE HD1 . 17398 1 610 . 1 1 56 56 PHE HD2 H 1 6.182 0.007 . 3 . . . A 100 PHE HD2 . 17398 1 611 . 1 1 56 56 PHE HE1 H 1 7.380 0.014 . 3 . . . A 100 PHE HE1 . 17398 1 612 . 1 1 56 56 PHE HE2 H 1 7.380 0.014 . 3 . . . A 100 PHE HE2 . 17398 1 613 . 1 1 56 56 PHE HZ H 1 6.424 0.084 . 1 . . . A 100 PHE HZ . 17398 1 614 . 1 1 56 56 PHE C C 13 175.123 0.000 . 1 . . . A 100 PHE C . 17398 1 615 . 1 1 56 56 PHE CA C 13 55.280 0.140 . 1 . . . A 100 PHE CA . 17398 1 616 . 1 1 56 56 PHE CB C 13 44.026 0.094 . 1 . . . A 100 PHE CB . 17398 1 617 . 1 1 56 56 PHE N N 15 117.201 0.070 . 1 . . . A 100 PHE N . 17398 1 618 . 1 1 57 57 ALA H H 1 8.298 0.008 . 1 . . . A 101 ALA H . 17398 1 619 . 1 1 57 57 ALA HA H 1 4.452 0.005 . 1 . . . A 101 ALA HA . 17398 1 620 . 1 1 57 57 ALA HB1 H 1 1.377 0.008 . 1 . . . A 101 ALA HB1 . 17398 1 621 . 1 1 57 57 ALA HB2 H 1 1.377 0.008 . 1 . . . A 101 ALA HB2 . 17398 1 622 . 1 1 57 57 ALA HB3 H 1 1.377 0.008 . 1 . . . A 101 ALA HB3 . 17398 1 623 . 1 1 57 57 ALA C C 13 174.379 0.000 . 1 . . . A 101 ALA C . 17398 1 624 . 1 1 57 57 ALA CA C 13 51.566 0.105 . 1 . . . A 101 ALA CA . 17398 1 625 . 1 1 57 57 ALA CB C 13 23.274 0.173 . 1 . . . A 101 ALA CB . 17398 1 626 . 1 1 57 57 ALA N N 15 120.096 0.096 . 1 . . . A 101 ALA N . 17398 1 627 . 1 1 58 58 TRP H H 1 8.645 0.009 . 1 . . . A 102 TRP H . 17398 1 628 . 1 1 58 58 TRP HA H 1 5.682 0.088 . 1 . . . A 102 TRP HA . 17398 1 629 . 1 1 58 58 TRP HB2 H 1 2.969 0.009 . 2 . . . A 102 TRP HB2 . 17398 1 630 . 1 1 58 58 TRP HB3 H 1 3.120 0.011 . 2 . . . A 102 TRP HB3 . 17398 1 631 . 1 1 58 58 TRP HD1 H 1 7.430 0.016 . 1 . . . A 102 TRP HD1 . 17398 1 632 . 1 1 58 58 TRP HE1 H 1 10.398 0.003 . 1 . . . A 102 TRP HE1 . 17398 1 633 . 1 1 58 58 TRP HE3 H 1 7.165 0.007 . 1 . . . A 102 TRP HE3 . 17398 1 634 . 1 1 58 58 TRP HZ2 H 1 6.915 0.003 . 1 . . . A 102 TRP HZ2 . 17398 1 635 . 1 1 58 58 TRP C C 13 177.048 0.000 . 1 . . . A 102 TRP C . 17398 1 636 . 1 1 58 58 TRP CA C 13 56.165 0.113 . 1 . . . A 102 TRP CA . 17398 1 637 . 1 1 58 58 TRP CB C 13 30.650 0.091 . 1 . . . A 102 TRP CB . 17398 1 638 . 1 1 58 58 TRP N N 15 119.959 0.088 . 1 . . . A 102 TRP N . 17398 1 639 . 1 1 58 58 TRP NE1 N 15 129.349 0.036 . . . . . A 102 TRP NE1 . 17398 1 640 . 1 1 59 59 VAL H H 1 9.707 0.005 . 1 . . . A 103 VAL H . 17398 1 641 . 1 1 59 59 VAL HA H 1 4.983 0.007 . 1 . . . A 103 VAL HA . 17398 1 642 . 1 1 59 59 VAL HB H 1 2.394 0.007 . 1 . . . A 103 VAL HB . 17398 1 643 . 1 1 59 59 VAL HG11 H 1 0.794 0.007 . . . . . A 103 VAL HG11 . 17398 1 644 . 1 1 59 59 VAL HG12 H 1 0.794 0.007 . . . . . A 103 VAL HG12 . 17398 1 645 . 1 1 59 59 VAL HG13 H 1 0.794 0.007 . . . . . A 103 VAL HG13 . 17398 1 646 . 1 1 59 59 VAL HG21 H 1 0.731 0.014 . . . . . A 103 VAL HG21 . 17398 1 647 . 1 1 59 59 VAL HG22 H 1 0.731 0.014 . . . . . A 103 VAL HG22 . 17398 1 648 . 1 1 59 59 VAL HG23 H 1 0.731 0.014 . . . . . A 103 VAL HG23 . 17398 1 649 . 1 1 59 59 VAL C C 13 175.629 0.000 . 1 . . . A 103 VAL C . 17398 1 650 . 1 1 59 59 VAL CA C 13 58.942 0.100 . 1 . . . A 103 VAL CA . 17398 1 651 . 1 1 59 59 VAL CB C 13 35.895 0.124 . 1 . . . A 103 VAL CB . 17398 1 652 . 1 1 59 59 VAL CG1 C 13 21.375 0.044 . 2 . . . A 103 VAL CG1 . 17398 1 653 . 1 1 59 59 VAL CG2 C 13 19.283 0.073 . 2 . . . A 103 VAL CG2 . 17398 1 654 . 1 1 59 59 VAL N N 15 117.095 0.050 . 1 . . . A 103 VAL N . 17398 1 655 . 1 1 60 60 LYS H H 1 8.637 0.010 . 1 . . . A 104 LYS H . 17398 1 656 . 1 1 60 60 LYS HA H 1 4.756 0.006 . 1 . . . A 104 LYS HA . 17398 1 657 . 1 1 60 60 LYS HB2 H 1 1.898 0.013 . 2 . . . A 104 LYS HB2 . 17398 1 658 . 1 1 60 60 LYS HB3 H 1 2.201 0.013 . 2 . . . A 104 LYS HB3 . 17398 1 659 . 1 1 60 60 LYS C C 13 178.528 0.000 . 1 . . . A 104 LYS C . 17398 1 660 . 1 1 60 60 LYS CA C 13 56.312 0.110 . 1 . . . A 104 LYS CA . 17398 1 661 . 1 1 60 60 LYS CB C 13 33.994 0.068 . 1 . . . A 104 LYS CB . 17398 1 662 . 1 1 60 60 LYS N N 15 120.258 0.074 . 1 . . . A 104 LYS N . 17398 1 663 . 1 1 61 61 ARG H H 1 8.898 0.006 . 1 . . . A 105 ARG H . 17398 1 664 . 1 1 61 61 ARG HA H 1 3.840 0.007 . 1 . . . A 105 ARG HA . 17398 1 665 . 1 1 61 61 ARG HB2 H 1 1.974 0.002 . 2 . . . A 105 ARG HB2 . 17398 1 666 . 1 1 61 61 ARG HB3 H 1 2.045 0.003 . 2 . . . A 105 ARG HB3 . 17398 1 667 . 1 1 61 61 ARG HD2 H 1 3.037 0.001 . 2 . . . A 105 ARG HD2 . 17398 1 668 . 1 1 61 61 ARG HD3 H 1 3.037 0.001 . 2 . . . A 105 ARG HD3 . 17398 1 669 . 1 1 61 61 ARG C C 13 177.516 0.000 . 1 . . . A 105 ARG C . 17398 1 670 . 1 1 61 61 ARG CA C 13 58.778 0.105 . 1 . . . A 105 ARG CA . 17398 1 671 . 1 1 61 61 ARG CB C 13 30.052 0.034 . 1 . . . A 105 ARG CB . 17398 1 672 . 1 1 61 61 ARG N N 15 119.910 0.039 . 1 . . . A 105 ARG N . 17398 1 673 . 1 1 62 62 ASN H H 1 8.417 0.006 . 1 . . . A 106 ASN H . 17398 1 674 . 1 1 62 62 ASN HA H 1 4.776 0.011 . 1 . . . A 106 ASN HA . 17398 1 675 . 1 1 62 62 ASN HB2 H 1 2.962 0.005 . 2 . . . A 106 ASN HB2 . 17398 1 676 . 1 1 62 62 ASN HB3 H 1 3.096 0.013 . 2 . . . A 106 ASN HB3 . 17398 1 677 . 1 1 62 62 ASN HD21 H 1 7.655 0.001 . 2 . . . A 106 ASN HD21 . 17398 1 678 . 1 1 62 62 ASN HD22 H 1 6.885 0.004 . 2 . . . A 106 ASN HD22 . 17398 1 679 . 1 1 62 62 ASN C C 13 176.425 0.000 . 1 . . . A 106 ASN C . 17398 1 680 . 1 1 62 62 ASN CA C 13 54.489 0.112 . 1 . . . A 106 ASN CA . 17398 1 681 . 1 1 62 62 ASN CB C 13 36.988 0.071 . 1 . . . A 106 ASN CB . 17398 1 682 . 1 1 62 62 ASN N N 15 113.326 0.031 . 1 . . . A 106 ASN N . 17398 1 683 . 1 1 62 62 ASN ND2 N 15 111.861 0.052 . 1 . . . A 106 ASN ND2 . 17398 1 684 . 1 1 63 63 SER H H 1 8.151 0.006 . 1 . . . A 107 SER H . 17398 1 685 . 1 1 63 63 SER HA H 1 4.685 0.011 . 1 . . . A 107 SER HA . 17398 1 686 . 1 1 63 63 SER HB2 H 1 4.094 0.007 . 2 . . . A 107 SER HB2 . 17398 1 687 . 1 1 63 63 SER HB3 H 1 4.568 0.010 . 2 . . . A 107 SER HB3 . 17398 1 688 . 1 1 63 63 SER C C 13 171.291 0.000 . 1 . . . A 107 SER C . 17398 1 689 . 1 1 63 63 SER CA C 13 58.496 0.106 . 1 . . . A 107 SER CA . 17398 1 690 . 1 1 63 63 SER CB C 13 64.104 0.258 . 1 . . . A 107 SER CB . 17398 1 691 . 1 1 63 63 SER N N 15 116.739 0.039 . 1 . . . A 107 SER N . 17398 1 692 . 1 1 64 64 VAL H H 1 7.538 0.004 . 1 . . . A 108 VAL H . 17398 1 693 . 1 1 64 64 VAL HA H 1 5.455 0.006 . 1 . . . A 108 VAL HA . 17398 1 694 . 1 1 64 64 VAL HB H 1 1.937 0.008 . 1 . . . A 108 VAL HB . 17398 1 695 . 1 1 64 64 VAL HG11 H 1 0.698 0.002 . . . . . A 108 VAL HG11 . 17398 1 696 . 1 1 64 64 VAL HG12 H 1 0.698 0.002 . . . . . A 108 VAL HG12 . 17398 1 697 . 1 1 64 64 VAL HG13 H 1 0.698 0.002 . . . . . A 108 VAL HG13 . 17398 1 698 . 1 1 64 64 VAL HG21 H 1 0.684 0.004 . . . . . A 108 VAL HG21 . 17398 1 699 . 1 1 64 64 VAL HG22 H 1 0.684 0.004 . . . . . A 108 VAL HG22 . 17398 1 700 . 1 1 64 64 VAL HG23 H 1 0.684 0.004 . . . . . A 108 VAL HG23 . 17398 1 701 . 1 1 64 64 VAL C C 13 174.785 0.000 . 1 . . . A 108 VAL C . 17398 1 702 . 1 1 64 64 VAL CA C 13 60.539 0.109 . 1 . . . A 108 VAL CA . 17398 1 703 . 1 1 64 64 VAL CB C 13 35.124 0.090 . 1 . . . A 108 VAL CB . 17398 1 704 . 1 1 64 64 VAL CG1 C 13 21.463 0.023 . 2 . . . A 108 VAL CG1 . 17398 1 705 . 1 1 64 64 VAL CG2 C 13 23.138 0.131 . 2 . . . A 108 VAL CG2 . 17398 1 706 . 1 1 64 64 VAL N N 15 116.083 0.040 . 1 . . . A 108 VAL N . 17398 1 707 . 1 1 65 65 LYS H H 1 8.970 0.008 . 1 . . . A 109 LYS H . 17398 1 708 . 1 1 65 65 LYS HA H 1 4.985 0.000 . 1 . . . A 109 LYS HA . 17398 1 709 . 1 1 65 65 LYS HB2 H 1 1.657 0.004 . 2 . . . A 109 LYS HB2 . 17398 1 710 . 1 1 65 65 LYS HB3 H 1 1.657 0.004 . 2 . . . A 109 LYS HB3 . 17398 1 711 . 1 1 65 65 LYS CA C 13 54.164 0.136 . 1 . . . A 109 LYS CA . 17398 1 712 . 1 1 65 65 LYS CB C 13 34.017 0.095 . 1 . . . A 109 LYS CB . 17398 1 713 . 1 1 65 65 LYS N N 15 122.920 0.063 . 1 . . . A 109 LYS N . 17398 1 714 . 1 1 66 66 PRO HA H 1 4.400 0.006 . 1 . . . A 110 PRO HA . 17398 1 715 . 1 1 66 66 PRO HB2 H 1 2.408 0.006 . 2 . . . A 110 PRO HB2 . 17398 1 716 . 1 1 66 66 PRO HB3 H 1 1.732 0.009 . 2 . . . A 110 PRO HB3 . 17398 1 717 . 1 1 66 66 PRO HG2 H 1 1.885 0.012 . 2 . . . A 110 PRO HG2 . 17398 1 718 . 1 1 66 66 PRO HG3 H 1 2.074 0.003 . 2 . . . A 110 PRO HG3 . 17398 1 719 . 1 1 66 66 PRO HD2 H 1 3.574 0.008 . 2 . . . A 110 PRO HD2 . 17398 1 720 . 1 1 66 66 PRO HD3 H 1 3.776 0.007 . 2 . . . A 110 PRO HD3 . 17398 1 721 . 1 1 66 66 PRO C C 13 174.610 0.000 . 1 . . . A 110 PRO C . 17398 1 722 . 1 1 66 66 PRO CA C 13 63.917 0.102 . 1 . . . A 110 PRO CA . 17398 1 723 . 1 1 66 66 PRO CB C 13 32.500 0.104 . 1 . . . A 110 PRO CB . 17398 1 724 . 1 1 66 66 PRO CG C 13 27.983 0.105 . 1 . . . A 110 PRO CG . 17398 1 725 . 1 1 67 67 LEU H H 1 7.845 0.007 . 1 . . . A 111 LEU H . 17398 1 726 . 1 1 67 67 LEU HA H 1 4.764 0.011 . 1 . . . A 111 LEU HA . 17398 1 727 . 1 1 67 67 LEU HB2 H 1 1.060 0.010 . 2 . . . A 111 LEU HB2 . 17398 1 728 . 1 1 67 67 LEU HB3 H 1 1.478 0.014 . 2 . . . A 111 LEU HB3 . 17398 1 729 . 1 1 67 67 LEU HD21 H 1 0.526 0.002 . . . . . A 111 LEU HD21 . 17398 1 730 . 1 1 67 67 LEU HD22 H 1 0.526 0.002 . . . . . A 111 LEU HD22 . 17398 1 731 . 1 1 67 67 LEU HD23 H 1 0.526 0.002 . . . . . A 111 LEU HD23 . 17398 1 732 . 1 1 67 67 LEU C C 13 174.218 0.000 . 1 . . . A 111 LEU C . 17398 1 733 . 1 1 67 67 LEU CA C 13 53.165 0.102 . 1 . . . A 111 LEU CA . 17398 1 734 . 1 1 67 67 LEU CB C 13 42.326 0.112 . 1 . . . A 111 LEU CB . 17398 1 735 . 1 1 67 67 LEU CD2 C 13 24.679 0.013 . 2 . . . A 111 LEU CD2 . 17398 1 736 . 1 1 67 67 LEU N N 15 122.899 0.109 . 1 . . . A 111 LEU N . 17398 1 737 . 1 1 68 68 LEU H H 1 8.762 0.011 . 1 . . . A 112 LEU H . 17398 1 738 . 1 1 68 68 LEU HA H 1 4.602 0.006 . 1 . . . A 112 LEU HA . 17398 1 739 . 1 1 68 68 LEU HB2 H 1 1.587 0.004 . 2 . . . A 112 LEU HB2 . 17398 1 740 . 1 1 68 68 LEU HB3 H 1 1.853 0.003 . 2 . . . A 112 LEU HB3 . 17398 1 741 . 1 1 68 68 LEU HG H 1 1.695 0.008 . 1 . . . A 112 LEU HG . 17398 1 742 . 1 1 68 68 LEU HD11 H 1 0.875 0.007 . . . . . A 112 LEU HD11 . 17398 1 743 . 1 1 68 68 LEU HD12 H 1 0.875 0.007 . . . . . A 112 LEU HD12 . 17398 1 744 . 1 1 68 68 LEU HD13 H 1 0.875 0.007 . . . . . A 112 LEU HD13 . 17398 1 745 . 1 1 68 68 LEU HD21 H 1 0.646 0.004 . . . . . A 112 LEU HD21 . 17398 1 746 . 1 1 68 68 LEU HD22 H 1 0.646 0.004 . . . . . A 112 LEU HD22 . 17398 1 747 . 1 1 68 68 LEU HD23 H 1 0.646 0.004 . . . . . A 112 LEU HD23 . 17398 1 748 . 1 1 68 68 LEU C C 13 178.606 0.000 . 1 . . . A 112 LEU C . 17398 1 749 . 1 1 68 68 LEU CA C 13 53.816 0.121 . 1 . . . A 112 LEU CA . 17398 1 750 . 1 1 68 68 LEU CB C 13 43.121 0.075 . 1 . . . A 112 LEU CB . 17398 1 751 . 1 1 68 68 LEU CG C 13 23.237 0.000 . 1 . . . A 112 LEU CG . 17398 1 752 . 1 1 68 68 LEU CD1 C 13 22.327 0.097 . 2 . . . A 112 LEU CD1 . 17398 1 753 . 1 1 68 68 LEU CD2 C 13 24.918 0.044 . 2 . . . A 112 LEU CD2 . 17398 1 754 . 1 1 68 68 LEU N N 15 128.304 0.050 . 1 . . . A 112 LEU N . 17398 1 755 . 1 1 69 69 ASP H H 1 9.047 0.008 . 1 . . . A 113 ASP H . 17398 1 756 . 1 1 69 69 ASP HA H 1 4.226 0.005 . 1 . . . A 113 ASP HA . 17398 1 757 . 1 1 69 69 ASP HB2 H 1 2.706 0.006 . 2 . . . A 113 ASP HB2 . 17398 1 758 . 1 1 69 69 ASP HB3 H 1 2.706 0.006 . 2 . . . A 113 ASP HB3 . 17398 1 759 . 1 1 69 69 ASP C C 13 179.343 0.000 . 1 . . . A 113 ASP C . 17398 1 760 . 1 1 69 69 ASP CA C 13 58.312 0.108 . 1 . . . A 113 ASP CA . 17398 1 761 . 1 1 69 69 ASP CB C 13 40.186 0.089 . 1 . . . A 113 ASP CB . 17398 1 762 . 1 1 69 69 ASP N N 15 122.273 0.042 . 1 . . . A 113 ASP N . 17398 1 763 . 1 1 70 70 SER H H 1 8.661 0.006 . 1 . . . A 114 SER H . 17398 1 764 . 1 1 70 70 SER HA H 1 4.162 0.008 . 1 . . . A 114 SER HA . 17398 1 765 . 1 1 70 70 SER HB2 H 1 3.861 0.001 . 2 . . . A 114 SER HB2 . 17398 1 766 . 1 1 70 70 SER HB3 H 1 3.902 0.004 . 2 . . . A 114 SER HB3 . 17398 1 767 . 1 1 70 70 SER C C 13 176.989 0.000 . 1 . . . A 114 SER C . 17398 1 768 . 1 1 70 70 SER CA C 13 60.537 0.144 . 1 . . . A 114 SER CA . 17398 1 769 . 1 1 70 70 SER CB C 13 61.408 0.114 . 1 . . . A 114 SER CB . 17398 1 770 . 1 1 70 70 SER N N 15 113.650 0.070 . 1 . . . A 114 SER N . 17398 1 771 . 1 1 71 71 GLU H H 1 7.066 0.005 . 1 . . . A 115 GLU H . 17398 1 772 . 1 1 71 71 GLU HA H 1 4.133 0.009 . 1 . . . A 115 GLU HA . 17398 1 773 . 1 1 71 71 GLU HB2 H 1 2.123 0.008 . 2 . . . A 115 GLU HB2 . 17398 1 774 . 1 1 71 71 GLU HB3 H 1 2.123 0.008 . 2 . . . A 115 GLU HB3 . 17398 1 775 . 1 1 71 71 GLU HG2 H 1 2.336 0.008 . 2 . . . A 115 GLU HG2 . 17398 1 776 . 1 1 71 71 GLU HG3 H 1 2.336 0.008 . 2 . . . A 115 GLU HG3 . 17398 1 777 . 1 1 71 71 GLU C C 13 179.243 0.000 . 1 . . . A 115 GLU C . 17398 1 778 . 1 1 71 71 GLU CA C 13 58.346 0.117 . 1 . . . A 115 GLU CA . 17398 1 779 . 1 1 71 71 GLU CB C 13 29.490 0.080 . 1 . . . A 115 GLU CB . 17398 1 780 . 1 1 71 71 GLU CG C 13 35.875 0.020 . 1 . . . A 115 GLU CG . 17398 1 781 . 1 1 71 71 GLU N N 15 123.719 0.043 . 1 . . . A 115 GLU N . 17398 1 782 . 1 1 72 72 ILE H H 1 7.730 0.006 . 1 . . . A 116 ILE H . 17398 1 783 . 1 1 72 72 ILE HA H 1 3.759 0.005 . 1 . . . A 116 ILE HA . 17398 1 784 . 1 1 72 72 ILE HB H 1 2.016 0.007 . 1 . . . A 116 ILE HB . 17398 1 785 . 1 1 72 72 ILE HG12 H 1 1.713 0.001 . . . . . A 116 ILE HG12 . 17398 1 786 . 1 1 72 72 ILE HG13 H 1 1.713 0.001 . . . . . A 116 ILE HG13 . 17398 1 787 . 1 1 72 72 ILE HG21 H 1 0.891 0.005 . . . . . A 116 ILE HG21 . 17398 1 788 . 1 1 72 72 ILE HG22 H 1 0.891 0.005 . . . . . A 116 ILE HG22 . 17398 1 789 . 1 1 72 72 ILE HG23 H 1 0.891 0.005 . . . . . A 116 ILE HG23 . 17398 1 790 . 1 1 72 72 ILE C C 13 177.266 0.000 . 1 . . . A 116 ILE C . 17398 1 791 . 1 1 72 72 ILE CA C 13 66.088 0.117 . 1 . . . A 116 ILE CA . 17398 1 792 . 1 1 72 72 ILE CB C 13 38.343 0.087 . 1 . . . A 116 ILE CB . 17398 1 793 . 1 1 72 72 ILE CG2 C 13 17.134 0.006 . 1 . . . A 116 ILE CG2 . 17398 1 794 . 1 1 72 72 ILE CD1 C 13 14.245 0.045 . 1 . . . A 116 ILE CD1 . 17398 1 795 . 1 1 72 72 ILE N N 15 122.316 0.030 . 1 . . . A 116 ILE N . 17398 1 796 . 1 1 73 73 ALA H H 1 7.632 0.005 . 1 . . . A 117 ALA H . 17398 1 797 . 1 1 73 73 ALA HA H 1 4.057 0.008 . 1 . . . A 117 ALA HA . 17398 1 798 . 1 1 73 73 ALA HB1 H 1 1.416 0.006 . 1 . . . A 117 ALA HB1 . 17398 1 799 . 1 1 73 73 ALA HB2 H 1 1.416 0.006 . 1 . . . A 117 ALA HB2 . 17398 1 800 . 1 1 73 73 ALA HB3 H 1 1.416 0.006 . 1 . . . A 117 ALA HB3 . 17398 1 801 . 1 1 73 73 ALA C C 13 181.191 0.000 . 1 . . . A 117 ALA C . 17398 1 802 . 1 1 73 73 ALA CA C 13 54.966 0.118 . 1 . . . A 117 ALA CA . 17398 1 803 . 1 1 73 73 ALA CB C 13 17.906 0.063 . 1 . . . A 117 ALA CB . 17398 1 804 . 1 1 73 73 ALA N N 15 119.426 0.042 . 1 . . . A 117 ALA N . 17398 1 805 . 1 1 74 74 LYS H H 1 7.810 0.007 . 1 . . . A 118 LYS H . 17398 1 806 . 1 1 74 74 LYS HA H 1 3.928 0.004 . 1 . . . A 118 LYS HA . 17398 1 807 . 1 1 74 74 LYS HB2 H 1 1.858 0.007 . 2 . . . A 118 LYS HB2 . 17398 1 808 . 1 1 74 74 LYS HB3 H 1 1.858 0.007 . 2 . . . A 118 LYS HB3 . 17398 1 809 . 1 1 74 74 LYS HG2 H 1 1.356 0.000 . 2 . . . A 118 LYS HG2 . 17398 1 810 . 1 1 74 74 LYS HG3 H 1 1.447 0.007 . 2 . . . A 118 LYS HG3 . 17398 1 811 . 1 1 74 74 LYS HD2 H 1 1.644 0.009 . 2 . . . A 118 LYS HD2 . 17398 1 812 . 1 1 74 74 LYS HD3 H 1 1.644 0.009 . 2 . . . A 118 LYS HD3 . 17398 1 813 . 1 1 74 74 LYS HE2 H 1 2.925 0.010 . 2 . . . A 118 LYS HE2 . 17398 1 814 . 1 1 74 74 LYS HE3 H 1 2.925 0.010 . 2 . . . A 118 LYS HE3 . 17398 1 815 . 1 1 74 74 LYS CA C 13 58.922 0.104 . 1 . . . A 118 LYS CA . 17398 1 816 . 1 1 74 74 LYS CB C 13 32.610 0.076 . 1 . . . A 118 LYS CB . 17398 1 817 . 1 1 74 74 LYS N N 15 118.638 0.053 . 1 . . . A 118 LYS N . 17398 1 818 . 1 1 75 75 PHE H H 1 8.048 0.006 . 1 . . . A 119 PHE H . 17398 1 819 . 1 1 75 75 PHE HA H 1 4.530 0.000 . 1 . . . A 119 PHE HA . 17398 1 820 . 1 1 75 75 PHE HB2 H 1 2.578 0.000 . 2 . . . A 119 PHE HB2 . 17398 1 821 . 1 1 75 75 PHE HB3 H 1 2.682 0.003 . 2 . . . A 119 PHE HB3 . 17398 1 822 . 1 1 75 75 PHE HD1 H 1 6.488 0.021 . 3 . . . A 119 PHE HD1 . 17398 1 823 . 1 1 75 75 PHE HD2 H 1 6.488 0.021 . 3 . . . A 119 PHE HD2 . 17398 1 824 . 1 1 75 75 PHE HE1 H 1 6.807 0.011 . 3 . . . A 119 PHE HE1 . 17398 1 825 . 1 1 75 75 PHE HE2 H 1 6.807 0.011 . 3 . . . A 119 PHE HE2 . 17398 1 826 . 1 1 75 75 PHE HZ H 1 6.939 0.011 . 1 . . . A 119 PHE HZ . 17398 1 827 . 1 1 75 75 PHE C C 13 178.914 0.000 . 1 . . . A 119 PHE C . 17398 1 828 . 1 1 75 75 PHE CA C 13 62.011 0.047 . 1 . . . A 119 PHE CA . 17398 1 829 . 1 1 75 75 PHE CB C 13 38.628 0.099 . 1 . . . A 119 PHE CB . 17398 1 830 . 1 1 75 75 PHE N N 15 120.294 0.062 . 1 . . . A 119 PHE N . 17398 1 831 . 1 1 76 76 LEU H H 1 8.312 0.001 . 1 . . . A 120 LEU H . 17398 1 832 . 1 1 76 76 LEU HA H 1 3.740 0.005 . 1 . . . A 120 LEU HA . 17398 1 833 . 1 1 76 76 LEU HB2 H 1 1.458 0.009 . 2 . . . A 120 LEU HB2 . 17398 1 834 . 1 1 76 76 LEU HB3 H 1 1.807 0.015 . 2 . . . A 120 LEU HB3 . 17398 1 835 . 1 1 76 76 LEU HG H 1 1.056 0.010 . 1 . . . A 120 LEU HG . 17398 1 836 . 1 1 76 76 LEU C C 13 178.821 0.000 . 1 . . . A 120 LEU C . 17398 1 837 . 1 1 76 76 LEU CA C 13 56.915 0.121 . 1 . . . A 120 LEU CA . 17398 1 838 . 1 1 76 76 LEU CB C 13 41.078 0.035 . 1 . . . A 120 LEU CB . 17398 1 839 . 1 1 76 76 LEU CG C 13 23.092 0.049 . 1 . . . A 120 LEU CG . 17398 1 840 . 1 1 76 76 LEU CD2 C 13 26.410 0.043 . 2 . . . A 120 LEU CD2 . 17398 1 841 . 1 1 77 77 GLY H H 1 7.796 0.005 . 1 . . . A 121 GLY H . 17398 1 842 . 1 1 77 77 GLY HA2 H 1 3.659 0.008 . 2 . . . A 121 GLY HA2 . 17398 1 843 . 1 1 77 77 GLY HA3 H 1 4.091 0.007 . 2 . . . A 121 GLY HA3 . 17398 1 844 . 1 1 77 77 GLY C C 13 174.166 0.000 . 1 . . . A 121 GLY C . 17398 1 845 . 1 1 77 77 GLY CA C 13 45.178 0.097 . 1 . . . A 121 GLY CA . 17398 1 846 . 1 1 77 77 GLY N N 15 104.900 0.029 . 1 . . . A 121 GLY N . 17398 1 847 . 1 1 78 78 SER H H 1 7.053 0.006 . 1 . . . A 122 SER H . 17398 1 848 . 1 1 78 78 SER HA H 1 4.467 0.010 . 1 . . . A 122 SER HA . 17398 1 849 . 1 1 78 78 SER HB2 H 1 3.843 0.001 . 2 . . . A 122 SER HB2 . 17398 1 850 . 1 1 78 78 SER HB3 H 1 3.948 0.004 . 2 . . . A 122 SER HB3 . 17398 1 851 . 1 1 78 78 SER C C 13 174.865 0.000 . 1 . . . A 122 SER C . 17398 1 852 . 1 1 78 78 SER CA C 13 58.075 0.122 . 1 . . . A 122 SER CA . 17398 1 853 . 1 1 78 78 SER CB C 13 63.886 0.102 . 1 . . . A 122 SER CB . 17398 1 854 . 1 1 78 78 SER N N 15 115.225 0.026 . 1 . . . A 122 SER N . 17398 1 855 . 1 1 79 79 SER H H 1 8.443 0.003 . 1 . . . A 123 SER H . 17398 1 856 . 1 1 79 79 SER HA H 1 4.304 0.005 . 1 . . . A 123 SER HA . 17398 1 857 . 1 1 79 79 SER HB2 H 1 3.740 0.005 . 2 . . . A 123 SER HB2 . 17398 1 858 . 1 1 79 79 SER HB3 H 1 3.886 0.002 . 2 . . . A 123 SER HB3 . 17398 1 859 . 1 1 79 79 SER C C 13 174.737 0.000 . 1 . . . A 123 SER C . 17398 1 860 . 1 1 79 79 SER CA C 13 58.418 0.060 . 1 . . . A 123 SER CA . 17398 1 861 . 1 1 79 79 SER CB C 13 63.273 0.072 . 1 . . . A 123 SER CB . 17398 1 862 . 1 1 79 79 SER N N 15 117.610 0.104 . 1 . . . A 123 SER N . 17398 1 863 . 1 1 80 80 LYS H H 1 7.591 0.006 . 1 . . . A 124 LYS H . 17398 1 864 . 1 1 80 80 LYS HA H 1 4.134 0.006 . 1 . . . A 124 LYS HA . 17398 1 865 . 1 1 80 80 LYS HB2 H 1 1.646 0.007 . 2 . . . A 124 LYS HB2 . 17398 1 866 . 1 1 80 80 LYS HB3 H 1 1.731 0.011 . 2 . . . A 124 LYS HB3 . 17398 1 867 . 1 1 80 80 LYS HD2 H 1 1.366 0.009 . 2 . . . A 124 LYS HD2 . 17398 1 868 . 1 1 80 80 LYS HD3 H 1 1.366 0.009 . 2 . . . A 124 LYS HD3 . 17398 1 869 . 1 1 80 80 LYS HE2 H 1 2.970 0.002 . 2 . . . A 124 LYS HE2 . 17398 1 870 . 1 1 80 80 LYS HE3 H 1 2.970 0.002 . 2 . . . A 124 LYS HE3 . 17398 1 871 . 1 1 80 80 LYS C C 13 176.267 0.000 . 1 . . . A 124 LYS C . 17398 1 872 . 1 1 80 80 LYS CA C 13 56.543 0.093 . 1 . . . A 124 LYS CA . 17398 1 873 . 1 1 80 80 LYS CB C 13 32.852 0.054 . 1 . . . A 124 LYS CB . 17398 1 874 . 1 1 80 80 LYS CG C 13 24.822 0.000 . 1 . . . A 124 LYS CG . 17398 1 875 . 1 1 80 80 LYS CE C 13 46.150 0.064 . 1 . . . A 124 LYS CE . 17398 1 876 . 1 1 80 80 LYS N N 15 121.876 0.034 . 1 . . . A 124 LYS N . 17398 1 877 . 1 1 81 81 ARG H H 1 8.474 0.007 . 1 . . . A 125 ARG H . 17398 1 878 . 1 1 81 81 ARG HA H 1 4.166 0.002 . 1 . . . A 125 ARG HA . 17398 1 879 . 1 1 81 81 ARG HB2 H 1 1.792 0.008 . 2 . . . A 125 ARG HB2 . 17398 1 880 . 1 1 81 81 ARG HB3 H 1 1.792 0.008 . 2 . . . A 125 ARG HB3 . 17398 1 881 . 1 1 81 81 ARG HG2 H 1 1.590 0.000 . 2 . . . A 125 ARG HG2 . 17398 1 882 . 1 1 81 81 ARG HG3 H 1 1.590 0.000 . 2 . . . A 125 ARG HG3 . 17398 1 883 . 1 1 81 81 ARG HD2 H 1 3.181 0.008 . 2 . . . A 125 ARG HD2 . 17398 1 884 . 1 1 81 81 ARG HD3 H 1 3.181 0.008 . 2 . . . A 125 ARG HD3 . 17398 1 885 . 1 1 81 81 ARG CA C 13 57.284 0.199 . 1 . . . A 125 ARG CA . 17398 1 886 . 1 1 81 81 ARG CB C 13 29.566 0.107 . 1 . . . A 125 ARG CB . 17398 1 887 . 1 1 81 81 ARG CG C 13 27.152 0.046 . 1 . . . A 125 ARG CG . 17398 1 888 . 1 1 81 81 ARG N N 15 121.090 0.094 . 1 . . . A 125 ARG N . 17398 1 889 . 1 1 82 82 LYS H H 1 8.150 0.005 . 1 . . . A 126 LYS H . 17398 1 890 . 1 1 82 82 LYS HA H 1 4.616 0.011 . 1 . . . A 126 LYS HA . 17398 1 891 . 1 1 82 82 LYS HB2 H 1 1.626 0.006 . 2 . . . A 126 LYS HB2 . 17398 1 892 . 1 1 82 82 LYS HB3 H 1 1.823 0.009 . 2 . . . A 126 LYS HB3 . 17398 1 893 . 1 1 82 82 LYS HG2 H 1 1.137 0.013 . 2 . . . A 126 LYS HG2 . 17398 1 894 . 1 1 82 82 LYS HG3 H 1 1.137 0.013 . 2 . . . A 126 LYS HG3 . 17398 1 895 . 1 1 82 82 LYS HD2 H 1 1.111 0.008 . 2 . . . A 126 LYS HD2 . 17398 1 896 . 1 1 82 82 LYS HD3 H 1 1.111 0.008 . 2 . . . A 126 LYS HD3 . 17398 1 897 . 1 1 82 82 LYS HE2 H 1 2.536 0.005 . 2 . . . A 126 LYS HE2 . 17398 1 898 . 1 1 82 82 LYS HE3 H 1 2.536 0.005 . 2 . . . A 126 LYS HE3 . 17398 1 899 . 1 1 82 82 LYS C C 13 175.464 0.000 . 1 . . . A 126 LYS C . 17398 1 900 . 1 1 82 82 LYS CA C 13 54.731 0.165 . 1 . . . A 126 LYS CA . 17398 1 901 . 1 1 82 82 LYS CB C 13 34.777 0.093 . 1 . . . A 126 LYS CB . 17398 1 902 . 1 1 82 82 LYS CG C 13 23.240 0.291 . 1 . . . A 126 LYS CG . 17398 1 903 . 1 1 82 82 LYS CD C 13 28.675 0.031 . 1 . . . A 126 LYS CD . 17398 1 904 . 1 1 82 82 LYS CE C 13 41.483 0.026 . 1 . . . A 126 LYS CE . 17398 1 905 . 1 1 82 82 LYS N N 15 122.610 0.079 . 1 . . . A 126 LYS N . 17398 1 906 . 1 1 83 83 SER H H 1 8.468 0.007 . 1 . . . A 127 SER H . 17398 1 907 . 1 1 83 83 SER HA H 1 4.521 0.008 . 1 . . . A 127 SER HA . 17398 1 908 . 1 1 83 83 SER HB2 H 1 4.114 0.005 . 2 . . . A 127 SER HB2 . 17398 1 909 . 1 1 83 83 SER HB3 H 1 4.444 0.008 . 2 . . . A 127 SER HB3 . 17398 1 910 . 1 1 83 83 SER C C 13 174.922 0.000 . 1 . . . A 127 SER C . 17398 1 911 . 1 1 83 83 SER CA C 13 57.380 0.091 . 1 . . . A 127 SER CA . 17398 1 912 . 1 1 83 83 SER CB C 13 64.335 0.069 . 1 . . . A 127 SER CB . 17398 1 913 . 1 1 83 83 SER N N 15 117.094 0.078 . 1 . . . A 127 SER N . 17398 1 914 . 1 1 84 84 LYS H H 1 8.995 0.006 . 1 . . . A 128 LYS H . 17398 1 915 . 1 1 84 84 LYS HA H 1 3.997 0.006 . 1 . . . A 128 LYS HA . 17398 1 916 . 1 1 84 84 LYS HB2 H 1 1.850 0.006 . 2 . . . A 128 LYS HB2 . 17398 1 917 . 1 1 84 84 LYS HB3 H 1 1.958 0.016 . 2 . . . A 128 LYS HB3 . 17398 1 918 . 1 1 84 84 LYS C C 13 178.716 0.000 . 1 . . . A 128 LYS C . 17398 1 919 . 1 1 84 84 LYS CA C 13 59.665 0.047 . 1 . . . A 128 LYS CA . 17398 1 920 . 1 1 84 84 LYS CB C 13 32.420 0.131 . 1 . . . A 128 LYS CB . 17398 1 921 . 1 1 84 84 LYS CG C 13 24.738 0.044 . 1 . . . A 128 LYS CG . 17398 1 922 . 1 1 84 84 LYS N N 15 125.142 0.029 . 1 . . . A 128 LYS N . 17398 1 923 . 1 1 85 85 GLU H H 1 9.107 0.017 . 1 . . . A 129 GLU H . 17398 1 924 . 1 1 85 85 GLU HA H 1 4.176 0.011 . 1 . . . A 129 GLU HA . 17398 1 925 . 1 1 85 85 GLU HB2 H 1 2.347 0.013 . 2 . . . A 129 GLU HB2 . 17398 1 926 . 1 1 85 85 GLU HB3 H 1 2.347 0.013 . 2 . . . A 129 GLU HB3 . 17398 1 927 . 1 1 85 85 GLU HG2 H 1 2.416 0.000 . 2 . . . A 129 GLU HG2 . 17398 1 928 . 1 1 85 85 GLU HG3 H 1 2.741 0.006 . 2 . . . A 129 GLU HG3 . 17398 1 929 . 1 1 85 85 GLU C C 13 178.824 0.000 . 1 . . . A 129 GLU C . 17398 1 930 . 1 1 85 85 GLU CA C 13 60.386 0.132 . 1 . . . A 129 GLU CA . 17398 1 931 . 1 1 85 85 GLU CB C 13 28.827 0.048 . 1 . . . A 129 GLU CB . 17398 1 932 . 1 1 85 85 GLU CG C 13 37.079 0.039 . 1 . . . A 129 GLU CG . 17398 1 933 . 1 1 85 85 GLU N N 15 118.057 0.022 . 1 . . . A 129 GLU N . 17398 1 934 . 1 1 86 86 LEU H H 1 7.797 0.007 . 1 . . . A 130 LEU H . 17398 1 935 . 1 1 86 86 LEU HA H 1 3.531 0.006 . 1 . . . A 130 LEU HA . 17398 1 936 . 1 1 86 86 LEU HB2 H 1 1.865 0.000 . 2 . . . A 130 LEU HB2 . 17398 1 937 . 1 1 86 86 LEU HB3 H 1 2.006 0.003 . 2 . . . A 130 LEU HB3 . 17398 1 938 . 1 1 86 86 LEU HG H 1 1.291 0.005 . 1 . . . A 130 LEU HG . 17398 1 939 . 1 1 86 86 LEU HD11 H 1 0.110 0.007 . . . . . A 130 LEU HD11 . 17398 1 940 . 1 1 86 86 LEU HD12 H 1 0.110 0.007 . . . . . A 130 LEU HD12 . 17398 1 941 . 1 1 86 86 LEU HD13 H 1 0.110 0.007 . . . . . A 130 LEU HD13 . 17398 1 942 . 1 1 86 86 LEU C C 13 179.285 0.000 . 1 . . . A 130 LEU C . 17398 1 943 . 1 1 86 86 LEU CA C 13 56.817 0.133 . 1 . . . A 130 LEU CA . 17398 1 944 . 1 1 86 86 LEU CB C 13 42.251 0.122 . 1 . . . A 130 LEU CB . 17398 1 945 . 1 1 86 86 LEU CD1 C 13 21.714 0.048 . 2 . . . A 130 LEU CD1 . 17398 1 946 . 1 1 86 86 LEU CD2 C 13 26.717 0.000 . 2 . . . A 130 LEU CD2 . 17398 1 947 . 1 1 86 86 LEU N N 15 122.689 0.062 . 1 . . . A 130 LEU N . 17398 1 948 . 1 1 87 87 ILE H H 1 8.236 0.010 . 1 . . . A 131 ILE H . 17398 1 949 . 1 1 87 87 ILE HA H 1 3.653 0.005 . 1 . . . A 131 ILE HA . 17398 1 950 . 1 1 87 87 ILE HB H 1 1.993 0.007 . 1 . . . A 131 ILE HB . 17398 1 951 . 1 1 87 87 ILE HG21 H 1 0.907 0.012 . . . . . A 131 ILE HG21 . 17398 1 952 . 1 1 87 87 ILE HG22 H 1 0.907 0.012 . . . . . A 131 ILE HG22 . 17398 1 953 . 1 1 87 87 ILE HG23 H 1 0.907 0.012 . . . . . A 131 ILE HG23 . 17398 1 954 . 1 1 87 87 ILE HD11 H 1 0.836 0.004 . . . . . A 131 ILE HD11 . 17398 1 955 . 1 1 87 87 ILE HD12 H 1 0.836 0.004 . . . . . A 131 ILE HD12 . 17398 1 956 . 1 1 87 87 ILE HD13 H 1 0.836 0.004 . . . . . A 131 ILE HD13 . 17398 1 957 . 1 1 87 87 ILE CA C 13 66.795 0.103 . 1 . . . A 131 ILE CA . 17398 1 958 . 1 1 87 87 ILE CB C 13 38.320 0.099 . 1 . . . A 131 ILE CB . 17398 1 959 . 1 1 87 87 ILE CG1 C 13 30.012 0.000 . 1 . . . A 131 ILE CG1 . 17398 1 960 . 1 1 87 87 ILE CG2 C 13 17.128 0.027 . 1 . . . A 131 ILE CG2 . 17398 1 961 . 1 1 87 87 ILE CD1 C 13 14.075 0.026 . 1 . . . A 131 ILE CD1 . 17398 1 962 . 1 1 87 87 ILE N N 15 120.377 0.050 . 1 . . . A 131 ILE N . 17398 1 963 . 1 1 88 88 GLU H H 1 8.299 0.009 . 1 . . . A 132 GLU H . 17398 1 964 . 1 1 88 88 GLU HA H 1 4.029 0.006 . 1 . . . A 132 GLU HA . 17398 1 965 . 1 1 88 88 GLU HB2 H 1 2.064 0.004 . 2 . . . A 132 GLU HB2 . 17398 1 966 . 1 1 88 88 GLU HB3 H 1 2.245 0.010 . 2 . . . A 132 GLU HB3 . 17398 1 967 . 1 1 88 88 GLU HG2 H 1 2.358 0.004 . 2 . . . A 132 GLU HG2 . 17398 1 968 . 1 1 88 88 GLU HG3 H 1 2.584 0.006 . 2 . . . A 132 GLU HG3 . 17398 1 969 . 1 1 88 88 GLU C C 13 179.551 0.000 . 1 . . . A 132 GLU C . 17398 1 970 . 1 1 88 88 GLU CA C 13 59.140 0.092 . 1 . . . A 132 GLU CA . 17398 1 971 . 1 1 88 88 GLU CB C 13 28.895 0.045 . 1 . . . A 132 GLU CB . 17398 1 972 . 1 1 88 88 GLU CG C 13 35.738 0.022 . 1 . . . A 132 GLU CG . 17398 1 973 . 1 1 88 88 GLU N N 15 117.432 0.091 . 1 . . . A 132 GLU N . 17398 1 974 . 1 1 89 89 ALA H H 1 7.951 0.008 . 1 . . . A 133 ALA H . 17398 1 975 . 1 1 89 89 ALA HA H 1 3.755 0.008 . 1 . . . A 133 ALA HA . 17398 1 976 . 1 1 89 89 ALA HB1 H 1 1.357 0.007 . 1 . . . A 133 ALA HB1 . 17398 1 977 . 1 1 89 89 ALA HB2 H 1 1.357 0.007 . 1 . . . A 133 ALA HB2 . 17398 1 978 . 1 1 89 89 ALA HB3 H 1 1.357 0.007 . 1 . . . A 133 ALA HB3 . 17398 1 979 . 1 1 89 89 ALA C C 13 178.791 0.000 . 1 . . . A 133 ALA C . 17398 1 980 . 1 1 89 89 ALA CA C 13 55.899 0.047 . 1 . . . A 133 ALA CA . 17398 1 981 . 1 1 89 89 ALA CB C 13 19.684 0.050 . 1 . . . A 133 ALA CB . 17398 1 982 . 1 1 89 89 ALA N N 15 122.584 0.035 . 1 . . . A 133 ALA N . 17398 1 983 . 1 1 90 90 TYR H H 1 8.351 0.009 . 1 . . . A 134 TYR H . 17398 1 984 . 1 1 90 90 TYR HA H 1 3.699 0.005 . 1 . . . A 134 TYR HA . 17398 1 985 . 1 1 90 90 TYR HB2 H 1 2.532 0.013 . 2 . . . A 134 TYR HB2 . 17398 1 986 . 1 1 90 90 TYR HB3 H 1 3.078 0.008 . 2 . . . A 134 TYR HB3 . 17398 1 987 . 1 1 90 90 TYR HD1 H 1 6.684 0.009 . 3 . . . A 134 TYR HD1 . 17398 1 988 . 1 1 90 90 TYR HD2 H 1 6.684 0.009 . 3 . . . A 134 TYR HD2 . 17398 1 989 . 1 1 90 90 TYR HE1 H 1 5.920 0.009 . 3 . . . A 134 TYR HE1 . 17398 1 990 . 1 1 90 90 TYR HE2 H 1 5.920 0.009 . 3 . . . A 134 TYR HE2 . 17398 1 991 . 1 1 90 90 TYR C C 13 180.226 0.000 . 1 . . . A 134 TYR C . 17398 1 992 . 1 1 90 90 TYR CA C 13 62.429 0.134 . 1 . . . A 134 TYR CA . 17398 1 993 . 1 1 90 90 TYR CB C 13 38.982 0.118 . 1 . . . A 134 TYR CB . 17398 1 994 . 1 1 90 90 TYR N N 15 117.198 0.056 . 1 . . . A 134 TYR N . 17398 1 995 . 1 1 91 91 GLU H H 1 8.979 0.007 . 1 . . . A 135 GLU H . 17398 1 996 . 1 1 91 91 GLU HA H 1 3.933 0.005 . 1 . . . A 135 GLU HA . 17398 1 997 . 1 1 91 91 GLU HB2 H 1 1.743 0.000 . 2 . . . A 135 GLU HB2 . 17398 1 998 . 1 1 91 91 GLU HB3 H 1 2.084 0.016 . 2 . . . A 135 GLU HB3 . 17398 1 999 . 1 1 91 91 GLU C C 13 179.893 0.000 . 1 . . . A 135 GLU C . 17398 1 1000 . 1 1 91 91 GLU CA C 13 59.680 0.077 . 1 . . . A 135 GLU CA . 17398 1 1001 . 1 1 91 91 GLU CB C 13 28.829 0.060 . 1 . . . A 135 GLU CB . 17398 1 1002 . 1 1 91 91 GLU CG C 13 35.010 0.022 . 1 . . . A 135 GLU CG . 17398 1 1003 . 1 1 91 91 GLU N N 15 118.661 0.075 . 1 . . . A 135 GLU N . 17398 1 1004 . 1 1 92 92 ALA H H 1 8.177 0.007 . 1 . . . A 136 ALA H . 17398 1 1005 . 1 1 92 92 ALA HA H 1 4.101 0.013 . 1 . . . A 136 ALA HA . 17398 1 1006 . 1 1 92 92 ALA HB1 H 1 1.638 0.005 . 1 . . . A 136 ALA HB1 . 17398 1 1007 . 1 1 92 92 ALA HB2 H 1 1.638 0.005 . 1 . . . A 136 ALA HB2 . 17398 1 1008 . 1 1 92 92 ALA HB3 H 1 1.638 0.005 . 1 . . . A 136 ALA HB3 . 17398 1 1009 . 1 1 92 92 ALA C C 13 179.235 0.000 . 1 . . . A 136 ALA C . 17398 1 1010 . 1 1 92 92 ALA CA C 13 54.631 0.080 . 1 . . . A 136 ALA CA . 17398 1 1011 . 1 1 92 92 ALA CB C 13 18.698 0.053 . 1 . . . A 136 ALA CB . 17398 1 1012 . 1 1 92 92 ALA N N 15 121.642 0.077 . 1 . . . A 136 ALA N . 17398 1 1013 . 1 1 93 93 SER H H 1 7.282 0.005 . 1 . . . A 137 SER H . 17398 1 1014 . 1 1 93 93 SER HA H 1 2.881 0.012 . 1 . . . A 137 SER HA . 17398 1 1015 . 1 1 93 93 SER HB2 H 1 2.471 0.014 . 2 . . . A 137 SER HB2 . 17398 1 1016 . 1 1 93 93 SER HB3 H 1 2.471 0.014 . 2 . . . A 137 SER HB3 . 17398 1 1017 . 1 1 93 93 SER C C 13 173.880 0.000 . 1 . . . A 137 SER C . 17398 1 1018 . 1 1 93 93 SER CA C 13 60.275 0.102 . 1 . . . A 137 SER CA . 17398 1 1019 . 1 1 93 93 SER CB C 13 62.759 0.119 . 1 . . . A 137 SER CB . 17398 1 1020 . 1 1 93 93 SER N N 15 113.680 0.062 . 1 . . . A 137 SER N . 17398 1 1021 . 1 1 94 94 LYS H H 1 7.053 0.006 . 1 . . . A 138 LYS H . 17398 1 1022 . 1 1 94 94 LYS HA H 1 3.859 0.005 . 1 . . . A 138 LYS HA . 17398 1 1023 . 1 1 94 94 LYS HB2 H 1 1.900 0.005 . 2 . . . A 138 LYS HB2 . 17398 1 1024 . 1 1 94 94 LYS HB3 H 1 1.900 0.005 . 2 . . . A 138 LYS HB3 . 17398 1 1025 . 1 1 94 94 LYS HG2 H 1 1.466 0.004 . 2 . . . A 138 LYS HG2 . 17398 1 1026 . 1 1 94 94 LYS HG3 H 1 1.466 0.004 . 2 . . . A 138 LYS HG3 . 17398 1 1027 . 1 1 94 94 LYS HE2 H 1 2.535 0.000 . 2 . . . A 138 LYS HE2 . 17398 1 1028 . 1 1 94 94 LYS HE3 H 1 2.535 0.000 . 2 . . . A 138 LYS HE3 . 17398 1 1029 . 1 1 94 94 LYS C C 13 177.362 0.000 . 1 . . . A 138 LYS C . 17398 1 1030 . 1 1 94 94 LYS CA C 13 59.098 0.073 . 1 . . . A 138 LYS CA . 17398 1 1031 . 1 1 94 94 LYS CB C 13 33.441 0.124 . 1 . . . A 138 LYS CB . 17398 1 1032 . 1 1 94 94 LYS CG C 13 26.045 0.000 . 1 . . . A 138 LYS CG . 17398 1 1033 . 1 1 94 94 LYS N N 15 120.124 0.088 . 1 . . . A 138 LYS N . 17398 1 1034 . 1 1 95 95 THR H H 1 7.407 0.010 . 1 . . . A 139 THR H . 17398 1 1035 . 1 1 95 95 THR HA H 1 4.726 0.005 . 1 . . . A 139 THR HA . 17398 1 1036 . 1 1 95 95 THR HB H 1 4.261 0.003 . 1 . . . A 139 THR HB . 17398 1 1037 . 1 1 95 95 THR HG21 H 1 1.126 0.002 . . . . . A 139 THR HG21 . 17398 1 1038 . 1 1 95 95 THR HG22 H 1 1.126 0.002 . . . . . A 139 THR HG22 . 17398 1 1039 . 1 1 95 95 THR HG23 H 1 1.126 0.002 . . . . . A 139 THR HG23 . 17398 1 1040 . 1 1 95 95 THR CA C 13 57.053 0.057 . 1 . . . A 139 THR CA . 17398 1 1041 . 1 1 95 95 THR CB C 13 69.353 0.115 . 1 . . . A 139 THR CB . 17398 1 1042 . 1 1 95 95 THR CG2 C 13 20.953 0.023 . 1 . . . A 139 THR CG2 . 17398 1 1043 . 1 1 95 95 THR N N 15 109.398 0.114 . 1 . . . A 139 THR N . 17398 1 1044 . 1 1 97 97 PRO HA H 1 4.361 0.004 . 1 . . . A 141 PRO HA . 17398 1 1045 . 1 1 97 97 PRO HB2 H 1 2.252 0.006 . 2 . . . A 141 PRO HB2 . 17398 1 1046 . 1 1 97 97 PRO HB3 H 1 1.866 0.008 . 2 . . . A 141 PRO HB3 . 17398 1 1047 . 1 1 97 97 PRO HG2 H 1 2.000 0.008 . 2 . . . A 141 PRO HG2 . 17398 1 1048 . 1 1 97 97 PRO HG3 H 1 2.000 0.008 . 2 . . . A 141 PRO HG3 . 17398 1 1049 . 1 1 97 97 PRO HD3 H 1 3.784 0.011 . 2 . . . A 141 PRO HD3 . 17398 1 1050 . 1 1 97 97 PRO C C 13 176.474 0.000 . 1 . . . A 141 PRO C . 17398 1 1051 . 1 1 97 97 PRO CA C 13 63.192 0.055 . 1 . . . A 141 PRO CA . 17398 1 1052 . 1 1 97 97 PRO CB C 13 32.017 0.066 . 1 . . . A 141 PRO CB . 17398 1 1053 . 1 1 97 97 PRO CG C 13 27.346 0.051 . 1 . . . A 141 PRO CG . 17398 1 1054 . 1 1 97 97 PRO CD C 13 50.470 0.105 . 1 . . . A 141 PRO CD . 17398 1 1055 . 1 1 98 98 ASP H H 1 8.368 0.005 . 1 . . . A 142 ASP H . 17398 1 1056 . 1 1 98 98 ASP HA H 1 4.552 0.003 . 1 . . . A 142 ASP HA . 17398 1 1057 . 1 1 98 98 ASP HB2 H 1 2.661 0.009 . 2 . . . A 142 ASP HB2 . 17398 1 1058 . 1 1 98 98 ASP HB3 H 1 2.661 0.009 . 2 . . . A 142 ASP HB3 . 17398 1 1059 . 1 1 98 98 ASP C C 13 176.365 0.000 . 1 . . . A 142 ASP C . 17398 1 1060 . 1 1 98 98 ASP CA C 13 53.898 0.043 . 1 . . . A 142 ASP CA . 17398 1 1061 . 1 1 98 98 ASP CB C 13 40.641 0.083 . 1 . . . A 142 ASP CB . 17398 1 1062 . 1 1 98 98 ASP N N 15 119.490 0.030 . 1 . . . A 142 ASP N . 17398 1 1063 . 1 1 99 99 LEU H H 1 8.112 0.012 . 1 . . . A 143 LEU H . 17398 1 1064 . 1 1 99 99 LEU HA H 1 4.295 0.008 . 1 . . . A 143 LEU HA . 17398 1 1065 . 1 1 99 99 LEU HB2 H 1 1.519 0.007 . 2 . . . A 143 LEU HB2 . 17398 1 1066 . 1 1 99 99 LEU HB3 H 1 1.519 0.007 . 2 . . . A 143 LEU HB3 . 17398 1 1067 . 1 1 99 99 LEU HG H 1 1.460 0.000 . 1 . . . A 143 LEU HG . 17398 1 1068 . 1 1 99 99 LEU HD11 H 1 0.544 0.000 . . . . . A 143 LEU HD11 . 17398 1 1069 . 1 1 99 99 LEU HD12 H 1 0.544 0.000 . . . . . A 143 LEU HD12 . 17398 1 1070 . 1 1 99 99 LEU HD13 H 1 0.544 0.000 . . . . . A 143 LEU HD13 . 17398 1 1071 . 1 1 99 99 LEU C C 13 177.385 0.000 . 1 . . . A 143 LEU C . 17398 1 1072 . 1 1 99 99 LEU CA C 13 55.222 0.092 . 1 . . . A 143 LEU CA . 17398 1 1073 . 1 1 99 99 LEU CB C 13 42.011 0.097 . 1 . . . A 143 LEU CB . 17398 1 1074 . 1 1 99 99 LEU CD1 C 13 25.773 0.069 . 2 . . . A 143 LEU CD1 . 17398 1 1075 . 1 1 99 99 LEU CD2 C 13 22.811 0.068 . 2 . . . A 143 LEU CD2 . 17398 1 1076 . 1 1 99 99 LEU N N 15 122.864 0.097 . 1 . . . A 143 LEU N . 17398 1 1077 . 1 1 100 100 LYS H H 1 8.312 0.010 . 1 . . . A 144 LYS H . 17398 1 1078 . 1 1 100 100 LYS HA H 1 4.207 0.009 . 1 . . . A 144 LYS HA . 17398 1 1079 . 1 1 100 100 LYS HB2 H 1 1.816 0.020 . 2 . . . A 144 LYS HB2 . 17398 1 1080 . 1 1 100 100 LYS HB3 H 1 1.816 0.020 . 2 . . . A 144 LYS HB3 . 17398 1 1081 . 1 1 100 100 LYS HG2 H 1 1.410 0.007 . 2 . . . A 144 LYS HG2 . 17398 1 1082 . 1 1 100 100 LYS HG3 H 1 1.410 0.007 . 2 . . . A 144 LYS HG3 . 17398 1 1083 . 1 1 100 100 LYS HD2 H 1 1.660 0.007 . 2 . . . A 144 LYS HD2 . 17398 1 1084 . 1 1 100 100 LYS HD3 H 1 1.660 0.007 . 2 . . . A 144 LYS HD3 . 17398 1 1085 . 1 1 100 100 LYS CA C 13 57.150 0.056 . 1 . . . A 144 LYS CA . 17398 1 1086 . 1 1 100 100 LYS CB C 13 32.736 0.044 . 1 . . . A 144 LYS CB . 17398 1 1087 . 1 1 100 100 LYS CG C 13 24.716 0.060 . 1 . . . A 144 LYS CG . 17398 1 1088 . 1 1 100 100 LYS N N 15 119.728 0.171 . 1 . . . A 144 LYS N . 17398 1 1089 . 1 1 101 101 GLU H H 1 8.381 0.018 . 1 . . . A 145 GLU H . 17398 1 1090 . 1 1 101 101 GLU HA H 1 4.156 0.002 . 1 . . . A 145 GLU HA . 17398 1 1091 . 1 1 101 101 GLU HB2 H 1 1.827 0.012 . 2 . . . A 145 GLU HB2 . 17398 1 1092 . 1 1 101 101 GLU HB3 H 1 2.013 0.004 . 2 . . . A 145 GLU HB3 . 17398 1 1093 . 1 1 101 101 GLU HG2 H 1 2.175 0.011 . 2 . . . A 145 GLU HG2 . 17398 1 1094 . 1 1 101 101 GLU HG3 H 1 2.175 0.011 . 2 . . . A 145 GLU HG3 . 17398 1 1095 . 1 1 101 101 GLU C C 13 176.588 0.000 . 1 . . . A 145 GLU C . 17398 1 1096 . 1 1 101 101 GLU CA C 13 56.585 0.115 . 1 . . . A 145 GLU CA . 17398 1 1097 . 1 1 101 101 GLU CB C 13 29.814 0.080 . 1 . . . A 145 GLU CB . 17398 1 1098 . 1 1 101 101 GLU CG C 13 35.152 0.035 . 1 . . . A 145 GLU CG . 17398 1 1099 . 1 1 101 101 GLU N N 15 120.694 0.078 . 1 . . . A 145 GLU N . 17398 1 1100 . 1 1 102 102 GLU H H 1 8.268 0.017 . 1 . . . A 146 GLU H . 17398 1 1101 . 1 1 102 102 GLU HA H 1 4.307 0.008 . 1 . . . A 146 GLU HA . 17398 1 1102 . 1 1 102 102 GLU HB2 H 1 1.900 0.010 . 2 . . . A 146 GLU HB2 . 17398 1 1103 . 1 1 102 102 GLU HB3 H 1 1.990 0.013 . 2 . . . A 146 GLU HB3 . 17398 1 1104 . 1 1 102 102 GLU HG2 H 1 2.259 0.002 . 2 . . . A 146 GLU HG2 . 17398 1 1105 . 1 1 102 102 GLU HG3 H 1 2.259 0.002 . 2 . . . A 146 GLU HG3 . 17398 1 1106 . 1 1 102 102 GLU C C 13 176.002 0.000 . 1 . . . A 146 GLU C . 17398 1 1107 . 1 1 102 102 GLU CA C 13 56.445 0.154 . 1 . . . A 146 GLU CA . 17398 1 1108 . 1 1 102 102 GLU CB C 13 29.899 0.076 . 1 . . . A 146 GLU CB . 17398 1 1109 . 1 1 102 102 GLU CG C 13 35.147 0.061 . 1 . . . A 146 GLU CG . 17398 1 1110 . 1 1 102 102 GLU N N 15 120.737 0.056 . 1 . . . A 146 GLU N . 17398 1 1111 . 1 1 103 103 SER H H 1 8.354 0.007 . 1 . . . A 147 SER H . 17398 1 1112 . 1 1 103 103 SER HA H 1 4.445 0.005 . 1 . . . A 147 SER HA . 17398 1 1113 . 1 1 103 103 SER HB2 H 1 3.856 0.003 . 2 . . . A 147 SER HB2 . 17398 1 1114 . 1 1 103 103 SER HB3 H 1 3.964 0.005 . 2 . . . A 147 SER HB3 . 17398 1 1115 . 1 1 103 103 SER C C 13 175.418 0.000 . 1 . . . A 147 SER C . 17398 1 1116 . 1 1 103 103 SER CA C 13 58.155 0.174 . 1 . . . A 147 SER CA . 17398 1 1117 . 1 1 103 103 SER CB C 13 63.774 0.120 . 1 . . . A 147 SER CB . 17398 1 1118 . 1 1 103 103 SER N N 15 115.966 0.071 . 1 . . . A 147 SER N . 17398 1 1119 . 1 1 104 104 SER H H 1 8.483 0.006 . 1 . . . A 148 SER H . 17398 1 1120 . 1 1 104 104 SER HA H 1 4.285 0.001 . 1 . . . A 148 SER HA . 17398 1 1121 . 1 1 104 104 SER HB2 H 1 3.876 0.016 . 2 . . . A 148 SER HB2 . 17398 1 1122 . 1 1 104 104 SER HB3 H 1 3.876 0.016 . 2 . . . A 148 SER HB3 . 17398 1 1123 . 1 1 104 104 SER C C 13 175.358 0.000 . 1 . . . A 148 SER C . 17398 1 1124 . 1 1 104 104 SER CA C 13 59.542 0.058 . 1 . . . A 148 SER CA . 17398 1 1125 . 1 1 104 104 SER CB C 13 63.303 0.023 . 1 . . . A 148 SER CB . 17398 1 1126 . 1 1 104 104 SER N N 15 117.717 0.068 . 1 . . . A 148 SER N . 17398 1 1127 . 1 1 105 105 THR H H 1 7.978 0.006 . 1 . . . A 149 THR H . 17398 1 1128 . 1 1 105 105 THR HA H 1 4.184 0.012 . 1 . . . A 149 THR HA . 17398 1 1129 . 1 1 105 105 THR HB H 1 4.018 0.004 . 1 . . . A 149 THR HB . 17398 1 1130 . 1 1 105 105 THR HG21 H 1 1.137 0.003 . . . . . A 149 THR HG21 . 17398 1 1131 . 1 1 105 105 THR HG22 H 1 1.137 0.003 . . . . . A 149 THR HG22 . 17398 1 1132 . 1 1 105 105 THR HG23 H 1 1.137 0.003 . . . . . A 149 THR HG23 . 17398 1 1133 . 1 1 105 105 THR C C 13 174.861 0.000 . 1 . . . A 149 THR C . 17398 1 1134 . 1 1 105 105 THR CA C 13 63.021 0.140 . 1 . . . A 149 THR CA . 17398 1 1135 . 1 1 105 105 THR CB C 13 69.193 0.057 . 1 . . . A 149 THR CB . 17398 1 1136 . 1 1 105 105 THR CG2 C 13 21.755 0.000 . . . . . A 149 THR CG2 . 17398 1 1137 . 1 1 105 105 THR N N 15 115.312 0.028 . 1 . . . A 149 THR N . 17398 1 1138 . 1 1 106 106 ASP H H 1 8.075 0.010 . 1 . . . A 150 ASP H . 17398 1 1139 . 1 1 106 106 ASP HA H 1 4.528 0.005 . 1 . . . A 150 ASP HA . 17398 1 1140 . 1 1 106 106 ASP HB2 H 1 2.717 0.009 . 2 . . . A 150 ASP HB2 . 17398 1 1141 . 1 1 106 106 ASP HB3 H 1 2.717 0.009 . 2 . . . A 150 ASP HB3 . 17398 1 1142 . 1 1 106 106 ASP C C 13 177.073 0.000 . 1 . . . A 150 ASP C . 17398 1 1143 . 1 1 106 106 ASP CA C 13 55.088 0.083 . 1 . . . A 150 ASP CA . 17398 1 1144 . 1 1 106 106 ASP CB C 13 40.640 0.090 . 1 . . . A 150 ASP CB . 17398 1 1145 . 1 1 106 106 ASP N N 15 122.506 0.073 . 1 . . . A 150 ASP N . 17398 1 stop_ save_