data_27785 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27785 _Entry.Title ; 1H, 13C and 15N resonance assignments for the first and second CUE domains from chromatin remodeler SMARCAD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-13 _Entry.Accession_date 2019-02-13 _Entry.Last_release_date 2019-02-13 _Entry.Original_release_date 2019-02-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR resonance assignments' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christina Redfield . . . . 27785 2 Antonio Biasutto . J. . . 27785 3 Erika Mancini . J. . . 27785 4 Phillip West . M. . . 27785 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27785 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 27785 '15N chemical shifts' 139 27785 '1H chemical shifts' 831 27785 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 . . 2019-09-20 2019-02-13 update BMRB 'update entry citation' 27785 1 . . 2019-04-12 2019-02-13 original author 'original release' 27785 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27780 'N-terminal extended region and first CUE domain from chromatin remodeler SMARCAD1' 27785 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27785 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30919308 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the tandem CUE domains from chromatin remodeler SMARCAD1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 261 _Citation.Page_last 265 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antonio Biasutto . J. . . 27785 1 2 Phillip West . M. . . 27785 1 3 Erika Mancini . J. . . 27785 1 4 Christina Redfield . . . . 27785 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CUE domain' 27785 1 NMR 27785 1 SMARCAD1 27785 1 'chromatin remodeller' 27785 1 'resonance assignment' 27785 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27785 _Assembly.ID 1 _Assembly.Name dCUE _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 'EC 3.6.4.12' _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 dCUE 1 $dCUE A . yes native no no . . . 27785 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dCUE _Entity.Sf_category entity _Entity.Sf_framecode dCUE _Entity.Entry_ID 27785 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dCUE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSQDPDISELE DLSELEDLKDAKLQTLKELF PQRSDNDLLKLIESTSTMDG AIAAALLMFGDAGGGPRKRK LSSSSEPYEEDEFNDDQSIK KTRLDHGEESNESAESSNNW EKQESIVLKLQKEFPNFDKQ ELREVLKEHEWMYTEALESL KVFAED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence starts at residue 130' _Entity.Polymer_author_seq_details 'Residues 130-143 are a non-native N-terminal His6 tag and a thrombin cleavage site.' _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment dCUE _Entity.Mutation none _Entity.EC_number 'EC 3.6.4.12' _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9H4L7 . SMARCAD1 . . . . . . . . . . . . . . 27785 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'CUE domains (recruitment domains) from chromatin remodeller' 27785 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 1 130 MET . 27785 1 2 131 GLY . 27785 1 3 132 SER . 27785 1 4 133 SER . 27785 1 5 134 HIS . 27785 1 6 135 HIS . 27785 1 7 136 HIS . 27785 1 8 137 HIS . 27785 1 9 138 HIS . 27785 1 10 139 HIS . 27785 1 11 140 SER . 27785 1 12 141 GLN . 27785 1 13 142 ASP . 27785 1 14 143 PRO . 27785 1 15 144 ASP . 27785 1 16 145 ILE . 27785 1 17 146 SER . 27785 1 18 147 GLU . 27785 1 19 148 LEU . 27785 1 20 149 GLU . 27785 1 21 150 ASP . 27785 1 22 151 LEU . 27785 1 23 152 SER . 27785 1 24 153 GLU . 27785 1 25 154 LEU . 27785 1 26 155 GLU . 27785 1 27 156 ASP . 27785 1 28 157 LEU . 27785 1 29 158 LYS . 27785 1 30 159 ASP . 27785 1 31 160 ALA . 27785 1 32 161 LYS . 27785 1 33 162 LEU . 27785 1 34 163 GLN . 27785 1 35 164 THR . 27785 1 36 165 LEU . 27785 1 37 166 LYS . 27785 1 38 167 GLU . 27785 1 39 168 LEU . 27785 1 40 169 PHE . 27785 1 41 170 PRO . 27785 1 42 171 GLN . 27785 1 43 172 ARG . 27785 1 44 173 SER . 27785 1 45 174 ASP . 27785 1 46 175 ASN . 27785 1 47 176 ASP . 27785 1 48 177 LEU . 27785 1 49 178 LEU . 27785 1 50 179 LYS . 27785 1 51 180 LEU . 27785 1 52 181 ILE . 27785 1 53 182 GLU . 27785 1 54 183 SER . 27785 1 55 184 THR . 27785 1 56 185 SER . 27785 1 57 186 THR . 27785 1 58 187 MET . 27785 1 59 188 ASP . 27785 1 60 189 GLY . 27785 1 61 190 ALA . 27785 1 62 191 ILE . 27785 1 63 192 ALA . 27785 1 64 193 ALA . 27785 1 65 194 ALA . 27785 1 66 195 LEU . 27785 1 67 196 LEU . 27785 1 68 197 MET . 27785 1 69 198 PHE . 27785 1 70 199 GLY . 27785 1 71 200 ASP . 27785 1 72 201 ALA . 27785 1 73 202 GLY . 27785 1 74 203 GLY . 27785 1 75 204 GLY . 27785 1 76 205 PRO . 27785 1 77 206 ARG . 27785 1 78 207 LYS . 27785 1 79 208 ARG . 27785 1 80 209 LYS . 27785 1 81 210 LEU . 27785 1 82 211 SER . 27785 1 83 212 SER . 27785 1 84 213 SER . 27785 1 85 214 SER . 27785 1 86 215 GLU . 27785 1 87 216 PRO . 27785 1 88 217 TYR . 27785 1 89 218 GLU . 27785 1 90 219 GLU . 27785 1 91 220 ASP . 27785 1 92 221 GLU . 27785 1 93 222 PHE . 27785 1 94 223 ASN . 27785 1 95 224 ASP . 27785 1 96 225 ASP . 27785 1 97 226 GLN . 27785 1 98 227 SER . 27785 1 99 228 ILE . 27785 1 100 229 LYS . 27785 1 101 230 LYS . 27785 1 102 231 THR . 27785 1 103 232 ARG . 27785 1 104 233 LEU . 27785 1 105 234 ASP . 27785 1 106 235 HIS . 27785 1 107 236 GLY . 27785 1 108 237 GLU . 27785 1 109 238 GLU . 27785 1 110 239 SER . 27785 1 111 240 ASN . 27785 1 112 241 GLU . 27785 1 113 242 SER . 27785 1 114 243 ALA . 27785 1 115 244 GLU . 27785 1 116 245 SER . 27785 1 117 246 SER . 27785 1 118 247 ASN . 27785 1 119 248 ASN . 27785 1 120 249 TRP . 27785 1 121 250 GLU . 27785 1 122 251 LYS . 27785 1 123 252 GLN . 27785 1 124 253 GLU . 27785 1 125 254 SER . 27785 1 126 255 ILE . 27785 1 127 256 VAL . 27785 1 128 257 LEU . 27785 1 129 258 LYS . 27785 1 130 259 LEU . 27785 1 131 260 GLN . 27785 1 132 261 LYS . 27785 1 133 262 GLU . 27785 1 134 263 PHE . 27785 1 135 264 PRO . 27785 1 136 265 ASN . 27785 1 137 266 PHE . 27785 1 138 267 ASP . 27785 1 139 268 LYS . 27785 1 140 269 GLN . 27785 1 141 270 GLU . 27785 1 142 271 LEU . 27785 1 143 272 ARG . 27785 1 144 273 GLU . 27785 1 145 274 VAL . 27785 1 146 275 LEU . 27785 1 147 276 LYS . 27785 1 148 277 GLU . 27785 1 149 278 HIS . 27785 1 150 279 GLU . 27785 1 151 280 TRP . 27785 1 152 281 MET . 27785 1 153 282 TYR . 27785 1 154 283 THR . 27785 1 155 284 GLU . 27785 1 156 285 ALA . 27785 1 157 286 LEU . 27785 1 158 287 GLU . 27785 1 159 288 SER . 27785 1 160 289 LEU . 27785 1 161 290 LYS . 27785 1 162 291 VAL . 27785 1 163 292 PHE . 27785 1 164 293 ALA . 27785 1 165 294 GLU . 27785 1 166 295 ASP . 27785 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27785 1 . GLY 2 2 27785 1 . SER 3 3 27785 1 . SER 4 4 27785 1 . HIS 5 5 27785 1 . HIS 6 6 27785 1 . HIS 7 7 27785 1 . HIS 8 8 27785 1 . HIS 9 9 27785 1 . HIS 10 10 27785 1 . SER 11 11 27785 1 . GLN 12 12 27785 1 . ASP 13 13 27785 1 . PRO 14 14 27785 1 . ASP 15 15 27785 1 . ILE 16 16 27785 1 . SER 17 17 27785 1 . GLU 18 18 27785 1 . LEU 19 19 27785 1 . GLU 20 20 27785 1 . ASP 21 21 27785 1 . LEU 22 22 27785 1 . SER 23 23 27785 1 . GLU 24 24 27785 1 . LEU 25 25 27785 1 . GLU 26 26 27785 1 . ASP 27 27 27785 1 . LEU 28 28 27785 1 . LYS 29 29 27785 1 . ASP 30 30 27785 1 . ALA 31 31 27785 1 . LYS 32 32 27785 1 . LEU 33 33 27785 1 . GLN 34 34 27785 1 . THR 35 35 27785 1 . LEU 36 36 27785 1 . LYS 37 37 27785 1 . GLU 38 38 27785 1 . LEU 39 39 27785 1 . PHE 40 40 27785 1 . PRO 41 41 27785 1 . GLN 42 42 27785 1 . ARG 43 43 27785 1 . SER 44 44 27785 1 . ASP 45 45 27785 1 . ASN 46 46 27785 1 . ASP 47 47 27785 1 . LEU 48 48 27785 1 . LEU 49 49 27785 1 . LYS 50 50 27785 1 . LEU 51 51 27785 1 . ILE 52 52 27785 1 . GLU 53 53 27785 1 . SER 54 54 27785 1 . THR 55 55 27785 1 . SER 56 56 27785 1 . THR 57 57 27785 1 . MET 58 58 27785 1 . ASP 59 59 27785 1 . GLY 60 60 27785 1 . ALA 61 61 27785 1 . ILE 62 62 27785 1 . ALA 63 63 27785 1 . ALA 64 64 27785 1 . ALA 65 65 27785 1 . LEU 66 66 27785 1 . LEU 67 67 27785 1 . MET 68 68 27785 1 . PHE 69 69 27785 1 . GLY 70 70 27785 1 . ASP 71 71 27785 1 . ALA 72 72 27785 1 . GLY 73 73 27785 1 . GLY 74 74 27785 1 . GLY 75 75 27785 1 . PRO 76 76 27785 1 . ARG 77 77 27785 1 . LYS 78 78 27785 1 . ARG 79 79 27785 1 . LYS 80 80 27785 1 . LEU 81 81 27785 1 . SER 82 82 27785 1 . SER 83 83 27785 1 . SER 84 84 27785 1 . SER 85 85 27785 1 . GLU 86 86 27785 1 . PRO 87 87 27785 1 . TYR 88 88 27785 1 . GLU 89 89 27785 1 . GLU 90 90 27785 1 . ASP 91 91 27785 1 . GLU 92 92 27785 1 . PHE 93 93 27785 1 . ASN 94 94 27785 1 . ASP 95 95 27785 1 . ASP 96 96 27785 1 . GLN 97 97 27785 1 . SER 98 98 27785 1 . ILE 99 99 27785 1 . LYS 100 100 27785 1 . LYS 101 101 27785 1 . THR 102 102 27785 1 . ARG 103 103 27785 1 . LEU 104 104 27785 1 . ASP 105 105 27785 1 . HIS 106 106 27785 1 . GLY 107 107 27785 1 . GLU 108 108 27785 1 . GLU 109 109 27785 1 . SER 110 110 27785 1 . ASN 111 111 27785 1 . GLU 112 112 27785 1 . SER 113 113 27785 1 . ALA 114 114 27785 1 . GLU 115 115 27785 1 . SER 116 116 27785 1 . SER 117 117 27785 1 . ASN 118 118 27785 1 . ASN 119 119 27785 1 . TRP 120 120 27785 1 . GLU 121 121 27785 1 . LYS 122 122 27785 1 . GLN 123 123 27785 1 . GLU 124 124 27785 1 . SER 125 125 27785 1 . ILE 126 126 27785 1 . VAL 127 127 27785 1 . LEU 128 128 27785 1 . LYS 129 129 27785 1 . LEU 130 130 27785 1 . GLN 131 131 27785 1 . LYS 132 132 27785 1 . GLU 133 133 27785 1 . PHE 134 134 27785 1 . PRO 135 135 27785 1 . ASN 136 136 27785 1 . PHE 137 137 27785 1 . ASP 138 138 27785 1 . LYS 139 139 27785 1 . GLN 140 140 27785 1 . GLU 141 141 27785 1 . LEU 142 142 27785 1 . ARG 143 143 27785 1 . GLU 144 144 27785 1 . VAL 145 145 27785 1 . LEU 146 146 27785 1 . LYS 147 147 27785 1 . GLU 148 148 27785 1 . HIS 149 149 27785 1 . GLU 150 150 27785 1 . TRP 151 151 27785 1 . MET 152 152 27785 1 . TYR 153 153 27785 1 . THR 154 154 27785 1 . GLU 155 155 27785 1 . ALA 156 156 27785 1 . LEU 157 157 27785 1 . GLU 158 158 27785 1 . SER 159 159 27785 1 . LEU 160 160 27785 1 . LYS 161 161 27785 1 . VAL 162 162 27785 1 . PHE 163 163 27785 1 . ALA 164 164 27785 1 . GLU 165 165 27785 1 . ASP 166 166 27785 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 27785 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dCUE . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27785 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 27785 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dCUE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 DE3 pLysS' . . . . . pET-DUET-1 . . . 27785 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27785 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 dCUE '[U-99% 15N]' . . 1 $dCUE . . 0.5 . . mM 0.05 . . . 27785 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27785 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27785 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27785 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 dCUE '[U-99% 13C; U-99% 15N]' . . 1 $dCUE . . 0.5 . . mM 0.05 . . . 27785 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27785 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27785 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 27785 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 160 . mM 27785 1 pH 7.0 . pH 27785 1 pressure 1 . atm 27785 1 temperature 293 . K 27785 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27785 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27785 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27785 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27785 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27785 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27785 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27785 _Software.ID 3 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27785 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27785 3 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 27785 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27785 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 27785 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Avance . 500 . . . 27785 1 2 spectrometer_2 Home-built OMEGA . 750 . . . 27785 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 27785 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 10 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27785 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 14 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27785 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27785 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.80 internal indirect 0.251449530 . . . . . 27785 1 H 1 water protons . . . . ppm 4.80 internal direct 1.0 . . . . . 27785 1 N 15 water protons . . . . ppm 4.80 internal indirect 0.101329118 . . . . . 27785 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 27785 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 4 '2D 1H-15N HSQC' . . . 27785 1 5 '3D HNCO' . . . 27785 1 10 '3D CBCANH' . . . 27785 1 11 '3D HBHA(CO)NH' . . . 27785 1 14 '3D H(CCO)NH' . . . 27785 1 15 '3D HCCH-TOCSY' . . . 27785 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CCPN_Analysis . . 27785 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 SER HA H 1 4.346 0.000 . 1 . . . . . 140 SER HA . 27785 1 2 . 1 1 11 11 SER HB2 H 1 3.795 0.000 . 1 . . . . . 140 SER HB2 . 27785 1 3 . 1 1 11 11 SER HB3 H 1 3.795 0.000 . 1 . . . . . 140 SER HB3 . 27785 1 4 . 1 1 11 11 SER CA C 13 58.725 0.030 . 1 . . . . . 140 SER CA . 27785 1 5 . 1 1 11 11 SER CB C 13 63.887 0.058 . 1 . . . . . 140 SER CB . 27785 1 6 . 1 1 12 12 GLN H H 1 8.483 0.002 . 1 . . . . . 141 GLN H . 27785 1 7 . 1 1 12 12 GLN HA H 1 4.332 0.016 . 1 . . . . . 141 GLN HA . 27785 1 8 . 1 1 12 12 GLN HB2 H 1 2.088 0.007 . 2 . . . . . 141 GLN HB2 . 27785 1 9 . 1 1 12 12 GLN HB3 H 1 1.923 0.006 . 2 . . . . . 141 GLN HB3 . 27785 1 10 . 1 1 12 12 GLN HG2 H 1 2.259 0.005 . 2 . . . . . 141 GLN HG2 . 27785 1 11 . 1 1 12 12 GLN HG3 H 1 2.299 0.003 . 2 . . . . . 141 GLN HG3 . 27785 1 12 . 1 1 12 12 GLN HE21 H 1 7.552 0.004 . 1 . . . . . 141 GLN HE21 . 27785 1 13 . 1 1 12 12 GLN HE22 H 1 6.839 0.008 . 1 . . . . . 141 GLN HE22 . 27785 1 14 . 1 1 12 12 GLN C C 13 175.327 0.014 . 1 . . . . . 141 GLN C . 27785 1 15 . 1 1 12 12 GLN CA C 13 55.862 0.126 . 1 . . . . . 141 GLN CA . 27785 1 16 . 1 1 12 12 GLN CB C 13 29.574 0.174 . 1 . . . . . 141 GLN CB . 27785 1 17 . 1 1 12 12 GLN CG C 13 33.934 0.018 . 1 . . . . . 141 GLN CG . 27785 1 18 . 1 1 12 12 GLN N N 15 121.079 0.026 . 1 . . . . . 141 GLN N . 27785 1 19 . 1 1 12 12 GLN NE2 N 15 112.022 0.025 . 1 . . . . . 141 GLN NE2 . 27785 1 20 . 1 1 13 13 ASP H H 1 8.300 0.006 . 1 . . . . . 142 ASP H . 27785 1 21 . 1 1 13 13 ASP HA H 1 4.807 0.000 . 1 . . . . . 142 ASP HA . 27785 1 22 . 1 1 13 13 ASP HB2 H 1 2.755 0.017 . 2 . . . . . 142 ASP HB2 . 27785 1 23 . 1 1 13 13 ASP HB3 H 1 2.489 0.015 . 2 . . . . . 142 ASP HB3 . 27785 1 24 . 1 1 13 13 ASP C C 13 174.445 0.000 . 1 . . . . . 142 ASP C . 27785 1 25 . 1 1 13 13 ASP CA C 13 52.687 0.012 . 1 . . . . . 142 ASP CA . 27785 1 26 . 1 1 13 13 ASP CB C 13 40.915 0.144 . 1 . . . . . 142 ASP CB . 27785 1 27 . 1 1 13 13 ASP N N 15 122.533 0.045 . 1 . . . . . 142 ASP N . 27785 1 28 . 1 1 14 14 PRO HA H 1 4.351 0.000 . 1 . . . . . 143 PRO HA . 27785 1 29 . 1 1 14 14 PRO HB2 H 1 2.201 0.000 . 2 . . . . . 143 PRO HB2 . 27785 1 30 . 1 1 14 14 PRO HB3 H 1 1.876 0.000 . 2 . . . . . 143 PRO HB3 . 27785 1 31 . 1 1 14 14 PRO C C 13 176.701 0.000 . 1 . . . . . 143 PRO C . 27785 1 32 . 1 1 14 14 PRO CA C 13 63.543 0.000 . 1 . . . . . 143 PRO CA . 27785 1 33 . 1 1 14 14 PRO CB C 13 32.272 0.000 . 1 . . . . . 143 PRO CB . 27785 1 34 . 1 1 14 14 PRO CG C 13 27.316 0.000 . 1 . . . . . 143 PRO CG . 27785 1 35 . 1 1 15 15 ASP H H 1 8.478 0.006 . 1 . . . . . 144 ASP H . 27785 1 36 . 1 1 15 15 ASP HA H 1 4.580 0.019 . 1 . . . . . 144 ASP HA . 27785 1 37 . 1 1 15 15 ASP HB2 H 1 2.589 0.017 . 2 . . . . . 144 ASP HB2 . 27785 1 38 . 1 1 15 15 ASP HB3 H 1 2.694 0.025 . 2 . . . . . 144 ASP HB3 . 27785 1 39 . 1 1 15 15 ASP C C 13 176.512 0.002 . 1 . . . . . 144 ASP C . 27785 1 40 . 1 1 15 15 ASP CA C 13 54.655 0.043 . 1 . . . . . 144 ASP CA . 27785 1 41 . 1 1 15 15 ASP CB C 13 41.327 0.022 . 1 . . . . . 144 ASP CB . 27785 1 42 . 1 1 15 15 ASP N N 15 119.377 0.049 . 1 . . . . . 144 ASP N . 27785 1 43 . 1 1 16 16 ILE H H 1 7.939 0.011 . 1 . . . . . 145 ILE H . 27785 1 44 . 1 1 16 16 ILE HA H 1 4.178 0.018 . 1 . . . . . 145 ILE HA . 27785 1 45 . 1 1 16 16 ILE HB H 1 1.909 0.010 . 1 . . . . . 145 ILE HB . 27785 1 46 . 1 1 16 16 ILE HG12 H 1 1.157 0.000 . 2 . . . . . 145 ILE HG12 . 27785 1 47 . 1 1 16 16 ILE HG13 H 1 1.409 0.010 . 2 . . . . . 145 ILE HG13 . 27785 1 48 . 1 1 16 16 ILE HG21 H 1 0.877 0.001 . 1 . . . . . 145 ILE HG21 . 27785 1 49 . 1 1 16 16 ILE HG22 H 1 0.877 0.001 . 1 . . . . . 145 ILE HG22 . 27785 1 50 . 1 1 16 16 ILE HG23 H 1 0.877 0.001 . 1 . . . . . 145 ILE HG23 . 27785 1 51 . 1 1 16 16 ILE HD11 H 1 0.830 0.002 . 1 . . . . . 145 ILE HD11 . 27785 1 52 . 1 1 16 16 ILE HD12 H 1 0.830 0.002 . 1 . . . . . 145 ILE HD12 . 27785 1 53 . 1 1 16 16 ILE HD13 H 1 0.830 0.002 . 1 . . . . . 145 ILE HD13 . 27785 1 54 . 1 1 16 16 ILE C C 13 176.362 0.009 . 1 . . . . . 145 ILE C . 27785 1 55 . 1 1 16 16 ILE CA C 13 61.485 0.032 . 1 . . . . . 145 ILE CA . 27785 1 56 . 1 1 16 16 ILE CB C 13 38.716 0.031 . 1 . . . . . 145 ILE CB . 27785 1 57 . 1 1 16 16 ILE CG1 C 13 27.224 0.000 . 1 . . . . . 145 ILE CG1 . 27785 1 58 . 1 1 16 16 ILE CG2 C 13 17.509 0.077 . 1 . . . . . 145 ILE CG2 . 27785 1 59 . 1 1 16 16 ILE CD1 C 13 13.101 0.108 . 1 . . . . . 145 ILE CD1 . 27785 1 60 . 1 1 16 16 ILE N N 15 120.082 0.036 . 1 . . . . . 145 ILE N . 27785 1 61 . 1 1 17 17 SER H H 1 8.404 0.032 . 1 . . . . . 146 SER H . 27785 1 62 . 1 1 17 17 SER HA H 1 4.396 0.016 . 1 . . . . . 146 SER HA . 27785 1 63 . 1 1 17 17 SER HB2 H 1 3.903 0.007 . 2 . . . . . 146 SER HB2 . 27785 1 64 . 1 1 17 17 SER HB3 H 1 3.851 0.014 . 2 . . . . . 146 SER HB3 . 27785 1 65 . 1 1 17 17 SER C C 13 174.768 0.024 . 1 . . . . . 146 SER C . 27785 1 66 . 1 1 17 17 SER CA C 13 59.107 0.132 . 1 . . . . . 146 SER CA . 27785 1 67 . 1 1 17 17 SER CB C 13 63.854 0.016 . 1 . . . . . 146 SER CB . 27785 1 68 . 1 1 17 17 SER N N 15 118.888 0.037 . 1 . . . . . 146 SER N . 27785 1 69 . 1 1 18 18 GLU H H 1 8.385 0.004 . 1 . . . . . 147 GLU H . 27785 1 70 . 1 1 18 18 GLU HA H 1 4.329 0.000 . 1 . . . . . 147 GLU HA . 27785 1 71 . 1 1 18 18 GLU HB2 H 1 1.926 0.021 . 2 . . . . . 147 GLU HB2 . 27785 1 72 . 1 1 18 18 GLU HB3 H 1 2.068 0.019 . 2 . . . . . 147 GLU HB3 . 27785 1 73 . 1 1 18 18 GLU HG3 H 1 2.243 0.000 . 1 . . . . . 147 GLU HG3 . 27785 1 74 . 1 1 18 18 GLU C C 13 176.431 0.013 . 1 . . . . . 147 GLU C . 27785 1 75 . 1 1 18 18 GLU CA C 13 56.775 0.019 . 1 . . . . . 147 GLU CA . 27785 1 76 . 1 1 18 18 GLU CB C 13 30.228 0.069 . 1 . . . . . 147 GLU CB . 27785 1 77 . 1 1 18 18 GLU CG C 13 36.329 0.000 . 1 . . . . . 147 GLU CG . 27785 1 78 . 1 1 18 18 GLU N N 15 122.027 0.023 . 1 . . . . . 147 GLU N . 27785 1 79 . 1 1 19 19 LEU H H 1 8.085 0.005 . 1 . . . . . 148 LEU H . 27785 1 80 . 1 1 19 19 LEU HA H 1 4.320 0.000 . 1 . . . . . 148 LEU HA . 27785 1 81 . 1 1 19 19 LEU HB2 H 1 1.626 0.000 . 2 . . . . . 148 LEU HB2 . 27785 1 82 . 1 1 19 19 LEU HB3 H 1 1.595 0.043 . 2 . . . . . 148 LEU HB3 . 27785 1 83 . 1 1 19 19 LEU HG H 1 1.611 0.002 . 1 . . . . . 148 LEU HG . 27785 1 84 . 1 1 19 19 LEU HD11 H 1 0.822 0.002 . 2 . . . . . 148 LEU HD11 . 27785 1 85 . 1 1 19 19 LEU HD12 H 1 0.822 0.002 . 2 . . . . . 148 LEU HD12 . 27785 1 86 . 1 1 19 19 LEU HD13 H 1 0.822 0.002 . 2 . . . . . 148 LEU HD13 . 27785 1 87 . 1 1 19 19 LEU HD21 H 1 0.875 0.000 . 2 . . . . . 148 LEU HD21 . 27785 1 88 . 1 1 19 19 LEU HD22 H 1 0.875 0.000 . 2 . . . . . 148 LEU HD22 . 27785 1 89 . 1 1 19 19 LEU HD23 H 1 0.875 0.000 . 2 . . . . . 148 LEU HD23 . 27785 1 90 . 1 1 19 19 LEU C C 13 177.466 0.012 . 1 . . . . . 148 LEU C . 27785 1 91 . 1 1 19 19 LEU CA C 13 55.488 0.016 . 1 . . . . . 148 LEU CA . 27785 1 92 . 1 1 19 19 LEU CB C 13 42.442 0.079 . 1 . . . . . 148 LEU CB . 27785 1 93 . 1 1 19 19 LEU CG C 13 27.441 0.000 . 1 . . . . . 148 LEU CG . 27785 1 94 . 1 1 19 19 LEU CD1 C 13 23.589 0.000 . 2 . . . . . 148 LEU CD1 . 27785 1 95 . 1 1 19 19 LEU CD2 C 13 25.034 0.000 . 2 . . . . . 148 LEU CD2 . 27785 1 96 . 1 1 19 19 LEU N N 15 121.487 0.025 . 1 . . . . . 148 LEU N . 27785 1 97 . 1 1 20 20 GLU H H 1 8.319 0.011 . 1 . . . . . 149 GLU H . 27785 1 98 . 1 1 20 20 GLU HB2 H 1 1.981 0.000 . 1 . . . . . 149 GLU HB2 . 27785 1 99 . 1 1 20 20 GLU HG3 H 1 2.685 0.000 . 1 . . . . . 149 GLU HG3 . 27785 1 100 . 1 1 20 20 GLU C C 13 176.052 0.041 . 1 . . . . . 149 GLU C . 27785 1 101 . 1 1 20 20 GLU CA C 13 56.964 0.035 . 1 . . . . . 149 GLU CA . 27785 1 102 . 1 1 20 20 GLU CB C 13 30.549 0.000 . 1 . . . . . 149 GLU CB . 27785 1 103 . 1 1 20 20 GLU N N 15 120.669 0.188 . 1 . . . . . 149 GLU N . 27785 1 104 . 1 1 21 21 ASP H H 1 8.375 0.014 . 1 . . . . . 150 ASP H . 27785 1 105 . 1 1 21 21 ASP HA H 1 4.632 0.000 . 1 . . . . . 150 ASP HA . 27785 1 106 . 1 1 21 21 ASP HB2 H 1 2.788 0.000 . 2 . . . . . 150 ASP HB2 . 27785 1 107 . 1 1 21 21 ASP HB3 H 1 2.620 0.000 . 2 . . . . . 150 ASP HB3 . 27785 1 108 . 1 1 21 21 ASP C C 13 176.460 0.018 . 1 . . . . . 150 ASP C . 27785 1 109 . 1 1 21 21 ASP CA C 13 54.278 0.009 . 1 . . . . . 150 ASP CA . 27785 1 110 . 1 1 21 21 ASP CB C 13 41.292 0.000 . 1 . . . . . 150 ASP CB . 27785 1 111 . 1 1 21 21 ASP N N 15 120.844 0.026 . 1 . . . . . 150 ASP N . 27785 1 112 . 1 1 22 22 LEU H H 1 8.359 0.005 . 1 . . . . . 151 LEU H . 27785 1 113 . 1 1 22 22 LEU HA H 1 4.341 0.020 . 1 . . . . . 151 LEU HA . 27785 1 114 . 1 1 22 22 LEU HB2 H 1 1.675 0.021 . 2 . . . . . 151 LEU HB2 . 27785 1 115 . 1 1 22 22 LEU HB3 H 1 1.633 0.000 . 2 . . . . . 151 LEU HB3 . 27785 1 116 . 1 1 22 22 LEU HD11 H 1 0.894 0.001 . 2 . . . . . 151 LEU HD11 . 27785 1 117 . 1 1 22 22 LEU HD12 H 1 0.894 0.001 . 2 . . . . . 151 LEU HD12 . 27785 1 118 . 1 1 22 22 LEU HD13 H 1 0.894 0.001 . 2 . . . . . 151 LEU HD13 . 27785 1 119 . 1 1 22 22 LEU HD21 H 1 0.891 0.000 . 2 . . . . . 151 LEU HD21 . 27785 1 120 . 1 1 22 22 LEU HD22 H 1 0.891 0.000 . 2 . . . . . 151 LEU HD22 . 27785 1 121 . 1 1 22 22 LEU HD23 H 1 0.891 0.000 . 2 . . . . . 151 LEU HD23 . 27785 1 122 . 1 1 22 22 LEU C C 13 178.128 0.021 . 1 . . . . . 151 LEU C . 27785 1 123 . 1 1 22 22 LEU CA C 13 55.701 0.085 . 1 . . . . . 151 LEU CA . 27785 1 124 . 1 1 22 22 LEU CB C 13 42.068 0.072 . 1 . . . . . 151 LEU CB . 27785 1 125 . 1 1 22 22 LEU CG C 13 27.198 0.000 . 1 . . . . . 151 LEU CG . 27785 1 126 . 1 1 22 22 LEU CD1 C 13 25.151 0.071 . 2 . . . . . 151 LEU CD1 . 27785 1 127 . 1 1 22 22 LEU CD2 C 13 23.446 0.000 . 2 . . . . . 151 LEU CD2 . 27785 1 128 . 1 1 22 22 LEU N N 15 123.346 0.033 . 1 . . . . . 151 LEU N . 27785 1 129 . 1 1 23 23 SER H H 1 8.404 0.006 . 1 . . . . . 152 SER H . 27785 1 130 . 1 1 23 23 SER HA H 1 4.303 0.017 . 1 . . . . . 152 SER HA . 27785 1 131 . 1 1 23 23 SER HB2 H 1 3.890 0.004 . 2 . . . . . 152 SER HB2 . 27785 1 132 . 1 1 23 23 SER HB3 H 1 3.891 0.003 . 2 . . . . . 152 SER HB3 . 27785 1 133 . 1 1 23 23 SER C C 13 175.253 0.034 . 1 . . . . . 152 SER C . 27785 1 134 . 1 1 23 23 SER CA C 13 60.001 0.150 . 1 . . . . . 152 SER CA . 27785 1 135 . 1 1 23 23 SER CB C 13 63.397 0.036 . 1 . . . . . 152 SER CB . 27785 1 136 . 1 1 23 23 SER N N 15 116.167 0.052 . 1 . . . . . 152 SER N . 27785 1 137 . 1 1 24 24 GLU H H 1 8.353 0.018 . 1 . . . . . 153 GLU H . 27785 1 138 . 1 1 24 24 GLU HA H 1 4.278 0.014 . 1 . . . . . 153 GLU HA . 27785 1 139 . 1 1 24 24 GLU HB2 H 1 1.973 0.015 . 2 . . . . . 153 GLU HB2 . 27785 1 140 . 1 1 24 24 GLU HB3 H 1 2.098 0.018 . 2 . . . . . 153 GLU HB3 . 27785 1 141 . 1 1 24 24 GLU C C 13 177.268 0.012 . 1 . . . . . 153 GLU C . 27785 1 142 . 1 1 24 24 GLU CA C 13 57.396 0.016 . 1 . . . . . 153 GLU CA . 27785 1 143 . 1 1 24 24 GLU CB C 13 29.976 0.123 . 1 . . . . . 153 GLU CB . 27785 1 144 . 1 1 24 24 GLU N N 15 121.621 0.039 . 1 . . . . . 153 GLU N . 27785 1 145 . 1 1 25 25 LEU H H 1 8.019 0.009 . 1 . . . . . 154 LEU H . 27785 1 146 . 1 1 25 25 LEU HA H 1 4.225 0.028 . 1 . . . . . 154 LEU HA . 27785 1 147 . 1 1 25 25 LEU HB2 H 1 1.747 0.004 . 2 . . . . . 154 LEU HB2 . 27785 1 148 . 1 1 25 25 LEU HB3 H 1 1.751 0.000 . 2 . . . . . 154 LEU HB3 . 27785 1 149 . 1 1 25 25 LEU HG H 1 1.622 0.000 . 1 . . . . . 154 LEU HG . 27785 1 150 . 1 1 25 25 LEU C C 13 178.550 0.019 . 1 . . . . . 154 LEU C . 27785 1 151 . 1 1 25 25 LEU CA C 13 56.497 0.018 . 1 . . . . . 154 LEU CA . 27785 1 152 . 1 1 25 25 LEU CB C 13 42.232 0.000 . 1 . . . . . 154 LEU CB . 27785 1 153 . 1 1 25 25 LEU N N 15 120.704 0.059 . 1 . . . . . 154 LEU N . 27785 1 154 . 1 1 26 26 GLU H H 1 8.298 0.013 . 1 . . . . . 155 GLU H . 27785 1 155 . 1 1 26 26 GLU HA H 1 4.159 0.018 . 1 . . . . . 155 GLU HA . 27785 1 156 . 1 1 26 26 GLU HB2 H 1 2.029 0.016 . 1 . . . . . 155 GLU HB2 . 27785 1 157 . 1 1 26 26 GLU C C 13 177.181 0.000 . 1 . . . . . 155 GLU C . 27785 1 158 . 1 1 26 26 GLU CA C 13 58.005 0.078 . 1 . . . . . 155 GLU CA . 27785 1 159 . 1 1 26 26 GLU CB C 13 30.275 0.051 . 1 . . . . . 155 GLU CB . 27785 1 160 . 1 1 26 26 GLU N N 15 120.371 0.094 . 1 . . . . . 155 GLU N . 27785 1 161 . 1 1 27 27 ASP H H 1 8.297 0.004 . 1 . . . . . 156 ASP H . 27785 1 162 . 1 1 27 27 ASP HA H 1 4.513 0.000 . 1 . . . . . 156 ASP HA . 27785 1 163 . 1 1 27 27 ASP HB2 H 1 2.690 0.000 . 1 . . . . . 156 ASP HB2 . 27785 1 164 . 1 1 27 27 ASP HB3 H 1 2.690 0.000 . 1 . . . . . 156 ASP HB3 . 27785 1 165 . 1 1 27 27 ASP C C 13 177.659 0.012 . 1 . . . . . 156 ASP C . 27785 1 166 . 1 1 27 27 ASP CA C 13 55.643 0.085 . 1 . . . . . 156 ASP CA . 27785 1 167 . 1 1 27 27 ASP CB C 13 40.901 0.079 . 1 . . . . . 156 ASP CB . 27785 1 168 . 1 1 27 27 ASP N N 15 120.378 0.027 . 1 . . . . . 156 ASP N . 27785 1 169 . 1 1 28 28 LEU H H 1 8.137 0.006 . 1 . . . . . 157 LEU H . 27785 1 170 . 1 1 28 28 LEU HA H 1 4.295 0.021 . 1 . . . . . 157 LEU HA . 27785 1 171 . 1 1 28 28 LEU HB2 H 1 1.717 0.000 . 2 . . . . . 157 LEU HB2 . 27785 1 172 . 1 1 28 28 LEU HB3 H 1 1.747 0.021 . 2 . . . . . 157 LEU HB3 . 27785 1 173 . 1 1 28 28 LEU HD11 H 1 0.903 0.031 . 2 . . . . . 157 LEU HD11 . 27785 1 174 . 1 1 28 28 LEU HD12 H 1 0.903 0.031 . 2 . . . . . 157 LEU HD12 . 27785 1 175 . 1 1 28 28 LEU HD13 H 1 0.903 0.031 . 2 . . . . . 157 LEU HD13 . 27785 1 176 . 1 1 28 28 LEU HD21 H 1 0.940 0.001 . 2 . . . . . 157 LEU HD21 . 27785 1 177 . 1 1 28 28 LEU HD22 H 1 0.940 0.001 . 2 . . . . . 157 LEU HD22 . 27785 1 178 . 1 1 28 28 LEU HD23 H 1 0.940 0.001 . 2 . . . . . 157 LEU HD23 . 27785 1 179 . 1 1 28 28 LEU C C 13 178.369 0.019 . 1 . . . . . 157 LEU C . 27785 1 180 . 1 1 28 28 LEU CA C 13 56.634 0.043 . 1 . . . . . 157 LEU CA . 27785 1 181 . 1 1 28 28 LEU CB C 13 42.164 0.032 . 1 . . . . . 157 LEU CB . 27785 1 182 . 1 1 28 28 LEU CG C 13 27.103 0.000 . 1 . . . . . 157 LEU CG . 27785 1 183 . 1 1 28 28 LEU CD1 C 13 23.820 0.000 . 2 . . . . . 157 LEU CD1 . 27785 1 184 . 1 1 28 28 LEU CD2 C 13 24.993 0.000 . 2 . . . . . 157 LEU CD2 . 27785 1 185 . 1 1 28 28 LEU N N 15 121.893 0.019 . 1 . . . . . 157 LEU N . 27785 1 186 . 1 1 29 29 LYS H H 1 8.074 0.009 . 1 . . . . . 158 LYS H . 27785 1 187 . 1 1 29 29 LYS HA H 1 3.902 0.023 . 1 . . . . . 158 LYS HA . 27785 1 188 . 1 1 29 29 LYS HB2 H 1 1.871 0.003 . 2 . . . . . 158 LYS HB2 . 27785 1 189 . 1 1 29 29 LYS HB3 H 1 1.875 0.005 . 2 . . . . . 158 LYS HB3 . 27785 1 190 . 1 1 29 29 LYS HG2 H 1 1.374 0.010 . 1 . . . . . 158 LYS HG2 . 27785 1 191 . 1 1 29 29 LYS HG3 H 1 1.374 0.010 . 1 . . . . . 158 LYS HG3 . 27785 1 192 . 1 1 29 29 LYS HD2 H 1 1.679 0.004 . 1 . . . . . 158 LYS HD2 . 27785 1 193 . 1 1 29 29 LYS HD3 H 1 1.679 0.004 . 1 . . . . . 158 LYS HD3 . 27785 1 194 . 1 1 29 29 LYS HE2 H 1 2.914 0.000 . 1 . . . . . 158 LYS HE2 . 27785 1 195 . 1 1 29 29 LYS HE3 H 1 2.914 0.000 . 1 . . . . . 158 LYS HE3 . 27785 1 196 . 1 1 29 29 LYS C C 13 177.835 0.013 . 1 . . . . . 158 LYS C . 27785 1 197 . 1 1 29 29 LYS CA C 13 59.999 0.070 . 1 . . . . . 158 LYS CA . 27785 1 198 . 1 1 29 29 LYS CB C 13 32.422 0.038 . 1 . . . . . 158 LYS CB . 27785 1 199 . 1 1 29 29 LYS CG C 13 24.842 0.000 . 1 . . . . . 158 LYS CG . 27785 1 200 . 1 1 29 29 LYS CD C 13 29.722 0.000 . 1 . . . . . 158 LYS CD . 27785 1 201 . 1 1 29 29 LYS CE C 13 41.764 0.000 . 1 . . . . . 158 LYS CE . 27785 1 202 . 1 1 29 29 LYS N N 15 120.483 0.061 . 1 . . . . . 158 LYS N . 27785 1 203 . 1 1 30 30 ASP H H 1 8.223 0.009 . 1 . . . . . 159 ASP H . 27785 1 204 . 1 1 30 30 ASP HA H 1 4.431 0.016 . 1 . . . . . 159 ASP HA . 27785 1 205 . 1 1 30 30 ASP HB3 H 1 2.684 0.009 . 1 . . . . . 159 ASP HB3 . 27785 1 206 . 1 1 30 30 ASP C C 13 178.061 0.027 . 1 . . . . . 159 ASP C . 27785 1 207 . 1 1 30 30 ASP CA C 13 57.022 0.000 . 1 . . . . . 159 ASP CA . 27785 1 208 . 1 1 30 30 ASP CB C 13 41.184 0.030 . 1 . . . . . 159 ASP CB . 27785 1 209 . 1 1 30 30 ASP N N 15 117.986 0.033 . 1 . . . . . 159 ASP N . 27785 1 210 . 1 1 31 31 ALA H H 1 8.013 0.012 . 1 . . . . . 160 ALA H . 27785 1 211 . 1 1 31 31 ALA HA H 1 4.152 0.020 . 1 . . . . . 160 ALA HA . 27785 1 212 . 1 1 31 31 ALA HB1 H 1 1.481 0.007 . 1 . . . . . 160 ALA HB1 . 27785 1 213 . 1 1 31 31 ALA HB2 H 1 1.481 0.007 . 1 . . . . . 160 ALA HB2 . 27785 1 214 . 1 1 31 31 ALA HB3 H 1 1.481 0.007 . 1 . . . . . 160 ALA HB3 . 27785 1 215 . 1 1 31 31 ALA C C 13 180.849 0.017 . 1 . . . . . 160 ALA C . 27785 1 216 . 1 1 31 31 ALA CA C 13 55.118 0.066 . 1 . . . . . 160 ALA CA . 27785 1 217 . 1 1 31 31 ALA CB C 13 18.364 0.155 . 1 . . . . . 160 ALA CB . 27785 1 218 . 1 1 31 31 ALA N N 15 122.397 0.032 . 1 . . . . . 160 ALA N . 27785 1 219 . 1 1 32 32 LYS H H 1 8.100 0.012 . 1 . . . . . 161 LYS H . 27785 1 220 . 1 1 32 32 LYS HA H 1 4.040 0.020 . 1 . . . . . 161 LYS HA . 27785 1 221 . 1 1 32 32 LYS HB2 H 1 1.639 0.007 . 2 . . . . . 161 LYS HB2 . 27785 1 222 . 1 1 32 32 LYS HB3 H 1 2.001 0.004 . 2 . . . . . 161 LYS HB3 . 27785 1 223 . 1 1 32 32 LYS HE2 H 1 2.761 0.009 . 1 . . . . . 161 LYS HE2 . 27785 1 224 . 1 1 32 32 LYS HE3 H 1 2.761 0.009 . 1 . . . . . 161 LYS HE3 . 27785 1 225 . 1 1 32 32 LYS C C 13 178.246 0.000 . 1 . . . . . 161 LYS C . 27785 1 226 . 1 1 32 32 LYS CA C 13 60.012 0.051 . 1 . . . . . 161 LYS CA . 27785 1 227 . 1 1 32 32 LYS CB C 13 33.325 0.091 . 1 . . . . . 161 LYS CB . 27785 1 228 . 1 1 32 32 LYS CE C 13 42.219 0.028 . 1 . . . . . 161 LYS CE . 27785 1 229 . 1 1 32 32 LYS N N 15 118.617 0.067 . 1 . . . . . 161 LYS N . 27785 1 230 . 1 1 33 33 LEU HA H 1 3.903 0.004 . 1 . . . . . 162 LEU HA . 27785 1 231 . 1 1 33 33 LEU HB2 H 1 1.385 0.007 . 2 . . . . . 162 LEU HB2 . 27785 1 232 . 1 1 33 33 LEU HB3 H 1 2.045 0.006 . 2 . . . . . 162 LEU HB3 . 27785 1 233 . 1 1 33 33 LEU HG H 1 1.469 0.018 . 1 . . . . . 162 LEU HG . 27785 1 234 . 1 1 33 33 LEU HD11 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD11 . 27785 1 235 . 1 1 33 33 LEU HD12 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD12 . 27785 1 236 . 1 1 33 33 LEU HD13 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD13 . 27785 1 237 . 1 1 33 33 LEU HD21 H 1 0.910 0.004 . 2 . . . . . 162 LEU HD21 . 27785 1 238 . 1 1 33 33 LEU HD22 H 1 0.910 0.004 . 2 . . . . . 162 LEU HD22 . 27785 1 239 . 1 1 33 33 LEU HD23 H 1 0.910 0.004 . 2 . . . . . 162 LEU HD23 . 27785 1 240 . 1 1 33 33 LEU C C 13 178.057 0.000 . 1 . . . . . 162 LEU C . 27785 1 241 . 1 1 33 33 LEU CA C 13 58.458 0.041 . 1 . . . . . 162 LEU CA . 27785 1 242 . 1 1 33 33 LEU CB C 13 41.182 0.053 . 1 . . . . . 162 LEU CB . 27785 1 243 . 1 1 33 33 LEU CG C 13 27.119 0.231 . 1 . . . . . 162 LEU CG . 27785 1 244 . 1 1 33 33 LEU CD1 C 13 25.897 0.000 . 2 . . . . . 162 LEU CD1 . 27785 1 245 . 1 1 33 33 LEU CD2 C 13 24.298 0.011 . 2 . . . . . 162 LEU CD2 . 27785 1 246 . 1 1 34 34 GLN H H 1 8.271 0.009 . 1 . . . . . 163 GLN H . 27785 1 247 . 1 1 34 34 GLN HA H 1 3.895 0.023 . 1 . . . . . 163 GLN HA . 27785 1 248 . 1 1 34 34 GLN HB3 H 1 2.133 0.024 . 1 . . . . . 163 GLN HB3 . 27785 1 249 . 1 1 34 34 GLN HG2 H 1 2.506 0.007 . 2 . . . . . 163 GLN HG2 . 27785 1 250 . 1 1 34 34 GLN HG3 H 1 2.429 0.003 . 2 . . . . . 163 GLN HG3 . 27785 1 251 . 1 1 34 34 GLN HE21 H 1 7.645 0.002 . 1 . . . . . 163 GLN HE21 . 27785 1 252 . 1 1 34 34 GLN HE22 H 1 6.859 0.000 . 1 . . . . . 163 GLN HE22 . 27785 1 253 . 1 1 34 34 GLN C C 13 178.808 0.014 . 1 . . . . . 163 GLN C . 27785 1 254 . 1 1 34 34 GLN CA C 13 58.947 0.082 . 1 . . . . . 163 GLN CA . 27785 1 255 . 1 1 34 34 GLN CB C 13 27.808 0.076 . 1 . . . . . 163 GLN CB . 27785 1 256 . 1 1 34 34 GLN CG C 13 33.502 0.004 . 1 . . . . . 163 GLN CG . 27785 1 257 . 1 1 34 34 GLN N N 15 116.330 0.051 . 1 . . . . . 163 GLN N . 27785 1 258 . 1 1 34 34 GLN NE2 N 15 112.769 0.009 . 1 . . . . . 163 GLN NE2 . 27785 1 259 . 1 1 35 35 THR H H 1 7.807 0.006 . 1 . . . . . 164 THR H . 27785 1 260 . 1 1 35 35 THR HA H 1 3.955 0.016 . 1 . . . . . 164 THR HA . 27785 1 261 . 1 1 35 35 THR HB H 1 4.313 0.021 . 1 . . . . . 164 THR HB . 27785 1 262 . 1 1 35 35 THR HG21 H 1 1.223 0.016 . 1 . . . . . 164 THR HG21 . 27785 1 263 . 1 1 35 35 THR HG22 H 1 1.223 0.016 . 1 . . . . . 164 THR HG22 . 27785 1 264 . 1 1 35 35 THR HG23 H 1 1.223 0.016 . 1 . . . . . 164 THR HG23 . 27785 1 265 . 1 1 35 35 THR C C 13 176.592 0.012 . 1 . . . . . 164 THR C . 27785 1 266 . 1 1 35 35 THR CA C 13 66.923 0.186 . 1 . . . . . 164 THR CA . 27785 1 267 . 1 1 35 35 THR CB C 13 68.775 0.119 . 1 . . . . . 164 THR CB . 27785 1 268 . 1 1 35 35 THR CG2 C 13 21.610 0.216 . 1 . . . . . 164 THR CG2 . 27785 1 269 . 1 1 35 35 THR N N 15 115.627 0.039 . 1 . . . . . 164 THR N . 27785 1 270 . 1 1 36 36 LEU H H 1 8.117 0.010 . 1 . . . . . 165 LEU H . 27785 1 271 . 1 1 36 36 LEU HA H 1 4.168 0.019 . 1 . . . . . 165 LEU HA . 27785 1 272 . 1 1 36 36 LEU HB2 H 1 1.733 0.008 . 2 . . . . . 165 LEU HB2 . 27785 1 273 . 1 1 36 36 LEU HB3 H 1 1.954 0.019 . 2 . . . . . 165 LEU HB3 . 27785 1 274 . 1 1 36 36 LEU HG H 1 1.872 0.003 . 1 . . . . . 165 LEU HG . 27785 1 275 . 1 1 36 36 LEU HD21 H 1 0.906 0.010 . 1 . . . . . 165 LEU HD21 . 27785 1 276 . 1 1 36 36 LEU HD22 H 1 0.906 0.010 . 1 . . . . . 165 LEU HD22 . 27785 1 277 . 1 1 36 36 LEU HD23 H 1 0.906 0.010 . 1 . . . . . 165 LEU HD23 . 27785 1 278 . 1 1 36 36 LEU C C 13 178.454 0.025 . 1 . . . . . 165 LEU C . 27785 1 279 . 1 1 36 36 LEU CA C 13 58.318 0.077 . 1 . . . . . 165 LEU CA . 27785 1 280 . 1 1 36 36 LEU CB C 13 42.590 0.034 . 1 . . . . . 165 LEU CB . 27785 1 281 . 1 1 36 36 LEU CG C 13 27.454 0.598 . 1 . . . . . 165 LEU CG . 27785 1 282 . 1 1 36 36 LEU CD2 C 13 26.288 0.066 . 1 . . . . . 165 LEU CD2 . 27785 1 283 . 1 1 36 36 LEU N N 15 120.266 0.069 . 1 . . . . . 165 LEU N . 27785 1 284 . 1 1 37 37 LYS H H 1 8.893 0.010 . 1 . . . . . 166 LYS H . 27785 1 285 . 1 1 37 37 LYS HA H 1 3.803 0.016 . 1 . . . . . 166 LYS HA . 27785 1 286 . 1 1 37 37 LYS HB2 H 1 1.833 0.007 . 2 . . . . . 166 LYS HB2 . 27785 1 287 . 1 1 37 37 LYS HB3 H 1 1.687 0.017 . 2 . . . . . 166 LYS HB3 . 27785 1 288 . 1 1 37 37 LYS C C 13 178.503 0.020 . 1 . . . . . 166 LYS C . 27785 1 289 . 1 1 37 37 LYS CA C 13 59.010 0.046 . 1 . . . . . 166 LYS CA . 27785 1 290 . 1 1 37 37 LYS CB C 13 32.126 0.045 . 1 . . . . . 166 LYS CB . 27785 1 291 . 1 1 37 37 LYS CG C 13 24.995 0.000 . 1 . . . . . 166 LYS CG . 27785 1 292 . 1 1 37 37 LYS CD C 13 29.280 0.000 . 1 . . . . . 166 LYS CD . 27785 1 293 . 1 1 37 37 LYS N N 15 119.325 0.046 . 1 . . . . . 166 LYS N . 27785 1 294 . 1 1 38 38 GLU H H 1 7.371 0.012 . 1 . . . . . 167 GLU H . 27785 1 295 . 1 1 38 38 GLU HA H 1 3.933 0.019 . 1 . . . . . 167 GLU HA . 27785 1 296 . 1 1 38 38 GLU HB2 H 1 2.037 0.022 . 2 . . . . . 167 GLU HB2 . 27785 1 297 . 1 1 38 38 GLU HB3 H 1 2.146 0.024 . 2 . . . . . 167 GLU HB3 . 27785 1 298 . 1 1 38 38 GLU HG2 H 1 2.206 0.005 . 2 . . . . . 167 GLU HG2 . 27785 1 299 . 1 1 38 38 GLU HG3 H 1 2.454 0.023 . 2 . . . . . 167 GLU HG3 . 27785 1 300 . 1 1 38 38 GLU C C 13 178.505 0.020 . 1 . . . . . 167 GLU C . 27785 1 301 . 1 1 38 38 GLU CA C 13 58.573 0.041 . 1 . . . . . 167 GLU CA . 27785 1 302 . 1 1 38 38 GLU CB C 13 29.699 0.094 . 1 . . . . . 167 GLU CB . 27785 1 303 . 1 1 38 38 GLU CG C 13 36.453 0.083 . 1 . . . . . 167 GLU CG . 27785 1 304 . 1 1 38 38 GLU N N 15 115.620 0.052 . 1 . . . . . 167 GLU N . 27785 1 305 . 1 1 39 39 LEU H H 1 7.184 0.008 . 1 . . . . . 168 LEU H . 27785 1 306 . 1 1 39 39 LEU HA H 1 3.915 0.021 . 1 . . . . . 168 LEU HA . 27785 1 307 . 1 1 39 39 LEU HB2 H 1 0.754 0.029 . 2 . . . . . 168 LEU HB2 . 27785 1 308 . 1 1 39 39 LEU HB3 H 1 1.671 0.020 . 2 . . . . . 168 LEU HB3 . 27785 1 309 . 1 1 39 39 LEU HD11 H 1 0.695 0.012 . 2 . . . . . 168 LEU HD11 . 27785 1 310 . 1 1 39 39 LEU HD12 H 1 0.695 0.012 . 2 . . . . . 168 LEU HD12 . 27785 1 311 . 1 1 39 39 LEU HD13 H 1 0.695 0.012 . 2 . . . . . 168 LEU HD13 . 27785 1 312 . 1 1 39 39 LEU HD21 H 1 0.836 0.005 . 2 . . . . . 168 LEU HD21 . 27785 1 313 . 1 1 39 39 LEU HD22 H 1 0.836 0.005 . 2 . . . . . 168 LEU HD22 . 27785 1 314 . 1 1 39 39 LEU HD23 H 1 0.836 0.005 . 2 . . . . . 168 LEU HD23 . 27785 1 315 . 1 1 39 39 LEU C C 13 176.696 0.016 . 1 . . . . . 168 LEU C . 27785 1 316 . 1 1 39 39 LEU CA C 13 56.558 0.085 . 1 . . . . . 168 LEU CA . 27785 1 317 . 1 1 39 39 LEU CB C 13 44.163 0.107 . 1 . . . . . 168 LEU CB . 27785 1 318 . 1 1 39 39 LEU CD1 C 13 22.703 0.106 . 2 . . . . . 168 LEU CD1 . 27785 1 319 . 1 1 39 39 LEU CD2 C 13 25.710 0.090 . 2 . . . . . 168 LEU CD2 . 27785 1 320 . 1 1 39 39 LEU N N 15 117.279 0.027 . 1 . . . . . 168 LEU N . 27785 1 321 . 1 1 40 40 PHE H H 1 8.070 0.010 . 1 . . . . . 169 PHE H . 27785 1 322 . 1 1 40 40 PHE HA H 1 4.944 0.012 . 1 . . . . . 169 PHE HA . 27785 1 323 . 1 1 40 40 PHE HB2 H 1 2.818 0.022 . 2 . . . . . 169 PHE HB2 . 27785 1 324 . 1 1 40 40 PHE HB3 H 1 2.907 0.010 . 2 . . . . . 169 PHE HB3 . 27785 1 325 . 1 1 40 40 PHE HD1 H 1 7.376 0.010 . 3 . . . . . 169 PHE HD1 . 27785 1 326 . 1 1 40 40 PHE HD2 H 1 7.376 0.010 . 3 . . . . . 169 PHE HD2 . 27785 1 327 . 1 1 40 40 PHE HE1 H 1 7.234 0.000 . 3 . . . . . 169 PHE HE1 . 27785 1 328 . 1 1 40 40 PHE HE2 H 1 7.234 0.000 . 3 . . . . . 169 PHE HE2 . 27785 1 329 . 1 1 40 40 PHE HZ H 1 7.185 0.000 . 1 . . . . . 169 PHE HZ . 27785 1 330 . 1 1 40 40 PHE C C 13 173.094 0.000 . 1 . . . . . 169 PHE C . 27785 1 331 . 1 1 40 40 PHE CA C 13 55.578 0.000 . 1 . . . . . 169 PHE CA . 27785 1 332 . 1 1 40 40 PHE CB C 13 39.081 0.000 . 1 . . . . . 169 PHE CB . 27785 1 333 . 1 1 40 40 PHE CD1 C 13 132.798 0.030 . 3 . . . . . 169 PHE CD1 . 27785 1 334 . 1 1 40 40 PHE CD2 C 13 132.798 0.030 . 3 . . . . . 169 PHE CD2 . 27785 1 335 . 1 1 40 40 PHE N N 15 115.719 0.054 . 1 . . . . . 169 PHE N . 27785 1 336 . 1 1 41 41 PRO HA H 1 4.571 0.002 . 1 . . . . . 170 PRO HA . 27785 1 337 . 1 1 41 41 PRO HB2 H 1 1.919 0.004 . 2 . . . . . 170 PRO HB2 . 27785 1 338 . 1 1 41 41 PRO HB3 H 1 2.330 0.003 . 2 . . . . . 170 PRO HB3 . 27785 1 339 . 1 1 41 41 PRO HD2 H 1 3.221 0.013 . 2 . . . . . 170 PRO HD2 . 27785 1 340 . 1 1 41 41 PRO HD3 H 1 3.478 0.017 . 2 . . . . . 170 PRO HD3 . 27785 1 341 . 1 1 41 41 PRO C C 13 178.089 0.000 . 1 . . . . . 170 PRO C . 27785 1 342 . 1 1 41 41 PRO CA C 13 64.647 0.039 . 1 . . . . . 170 PRO CA . 27785 1 343 . 1 1 41 41 PRO CB C 13 32.386 0.062 . 1 . . . . . 170 PRO CB . 27785 1 344 . 1 1 41 41 PRO CD C 13 50.288 0.045 . 1 . . . . . 170 PRO CD . 27785 1 345 . 1 1 42 42 GLN H H 1 8.656 0.011 . 1 . . . . . 171 GLN H . 27785 1 346 . 1 1 42 42 GLN HA H 1 4.307 0.013 . 1 . . . . . 171 GLN HA . 27785 1 347 . 1 1 42 42 GLN HB2 H 1 2.214 0.014 . 2 . . . . . 171 GLN HB2 . 27785 1 348 . 1 1 42 42 GLN HB3 H 1 2.002 0.015 . 2 . . . . . 171 GLN HB3 . 27785 1 349 . 1 1 42 42 GLN HG2 H 1 2.275 0.004 . 2 . . . . . 171 GLN HG2 . 27785 1 350 . 1 1 42 42 GLN HG3 H 1 2.372 0.004 . 2 . . . . . 171 GLN HG3 . 27785 1 351 . 1 1 42 42 GLN HE21 H 1 7.577 0.004 . 1 . . . . . 171 GLN HE21 . 27785 1 352 . 1 1 42 42 GLN HE22 H 1 6.954 0.000 . 1 . . . . . 171 GLN HE22 . 27785 1 353 . 1 1 42 42 GLN C C 13 176.284 0.019 . 1 . . . . . 171 GLN C . 27785 1 354 . 1 1 42 42 GLN CA C 13 56.246 0.140 . 1 . . . . . 171 GLN CA . 27785 1 355 . 1 1 42 42 GLN CB C 13 28.245 0.089 . 1 . . . . . 171 GLN CB . 27785 1 356 . 1 1 42 42 GLN CG C 13 34.347 0.092 . 1 . . . . . 171 GLN CG . 27785 1 357 . 1 1 42 42 GLN N N 15 114.598 0.047 . 1 . . . . . 171 GLN N . 27785 1 358 . 1 1 42 42 GLN NE2 N 15 111.597 0.013 . 1 . . . . . 171 GLN NE2 . 27785 1 359 . 1 1 43 43 ARG H H 1 7.500 0.012 . 1 . . . . . 172 ARG H . 27785 1 360 . 1 1 43 43 ARG HA H 1 4.428 0.010 . 1 . . . . . 172 ARG HA . 27785 1 361 . 1 1 43 43 ARG HB2 H 1 1.545 0.018 . 2 . . . . . 172 ARG HB2 . 27785 1 362 . 1 1 43 43 ARG HB3 H 1 1.765 0.016 . 2 . . . . . 172 ARG HB3 . 27785 1 363 . 1 1 43 43 ARG HG2 H 1 1.274 0.005 . 2 . . . . . 172 ARG HG2 . 27785 1 364 . 1 1 43 43 ARG HG3 H 1 0.706 0.000 . 2 . . . . . 172 ARG HG3 . 27785 1 365 . 1 1 43 43 ARG HD2 H 1 2.264 0.006 . 2 . . . . . 172 ARG HD2 . 27785 1 366 . 1 1 43 43 ARG HD3 H 1 2.607 0.004 . 2 . . . . . 172 ARG HD3 . 27785 1 367 . 1 1 43 43 ARG C C 13 175.542 0.012 . 1 . . . . . 172 ARG C . 27785 1 368 . 1 1 43 43 ARG CA C 13 53.002 0.068 . 1 . . . . . 172 ARG CA . 27785 1 369 . 1 1 43 43 ARG CB C 13 30.126 0.052 . 1 . . . . . 172 ARG CB . 27785 1 370 . 1 1 43 43 ARG CG C 13 25.771 0.060 . 1 . . . . . 172 ARG CG . 27785 1 371 . 1 1 43 43 ARG CD C 13 41.688 0.053 . 1 . . . . . 172 ARG CD . 27785 1 372 . 1 1 43 43 ARG N N 15 117.621 0.045 . 1 . . . . . 172 ARG N . 27785 1 373 . 1 1 44 44 SER H H 1 8.956 0.007 . 1 . . . . . 173 SER H . 27785 1 374 . 1 1 44 44 SER HA H 1 4.346 0.013 . 1 . . . . . 173 SER HA . 27785 1 375 . 1 1 44 44 SER HB2 H 1 3.965 0.006 . 1 . . . . . 173 SER HB2 . 27785 1 376 . 1 1 44 44 SER HB3 H 1 3.965 0.006 . 1 . . . . . 173 SER HB3 . 27785 1 377 . 1 1 44 44 SER C C 13 174.824 0.019 . 1 . . . . . 173 SER C . 27785 1 378 . 1 1 44 44 SER CA C 13 57.568 0.066 . 1 . . . . . 173 SER CA . 27785 1 379 . 1 1 44 44 SER CB C 13 64.964 0.081 . 1 . . . . . 173 SER CB . 27785 1 380 . 1 1 44 44 SER N N 15 117.460 0.037 . 1 . . . . . 173 SER N . 27785 1 381 . 1 1 45 45 ASP H H 1 8.901 0.009 . 1 . . . . . 174 ASP H . 27785 1 382 . 1 1 45 45 ASP HA H 1 4.179 0.016 . 1 . . . . . 174 ASP HA . 27785 1 383 . 1 1 45 45 ASP HB2 H 1 2.572 0.000 . 2 . . . . . 174 ASP HB2 . 27785 1 384 . 1 1 45 45 ASP HB3 H 1 2.608 0.021 . 2 . . . . . 174 ASP HB3 . 27785 1 385 . 1 1 45 45 ASP C C 13 178.126 0.016 . 1 . . . . . 174 ASP C . 27785 1 386 . 1 1 45 45 ASP CA C 13 58.109 0.047 . 1 . . . . . 174 ASP CA . 27785 1 387 . 1 1 45 45 ASP CB C 13 39.515 0.000 . 1 . . . . . 174 ASP CB . 27785 1 388 . 1 1 45 45 ASP N N 15 122.525 0.016 . 1 . . . . . 174 ASP N . 27785 1 389 . 1 1 46 46 ASN H H 1 8.405 0.007 . 1 . . . . . 175 ASN H . 27785 1 390 . 1 1 46 46 ASN HA H 1 4.349 0.016 . 1 . . . . . 175 ASN HA . 27785 1 391 . 1 1 46 46 ASN HB2 H 1 2.698 0.016 . 2 . . . . . 175 ASN HB2 . 27785 1 392 . 1 1 46 46 ASN HB3 H 1 2.682 0.002 . 2 . . . . . 175 ASN HB3 . 27785 1 393 . 1 1 46 46 ASN HD21 H 1 7.674 0.000 . 1 . . . . . 175 ASN HD21 . 27785 1 394 . 1 1 46 46 ASN HD22 H 1 6.984 0.000 . 1 . . . . . 175 ASN HD22 . 27785 1 395 . 1 1 46 46 ASN C C 13 177.629 0.011 . 1 . . . . . 175 ASN C . 27785 1 396 . 1 1 46 46 ASN CA C 13 56.768 0.031 . 1 . . . . . 175 ASN CA . 27785 1 397 . 1 1 46 46 ASN CB C 13 38.397 0.093 . 1 . . . . . 175 ASN CB . 27785 1 398 . 1 1 46 46 ASN N N 15 114.805 0.027 . 1 . . . . . 175 ASN N . 27785 1 399 . 1 1 46 46 ASN ND2 N 15 112.368 0.003 . 1 . . . . . 175 ASN ND2 . 27785 1 400 . 1 1 47 47 ASP H H 1 7.727 0.009 . 1 . . . . . 176 ASP H . 27785 1 401 . 1 1 47 47 ASP HA H 1 4.403 0.000 . 1 . . . . . 176 ASP HA . 27785 1 402 . 1 1 47 47 ASP HB2 H 1 2.558 0.017 . 2 . . . . . 176 ASP HB2 . 27785 1 403 . 1 1 47 47 ASP HB3 H 1 2.920 0.016 . 2 . . . . . 176 ASP HB3 . 27785 1 404 . 1 1 47 47 ASP C C 13 178.538 0.018 . 1 . . . . . 176 ASP C . 27785 1 405 . 1 1 47 47 ASP CA C 13 57.443 0.060 . 1 . . . . . 176 ASP CA . 27785 1 406 . 1 1 47 47 ASP CB C 13 40.898 0.047 . 1 . . . . . 176 ASP CB . 27785 1 407 . 1 1 47 47 ASP N N 15 119.357 0.042 . 1 . . . . . 176 ASP N . 27785 1 408 . 1 1 48 48 LEU H H 1 7.736 0.005 . 1 . . . . . 177 LEU H . 27785 1 409 . 1 1 48 48 LEU HA H 1 4.086 0.013 . 1 . . . . . 177 LEU HA . 27785 1 410 . 1 1 48 48 LEU HB3 H 1 1.914 0.015 . 1 . . . . . 177 LEU HB3 . 27785 1 411 . 1 1 48 48 LEU HD11 H 1 0.775 0.006 . 2 . . . . . 177 LEU HD11 . 27785 1 412 . 1 1 48 48 LEU HD12 H 1 0.775 0.006 . 2 . . . . . 177 LEU HD12 . 27785 1 413 . 1 1 48 48 LEU HD13 H 1 0.775 0.006 . 2 . . . . . 177 LEU HD13 . 27785 1 414 . 1 1 48 48 LEU HD21 H 1 0.847 0.001 . 2 . . . . . 177 LEU HD21 . 27785 1 415 . 1 1 48 48 LEU HD22 H 1 0.847 0.001 . 2 . . . . . 177 LEU HD22 . 27785 1 416 . 1 1 48 48 LEU HD23 H 1 0.847 0.001 . 2 . . . . . 177 LEU HD23 . 27785 1 417 . 1 1 48 48 LEU C C 13 179.134 0.010 . 1 . . . . . 177 LEU C . 27785 1 418 . 1 1 48 48 LEU CA C 13 57.644 0.097 . 1 . . . . . 177 LEU CA . 27785 1 419 . 1 1 48 48 LEU CB C 13 41.449 0.113 . 1 . . . . . 177 LEU CB . 27785 1 420 . 1 1 48 48 LEU CD1 C 13 21.962 0.047 . 2 . . . . . 177 LEU CD1 . 27785 1 421 . 1 1 48 48 LEU CD2 C 13 25.852 0.000 . 2 . . . . . 177 LEU CD2 . 27785 1 422 . 1 1 48 48 LEU N N 15 117.897 0.044 . 1 . . . . . 177 LEU N . 27785 1 423 . 1 1 49 49 LEU H H 1 8.989 0.008 . 1 . . . . . 178 LEU H . 27785 1 424 . 1 1 49 49 LEU HA H 1 4.010 0.000 . 1 . . . . . 178 LEU HA . 27785 1 425 . 1 1 49 49 LEU HB2 H 1 1.542 0.000 . 2 . . . . . 178 LEU HB2 . 27785 1 426 . 1 1 49 49 LEU HB3 H 1 1.816 0.030 . 2 . . . . . 178 LEU HB3 . 27785 1 427 . 1 1 49 49 LEU C C 13 179.267 0.026 . 1 . . . . . 178 LEU C . 27785 1 428 . 1 1 49 49 LEU CA C 13 58.295 0.087 . 1 . . . . . 178 LEU CA . 27785 1 429 . 1 1 49 49 LEU CB C 13 41.816 0.226 . 1 . . . . . 178 LEU CB . 27785 1 430 . 1 1 49 49 LEU N N 15 119.830 0.036 . 1 . . . . . 178 LEU N . 27785 1 431 . 1 1 50 50 LYS H H 1 7.561 0.009 . 1 . . . . . 179 LYS H . 27785 1 432 . 1 1 50 50 LYS HA H 1 4.089 0.000 . 1 . . . . . 179 LYS HA . 27785 1 433 . 1 1 50 50 LYS HB2 H 1 1.965 0.000 . 1 . . . . . 179 LYS HB2 . 27785 1 434 . 1 1 50 50 LYS HB3 H 1 1.965 0.000 . 1 . . . . . 179 LYS HB3 . 27785 1 435 . 1 1 50 50 LYS C C 13 179.808 0.019 . 1 . . . . . 179 LYS C . 27785 1 436 . 1 1 50 50 LYS CA C 13 59.388 0.060 . 1 . . . . . 179 LYS CA . 27785 1 437 . 1 1 50 50 LYS CB C 13 32.183 0.037 . 1 . . . . . 179 LYS CB . 27785 1 438 . 1 1 50 50 LYS N N 15 117.204 0.018 . 1 . . . . . 179 LYS N . 27785 1 439 . 1 1 51 51 LEU H H 1 7.298 0.012 . 1 . . . . . 180 LEU H . 27785 1 440 . 1 1 51 51 LEU HA H 1 4.008 0.016 . 1 . . . . . 180 LEU HA . 27785 1 441 . 1 1 51 51 LEU HB2 H 1 2.032 0.008 . 2 . . . . . 180 LEU HB2 . 27785 1 442 . 1 1 51 51 LEU HB3 H 1 1.360 0.009 . 2 . . . . . 180 LEU HB3 . 27785 1 443 . 1 1 51 51 LEU HG H 1 1.802 0.000 . 1 . . . . . 180 LEU HG . 27785 1 444 . 1 1 51 51 LEU HD11 H 1 0.679 0.002 . 2 . . . . . 180 LEU HD11 . 27785 1 445 . 1 1 51 51 LEU HD12 H 1 0.679 0.002 . 2 . . . . . 180 LEU HD12 . 27785 1 446 . 1 1 51 51 LEU HD13 H 1 0.679 0.002 . 2 . . . . . 180 LEU HD13 . 27785 1 447 . 1 1 51 51 LEU HD21 H 1 0.745 0.004 . 2 . . . . . 180 LEU HD21 . 27785 1 448 . 1 1 51 51 LEU HD22 H 1 0.745 0.004 . 2 . . . . . 180 LEU HD22 . 27785 1 449 . 1 1 51 51 LEU HD23 H 1 0.745 0.004 . 2 . . . . . 180 LEU HD23 . 27785 1 450 . 1 1 51 51 LEU C C 13 179.407 0.014 . 1 . . . . . 180 LEU C . 27785 1 451 . 1 1 51 51 LEU CA C 13 57.607 0.066 . 1 . . . . . 180 LEU CA . 27785 1 452 . 1 1 51 51 LEU CB C 13 41.711 0.272 . 1 . . . . . 180 LEU CB . 27785 1 453 . 1 1 51 51 LEU CG C 13 26.438 0.000 . 1 . . . . . 180 LEU CG . 27785 1 454 . 1 1 51 51 LEU CD1 C 13 23.168 0.117 . 2 . . . . . 180 LEU CD1 . 27785 1 455 . 1 1 51 51 LEU CD2 C 13 25.901 0.078 . 2 . . . . . 180 LEU CD2 . 27785 1 456 . 1 1 51 51 LEU N N 15 118.645 0.036 . 1 . . . . . 180 LEU N . 27785 1 457 . 1 1 52 52 ILE H H 1 7.872 0.007 . 1 . . . . . 181 ILE H . 27785 1 458 . 1 1 52 52 ILE HA H 1 3.549 0.017 . 1 . . . . . 181 ILE HA . 27785 1 459 . 1 1 52 52 ILE HB H 1 1.990 0.002 . 1 . . . . . 181 ILE HB . 27785 1 460 . 1 1 52 52 ILE HG12 H 1 1.696 0.005 . 2 . . . . . 181 ILE HG12 . 27785 1 461 . 1 1 52 52 ILE HG13 H 1 0.859 0.009 . 2 . . . . . 181 ILE HG13 . 27785 1 462 . 1 1 52 52 ILE HG21 H 1 0.860 0.009 . 1 . . . . . 181 ILE HG21 . 27785 1 463 . 1 1 52 52 ILE HG22 H 1 0.860 0.009 . 1 . . . . . 181 ILE HG22 . 27785 1 464 . 1 1 52 52 ILE HG23 H 1 0.860 0.009 . 1 . . . . . 181 ILE HG23 . 27785 1 465 . 1 1 52 52 ILE HD11 H 1 0.779 0.017 . 1 . . . . . 181 ILE HD11 . 27785 1 466 . 1 1 52 52 ILE HD12 H 1 0.779 0.017 . 1 . . . . . 181 ILE HD12 . 27785 1 467 . 1 1 52 52 ILE HD13 H 1 0.779 0.017 . 1 . . . . . 181 ILE HD13 . 27785 1 468 . 1 1 52 52 ILE C C 13 178.094 0.003 . 1 . . . . . 181 ILE C . 27785 1 469 . 1 1 52 52 ILE CA C 13 64.683 0.066 . 1 . . . . . 181 ILE CA . 27785 1 470 . 1 1 52 52 ILE CB C 13 38.330 0.073 . 1 . . . . . 181 ILE CB . 27785 1 471 . 1 1 52 52 ILE CG1 C 13 30.128 0.216 . 1 . . . . . 181 ILE CG1 . 27785 1 472 . 1 1 52 52 ILE CG2 C 13 17.532 0.086 . 1 . . . . . 181 ILE CG2 . 27785 1 473 . 1 1 52 52 ILE CD1 C 13 13.724 0.055 . 1 . . . . . 181 ILE CD1 . 27785 1 474 . 1 1 52 52 ILE N N 15 120.115 0.046 . 1 . . . . . 181 ILE N . 27785 1 475 . 1 1 53 53 GLU H H 1 8.291 0.005 . 1 . . . . . 182 GLU H . 27785 1 476 . 1 1 53 53 GLU HA H 1 4.148 0.017 . 1 . . . . . 182 GLU HA . 27785 1 477 . 1 1 53 53 GLU HB2 H 1 2.080 0.001 . 2 . . . . . 182 GLU HB2 . 27785 1 478 . 1 1 53 53 GLU HB3 H 1 2.061 0.001 . 2 . . . . . 182 GLU HB3 . 27785 1 479 . 1 1 53 53 GLU HG2 H 1 2.247 0.003 . 2 . . . . . 182 GLU HG2 . 27785 1 480 . 1 1 53 53 GLU HG3 H 1 2.432 0.001 . 2 . . . . . 182 GLU HG3 . 27785 1 481 . 1 1 53 53 GLU C C 13 177.514 0.010 . 1 . . . . . 182 GLU C . 27785 1 482 . 1 1 53 53 GLU CA C 13 58.403 0.040 . 1 . . . . . 182 GLU CA . 27785 1 483 . 1 1 53 53 GLU CB C 13 30.034 0.042 . 1 . . . . . 182 GLU CB . 27785 1 484 . 1 1 53 53 GLU CG C 13 36.775 0.000 . 1 . . . . . 182 GLU CG . 27785 1 485 . 1 1 53 53 GLU N N 15 116.118 0.107 . 1 . . . . . 182 GLU N . 27785 1 486 . 1 1 54 54 SER H H 1 7.547 0.011 . 1 . . . . . 183 SER H . 27785 1 487 . 1 1 54 54 SER HA H 1 4.581 0.002 . 1 . . . . . 183 SER HA . 27785 1 488 . 1 1 54 54 SER HB2 H 1 3.914 0.003 . 1 . . . . . 183 SER HB2 . 27785 1 489 . 1 1 54 54 SER HB3 H 1 3.914 0.003 . 1 . . . . . 183 SER HB3 . 27785 1 490 . 1 1 54 54 SER C C 13 173.584 0.019 . 1 . . . . . 183 SER C . 27785 1 491 . 1 1 54 54 SER CA C 13 58.911 0.074 . 1 . . . . . 183 SER CA . 27785 1 492 . 1 1 54 54 SER CB C 13 64.537 0.016 . 1 . . . . . 183 SER CB . 27785 1 493 . 1 1 54 54 SER N N 15 110.522 0.024 . 1 . . . . . 183 SER N . 27785 1 494 . 1 1 55 55 THR H H 1 7.414 0.012 . 1 . . . . . 184 THR H . 27785 1 495 . 1 1 55 55 THR HA H 1 4.726 0.020 . 1 . . . . . 184 THR HA . 27785 1 496 . 1 1 55 55 THR HB H 1 4.206 0.010 . 1 . . . . . 184 THR HB . 27785 1 497 . 1 1 55 55 THR HG21 H 1 1.076 0.011 . 1 . . . . . 184 THR HG21 . 27785 1 498 . 1 1 55 55 THR HG22 H 1 1.076 0.011 . 1 . . . . . 184 THR HG22 . 27785 1 499 . 1 1 55 55 THR HG23 H 1 1.076 0.011 . 1 . . . . . 184 THR HG23 . 27785 1 500 . 1 1 55 55 THR C C 13 173.948 0.000 . 1 . . . . . 184 THR C . 27785 1 501 . 1 1 55 55 THR CA C 13 60.540 0.047 . 1 . . . . . 184 THR CA . 27785 1 502 . 1 1 55 55 THR CB C 13 72.563 0.040 . 1 . . . . . 184 THR CB . 27785 1 503 . 1 1 55 55 THR CG2 C 13 21.713 0.092 . 1 . . . . . 184 THR CG2 . 27785 1 504 . 1 1 55 55 THR N N 15 111.205 0.046 . 1 . . . . . 184 THR N . 27785 1 505 . 1 1 56 56 SER HA H 1 4.639 0.003 . 1 . . . . . 185 SER HA . 27785 1 506 . 1 1 56 56 SER HB2 H 1 3.920 0.000 . 1 . . . . . 185 SER HB2 . 27785 1 507 . 1 1 56 56 SER HB3 H 1 3.920 0.000 . 1 . . . . . 185 SER HB3 . 27785 1 508 . 1 1 56 56 SER C C 13 175.099 0.000 . 1 . . . . . 185 SER C . 27785 1 509 . 1 1 56 56 SER CA C 13 59.506 0.116 . 1 . . . . . 185 SER CA . 27785 1 510 . 1 1 56 56 SER CB C 13 64.831 0.051 . 1 . . . . . 185 SER CB . 27785 1 511 . 1 1 57 57 THR H H 1 7.624 0.010 . 1 . . . . . 186 THR H . 27785 1 512 . 1 1 57 57 THR HA H 1 4.828 0.011 . 1 . . . . . 186 THR HA . 27785 1 513 . 1 1 57 57 THR HB H 1 4.630 0.011 . 1 . . . . . 186 THR HB . 27785 1 514 . 1 1 57 57 THR HG21 H 1 1.237 0.014 . 1 . . . . . 186 THR HG21 . 27785 1 515 . 1 1 57 57 THR HG22 H 1 1.237 0.014 . 1 . . . . . 186 THR HG22 . 27785 1 516 . 1 1 57 57 THR HG23 H 1 1.237 0.014 . 1 . . . . . 186 THR HG23 . 27785 1 517 . 1 1 57 57 THR C C 13 175.153 0.000 . 1 . . . . . 186 THR C . 27785 1 518 . 1 1 57 57 THR CA C 13 59.088 0.101 . 1 . . . . . 186 THR CA . 27785 1 519 . 1 1 57 57 THR CB C 13 73.060 0.137 . 1 . . . . . 186 THR CB . 27785 1 520 . 1 1 57 57 THR CG2 C 13 21.891 0.099 . 1 . . . . . 186 THR CG2 . 27785 1 521 . 1 1 57 57 THR N N 15 108.774 0.039 . 1 . . . . . 186 THR N . 27785 1 522 . 1 1 58 58 MET HA H 1 4.361 0.007 . 1 . . . . . 187 MET HA . 27785 1 523 . 1 1 58 58 MET HB2 H 1 2.260 0.006 . 2 . . . . . 187 MET HB2 . 27785 1 524 . 1 1 58 58 MET HB3 H 1 2.027 0.003 . 2 . . . . . 187 MET HB3 . 27785 1 525 . 1 1 58 58 MET HG2 H 1 2.475 0.005 . 2 . . . . . 187 MET HG2 . 27785 1 526 . 1 1 58 58 MET HG3 H 1 2.774 0.004 . 2 . . . . . 187 MET HG3 . 27785 1 527 . 1 1 58 58 MET HE1 H 1 2.151 0.003 . 1 . . . . . 187 MET HE1 . 27785 1 528 . 1 1 58 58 MET HE2 H 1 2.151 0.003 . 1 . . . . . 187 MET HE2 . 27785 1 529 . 1 1 58 58 MET HE3 H 1 2.151 0.003 . 1 . . . . . 187 MET HE3 . 27785 1 530 . 1 1 58 58 MET C C 13 177.666 0.000 . 1 . . . . . 187 MET C . 27785 1 531 . 1 1 58 58 MET CA C 13 57.881 0.070 . 1 . . . . . 187 MET CA . 27785 1 532 . 1 1 58 58 MET CB C 13 33.059 0.073 . 1 . . . . . 187 MET CB . 27785 1 533 . 1 1 58 58 MET CG C 13 32.446 0.472 . 1 . . . . . 187 MET CG . 27785 1 534 . 1 1 58 58 MET CE C 13 18.037 0.060 . 1 . . . . . 187 MET CE . 27785 1 535 . 1 1 59 59 ASP H H 1 8.643 0.012 . 1 . . . . . 188 ASP H . 27785 1 536 . 1 1 59 59 ASP HA H 1 4.356 0.014 . 1 . . . . . 188 ASP HA . 27785 1 537 . 1 1 59 59 ASP HB2 H 1 2.541 0.026 . 2 . . . . . 188 ASP HB2 . 27785 1 538 . 1 1 59 59 ASP HB3 H 1 2.596 0.010 . 2 . . . . . 188 ASP HB3 . 27785 1 539 . 1 1 59 59 ASP C C 13 179.431 0.014 . 1 . . . . . 188 ASP C . 27785 1 540 . 1 1 59 59 ASP CA C 13 57.560 0.077 . 1 . . . . . 188 ASP CA . 27785 1 541 . 1 1 59 59 ASP CB C 13 40.243 0.078 . 1 . . . . . 188 ASP CB . 27785 1 542 . 1 1 59 59 ASP N N 15 117.273 0.057 . 1 . . . . . 188 ASP N . 27785 1 543 . 1 1 60 60 GLY H H 1 8.406 0.006 . 1 . . . . . 189 GLY H . 27785 1 544 . 1 1 60 60 GLY HA2 H 1 3.862 0.021 . 2 . . . . . 189 GLY HA2 . 27785 1 545 . 1 1 60 60 GLY HA3 H 1 4.004 0.000 . 2 . . . . . 189 GLY HA3 . 27785 1 546 . 1 1 60 60 GLY C C 13 176.416 0.022 . 1 . . . . . 189 GLY C . 27785 1 547 . 1 1 60 60 GLY CA C 13 46.657 0.116 . 1 . . . . . 189 GLY CA . 27785 1 548 . 1 1 60 60 GLY N N 15 108.836 0.032 . 1 . . . . . 189 GLY N . 27785 1 549 . 1 1 61 61 ALA H H 1 8.160 0.006 . 1 . . . . . 190 ALA H . 27785 1 550 . 1 1 61 61 ALA HA H 1 3.991 0.014 . 1 . . . . . 190 ALA HA . 27785 1 551 . 1 1 61 61 ALA HB1 H 1 1.495 0.015 . 1 . . . . . 190 ALA HB1 . 27785 1 552 . 1 1 61 61 ALA HB2 H 1 1.495 0.015 . 1 . . . . . 190 ALA HB2 . 27785 1 553 . 1 1 61 61 ALA HB3 H 1 1.495 0.015 . 1 . . . . . 190 ALA HB3 . 27785 1 554 . 1 1 61 61 ALA C C 13 178.857 0.016 . 1 . . . . . 190 ALA C . 27785 1 555 . 1 1 61 61 ALA CA C 13 56.188 0.137 . 1 . . . . . 190 ALA CA . 27785 1 556 . 1 1 61 61 ALA CB C 13 17.703 0.167 . 1 . . . . . 190 ALA CB . 27785 1 557 . 1 1 61 61 ALA N N 15 127.599 0.033 . 1 . . . . . 190 ALA N . 27785 1 558 . 1 1 62 62 ILE H H 1 8.337 0.013 . 1 . . . . . 191 ILE H . 27785 1 559 . 1 1 62 62 ILE HA H 1 3.541 0.019 . 1 . . . . . 191 ILE HA . 27785 1 560 . 1 1 62 62 ILE HB H 1 1.885 0.022 . 1 . . . . . 191 ILE HB . 27785 1 561 . 1 1 62 62 ILE HG12 H 1 0.859 0.003 . 2 . . . . . 191 ILE HG12 . 27785 1 562 . 1 1 62 62 ILE HG13 H 1 1.917 0.010 . 2 . . . . . 191 ILE HG13 . 27785 1 563 . 1 1 62 62 ILE HG21 H 1 0.983 0.009 . 1 . . . . . 191 ILE HG21 . 27785 1 564 . 1 1 62 62 ILE HG22 H 1 0.983 0.009 . 1 . . . . . 191 ILE HG22 . 27785 1 565 . 1 1 62 62 ILE HG23 H 1 0.983 0.009 . 1 . . . . . 191 ILE HG23 . 27785 1 566 . 1 1 62 62 ILE HD11 H 1 0.866 0.015 . 1 . . . . . 191 ILE HD11 . 27785 1 567 . 1 1 62 62 ILE HD12 H 1 0.866 0.015 . 1 . . . . . 191 ILE HD12 . 27785 1 568 . 1 1 62 62 ILE HD13 H 1 0.866 0.015 . 1 . . . . . 191 ILE HD13 . 27785 1 569 . 1 1 62 62 ILE C C 13 177.425 0.005 . 1 . . . . . 191 ILE C . 27785 1 570 . 1 1 62 62 ILE CA C 13 66.227 0.051 . 1 . . . . . 191 ILE CA . 27785 1 571 . 1 1 62 62 ILE CB C 13 38.654 0.062 . 1 . . . . . 191 ILE CB . 27785 1 572 . 1 1 62 62 ILE CG1 C 13 30.492 0.128 . 1 . . . . . 191 ILE CG1 . 27785 1 573 . 1 1 62 62 ILE CG2 C 13 17.119 0.029 . 1 . . . . . 191 ILE CG2 . 27785 1 574 . 1 1 62 62 ILE CD1 C 13 13.873 0.063 . 1 . . . . . 191 ILE CD1 . 27785 1 575 . 1 1 62 62 ILE N N 15 117.407 0.051 . 1 . . . . . 191 ILE N . 27785 1 576 . 1 1 63 63 ALA H H 1 8.025 0.011 . 1 . . . . . 192 ALA H . 27785 1 577 . 1 1 63 63 ALA HA H 1 4.065 0.016 . 1 . . . . . 192 ALA HA . 27785 1 578 . 1 1 63 63 ALA HB1 H 1 1.473 0.016 . 1 . . . . . 192 ALA HB1 . 27785 1 579 . 1 1 63 63 ALA HB2 H 1 1.473 0.016 . 1 . . . . . 192 ALA HB2 . 27785 1 580 . 1 1 63 63 ALA HB3 H 1 1.473 0.016 . 1 . . . . . 192 ALA HB3 . 27785 1 581 . 1 1 63 63 ALA C C 13 180.696 0.003 . 1 . . . . . 192 ALA C . 27785 1 582 . 1 1 63 63 ALA CA C 13 55.292 0.102 . 1 . . . . . 192 ALA CA . 27785 1 583 . 1 1 63 63 ALA CB C 13 18.126 0.107 . 1 . . . . . 192 ALA CB . 27785 1 584 . 1 1 63 63 ALA N N 15 119.821 0.061 . 1 . . . . . 192 ALA N . 27785 1 585 . 1 1 64 64 ALA H H 1 8.069 0.009 . 1 . . . . . 193 ALA H . 27785 1 586 . 1 1 64 64 ALA HA H 1 4.022 0.021 . 1 . . . . . 193 ALA HA . 27785 1 587 . 1 1 64 64 ALA HB1 H 1 1.378 0.014 . 1 . . . . . 193 ALA HB1 . 27785 1 588 . 1 1 64 64 ALA HB2 H 1 1.378 0.014 . 1 . . . . . 193 ALA HB2 . 27785 1 589 . 1 1 64 64 ALA HB3 H 1 1.378 0.014 . 1 . . . . . 193 ALA HB3 . 27785 1 590 . 1 1 64 64 ALA C C 13 179.804 0.020 . 1 . . . . . 193 ALA C . 27785 1 591 . 1 1 64 64 ALA CA C 13 54.713 0.086 . 1 . . . . . 193 ALA CA . 27785 1 592 . 1 1 64 64 ALA CB C 13 18.680 0.243 . 1 . . . . . 193 ALA CB . 27785 1 593 . 1 1 64 64 ALA N N 15 119.224 0.037 . 1 . . . . . 193 ALA N . 27785 1 594 . 1 1 65 65 ALA H H 1 8.325 0.007 . 1 . . . . . 194 ALA H . 27785 1 595 . 1 1 65 65 ALA HA H 1 3.355 0.017 . 1 . . . . . 194 ALA HA . 27785 1 596 . 1 1 65 65 ALA HB1 H 1 0.977 0.013 . 1 . . . . . 194 ALA HB1 . 27785 1 597 . 1 1 65 65 ALA HB2 H 1 0.977 0.013 . 1 . . . . . 194 ALA HB2 . 27785 1 598 . 1 1 65 65 ALA HB3 H 1 0.977 0.013 . 1 . . . . . 194 ALA HB3 . 27785 1 599 . 1 1 65 65 ALA C C 13 178.780 0.018 . 1 . . . . . 194 ALA C . 27785 1 600 . 1 1 65 65 ALA CA C 13 54.856 0.110 . 1 . . . . . 194 ALA CA . 27785 1 601 . 1 1 65 65 ALA CB C 13 18.521 0.066 . 1 . . . . . 194 ALA CB . 27785 1 602 . 1 1 65 65 ALA N N 15 122.655 0.033 . 1 . . . . . 194 ALA N . 27785 1 603 . 1 1 66 66 LEU H H 1 8.386 0.009 . 1 . . . . . 195 LEU H . 27785 1 604 . 1 1 66 66 LEU HA H 1 4.099 0.019 . 1 . . . . . 195 LEU HA . 27785 1 605 . 1 1 66 66 LEU HB2 H 1 1.898 0.003 . 2 . . . . . 195 LEU HB2 . 27785 1 606 . 1 1 66 66 LEU HB3 H 1 1.535 0.006 . 2 . . . . . 195 LEU HB3 . 27785 1 607 . 1 1 66 66 LEU HG H 1 1.953 0.005 . 1 . . . . . 195 LEU HG . 27785 1 608 . 1 1 66 66 LEU HD11 H 1 1.038 0.003 . 2 . . . . . 195 LEU HD11 . 27785 1 609 . 1 1 66 66 LEU HD12 H 1 1.038 0.003 . 2 . . . . . 195 LEU HD12 . 27785 1 610 . 1 1 66 66 LEU HD13 H 1 1.038 0.003 . 2 . . . . . 195 LEU HD13 . 27785 1 611 . 1 1 66 66 LEU HD21 H 1 0.959 0.004 . 2 . . . . . 195 LEU HD21 . 27785 1 612 . 1 1 66 66 LEU HD22 H 1 0.959 0.004 . 2 . . . . . 195 LEU HD22 . 27785 1 613 . 1 1 66 66 LEU HD23 H 1 0.959 0.004 . 2 . . . . . 195 LEU HD23 . 27785 1 614 . 1 1 66 66 LEU C C 13 180.248 0.024 . 1 . . . . . 195 LEU C . 27785 1 615 . 1 1 66 66 LEU CA C 13 57.929 0.105 . 1 . . . . . 195 LEU CA . 27785 1 616 . 1 1 66 66 LEU CB C 13 42.047 0.051 . 1 . . . . . 195 LEU CB . 27785 1 617 . 1 1 66 66 LEU CG C 13 27.619 0.000 . 1 . . . . . 195 LEU CG . 27785 1 618 . 1 1 66 66 LEU CD1 C 13 25.624 0.079 . 2 . . . . . 195 LEU CD1 . 27785 1 619 . 1 1 66 66 LEU CD2 C 13 23.417 0.047 . 2 . . . . . 195 LEU CD2 . 27785 1 620 . 1 1 66 66 LEU N N 15 118.048 0.032 . 1 . . . . . 195 LEU N . 27785 1 621 . 1 1 67 67 LEU H H 1 7.348 0.010 . 1 . . . . . 196 LEU H . 27785 1 622 . 1 1 67 67 LEU HA H 1 4.090 0.020 . 1 . . . . . 196 LEU HA . 27785 1 623 . 1 1 67 67 LEU HB2 H 1 1.665 0.000 . 2 . . . . . 196 LEU HB2 . 27785 1 624 . 1 1 67 67 LEU HB3 H 1 1.543 0.006 . 2 . . . . . 196 LEU HB3 . 27785 1 625 . 1 1 67 67 LEU HG H 1 1.612 0.000 . 1 . . . . . 196 LEU HG . 27785 1 626 . 1 1 67 67 LEU HD11 H 1 0.832 0.005 . 2 . . . . . 196 LEU HD11 . 27785 1 627 . 1 1 67 67 LEU HD12 H 1 0.832 0.005 . 2 . . . . . 196 LEU HD12 . 27785 1 628 . 1 1 67 67 LEU HD13 H 1 0.832 0.005 . 2 . . . . . 196 LEU HD13 . 27785 1 629 . 1 1 67 67 LEU HD21 H 1 0.820 0.008 . 2 . . . . . 196 LEU HD21 . 27785 1 630 . 1 1 67 67 LEU HD22 H 1 0.820 0.008 . 2 . . . . . 196 LEU HD22 . 27785 1 631 . 1 1 67 67 LEU HD23 H 1 0.820 0.008 . 2 . . . . . 196 LEU HD23 . 27785 1 632 . 1 1 67 67 LEU C C 13 178.595 0.020 . 1 . . . . . 196 LEU C . 27785 1 633 . 1 1 67 67 LEU CA C 13 57.305 0.066 . 1 . . . . . 196 LEU CA . 27785 1 634 . 1 1 67 67 LEU CB C 13 42.351 0.110 . 1 . . . . . 196 LEU CB . 27785 1 635 . 1 1 67 67 LEU CG C 13 27.033 0.000 . 1 . . . . . 196 LEU CG . 27785 1 636 . 1 1 67 67 LEU CD1 C 13 24.511 0.000 . 2 . . . . . 196 LEU CD1 . 27785 1 637 . 1 1 67 67 LEU CD2 C 13 24.030 0.000 . 2 . . . . . 196 LEU CD2 . 27785 1 638 . 1 1 67 67 LEU N N 15 117.715 0.022 . 1 . . . . . 196 LEU N . 27785 1 639 . 1 1 68 68 MET H H 1 7.766 0.012 . 1 . . . . . 197 MET H . 27785 1 640 . 1 1 68 68 MET HA H 1 3.994 0.014 . 1 . . . . . 197 MET HA . 27785 1 641 . 1 1 68 68 MET HB2 H 1 1.403 0.013 . 2 . . . . . 197 MET HB2 . 27785 1 642 . 1 1 68 68 MET HB3 H 1 1.154 0.011 . 2 . . . . . 197 MET HB3 . 27785 1 643 . 1 1 68 68 MET HG2 H 1 1.896 0.010 . 2 . . . . . 197 MET HG2 . 27785 1 644 . 1 1 68 68 MET HG3 H 1 2.068 0.005 . 2 . . . . . 197 MET HG3 . 27785 1 645 . 1 1 68 68 MET HE1 H 1 1.855 0.008 . 1 . . . . . 197 MET HE1 . 27785 1 646 . 1 1 68 68 MET HE2 H 1 1.855 0.008 . 1 . . . . . 197 MET HE2 . 27785 1 647 . 1 1 68 68 MET HE3 H 1 1.855 0.008 . 1 . . . . . 197 MET HE3 . 27785 1 648 . 1 1 68 68 MET C C 13 177.722 0.013 . 1 . . . . . 197 MET C . 27785 1 649 . 1 1 68 68 MET CA C 13 57.797 0.127 . 1 . . . . . 197 MET CA . 27785 1 650 . 1 1 68 68 MET CB C 13 32.718 0.703 . 1 . . . . . 197 MET CB . 27785 1 651 . 1 1 68 68 MET CG C 13 31.633 0.085 . 1 . . . . . 197 MET CG . 27785 1 652 . 1 1 68 68 MET CE C 13 17.012 0.083 . 1 . . . . . 197 MET CE . 27785 1 653 . 1 1 68 68 MET N N 15 116.746 0.044 . 1 . . . . . 197 MET N . 27785 1 654 . 1 1 69 69 PHE H H 1 8.445 0.009 . 1 . . . . . 198 PHE H . 27785 1 655 . 1 1 69 69 PHE HA H 1 4.945 0.018 . 1 . . . . . 198 PHE HA . 27785 1 656 . 1 1 69 69 PHE HB2 H 1 3.310 0.024 . 2 . . . . . 198 PHE HB2 . 27785 1 657 . 1 1 69 69 PHE HB3 H 1 2.768 0.020 . 2 . . . . . 198 PHE HB3 . 27785 1 658 . 1 1 69 69 PHE HD1 H 1 6.753 0.005 . 3 . . . . . 198 PHE HD1 . 27785 1 659 . 1 1 69 69 PHE HD2 H 1 6.753 0.005 . 3 . . . . . 198 PHE HD2 . 27785 1 660 . 1 1 69 69 PHE HE1 H 1 6.994 0.003 . 3 . . . . . 198 PHE HE1 . 27785 1 661 . 1 1 69 69 PHE HE2 H 1 6.994 0.003 . 3 . . . . . 198 PHE HE2 . 27785 1 662 . 1 1 69 69 PHE C C 13 177.084 0.024 . 1 . . . . . 198 PHE C . 27785 1 663 . 1 1 69 69 PHE CA C 13 55.872 0.060 . 1 . . . . . 198 PHE CA . 27785 1 664 . 1 1 69 69 PHE CB C 13 39.400 0.122 . 1 . . . . . 198 PHE CB . 27785 1 665 . 1 1 69 69 PHE CD1 C 13 130.919 0.011 . 3 . . . . . 198 PHE CD1 . 27785 1 666 . 1 1 69 69 PHE CD2 C 13 130.919 0.011 . 3 . . . . . 198 PHE CD2 . 27785 1 667 . 1 1 69 69 PHE CE1 C 13 130.759 0.032 . 3 . . . . . 198 PHE CE1 . 27785 1 668 . 1 1 69 69 PHE CE2 C 13 130.759 0.032 . 3 . . . . . 198 PHE CE2 . 27785 1 669 . 1 1 69 69 PHE N N 15 115.057 0.045 . 1 . . . . . 198 PHE N . 27785 1 670 . 1 1 70 70 GLY H H 1 7.764 0.009 . 1 . . . . . 199 GLY H . 27785 1 671 . 1 1 70 70 GLY HA2 H 1 4.154 0.000 . 2 . . . . . 199 GLY HA2 . 27785 1 672 . 1 1 70 70 GLY HA3 H 1 4.109 0.004 . 2 . . . . . 199 GLY HA3 . 27785 1 673 . 1 1 70 70 GLY C C 13 173.147 0.017 . 1 . . . . . 199 GLY C . 27785 1 674 . 1 1 70 70 GLY CA C 13 45.606 0.071 . 1 . . . . . 199 GLY CA . 27785 1 675 . 1 1 70 70 GLY N N 15 108.456 0.022 . 1 . . . . . 199 GLY N . 27785 1 676 . 1 1 71 71 ASP H H 1 8.237 0.005 . 1 . . . . . 200 ASP H . 27785 1 677 . 1 1 71 71 ASP HA H 1 4.631 0.000 . 1 . . . . . 200 ASP HA . 27785 1 678 . 1 1 71 71 ASP HB2 H 1 2.661 0.000 . 1 . . . . . 200 ASP HB2 . 27785 1 679 . 1 1 71 71 ASP HB3 H 1 2.661 0.000 . 1 . . . . . 200 ASP HB3 . 27785 1 680 . 1 1 71 71 ASP C C 13 176.544 0.014 . 1 . . . . . 200 ASP C . 27785 1 681 . 1 1 71 71 ASP CA C 13 54.229 0.001 . 1 . . . . . 200 ASP CA . 27785 1 682 . 1 1 71 71 ASP CB C 13 41.924 0.000 . 1 . . . . . 200 ASP CB . 27785 1 683 . 1 1 71 71 ASP N N 15 118.394 0.068 . 1 . . . . . 200 ASP N . 27785 1 684 . 1 1 72 72 ALA H H 1 8.440 0.006 . 1 . . . . . 201 ALA H . 27785 1 685 . 1 1 72 72 ALA HA H 1 4.289 0.007 . 1 . . . . . 201 ALA HA . 27785 1 686 . 1 1 72 72 ALA HB1 H 1 1.383 0.003 . 1 . . . . . 201 ALA HB1 . 27785 1 687 . 1 1 72 72 ALA HB2 H 1 1.383 0.003 . 1 . . . . . 201 ALA HB2 . 27785 1 688 . 1 1 72 72 ALA HB3 H 1 1.383 0.003 . 1 . . . . . 201 ALA HB3 . 27785 1 689 . 1 1 72 72 ALA C C 13 178.503 0.019 . 1 . . . . . 201 ALA C . 27785 1 690 . 1 1 72 72 ALA CA C 13 52.905 0.105 . 1 . . . . . 201 ALA CA . 27785 1 691 . 1 1 72 72 ALA CB C 13 19.311 0.131 . 1 . . . . . 201 ALA CB . 27785 1 692 . 1 1 72 72 ALA N N 15 124.245 0.034 . 1 . . . . . 201 ALA N . 27785 1 693 . 1 1 73 73 GLY H H 1 8.533 0.005 . 1 . . . . . 202 GLY H . 27785 1 694 . 1 1 73 73 GLY HA2 H 1 3.972 0.000 . 1 . . . . . 202 GLY HA2 . 27785 1 695 . 1 1 73 73 GLY HA3 H 1 3.972 0.000 . 1 . . . . . 202 GLY HA3 . 27785 1 696 . 1 1 73 73 GLY C C 13 174.830 0.015 . 1 . . . . . 202 GLY C . 27785 1 697 . 1 1 73 73 GLY CA C 13 45.595 0.165 . 1 . . . . . 202 GLY CA . 27785 1 698 . 1 1 73 73 GLY N N 15 107.349 0.027 . 1 . . . . . 202 GLY N . 27785 1 699 . 1 1 74 74 GLY H H 1 8.245 0.013 . 1 . . . . . 203 GLY H . 27785 1 700 . 1 1 74 74 GLY HA2 H 1 4.030 0.000 . 1 . . . . . 203 GLY HA2 . 27785 1 701 . 1 1 74 74 GLY HA3 H 1 4.030 0.000 . 1 . . . . . 203 GLY HA3 . 27785 1 702 . 1 1 74 74 GLY C C 13 174.402 0.018 . 1 . . . . . 203 GLY C . 27785 1 703 . 1 1 74 74 GLY CA C 13 45.403 0.054 . 1 . . . . . 203 GLY CA . 27785 1 704 . 1 1 74 74 GLY N N 15 107.911 0.030 . 1 . . . . . 203 GLY N . 27785 1 705 . 1 1 75 75 GLY H H 1 8.221 0.020 . 1 . . . . . 204 GLY H . 27785 1 706 . 1 1 75 75 GLY HA2 H 1 4.097 0.000 . 1 . . . . . 204 GLY HA2 . 27785 1 707 . 1 1 75 75 GLY HA3 H 1 4.097 0.000 . 1 . . . . . 204 GLY HA3 . 27785 1 708 . 1 1 75 75 GLY C C 13 171.829 0.000 . 1 . . . . . 204 GLY C . 27785 1 709 . 1 1 75 75 GLY CA C 13 44.970 0.000 . 1 . . . . . 204 GLY CA . 27785 1 710 . 1 1 75 75 GLY N N 15 108.302 0.040 . 1 . . . . . 204 GLY N . 27785 1 711 . 1 1 85 85 SER C C 13 175.494 0.023 . 1 . . . . . 214 SER C . 27785 1 712 . 1 1 85 85 SER CA C 13 58.594 0.019 . 1 . . . . . 214 SER CA . 27785 1 713 . 1 1 85 85 SER CB C 13 63.918 0.067 . 1 . . . . . 214 SER CB . 27785 1 714 . 1 1 86 86 GLU H H 1 8.201 0.006 . 1 . . . . . 215 GLU H . 27785 1 715 . 1 1 86 86 GLU HA H 1 4.582 0.017 . 1 . . . . . 215 GLU HA . 27785 1 716 . 1 1 86 86 GLU HB2 H 1 2.010 0.000 . 2 . . . . . 215 GLU HB2 . 27785 1 717 . 1 1 86 86 GLU HB3 H 1 1.833 0.000 . 2 . . . . . 215 GLU HB3 . 27785 1 718 . 1 1 86 86 GLU HG2 H 1 2.260 0.016 . 1 . . . . . 215 GLU HG2 . 27785 1 719 . 1 1 86 86 GLU HG3 H 1 2.260 0.016 . 1 . . . . . 215 GLU HG3 . 27785 1 720 . 1 1 86 86 GLU C C 13 175.860 0.000 . 1 . . . . . 215 GLU C . 27785 1 721 . 1 1 86 86 GLU CA C 13 54.482 0.019 . 1 . . . . . 215 GLU CA . 27785 1 722 . 1 1 86 86 GLU CB C 13 29.865 0.000 . 1 . . . . . 215 GLU CB . 27785 1 723 . 1 1 86 86 GLU CG C 13 35.899 0.000 . 1 . . . . . 215 GLU CG . 27785 1 724 . 1 1 86 86 GLU N N 15 122.636 0.058 . 1 . . . . . 215 GLU N . 27785 1 725 . 1 1 87 87 PRO HA H 1 4.558 0.000 . 1 . . . . . 216 PRO HA . 27785 1 726 . 1 1 87 87 PRO HB2 H 1 2.238 0.000 . 2 . . . . . 216 PRO HB2 . 27785 1 727 . 1 1 87 87 PRO HB3 H 1 2.048 0.000 . 2 . . . . . 216 PRO HB3 . 27785 1 728 . 1 1 87 87 PRO C C 13 175.726 0.000 . 1 . . . . . 216 PRO C . 27785 1 729 . 1 1 87 87 PRO CA C 13 62.535 0.028 . 1 . . . . . 216 PRO CA . 27785 1 730 . 1 1 87 87 PRO CB C 13 34.393 0.027 . 1 . . . . . 216 PRO CB . 27785 1 731 . 1 1 87 87 PRO CG C 13 24.705 0.000 . 1 . . . . . 216 PRO CG . 27785 1 732 . 1 1 88 88 TYR H H 1 8.517 0.004 . 1 . . . . . 217 TYR H . 27785 1 733 . 1 1 88 88 TYR HA H 1 4.576 0.030 . 1 . . . . . 217 TYR HA . 27785 1 734 . 1 1 88 88 TYR HB2 H 1 3.041 0.029 . 2 . . . . . 217 TYR HB2 . 27785 1 735 . 1 1 88 88 TYR HB3 H 1 2.977 0.015 . 2 . . . . . 217 TYR HB3 . 27785 1 736 . 1 1 88 88 TYR HD1 H 1 7.105 0.004 . 3 . . . . . 217 TYR HD1 . 27785 1 737 . 1 1 88 88 TYR HD2 H 1 7.105 0.004 . 3 . . . . . 217 TYR HD2 . 27785 1 738 . 1 1 88 88 TYR HE1 H 1 6.820 0.005 . 3 . . . . . 217 TYR HE1 . 27785 1 739 . 1 1 88 88 TYR HE2 H 1 6.820 0.005 . 3 . . . . . 217 TYR HE2 . 27785 1 740 . 1 1 88 88 TYR C C 13 175.768 0.000 . 1 . . . . . 217 TYR C . 27785 1 741 . 1 1 88 88 TYR CA C 13 58.075 0.049 . 1 . . . . . 217 TYR CA . 27785 1 742 . 1 1 88 88 TYR CB C 13 38.630 0.023 . 1 . . . . . 217 TYR CB . 27785 1 743 . 1 1 88 88 TYR CD1 C 13 133.207 0.005 . 3 . . . . . 217 TYR CD1 . 27785 1 744 . 1 1 88 88 TYR CD2 C 13 133.207 0.005 . 3 . . . . . 217 TYR CD2 . 27785 1 745 . 1 1 88 88 TYR CE1 C 13 118.248 0.000 . 3 . . . . . 217 TYR CE1 . 27785 1 746 . 1 1 88 88 TYR CE2 C 13 118.248 0.000 . 3 . . . . . 217 TYR CE2 . 27785 1 747 . 1 1 88 88 TYR N N 15 121.977 0.036 . 1 . . . . . 217 TYR N . 27785 1 748 . 1 1 89 89 GLU H H 1 8.386 0.003 . 1 . . . . . 218 GLU H . 27785 1 749 . 1 1 89 89 GLU HA H 1 4.257 0.003 . 1 . . . . . 218 GLU HA . 27785 1 750 . 1 1 89 89 GLU HB2 H 1 1.974 0.000 . 2 . . . . . 218 GLU HB2 . 27785 1 751 . 1 1 89 89 GLU HB3 H 1 1.826 0.001 . 2 . . . . . 218 GLU HB3 . 27785 1 752 . 1 1 89 89 GLU HG2 H 1 2.156 0.000 . 1 . . . . . 218 GLU HG2 . 27785 1 753 . 1 1 89 89 GLU HG3 H 1 2.156 0.000 . 1 . . . . . 218 GLU HG3 . 27785 1 754 . 1 1 89 89 GLU CA C 13 56.059 0.078 . 1 . . . . . 218 GLU CA . 27785 1 755 . 1 1 89 89 GLU CB C 13 31.026 0.024 . 1 . . . . . 218 GLU CB . 27785 1 756 . 1 1 89 89 GLU CG C 13 36.303 0.000 . 1 . . . . . 218 GLU CG . 27785 1 757 . 1 1 89 89 GLU N N 15 122.653 0.037 . 1 . . . . . 218 GLU N . 27785 1 758 . 1 1 90 90 GLU H H 1 8.321 0.003 . 1 . . . . . 219 GLU H . 27785 1 759 . 1 1 90 90 GLU CA C 13 57.556 0.000 . 1 . . . . . 219 GLU CA . 27785 1 760 . 1 1 90 90 GLU CB C 13 33.190 0.000 . 1 . . . . . 219 GLU CB . 27785 1 761 . 1 1 90 90 GLU N N 15 121.974 0.026 . 1 . . . . . 219 GLU N . 27785 1 762 . 1 1 92 92 GLU HA H 1 4.137 0.007 . 1 . . . . . 221 GLU HA . 27785 1 763 . 1 1 92 92 GLU HB2 H 1 1.812 0.008 . 2 . . . . . 221 GLU HB2 . 27785 1 764 . 1 1 92 92 GLU HB3 H 1 1.810 0.006 . 2 . . . . . 221 GLU HB3 . 27785 1 765 . 1 1 92 92 GLU HG2 H 1 2.048 0.000 . 2 . . . . . 221 GLU HG2 . 27785 1 766 . 1 1 92 92 GLU HG3 H 1 1.959 0.004 . 2 . . . . . 221 GLU HG3 . 27785 1 767 . 1 1 92 92 GLU CA C 13 56.933 0.020 . 1 . . . . . 221 GLU CA . 27785 1 768 . 1 1 92 92 GLU CB C 13 30.509 0.129 . 1 . . . . . 221 GLU CB . 27785 1 769 . 1 1 92 92 GLU CG C 13 36.003 0.000 . 1 . . . . . 221 GLU CG . 27785 1 770 . 1 1 93 93 PHE H H 1 8.290 0.003 . 1 . . . . . 222 PHE H . 27785 1 771 . 1 1 93 93 PHE HA H 1 4.617 0.003 . 1 . . . . . 222 PHE HA . 27785 1 772 . 1 1 93 93 PHE HB2 H 1 3.149 0.010 . 2 . . . . . 222 PHE HB2 . 27785 1 773 . 1 1 93 93 PHE HB3 H 1 3.010 0.000 . 2 . . . . . 222 PHE HB3 . 27785 1 774 . 1 1 93 93 PHE C C 13 175.459 0.000 . 1 . . . . . 222 PHE C . 27785 1 775 . 1 1 93 93 PHE CA C 13 57.913 0.049 . 1 . . . . . 222 PHE CA . 27785 1 776 . 1 1 93 93 PHE CB C 13 39.591 0.046 . 1 . . . . . 222 PHE CB . 27785 1 777 . 1 1 93 93 PHE N N 15 119.841 0.055 . 1 . . . . . 222 PHE N . 27785 1 778 . 1 1 94 94 ASN H H 1 8.210 0.011 . 1 . . . . . 223 ASN H . 27785 1 779 . 1 1 94 94 ASN HA H 1 4.678 0.000 . 1 . . . . . 223 ASN HA . 27785 1 780 . 1 1 94 94 ASN HB2 H 1 2.723 0.000 . 2 . . . . . 223 ASN HB2 . 27785 1 781 . 1 1 94 94 ASN HB3 H 1 2.802 0.000 . 2 . . . . . 223 ASN HB3 . 27785 1 782 . 1 1 94 94 ASN C C 13 174.653 0.000 . 1 . . . . . 223 ASN C . 27785 1 783 . 1 1 94 94 ASN CA C 13 53.161 0.000 . 1 . . . . . 223 ASN CA . 27785 1 784 . 1 1 94 94 ASN CB C 13 39.654 0.000 . 1 . . . . . 223 ASN CB . 27785 1 785 . 1 1 94 94 ASN N N 15 120.001 0.065 . 1 . . . . . 223 ASN N . 27785 1 786 . 1 1 95 95 ASP HA H 1 4.521 0.013 . 1 . . . . . 224 ASP HA . 27785 1 787 . 1 1 95 95 ASP HB2 H 1 2.690 0.000 . 2 . . . . . 224 ASP HB2 . 27785 1 788 . 1 1 95 95 ASP HB3 H 1 2.604 0.000 . 2 . . . . . 224 ASP HB3 . 27785 1 789 . 1 1 95 95 ASP C C 13 176.093 0.000 . 1 . . . . . 224 ASP C . 27785 1 790 . 1 1 95 95 ASP CA C 13 54.582 0.000 . 1 . . . . . 224 ASP CA . 27785 1 791 . 1 1 95 95 ASP CB C 13 41.334 0.096 . 1 . . . . . 224 ASP CB . 27785 1 792 . 1 1 96 96 ASP H H 1 8.280 0.005 . 1 . . . . . 225 ASP H . 27785 1 793 . 1 1 96 96 ASP HA H 1 4.545 0.000 . 1 . . . . . 225 ASP HA . 27785 1 794 . 1 1 96 96 ASP HB2 H 1 2.727 0.000 . 1 . . . . . 225 ASP HB2 . 27785 1 795 . 1 1 96 96 ASP HB3 H 1 2.727 0.000 . 1 . . . . . 225 ASP HB3 . 27785 1 796 . 1 1 96 96 ASP C C 13 176.918 0.011 . 1 . . . . . 225 ASP C . 27785 1 797 . 1 1 96 96 ASP CA C 13 58.528 0.005 . 1 . . . . . 225 ASP CA . 27785 1 798 . 1 1 96 96 ASP CB C 13 42.879 0.000 . 1 . . . . . 225 ASP CB . 27785 1 799 . 1 1 96 96 ASP N N 15 120.083 0.035 . 1 . . . . . 225 ASP N . 27785 1 800 . 1 1 97 97 GLN H H 1 8.427 0.005 . 1 . . . . . 226 GLN H . 27785 1 801 . 1 1 97 97 GLN HA H 1 4.218 0.018 . 1 . . . . . 226 GLN HA . 27785 1 802 . 1 1 97 97 GLN HB2 H 1 2.196 0.018 . 2 . . . . . 226 GLN HB2 . 27785 1 803 . 1 1 97 97 GLN HB3 H 1 1.998 0.019 . 2 . . . . . 226 GLN HB3 . 27785 1 804 . 1 1 97 97 GLN HG2 H 1 2.360 0.017 . 1 . . . . . 226 GLN HG2 . 27785 1 805 . 1 1 97 97 GLN HG3 H 1 2.360 0.017 . 1 . . . . . 226 GLN HG3 . 27785 1 806 . 1 1 97 97 GLN C C 13 176.565 0.004 . 1 . . . . . 226 GLN C . 27785 1 807 . 1 1 97 97 GLN CA C 13 56.573 0.034 . 1 . . . . . 226 GLN CA . 27785 1 808 . 1 1 97 97 GLN CB C 13 28.866 0.021 . 1 . . . . . 226 GLN CB . 27785 1 809 . 1 1 97 97 GLN CG C 13 33.973 0.000 . 1 . . . . . 226 GLN CG . 27785 1 810 . 1 1 97 97 GLN N N 15 119.479 0.049 . 1 . . . . . 226 GLN N . 27785 1 811 . 1 1 98 98 SER H H 1 8.299 0.005 . 1 . . . . . 227 SER H . 27785 1 812 . 1 1 98 98 SER HA H 1 4.333 0.000 . 1 . . . . . 227 SER HA . 27785 1 813 . 1 1 98 98 SER HB2 H 1 3.926 0.015 . 1 . . . . . 227 SER HB2 . 27785 1 814 . 1 1 98 98 SER HB3 H 1 3.926 0.015 . 1 . . . . . 227 SER HB3 . 27785 1 815 . 1 1 98 98 SER C C 13 174.980 0.032 . 1 . . . . . 227 SER C . 27785 1 816 . 1 1 98 98 SER CA C 13 59.635 0.053 . 1 . . . . . 227 SER CA . 27785 1 817 . 1 1 98 98 SER CB C 13 63.805 0.057 . 1 . . . . . 227 SER CB . 27785 1 818 . 1 1 98 98 SER N N 15 115.477 0.022 . 1 . . . . . 227 SER N . 27785 1 819 . 1 1 99 99 ILE H H 1 7.918 0.005 . 1 . . . . . 228 ILE H . 27785 1 820 . 1 1 99 99 ILE HA H 1 4.108 0.014 . 1 . . . . . 228 ILE HA . 27785 1 821 . 1 1 99 99 ILE HB H 1 1.854 0.002 . 1 . . . . . 228 ILE HB . 27785 1 822 . 1 1 99 99 ILE HG12 H 1 1.433 0.002 . 2 . . . . . 228 ILE HG12 . 27785 1 823 . 1 1 99 99 ILE HG13 H 1 1.154 0.003 . 2 . . . . . 228 ILE HG13 . 27785 1 824 . 1 1 99 99 ILE HG21 H 1 0.864 0.014 . 1 . . . . . 228 ILE HG21 . 27785 1 825 . 1 1 99 99 ILE HG22 H 1 0.864 0.014 . 1 . . . . . 228 ILE HG22 . 27785 1 826 . 1 1 99 99 ILE HG23 H 1 0.864 0.014 . 1 . . . . . 228 ILE HG23 . 27785 1 827 . 1 1 99 99 ILE HD11 H 1 0.829 0.003 . 1 . . . . . 228 ILE HD11 . 27785 1 828 . 1 1 99 99 ILE HD12 H 1 0.829 0.003 . 1 . . . . . 228 ILE HD12 . 27785 1 829 . 1 1 99 99 ILE HD13 H 1 0.829 0.003 . 1 . . . . . 228 ILE HD13 . 27785 1 830 . 1 1 99 99 ILE C C 13 176.411 0.020 . 1 . . . . . 228 ILE C . 27785 1 831 . 1 1 99 99 ILE CA C 13 61.631 0.090 . 1 . . . . . 228 ILE CA . 27785 1 832 . 1 1 99 99 ILE CB C 13 38.418 0.082 . 1 . . . . . 228 ILE CB . 27785 1 833 . 1 1 99 99 ILE CG1 C 13 27.665 0.075 . 1 . . . . . 228 ILE CG1 . 27785 1 834 . 1 1 99 99 ILE CG2 C 13 17.540 0.052 . 1 . . . . . 228 ILE CG2 . 27785 1 835 . 1 1 99 99 ILE CD1 C 13 13.094 0.087 . 1 . . . . . 228 ILE CD1 . 27785 1 836 . 1 1 99 99 ILE N N 15 121.136 0.041 . 1 . . . . . 228 ILE N . 27785 1 837 . 1 1 100 100 LYS H H 1 8.208 0.003 . 1 . . . . . 229 LYS H . 27785 1 838 . 1 1 100 100 LYS HA H 1 4.270 0.000 . 1 . . . . . 229 LYS HA . 27785 1 839 . 1 1 100 100 LYS C C 13 176.640 0.027 . 1 . . . . . 229 LYS C . 27785 1 840 . 1 1 100 100 LYS CA C 13 56.679 0.000 . 1 . . . . . 229 LYS CA . 27785 1 841 . 1 1 100 100 LYS CB C 13 33.017 0.073 . 1 . . . . . 229 LYS CB . 27785 1 842 . 1 1 100 100 LYS N N 15 123.985 0.024 . 1 . . . . . 229 LYS N . 27785 1 843 . 1 1 101 101 LYS H H 1 8.275 0.006 . 1 . . . . . 230 LYS H . 27785 1 844 . 1 1 101 101 LYS HA H 1 4.351 0.000 . 1 . . . . . 230 LYS HA . 27785 1 845 . 1 1 101 101 LYS C C 13 176.748 0.017 . 1 . . . . . 230 LYS C . 27785 1 846 . 1 1 101 101 LYS CA C 13 56.652 0.057 . 1 . . . . . 230 LYS CA . 27785 1 847 . 1 1 101 101 LYS CB C 13 33.311 0.077 . 1 . . . . . 230 LYS CB . 27785 1 848 . 1 1 101 101 LYS N N 15 121.805 0.037 . 1 . . . . . 230 LYS N . 27785 1 849 . 1 1 102 102 THR H H 1 8.187 0.008 . 1 . . . . . 231 THR H . 27785 1 850 . 1 1 102 102 THR HA H 1 4.273 0.009 . 1 . . . . . 231 THR HA . 27785 1 851 . 1 1 102 102 THR HB H 1 4.165 0.006 . 1 . . . . . 231 THR HB . 27785 1 852 . 1 1 102 102 THR HG21 H 1 1.171 0.003 . 1 . . . . . 231 THR HG21 . 27785 1 853 . 1 1 102 102 THR HG22 H 1 1.171 0.003 . 1 . . . . . 231 THR HG22 . 27785 1 854 . 1 1 102 102 THR HG23 H 1 1.171 0.003 . 1 . . . . . 231 THR HG23 . 27785 1 855 . 1 1 102 102 THR C C 13 174.406 0.019 . 1 . . . . . 231 THR C . 27785 1 856 . 1 1 102 102 THR CA C 13 62.247 0.104 . 1 . . . . . 231 THR CA . 27785 1 857 . 1 1 102 102 THR CB C 13 69.980 0.045 . 1 . . . . . 231 THR CB . 27785 1 858 . 1 1 102 102 THR CG2 C 13 21.638 0.096 . 1 . . . . . 231 THR CG2 . 27785 1 859 . 1 1 102 102 THR N N 15 114.968 0.112 . 1 . . . . . 231 THR N . 27785 1 860 . 1 1 103 103 ARG H H 1 8.344 0.002 . 1 . . . . . 232 ARG H . 27785 1 861 . 1 1 103 103 ARG C C 13 177.002 0.000 . 1 . . . . . 232 ARG C . 27785 1 862 . 1 1 103 103 ARG CA C 13 56.267 0.029 . 1 . . . . . 232 ARG CA . 27785 1 863 . 1 1 103 103 ARG CB C 13 31.066 0.017 . 1 . . . . . 232 ARG CB . 27785 1 864 . 1 1 103 103 ARG N N 15 122.964 0.032 . 1 . . . . . 232 ARG N . 27785 1 865 . 1 1 104 104 LEU H H 1 8.342 0.002 . 1 . . . . . 233 LEU H . 27785 1 866 . 1 1 104 104 LEU HA H 1 4.300 0.002 . 1 . . . . . 233 LEU HA . 27785 1 867 . 1 1 104 104 LEU HB2 H 1 1.482 0.002 . 2 . . . . . 233 LEU HB2 . 27785 1 868 . 1 1 104 104 LEU HB3 H 1 1.567 0.001 . 2 . . . . . 233 LEU HB3 . 27785 1 869 . 1 1 104 104 LEU HG H 1 1.613 0.004 . 1 . . . . . 233 LEU HG . 27785 1 870 . 1 1 104 104 LEU HD11 H 1 0.825 0.000 . 2 . . . . . 233 LEU HD11 . 27785 1 871 . 1 1 104 104 LEU HD12 H 1 0.825 0.000 . 2 . . . . . 233 LEU HD12 . 27785 1 872 . 1 1 104 104 LEU HD13 H 1 0.825 0.000 . 2 . . . . . 233 LEU HD13 . 27785 1 873 . 1 1 104 104 LEU HD21 H 1 0.891 0.000 . 2 . . . . . 233 LEU HD21 . 27785 1 874 . 1 1 104 104 LEU HD22 H 1 0.891 0.000 . 2 . . . . . 233 LEU HD22 . 27785 1 875 . 1 1 104 104 LEU HD23 H 1 0.891 0.000 . 2 . . . . . 233 LEU HD23 . 27785 1 876 . 1 1 104 104 LEU C C 13 177.032 0.000 . 1 . . . . . 233 LEU C . 27785 1 877 . 1 1 104 104 LEU CA C 13 55.263 0.072 . 1 . . . . . 233 LEU CA . 27785 1 878 . 1 1 104 104 LEU CB C 13 42.342 0.075 . 1 . . . . . 233 LEU CB . 27785 1 879 . 1 1 104 104 LEU CG C 13 27.442 0.000 . 1 . . . . . 233 LEU CG . 27785 1 880 . 1 1 104 104 LEU CD1 C 13 23.392 0.000 . 2 . . . . . 233 LEU CD1 . 27785 1 881 . 1 1 104 104 LEU CD2 C 13 25.054 0.000 . 2 . . . . . 233 LEU CD2 . 27785 1 882 . 1 1 104 104 LEU N N 15 122.986 0.026 . 1 . . . . . 233 LEU N . 27785 1 883 . 1 1 105 105 ASP H H 1 8.325 0.005 . 1 . . . . . 234 ASP H . 27785 1 884 . 1 1 105 105 ASP HA H 1 4.557 0.000 . 1 . . . . . 234 ASP HA . 27785 1 885 . 1 1 105 105 ASP HB2 H 1 2.606 0.018 . 1 . . . . . 234 ASP HB2 . 27785 1 886 . 1 1 105 105 ASP HB3 H 1 2.606 0.018 . 1 . . . . . 234 ASP HB3 . 27785 1 887 . 1 1 105 105 ASP C C 13 175.976 0.015 . 1 . . . . . 234 ASP C . 27785 1 888 . 1 1 105 105 ASP CA C 13 54.252 0.083 . 1 . . . . . 234 ASP CA . 27785 1 889 . 1 1 105 105 ASP CB C 13 41.354 0.000 . 1 . . . . . 234 ASP CB . 27785 1 890 . 1 1 105 105 ASP N N 15 120.109 0.035 . 1 . . . . . 234 ASP N . 27785 1 891 . 1 1 106 106 HIS H H 1 8.320 0.009 . 1 . . . . . 235 HIS H . 27785 1 892 . 1 1 106 106 HIS HA H 1 4.657 0.000 . 1 . . . . . 235 HIS HA . 27785 1 893 . 1 1 106 106 HIS HB2 H 1 3.256 0.000 . 2 . . . . . 235 HIS HB2 . 27785 1 894 . 1 1 106 106 HIS HB3 H 1 3.125 0.000 . 2 . . . . . 235 HIS HB3 . 27785 1 895 . 1 1 106 106 HIS C C 13 175.537 0.016 . 1 . . . . . 235 HIS C . 27785 1 896 . 1 1 106 106 HIS CA C 13 56.118 0.026 . 1 . . . . . 235 HIS CA . 27785 1 897 . 1 1 106 106 HIS CB C 13 30.043 0.059 . 1 . . . . . 235 HIS CB . 27785 1 898 . 1 1 106 106 HIS N N 15 118.452 0.085 . 1 . . . . . 235 HIS N . 27785 1 899 . 1 1 107 107 GLY H H 1 8.468 0.003 . 1 . . . . . 236 GLY H . 27785 1 900 . 1 1 107 107 GLY HA2 H 1 3.965 0.000 . 1 . . . . . 236 GLY HA2 . 27785 1 901 . 1 1 107 107 GLY HA3 H 1 3.965 0.000 . 1 . . . . . 236 GLY HA3 . 27785 1 902 . 1 1 107 107 GLY C C 13 174.185 0.000 . 1 . . . . . 236 GLY C . 27785 1 903 . 1 1 107 107 GLY CA C 13 45.561 0.098 . 1 . . . . . 236 GLY CA . 27785 1 904 . 1 1 107 107 GLY N N 15 109.215 0.018 . 1 . . . . . 236 GLY N . 27785 1 905 . 1 1 108 108 GLU H H 1 8.448 0.003 . 1 . . . . . 237 GLU H . 27785 1 906 . 1 1 108 108 GLU HA H 1 4.289 0.028 . 1 . . . . . 237 GLU HA . 27785 1 907 . 1 1 108 108 GLU HB2 H 1 2.062 0.018 . 2 . . . . . 237 GLU HB2 . 27785 1 908 . 1 1 108 108 GLU HB3 H 1 1.925 0.010 . 2 . . . . . 237 GLU HB3 . 27785 1 909 . 1 1 108 108 GLU HG2 H 1 2.251 0.006 . 1 . . . . . 237 GLU HG2 . 27785 1 910 . 1 1 108 108 GLU HG3 H 1 2.251 0.006 . 1 . . . . . 237 GLU HG3 . 27785 1 911 . 1 1 108 108 GLU C C 13 176.721 0.011 . 1 . . . . . 237 GLU C . 27785 1 912 . 1 1 108 108 GLU CA C 13 56.778 0.070 . 1 . . . . . 237 GLU CA . 27785 1 913 . 1 1 108 108 GLU CB C 13 30.546 0.070 . 1 . . . . . 237 GLU CB . 27785 1 914 . 1 1 108 108 GLU CG C 13 36.272 0.000 . 1 . . . . . 237 GLU CG . 27785 1 915 . 1 1 108 108 GLU N N 15 120.145 0.094 . 1 . . . . . 237 GLU N . 27785 1 916 . 1 1 109 109 GLU H H 1 8.574 0.004 . 1 . . . . . 238 GLU H . 27785 1 917 . 1 1 109 109 GLU HA H 1 4.317 0.000 . 1 . . . . . 238 GLU HA . 27785 1 918 . 1 1 109 109 GLU HB2 H 1 1.964 0.000 . 2 . . . . . 238 GLU HB2 . 27785 1 919 . 1 1 109 109 GLU HB3 H 1 2.079 0.000 . 2 . . . . . 238 GLU HB3 . 27785 1 920 . 1 1 109 109 GLU HG2 H 1 2.291 0.000 . 1 . . . . . 238 GLU HG2 . 27785 1 921 . 1 1 109 109 GLU HG3 H 1 2.291 0.000 . 1 . . . . . 238 GLU HG3 . 27785 1 922 . 1 1 109 109 GLU C C 13 176.560 0.000 . 1 . . . . . 238 GLU C . 27785 1 923 . 1 1 109 109 GLU CA C 13 57.560 0.169 . 1 . . . . . 238 GLU CA . 27785 1 924 . 1 1 109 109 GLU CB C 13 30.356 0.000 . 1 . . . . . 238 GLU CB . 27785 1 925 . 1 1 109 109 GLU N N 15 121.198 0.021 . 1 . . . . . 238 GLU N . 27785 1 926 . 1 1 110 110 SER HA H 1 4.417 0.000 . 1 . . . . . 239 SER HA . 27785 1 927 . 1 1 110 110 SER HB3 H 1 3.830 0.000 . 1 . . . . . 239 SER HB3 . 27785 1 928 . 1 1 110 110 SER C C 13 174.345 0.000 . 1 . . . . . 239 SER C . 27785 1 929 . 1 1 110 110 SER CA C 13 58.360 0.003 . 1 . . . . . 239 SER CA . 27785 1 930 . 1 1 110 110 SER CB C 13 63.973 0.058 . 1 . . . . . 239 SER CB . 27785 1 931 . 1 1 111 111 ASN H H 1 8.534 0.004 . 1 . . . . . 240 ASN H . 27785 1 932 . 1 1 111 111 ASN HA H 1 4.762 0.000 . 1 . . . . . 240 ASN HA . 27785 1 933 . 1 1 111 111 ASN HB2 H 1 2.836 0.000 . 2 . . . . . 240 ASN HB2 . 27785 1 934 . 1 1 111 111 ASN HB3 H 1 2.744 0.023 . 2 . . . . . 240 ASN HB3 . 27785 1 935 . 1 1 111 111 ASN C C 13 175.378 0.006 . 1 . . . . . 240 ASN C . 27785 1 936 . 1 1 111 111 ASN CA C 13 53.533 0.055 . 1 . . . . . 240 ASN CA . 27785 1 937 . 1 1 111 111 ASN CB C 13 39.159 0.020 . 1 . . . . . 240 ASN CB . 27785 1 938 . 1 1 111 111 ASN N N 15 120.709 0.033 . 1 . . . . . 240 ASN N . 27785 1 939 . 1 1 112 112 GLU H H 1 8.450 0.003 . 1 . . . . . 241 GLU H . 27785 1 940 . 1 1 112 112 GLU HA H 1 4.297 0.000 . 1 . . . . . 241 GLU HA . 27785 1 941 . 1 1 112 112 GLU HB2 H 1 1.948 0.000 . 2 . . . . . 241 GLU HB2 . 27785 1 942 . 1 1 112 112 GLU HB3 H 1 2.076 0.000 . 2 . . . . . 241 GLU HB3 . 27785 1 943 . 1 1 112 112 GLU CA C 13 56.973 0.132 . 1 . . . . . 241 GLU CA . 27785 1 944 . 1 1 112 112 GLU CB C 13 30.257 0.217 . 1 . . . . . 241 GLU CB . 27785 1 945 . 1 1 112 112 GLU CG C 13 36.354 0.000 . 1 . . . . . 241 GLU CG . 27785 1 946 . 1 1 112 112 GLU N N 15 120.670 0.036 . 1 . . . . . 241 GLU N . 27785 1 947 . 1 1 113 113 SER H H 1 8.375 0.010 . 1 . . . . . 242 SER H . 27785 1 948 . 1 1 113 113 SER HA H 1 4.435 0.000 . 1 . . . . . 242 SER HA . 27785 1 949 . 1 1 113 113 SER HB3 H 1 3.920 0.000 . 1 . . . . . 242 SER HB3 . 27785 1 950 . 1 1 113 113 SER C C 13 174.785 0.014 . 1 . . . . . 242 SER C . 27785 1 951 . 1 1 113 113 SER CA C 13 58.530 0.122 . 1 . . . . . 242 SER CA . 27785 1 952 . 1 1 113 113 SER CB C 13 63.943 0.069 . 1 . . . . . 242 SER CB . 27785 1 953 . 1 1 113 113 SER N N 15 116.097 0.048 . 1 . . . . . 242 SER N . 27785 1 954 . 1 1 114 114 ALA H H 1 8.371 0.010 . 1 . . . . . 243 ALA H . 27785 1 955 . 1 1 114 114 ALA HA H 1 4.266 0.012 . 1 . . . . . 243 ALA HA . 27785 1 956 . 1 1 114 114 ALA HB1 H 1 1.388 0.009 . 1 . . . . . 243 ALA HB1 . 27785 1 957 . 1 1 114 114 ALA HB2 H 1 1.388 0.009 . 1 . . . . . 243 ALA HB2 . 27785 1 958 . 1 1 114 114 ALA HB3 H 1 1.388 0.009 . 1 . . . . . 243 ALA HB3 . 27785 1 959 . 1 1 114 114 ALA C C 13 178.221 0.001 . 1 . . . . . 243 ALA C . 27785 1 960 . 1 1 114 114 ALA CA C 13 53.213 0.073 . 1 . . . . . 243 ALA CA . 27785 1 961 . 1 1 114 114 ALA CB C 13 19.171 0.090 . 1 . . . . . 243 ALA CB . 27785 1 962 . 1 1 114 114 ALA N N 15 125.494 0.020 . 1 . . . . . 243 ALA N . 27785 1 963 . 1 1 115 115 GLU H H 1 8.339 0.004 . 1 . . . . . 244 GLU H . 27785 1 964 . 1 1 115 115 GLU HA H 1 4.222 0.000 . 1 . . . . . 244 GLU HA . 27785 1 965 . 1 1 115 115 GLU HB2 H 1 1.967 0.000 . 2 . . . . . 244 GLU HB2 . 27785 1 966 . 1 1 115 115 GLU HB3 H 1 2.043 0.000 . 2 . . . . . 244 GLU HB3 . 27785 1 967 . 1 1 115 115 GLU HG2 H 1 2.278 0.000 . 1 . . . . . 244 GLU HG2 . 27785 1 968 . 1 1 115 115 GLU HG3 H 1 2.278 0.000 . 1 . . . . . 244 GLU HG3 . 27785 1 969 . 1 1 115 115 GLU C C 13 177.025 0.002 . 1 . . . . . 244 GLU C . 27785 1 970 . 1 1 115 115 GLU CA C 13 57.216 0.002 . 1 . . . . . 244 GLU CA . 27785 1 971 . 1 1 115 115 GLU CB C 13 29.966 0.000 . 1 . . . . . 244 GLU CB . 27785 1 972 . 1 1 115 115 GLU N N 15 118.489 0.031 . 1 . . . . . 244 GLU N . 27785 1 973 . 1 1 116 116 SER H H 1 8.206 0.006 . 1 . . . . . 245 SER H . 27785 1 974 . 1 1 116 116 SER HA H 1 4.394 0.013 . 1 . . . . . 245 SER HA . 27785 1 975 . 1 1 116 116 SER HB2 H 1 3.839 0.000 . 2 . . . . . 245 SER HB2 . 27785 1 976 . 1 1 116 116 SER HB3 H 1 3.925 0.017 . 2 . . . . . 245 SER HB3 . 27785 1 977 . 1 1 116 116 SER C C 13 175.131 0.000 . 1 . . . . . 245 SER C . 27785 1 978 . 1 1 116 116 SER CA C 13 59.062 0.044 . 1 . . . . . 245 SER CA . 27785 1 979 . 1 1 116 116 SER CB C 13 63.864 0.046 . 1 . . . . . 245 SER CB . 27785 1 980 . 1 1 116 116 SER N N 15 115.378 0.034 . 1 . . . . . 245 SER N . 27785 1 981 . 1 1 117 117 SER CA C 13 59.216 0.031 . 1 . . . . . 246 SER CA . 27785 1 982 . 1 1 117 117 SER CB C 13 63.788 0.031 . 1 . . . . . 246 SER CB . 27785 1 983 . 1 1 118 118 ASN H H 1 8.347 0.007 . 1 . . . . . 247 ASN H . 27785 1 984 . 1 1 118 118 ASN HA H 1 4.604 0.000 . 1 . . . . . 247 ASN HA . 27785 1 985 . 1 1 118 118 ASN HB2 H 1 2.717 0.000 . 1 . . . . . 247 ASN HB2 . 27785 1 986 . 1 1 118 118 ASN HB3 H 1 2.717 0.000 . 1 . . . . . 247 ASN HB3 . 27785 1 987 . 1 1 118 118 ASN CA C 13 53.768 0.053 . 1 . . . . . 247 ASN CA . 27785 1 988 . 1 1 118 118 ASN CB C 13 38.693 0.000 . 1 . . . . . 247 ASN CB . 27785 1 989 . 1 1 118 118 ASN N N 15 119.629 0.044 . 1 . . . . . 247 ASN N . 27785 1 990 . 1 1 119 119 ASN H H 1 8.166 0.008 . 1 . . . . . 248 ASN H . 27785 1 991 . 1 1 119 119 ASN HD21 H 1 7.588 0.002 . 1 . . . . . 248 ASN HD21 . 27785 1 992 . 1 1 119 119 ASN HD22 H 1 6.847 0.000 . 1 . . . . . 248 ASN HD22 . 27785 1 993 . 1 1 119 119 ASN CA C 13 54.335 0.068 . 1 . . . . . 248 ASN CA . 27785 1 994 . 1 1 119 119 ASN CB C 13 38.830 0.000 . 1 . . . . . 248 ASN CB . 27785 1 995 . 1 1 119 119 ASN N N 15 118.431 0.016 . 1 . . . . . 248 ASN N . 27785 1 996 . 1 1 119 119 ASN ND2 N 15 112.010 0.001 . 1 . . . . . 248 ASN ND2 . 27785 1 997 . 1 1 120 120 TRP HD1 H 1 7.240 0.000 . 1 . . . . . 249 TRP HD1 . 27785 1 998 . 1 1 120 120 TRP HE1 H 1 10.127 0.002 . 1 . . . . . 249 TRP HE1 . 27785 1 999 . 1 1 120 120 TRP HZ2 H 1 7.432 0.000 . 1 . . . . . 249 TRP HZ2 . 27785 1 1000 . 1 1 120 120 TRP N N 15 128.822 0.020 . 1 . . . . . 249 TRP N . 27785 1 1001 . 1 1 120 120 TRP NE1 N 15 128.993 0.044 . 1 . . . . . 249 TRP NE1 . 27785 1 1002 . 1 1 121 121 GLU HA H 1 3.787 0.022 . 1 . . . . . 250 GLU HA . 27785 1 1003 . 1 1 121 121 GLU HB2 H 1 1.985 0.006 . 1 . . . . . 250 GLU HB2 . 27785 1 1004 . 1 1 121 121 GLU HB3 H 1 1.985 0.006 . 1 . . . . . 250 GLU HB3 . 27785 1 1005 . 1 1 121 121 GLU C C 13 179.269 0.000 . 1 . . . . . 250 GLU C . 27785 1 1006 . 1 1 121 121 GLU CA C 13 59.819 0.063 . 1 . . . . . 250 GLU CA . 27785 1 1007 . 1 1 121 121 GLU CB C 13 29.428 0.096 . 1 . . . . . 250 GLU CB . 27785 1 1008 . 1 1 122 122 LYS H H 1 7.918 0.008 . 1 . . . . . 251 LYS H . 27785 1 1009 . 1 1 122 122 LYS HA H 1 4.024 0.019 . 1 . . . . . 251 LYS HA . 27785 1 1010 . 1 1 122 122 LYS HB2 H 1 1.780 0.004 . 2 . . . . . 251 LYS HB2 . 27785 1 1011 . 1 1 122 122 LYS HB3 H 1 1.780 0.004 . 2 . . . . . 251 LYS HB3 . 27785 1 1012 . 1 1 122 122 LYS C C 13 179.573 0.004 . 1 . . . . . 251 LYS C . 27785 1 1013 . 1 1 122 122 LYS CA C 13 58.850 0.191 . 1 . . . . . 251 LYS CA . 27785 1 1014 . 1 1 122 122 LYS CB C 13 32.183 0.109 . 1 . . . . . 251 LYS CB . 27785 1 1015 . 1 1 122 122 LYS N N 15 120.174 0.076 . 1 . . . . . 251 LYS N . 27785 1 1016 . 1 1 123 123 GLN H H 1 7.863 0.007 . 1 . . . . . 252 GLN H . 27785 1 1017 . 1 1 123 123 GLN HA H 1 3.602 0.004 . 1 . . . . . 252 GLN HA . 27785 1 1018 . 1 1 123 123 GLN C C 13 178.073 0.003 . 1 . . . . . 252 GLN C . 27785 1 1019 . 1 1 123 123 GLN CA C 13 58.783 0.021 . 1 . . . . . 252 GLN CA . 27785 1 1020 . 1 1 123 123 GLN CB C 13 28.001 0.140 . 1 . . . . . 252 GLN CB . 27785 1 1021 . 1 1 123 123 GLN N N 15 118.255 0.030 . 1 . . . . . 252 GLN N . 27785 1 1022 . 1 1 124 124 GLU H H 1 8.326 0.011 . 1 . . . . . 253 GLU H . 27785 1 1023 . 1 1 124 124 GLU HA H 1 3.981 0.015 . 1 . . . . . 253 GLU HA . 27785 1 1024 . 1 1 124 124 GLU HB2 H 1 1.490 0.000 . 2 . . . . . 253 GLU HB2 . 27785 1 1025 . 1 1 124 124 GLU HB3 H 1 1.754 0.000 . 2 . . . . . 253 GLU HB3 . 27785 1 1026 . 1 1 124 124 GLU C C 13 178.725 0.000 . 1 . . . . . 253 GLU C . 27785 1 1027 . 1 1 124 124 GLU CA C 13 58.625 0.027 . 1 . . . . . 253 GLU CA . 27785 1 1028 . 1 1 124 124 GLU CB C 13 29.093 0.148 . 1 . . . . . 253 GLU CB . 27785 1 1029 . 1 1 124 124 GLU N N 15 118.774 0.024 . 1 . . . . . 253 GLU N . 27785 1 1030 . 1 1 125 125 SER H H 1 7.845 0.011 . 1 . . . . . 254 SER H . 27785 1 1031 . 1 1 125 125 SER HA H 1 4.191 0.010 . 1 . . . . . 254 SER HA . 27785 1 1032 . 1 1 125 125 SER HB2 H 1 3.975 0.025 . 1 . . . . . 254 SER HB2 . 27785 1 1033 . 1 1 125 125 SER HB3 H 1 3.975 0.025 . 1 . . . . . 254 SER HB3 . 27785 1 1034 . 1 1 125 125 SER CA C 13 61.951 0.066 . 1 . . . . . 254 SER CA . 27785 1 1035 . 1 1 125 125 SER CB C 13 63.019 0.058 . 1 . . . . . 254 SER CB . 27785 1 1036 . 1 1 125 125 SER N N 15 113.460 0.039 . 1 . . . . . 254 SER N . 27785 1 1037 . 1 1 126 126 ILE H H 1 7.675 0.010 . 1 . . . . . 255 ILE H . 27785 1 1038 . 1 1 126 126 ILE HA H 1 3.822 0.017 . 1 . . . . . 255 ILE HA . 27785 1 1039 . 1 1 126 126 ILE HB H 1 2.330 0.004 . 1 . . . . . 255 ILE HB . 27785 1 1040 . 1 1 126 126 ILE HG12 H 1 1.217 0.019 . 2 . . . . . 255 ILE HG12 . 27785 1 1041 . 1 1 126 126 ILE HG13 H 1 1.934 0.005 . 2 . . . . . 255 ILE HG13 . 27785 1 1042 . 1 1 126 126 ILE HG21 H 1 1.287 0.018 . 1 . . . . . 255 ILE HG21 . 27785 1 1043 . 1 1 126 126 ILE HG22 H 1 1.287 0.018 . 1 . . . . . 255 ILE HG22 . 27785 1 1044 . 1 1 126 126 ILE HG23 H 1 1.287 0.018 . 1 . . . . . 255 ILE HG23 . 27785 1 1045 . 1 1 126 126 ILE HD11 H 1 1.042 0.005 . 1 . . . . . 255 ILE HD11 . 27785 1 1046 . 1 1 126 126 ILE HD12 H 1 1.042 0.005 . 1 . . . . . 255 ILE HD12 . 27785 1 1047 . 1 1 126 126 ILE HD13 H 1 1.042 0.005 . 1 . . . . . 255 ILE HD13 . 27785 1 1048 . 1 1 126 126 ILE C C 13 177.759 0.000 . 1 . . . . . 255 ILE C . 27785 1 1049 . 1 1 126 126 ILE CA C 13 64.995 0.115 . 1 . . . . . 255 ILE CA . 27785 1 1050 . 1 1 126 126 ILE CB C 13 37.826 0.069 . 1 . . . . . 255 ILE CB . 27785 1 1051 . 1 1 126 126 ILE CG1 C 13 28.532 0.063 . 1 . . . . . 255 ILE CG1 . 27785 1 1052 . 1 1 126 126 ILE CG2 C 13 19.852 0.062 . 1 . . . . . 255 ILE CG2 . 27785 1 1053 . 1 1 126 126 ILE CD1 C 13 13.378 0.074 . 1 . . . . . 255 ILE CD1 . 27785 1 1054 . 1 1 126 126 ILE N N 15 123.267 0.037 . 1 . . . . . 255 ILE N . 27785 1 1055 . 1 1 127 127 VAL H H 1 8.175 0.008 . 1 . . . . . 256 VAL H . 27785 1 1056 . 1 1 127 127 VAL HA H 1 3.367 0.006 . 1 . . . . . 256 VAL HA . 27785 1 1057 . 1 1 127 127 VAL HB H 1 2.328 0.003 . 1 . . . . . 256 VAL HB . 27785 1 1058 . 1 1 127 127 VAL HG11 H 1 0.935 0.004 . 2 . . . . . 256 VAL HG11 . 27785 1 1059 . 1 1 127 127 VAL HG12 H 1 0.935 0.004 . 2 . . . . . 256 VAL HG12 . 27785 1 1060 . 1 1 127 127 VAL HG13 H 1 0.935 0.004 . 2 . . . . . 256 VAL HG13 . 27785 1 1061 . 1 1 127 127 VAL HG21 H 1 1.113 0.010 . 2 . . . . . 256 VAL HG21 . 27785 1 1062 . 1 1 127 127 VAL HG22 H 1 1.113 0.010 . 2 . . . . . 256 VAL HG22 . 27785 1 1063 . 1 1 127 127 VAL HG23 H 1 1.113 0.010 . 2 . . . . . 256 VAL HG23 . 27785 1 1064 . 1 1 127 127 VAL C C 13 177.853 0.000 . 1 . . . . . 256 VAL C . 27785 1 1065 . 1 1 127 127 VAL CA C 13 67.301 0.061 . 1 . . . . . 256 VAL CA . 27785 1 1066 . 1 1 127 127 VAL CB C 13 31.628 0.161 . 1 . . . . . 256 VAL CB . 27785 1 1067 . 1 1 127 127 VAL CG1 C 13 22.127 0.609 . 2 . . . . . 256 VAL CG1 . 27785 1 1068 . 1 1 127 127 VAL CG2 C 13 23.844 0.010 . 2 . . . . . 256 VAL CG2 . 27785 1 1069 . 1 1 127 127 VAL N N 15 120.949 0.026 . 1 . . . . . 256 VAL N . 27785 1 1070 . 1 1 128 128 LEU H H 1 8.191 0.005 . 1 . . . . . 257 LEU H . 27785 1 1071 . 1 1 128 128 LEU HA H 1 4.009 0.015 . 1 . . . . . 257 LEU HA . 27785 1 1072 . 1 1 128 128 LEU HB2 H 1 1.817 0.003 . 2 . . . . . 257 LEU HB2 . 27785 1 1073 . 1 1 128 128 LEU HB3 H 1 1.545 0.008 . 2 . . . . . 257 LEU HB3 . 27785 1 1074 . 1 1 128 128 LEU HG H 1 1.804 0.005 . 1 . . . . . 257 LEU HG . 27785 1 1075 . 1 1 128 128 LEU HD11 H 1 0.927 0.014 . 2 . . . . . 257 LEU HD11 . 27785 1 1076 . 1 1 128 128 LEU HD12 H 1 0.927 0.014 . 2 . . . . . 257 LEU HD12 . 27785 1 1077 . 1 1 128 128 LEU HD13 H 1 0.927 0.014 . 2 . . . . . 257 LEU HD13 . 27785 1 1078 . 1 1 128 128 LEU HD21 H 1 0.900 0.022 . 2 . . . . . 257 LEU HD21 . 27785 1 1079 . 1 1 128 128 LEU HD22 H 1 0.900 0.022 . 2 . . . . . 257 LEU HD22 . 27785 1 1080 . 1 1 128 128 LEU HD23 H 1 0.900 0.022 . 2 . . . . . 257 LEU HD23 . 27785 1 1081 . 1 1 128 128 LEU C C 13 179.660 0.020 . 1 . . . . . 257 LEU C . 27785 1 1082 . 1 1 128 128 LEU CA C 13 58.064 0.051 . 1 . . . . . 257 LEU CA . 27785 1 1083 . 1 1 128 128 LEU CB C 13 41.676 0.035 . 1 . . . . . 257 LEU CB . 27785 1 1084 . 1 1 128 128 LEU CG C 13 27.144 0.039 . 1 . . . . . 257 LEU CG . 27785 1 1085 . 1 1 128 128 LEU CD1 C 13 24.983 0.126 . 2 . . . . . 257 LEU CD1 . 27785 1 1086 . 1 1 128 128 LEU CD2 C 13 23.383 0.070 . 2 . . . . . 257 LEU CD2 . 27785 1 1087 . 1 1 128 128 LEU N N 15 117.308 0.026 . 1 . . . . . 257 LEU N . 27785 1 1088 . 1 1 129 129 LYS H H 1 7.621 0.009 . 1 . . . . . 258 LYS H . 27785 1 1089 . 1 1 129 129 LYS HA H 1 4.049 0.002 . 1 . . . . . 258 LYS HA . 27785 1 1090 . 1 1 129 129 LYS HB2 H 1 1.940 0.000 . 1 . . . . . 258 LYS HB2 . 27785 1 1091 . 1 1 129 129 LYS HB3 H 1 1.940 0.000 . 1 . . . . . 258 LYS HB3 . 27785 1 1092 . 1 1 129 129 LYS C C 13 179.490 0.016 . 1 . . . . . 258 LYS C . 27785 1 1093 . 1 1 129 129 LYS CA C 13 60.176 0.046 . 1 . . . . . 258 LYS CA . 27785 1 1094 . 1 1 129 129 LYS CB C 13 32.913 0.131 . 1 . . . . . 258 LYS CB . 27785 1 1095 . 1 1 129 129 LYS N N 15 120.092 0.048 . 1 . . . . . 258 LYS N . 27785 1 1096 . 1 1 130 130 LEU H H 1 8.357 0.007 . 1 . . . . . 259 LEU H . 27785 1 1097 . 1 1 130 130 LEU HA H 1 4.491 0.005 . 1 . . . . . 259 LEU HA . 27785 1 1098 . 1 1 130 130 LEU HB2 H 1 1.786 0.036 . 2 . . . . . 259 LEU HB2 . 27785 1 1099 . 1 1 130 130 LEU HB3 H 1 1.916 0.012 . 2 . . . . . 259 LEU HB3 . 27785 1 1100 . 1 1 130 130 LEU HG H 1 1.778 0.006 . 1 . . . . . 259 LEU HG . 27785 1 1101 . 1 1 130 130 LEU HD11 H 1 0.626 0.010 . 2 . . . . . 259 LEU HD11 . 27785 1 1102 . 1 1 130 130 LEU HD12 H 1 0.626 0.010 . 2 . . . . . 259 LEU HD12 . 27785 1 1103 . 1 1 130 130 LEU HD13 H 1 0.626 0.010 . 2 . . . . . 259 LEU HD13 . 27785 1 1104 . 1 1 130 130 LEU HD21 H 1 0.768 0.011 . 2 . . . . . 259 LEU HD21 . 27785 1 1105 . 1 1 130 130 LEU HD22 H 1 0.768 0.011 . 2 . . . . . 259 LEU HD22 . 27785 1 1106 . 1 1 130 130 LEU HD23 H 1 0.768 0.011 . 2 . . . . . 259 LEU HD23 . 27785 1 1107 . 1 1 130 130 LEU C C 13 178.793 0.023 . 1 . . . . . 259 LEU C . 27785 1 1108 . 1 1 130 130 LEU CA C 13 57.622 0.232 . 1 . . . . . 259 LEU CA . 27785 1 1109 . 1 1 130 130 LEU CB C 13 42.386 0.135 . 1 . . . . . 259 LEU CB . 27785 1 1110 . 1 1 130 130 LEU CG C 13 26.758 0.107 . 1 . . . . . 259 LEU CG . 27785 1 1111 . 1 1 130 130 LEU CD1 C 13 24.333 0.012 . 2 . . . . . 259 LEU CD1 . 27785 1 1112 . 1 1 130 130 LEU CD2 C 13 26.078 0.558 . 2 . . . . . 259 LEU CD2 . 27785 1 1113 . 1 1 130 130 LEU N N 15 120.336 0.060 . 1 . . . . . 259 LEU N . 27785 1 1114 . 1 1 131 131 GLN H H 1 8.877 0.008 . 1 . . . . . 260 GLN H . 27785 1 1115 . 1 1 131 131 GLN HA H 1 3.882 0.020 . 1 . . . . . 260 GLN HA . 27785 1 1116 . 1 1 131 131 GLN HB2 H 1 1.873 0.006 . 2 . . . . . 260 GLN HB2 . 27785 1 1117 . 1 1 131 131 GLN HB3 H 1 2.246 0.008 . 2 . . . . . 260 GLN HB3 . 27785 1 1118 . 1 1 131 131 GLN HG2 H 1 2.443 0.008 . 2 . . . . . 260 GLN HG2 . 27785 1 1119 . 1 1 131 131 GLN HG3 H 1 2.464 0.010 . 2 . . . . . 260 GLN HG3 . 27785 1 1120 . 1 1 131 131 GLN HE21 H 1 7.884 0.000 . 1 . . . . . 260 GLN HE21 . 27785 1 1121 . 1 1 131 131 GLN HE22 H 1 6.790 0.000 . 1 . . . . . 260 GLN HE22 . 27785 1 1122 . 1 1 131 131 GLN C C 13 177.159 0.018 . 1 . . . . . 260 GLN C . 27785 1 1123 . 1 1 131 131 GLN CA C 13 58.256 0.120 . 1 . . . . . 260 GLN CA . 27785 1 1124 . 1 1 131 131 GLN CB C 13 29.212 0.121 . 1 . . . . . 260 GLN CB . 27785 1 1125 . 1 1 131 131 GLN CG C 13 35.215 0.050 . 1 . . . . . 260 GLN CG . 27785 1 1126 . 1 1 131 131 GLN N N 15 119.492 0.039 . 1 . . . . . 260 GLN N . 27785 1 1127 . 1 1 131 131 GLN NE2 N 15 110.894 0.000 . 1 . . . . . 260 GLN NE2 . 27785 1 1128 . 1 1 132 132 LYS H H 1 7.505 0.007 . 1 . . . . . 261 LYS H . 27785 1 1129 . 1 1 132 132 LYS HA H 1 4.021 0.018 . 1 . . . . . 261 LYS HA . 27785 1 1130 . 1 1 132 132 LYS HB2 H 1 1.943 0.000 . 1 . . . . . 261 LYS HB2 . 27785 1 1131 . 1 1 132 132 LYS HB3 H 1 1.943 0.000 . 1 . . . . . 261 LYS HB3 . 27785 1 1132 . 1 1 132 132 LYS C C 13 178.712 0.014 . 1 . . . . . 261 LYS C . 27785 1 1133 . 1 1 132 132 LYS CA C 13 58.901 0.110 . 1 . . . . . 261 LYS CA . 27785 1 1134 . 1 1 132 132 LYS CB C 13 32.281 0.052 . 1 . . . . . 261 LYS CB . 27785 1 1135 . 1 1 132 132 LYS N N 15 115.549 0.057 . 1 . . . . . 261 LYS N . 27785 1 1136 . 1 1 133 133 GLU H H 1 7.136 0.013 . 1 . . . . . 262 GLU H . 27785 1 1137 . 1 1 133 133 GLU HA H 1 4.021 0.017 . 1 . . . . . 262 GLU HA . 27785 1 1138 . 1 1 133 133 GLU HB2 H 1 2.043 0.000 . 1 . . . . . 262 GLU HB2 . 27785 1 1139 . 1 1 133 133 GLU HB3 H 1 2.043 0.000 . 1 . . . . . 262 GLU HB3 . 27785 1 1140 . 1 1 133 133 GLU C C 13 175.897 0.003 . 1 . . . . . 262 GLU C . 27785 1 1141 . 1 1 133 133 GLU CA C 13 57.267 0.023 . 1 . . . . . 262 GLU CA . 27785 1 1142 . 1 1 133 133 GLU CB C 13 30.355 0.057 . 1 . . . . . 262 GLU CB . 27785 1 1143 . 1 1 133 133 GLU N N 15 115.543 0.042 . 1 . . . . . 262 GLU N . 27785 1 1144 . 1 1 134 134 PHE H H 1 7.720 0.007 . 1 . . . . . 263 PHE H . 27785 1 1145 . 1 1 134 134 PHE HA H 1 4.857 0.016 . 1 . . . . . 263 PHE HA . 27785 1 1146 . 1 1 134 134 PHE HB2 H 1 3.201 0.032 . 2 . . . . . 263 PHE HB2 . 27785 1 1147 . 1 1 134 134 PHE HB3 H 1 2.675 0.015 . 2 . . . . . 263 PHE HB3 . 27785 1 1148 . 1 1 134 134 PHE HD1 H 1 7.197 0.006 . 3 . . . . . 263 PHE HD1 . 27785 1 1149 . 1 1 134 134 PHE HD2 H 1 7.197 0.006 . 3 . . . . . 263 PHE HD2 . 27785 1 1150 . 1 1 134 134 PHE C C 13 172.987 0.000 . 1 . . . . . 263 PHE C . 27785 1 1151 . 1 1 134 134 PHE CA C 13 56.298 0.016 . 1 . . . . . 263 PHE CA . 27785 1 1152 . 1 1 134 134 PHE CB C 13 39.952 0.165 . 1 . . . . . 263 PHE CB . 27785 1 1153 . 1 1 134 134 PHE CD1 C 13 132.324 0.041 . 3 . . . . . 263 PHE CD1 . 27785 1 1154 . 1 1 134 134 PHE CD2 C 13 132.324 0.041 . 3 . . . . . 263 PHE CD2 . 27785 1 1155 . 1 1 134 134 PHE N N 15 116.505 0.045 . 1 . . . . . 263 PHE N . 27785 1 1156 . 1 1 135 135 PRO HA H 1 4.659 0.005 . 1 . . . . . 264 PRO HA . 27785 1 1157 . 1 1 135 135 PRO HB2 H 1 1.941 0.001 . 2 . . . . . 264 PRO HB2 . 27785 1 1158 . 1 1 135 135 PRO HB3 H 1 2.309 0.002 . 2 . . . . . 264 PRO HB3 . 27785 1 1159 . 1 1 135 135 PRO HD2 H 1 3.527 0.002 . 2 . . . . . 264 PRO HD2 . 27785 1 1160 . 1 1 135 135 PRO HD3 H 1 3.232 0.002 . 2 . . . . . 264 PRO HD3 . 27785 1 1161 . 1 1 135 135 PRO C C 13 177.675 0.000 . 1 . . . . . 264 PRO C . 27785 1 1162 . 1 1 135 135 PRO CA C 13 64.682 0.036 . 1 . . . . . 264 PRO CA . 27785 1 1163 . 1 1 135 135 PRO CB C 13 32.278 0.026 . 1 . . . . . 264 PRO CB . 27785 1 1164 . 1 1 135 135 PRO CD C 13 50.332 0.071 . 1 . . . . . 264 PRO CD . 27785 1 1165 . 1 1 136 136 ASN H H 1 8.829 0.010 . 1 . . . . . 265 ASN H . 27785 1 1166 . 1 1 136 136 ASN HA H 1 4.688 0.010 . 1 . . . . . 265 ASN HA . 27785 1 1167 . 1 1 136 136 ASN HB2 H 1 2.694 0.000 . 2 . . . . . 265 ASN HB2 . 27785 1 1168 . 1 1 136 136 ASN HB3 H 1 2.724 0.023 . 2 . . . . . 265 ASN HB3 . 27785 1 1169 . 1 1 136 136 ASN HD21 H 1 7.520 0.000 . 1 . . . . . 265 ASN HD21 . 27785 1 1170 . 1 1 136 136 ASN HD22 H 1 6.681 0.000 . 1 . . . . . 265 ASN HD22 . 27785 1 1171 . 1 1 136 136 ASN C C 13 174.875 0.015 . 1 . . . . . 265 ASN C . 27785 1 1172 . 1 1 136 136 ASN CA C 13 53.701 0.045 . 1 . . . . . 265 ASN CA . 27785 1 1173 . 1 1 136 136 ASN CB C 13 37.674 0.049 . 1 . . . . . 265 ASN CB . 27785 1 1174 . 1 1 136 136 ASN N N 15 113.860 0.026 . 1 . . . . . 265 ASN N . 27785 1 1175 . 1 1 136 136 ASN ND2 N 15 113.533 0.000 . 1 . . . . . 265 ASN ND2 . 27785 1 1176 . 1 1 137 137 PHE H H 1 7.780 0.006 . 1 . . . . . 266 PHE H . 27785 1 1177 . 1 1 137 137 PHE HA H 1 4.706 0.021 . 1 . . . . . 266 PHE HA . 27785 1 1178 . 1 1 137 137 PHE HB2 H 1 3.076 0.010 . 2 . . . . . 266 PHE HB2 . 27785 1 1179 . 1 1 137 137 PHE HB3 H 1 2.918 0.014 . 2 . . . . . 266 PHE HB3 . 27785 1 1180 . 1 1 137 137 PHE HD1 H 1 7.207 0.001 . 3 . . . . . 266 PHE HD1 . 27785 1 1181 . 1 1 137 137 PHE HD2 H 1 7.207 0.001 . 3 . . . . . 266 PHE HD2 . 27785 1 1182 . 1 1 137 137 PHE C C 13 175.126 0.000 . 1 . . . . . 266 PHE C . 27785 1 1183 . 1 1 137 137 PHE CA C 13 57.095 0.077 . 1 . . . . . 266 PHE CA . 27785 1 1184 . 1 1 137 137 PHE CB C 13 41.131 0.217 . 1 . . . . . 266 PHE CB . 27785 1 1185 . 1 1 137 137 PHE N N 15 120.289 0.030 . 1 . . . . . 266 PHE N . 27785 1 1186 . 1 1 138 138 ASP H H 1 9.163 0.006 . 1 . . . . . 267 ASP H . 27785 1 1187 . 1 1 138 138 ASP HA H 1 4.632 0.000 . 1 . . . . . 267 ASP HA . 27785 1 1188 . 1 1 138 138 ASP HB2 H 1 2.741 0.000 . 2 . . . . . 267 ASP HB2 . 27785 1 1189 . 1 1 138 138 ASP HB3 H 1 2.948 0.000 . 2 . . . . . 267 ASP HB3 . 27785 1 1190 . 1 1 138 138 ASP C C 13 176.927 0.012 . 1 . . . . . 267 ASP C . 27785 1 1191 . 1 1 138 138 ASP CA C 13 53.540 0.026 . 1 . . . . . 267 ASP CA . 27785 1 1192 . 1 1 138 138 ASP CB C 13 42.911 0.039 . 1 . . . . . 267 ASP CB . 27785 1 1193 . 1 1 138 138 ASP N N 15 121.342 0.045 . 1 . . . . . 267 ASP N . 27785 1 1194 . 1 1 139 139 LYS H H 1 8.598 0.004 . 1 . . . . . 268 LYS H . 27785 1 1195 . 1 1 139 139 LYS HA H 1 3.748 0.019 . 1 . . . . . 268 LYS HA . 27785 1 1196 . 1 1 139 139 LYS HB2 H 1 1.858 0.005 . 2 . . . . . 268 LYS HB2 . 27785 1 1197 . 1 1 139 139 LYS HB3 H 1 1.849 0.001 . 2 . . . . . 268 LYS HB3 . 27785 1 1198 . 1 1 139 139 LYS C C 13 178.327 0.000 . 1 . . . . . 268 LYS C . 27785 1 1199 . 1 1 139 139 LYS CA C 13 61.044 0.054 . 1 . . . . . 268 LYS CA . 27785 1 1200 . 1 1 139 139 LYS CB C 13 32.747 0.080 . 1 . . . . . 268 LYS CB . 27785 1 1201 . 1 1 139 139 LYS N N 15 120.917 0.081 . 1 . . . . . 268 LYS N . 27785 1 1202 . 1 1 140 140 GLN H H 1 8.668 0.009 . 1 . . . . . 269 GLN H . 27785 1 1203 . 1 1 140 140 GLN HA H 1 4.103 0.019 . 1 . . . . . 269 GLN HA . 27785 1 1204 . 1 1 140 140 GLN HB2 H 1 2.142 0.015 . 2 . . . . . 269 GLN HB2 . 27785 1 1205 . 1 1 140 140 GLN HB3 H 1 2.227 0.004 . 2 . . . . . 269 GLN HB3 . 27785 1 1206 . 1 1 140 140 GLN C C 13 178.673 0.005 . 1 . . . . . 269 GLN C . 27785 1 1207 . 1 1 140 140 GLN CA C 13 59.288 0.018 . 1 . . . . . 269 GLN CA . 27785 1 1208 . 1 1 140 140 GLN CB C 13 27.946 0.145 . 1 . . . . . 269 GLN CB . 27785 1 1209 . 1 1 140 140 GLN N N 15 118.028 0.030 . 1 . . . . . 269 GLN N . 27785 1 1210 . 1 1 141 141 GLU H H 1 7.958 0.010 . 1 . . . . . 270 GLU H . 27785 1 1211 . 1 1 141 141 GLU HA H 1 4.093 0.020 . 1 . . . . . 270 GLU HA . 27785 1 1212 . 1 1 141 141 GLU HB2 H 1 2.003 0.000 . 2 . . . . . 270 GLU HB2 . 27785 1 1213 . 1 1 141 141 GLU HB3 H 1 2.336 0.000 . 2 . . . . . 270 GLU HB3 . 27785 1 1214 . 1 1 141 141 GLU C C 13 179.597 0.017 . 1 . . . . . 270 GLU C . 27785 1 1215 . 1 1 141 141 GLU CA C 13 59.276 0.080 . 1 . . . . . 270 GLU CA . 27785 1 1216 . 1 1 141 141 GLU CB C 13 29.984 0.062 . 1 . . . . . 270 GLU CB . 27785 1 1217 . 1 1 141 141 GLU N N 15 119.642 0.049 . 1 . . . . . 270 GLU N . 27785 1 1218 . 1 1 142 142 LEU H H 1 7.957 0.007 . 1 . . . . . 271 LEU H . 27785 1 1219 . 1 1 142 142 LEU HA H 1 3.813 0.017 . 1 . . . . . 271 LEU HA . 27785 1 1220 . 1 1 142 142 LEU HB2 H 1 1.178 0.009 . 2 . . . . . 271 LEU HB2 . 27785 1 1221 . 1 1 142 142 LEU HB3 H 1 1.981 0.004 . 2 . . . . . 271 LEU HB3 . 27785 1 1222 . 1 1 142 142 LEU HG H 1 1.815 0.007 . 1 . . . . . 271 LEU HG . 27785 1 1223 . 1 1 142 142 LEU HD11 H 1 0.847 0.015 . 2 . . . . . 271 LEU HD11 . 27785 1 1224 . 1 1 142 142 LEU HD12 H 1 0.847 0.015 . 2 . . . . . 271 LEU HD12 . 27785 1 1225 . 1 1 142 142 LEU HD13 H 1 0.847 0.015 . 2 . . . . . 271 LEU HD13 . 27785 1 1226 . 1 1 142 142 LEU HD21 H 1 0.490 0.011 . 2 . . . . . 271 LEU HD21 . 27785 1 1227 . 1 1 142 142 LEU HD22 H 1 0.490 0.011 . 2 . . . . . 271 LEU HD22 . 27785 1 1228 . 1 1 142 142 LEU HD23 H 1 0.490 0.011 . 2 . . . . . 271 LEU HD23 . 27785 1 1229 . 1 1 142 142 LEU C C 13 178.430 0.001 . 1 . . . . . 271 LEU C . 27785 1 1230 . 1 1 142 142 LEU CA C 13 57.571 0.056 . 1 . . . . . 271 LEU CA . 27785 1 1231 . 1 1 142 142 LEU CB C 13 42.065 0.143 . 1 . . . . . 271 LEU CB . 27785 1 1232 . 1 1 142 142 LEU CG C 13 26.237 0.207 . 1 . . . . . 271 LEU CG . 27785 1 1233 . 1 1 142 142 LEU CD1 C 13 25.817 0.086 . 2 . . . . . 271 LEU CD1 . 27785 1 1234 . 1 1 142 142 LEU CD2 C 13 22.891 0.344 . 2 . . . . . 271 LEU CD2 . 27785 1 1235 . 1 1 142 142 LEU N N 15 117.565 0.036 . 1 . . . . . 271 LEU N . 27785 1 1236 . 1 1 143 143 ARG H H 1 8.245 0.006 . 1 . . . . . 272 ARG H . 27785 1 1237 . 1 1 143 143 ARG HA H 1 3.667 0.025 . 1 . . . . . 272 ARG HA . 27785 1 1238 . 1 1 143 143 ARG HB2 H 1 1.998 0.005 . 2 . . . . . 272 ARG HB2 . 27785 1 1239 . 1 1 143 143 ARG HB3 H 1 2.002 0.013 . 2 . . . . . 272 ARG HB3 . 27785 1 1240 . 1 1 143 143 ARG HG2 H 1 1.783 0.004 . 2 . . . . . 272 ARG HG2 . 27785 1 1241 . 1 1 143 143 ARG HG3 H 1 1.619 0.012 . 2 . . . . . 272 ARG HG3 . 27785 1 1242 . 1 1 143 143 ARG HD2 H 1 3.220 0.008 . 2 . . . . . 272 ARG HD2 . 27785 1 1243 . 1 1 143 143 ARG HD3 H 1 3.461 0.007 . 2 . . . . . 272 ARG HD3 . 27785 1 1244 . 1 1 143 143 ARG C C 13 177.565 0.006 . 1 . . . . . 272 ARG C . 27785 1 1245 . 1 1 143 143 ARG CA C 13 60.435 0.036 . 1 . . . . . 272 ARG CA . 27785 1 1246 . 1 1 143 143 ARG CB C 13 30.129 0.200 . 1 . . . . . 272 ARG CB . 27785 1 1247 . 1 1 143 143 ARG CG C 13 29.704 0.199 . 1 . . . . . 272 ARG CG . 27785 1 1248 . 1 1 143 143 ARG CD C 13 43.199 0.083 . 1 . . . . . 272 ARG CD . 27785 1 1249 . 1 1 143 143 ARG N N 15 118.712 0.050 . 1 . . . . . 272 ARG N . 27785 1 1250 . 1 1 144 144 GLU H H 1 7.625 0.008 . 1 . . . . . 273 GLU H . 27785 1 1251 . 1 1 144 144 GLU HA H 1 3.957 0.024 . 1 . . . . . 273 GLU HA . 27785 1 1252 . 1 1 144 144 GLU HB2 H 1 2.103 0.012 . 1 . . . . . 273 GLU HB2 . 27785 1 1253 . 1 1 144 144 GLU HB3 H 1 2.103 0.012 . 1 . . . . . 273 GLU HB3 . 27785 1 1254 . 1 1 144 144 GLU C C 13 178.984 0.008 . 1 . . . . . 273 GLU C . 27785 1 1255 . 1 1 144 144 GLU CA C 13 59.421 0.049 . 1 . . . . . 273 GLU CA . 27785 1 1256 . 1 1 144 144 GLU CB C 13 28.985 0.070 . 1 . . . . . 273 GLU CB . 27785 1 1257 . 1 1 144 144 GLU N N 15 117.319 0.029 . 1 . . . . . 273 GLU N . 27785 1 1258 . 1 1 145 145 VAL H H 1 7.724 0.005 . 1 . . . . . 274 VAL H . 27785 1 1259 . 1 1 145 145 VAL HA H 1 3.717 0.020 . 1 . . . . . 274 VAL HA . 27785 1 1260 . 1 1 145 145 VAL HB H 1 1.914 0.008 . 1 . . . . . 274 VAL HB . 27785 1 1261 . 1 1 145 145 VAL HG11 H 1 0.894 0.006 . 2 . . . . . 274 VAL HG11 . 27785 1 1262 . 1 1 145 145 VAL HG12 H 1 0.894 0.006 . 2 . . . . . 274 VAL HG12 . 27785 1 1263 . 1 1 145 145 VAL HG13 H 1 0.894 0.006 . 2 . . . . . 274 VAL HG13 . 27785 1 1264 . 1 1 145 145 VAL HG21 H 1 0.668 0.007 . 2 . . . . . 274 VAL HG21 . 27785 1 1265 . 1 1 145 145 VAL HG22 H 1 0.668 0.007 . 2 . . . . . 274 VAL HG22 . 27785 1 1266 . 1 1 145 145 VAL HG23 H 1 0.668 0.007 . 2 . . . . . 274 VAL HG23 . 27785 1 1267 . 1 1 145 145 VAL C C 13 179.274 0.014 . 1 . . . . . 274 VAL C . 27785 1 1268 . 1 1 145 145 VAL CA C 13 66.136 0.029 . 1 . . . . . 274 VAL CA . 27785 1 1269 . 1 1 145 145 VAL CB C 13 31.811 0.085 . 1 . . . . . 274 VAL CB . 27785 1 1270 . 1 1 145 145 VAL CG1 C 13 21.656 0.660 . 2 . . . . . 274 VAL CG1 . 27785 1 1271 . 1 1 145 145 VAL CG2 C 13 21.128 0.104 . 2 . . . . . 274 VAL CG2 . 27785 1 1272 . 1 1 145 145 VAL N N 15 119.710 0.047 . 1 . . . . . 274 VAL N . 27785 1 1273 . 1 1 146 146 LEU H H 1 7.986 0.011 . 1 . . . . . 275 LEU H . 27785 1 1274 . 1 1 146 146 LEU HA H 1 3.254 0.018 . 1 . . . . . 275 LEU HA . 27785 1 1275 . 1 1 146 146 LEU HB2 H 1 0.071 0.015 . 2 . . . . . 275 LEU HB2 . 27785 1 1276 . 1 1 146 146 LEU HB3 H 1 1.061 0.010 . 2 . . . . . 275 LEU HB3 . 27785 1 1277 . 1 1 146 146 LEU HG H 1 1.066 0.009 . 1 . . . . . 275 LEU HG . 27785 1 1278 . 1 1 146 146 LEU HD11 H 1 0.595 0.016 . 2 . . . . . 275 LEU HD11 . 27785 1 1279 . 1 1 146 146 LEU HD12 H 1 0.595 0.016 . 2 . . . . . 275 LEU HD12 . 27785 1 1280 . 1 1 146 146 LEU HD13 H 1 0.595 0.016 . 2 . . . . . 275 LEU HD13 . 27785 1 1281 . 1 1 146 146 LEU HD21 H 1 0.769 0.014 . 2 . . . . . 275 LEU HD21 . 27785 1 1282 . 1 1 146 146 LEU HD22 H 1 0.769 0.014 . 2 . . . . . 275 LEU HD22 . 27785 1 1283 . 1 1 146 146 LEU HD23 H 1 0.769 0.014 . 2 . . . . . 275 LEU HD23 . 27785 1 1284 . 1 1 146 146 LEU C C 13 179.105 0.015 . 1 . . . . . 275 LEU C . 27785 1 1285 . 1 1 146 146 LEU CA C 13 59.083 0.083 . 1 . . . . . 275 LEU CA . 27785 1 1286 . 1 1 146 146 LEU CB C 13 40.641 0.044 . 1 . . . . . 275 LEU CB . 27785 1 1287 . 1 1 146 146 LEU CG C 13 28.494 0.077 . 1 . . . . . 275 LEU CG . 27785 1 1288 . 1 1 146 146 LEU CD1 C 13 23.965 0.081 . 2 . . . . . 275 LEU CD1 . 27785 1 1289 . 1 1 146 146 LEU CD2 C 13 26.295 0.047 . 2 . . . . . 275 LEU CD2 . 27785 1 1290 . 1 1 146 146 LEU N N 15 120.985 0.040 . 1 . . . . . 275 LEU N . 27785 1 1291 . 1 1 147 147 LYS H H 1 8.093 0.012 . 1 . . . . . 276 LYS H . 27785 1 1292 . 1 1 147 147 LYS HA H 1 4.329 0.000 . 1 . . . . . 276 LYS HA . 27785 1 1293 . 1 1 147 147 LYS HB2 H 1 1.716 0.008 . 2 . . . . . 276 LYS HB2 . 27785 1 1294 . 1 1 147 147 LYS HB3 H 1 1.788 0.072 . 2 . . . . . 276 LYS HB3 . 27785 1 1295 . 1 1 147 147 LYS HG3 H 1 1.582 0.006 . 1 . . . . . 276 LYS HG3 . 27785 1 1296 . 1 1 147 147 LYS HD3 H 1 1.643 0.000 . 1 . . . . . 276 LYS HD3 . 27785 1 1297 . 1 1 147 147 LYS HE2 H 1 3.022 0.000 . 2 . . . . . 276 LYS HE2 . 27785 1 1298 . 1 1 147 147 LYS HE3 H 1 2.998 0.024 . 2 . . . . . 276 LYS HE3 . 27785 1 1299 . 1 1 147 147 LYS C C 13 180.277 0.012 . 1 . . . . . 276 LYS C . 27785 1 1300 . 1 1 147 147 LYS CA C 13 59.974 0.043 . 1 . . . . . 276 LYS CA . 27785 1 1301 . 1 1 147 147 LYS CB C 13 32.325 0.050 . 1 . . . . . 276 LYS CB . 27785 1 1302 . 1 1 147 147 LYS N N 15 121.093 0.062 . 1 . . . . . 276 LYS N . 27785 1 1303 . 1 1 148 148 GLU H H 1 7.895 0.008 . 1 . . . . . 277 GLU H . 27785 1 1304 . 1 1 148 148 GLU HA H 1 3.945 0.022 . 1 . . . . . 277 GLU HA . 27785 1 1305 . 1 1 148 148 GLU HB2 H 1 1.849 0.003 . 2 . . . . . 277 GLU HB2 . 27785 1 1306 . 1 1 148 148 GLU HB3 H 1 2.001 0.001 . 2 . . . . . 277 GLU HB3 . 27785 1 1307 . 1 1 148 148 GLU C C 13 176.864 0.004 . 1 . . . . . 277 GLU C . 27785 1 1308 . 1 1 148 148 GLU CA C 13 58.442 0.053 . 1 . . . . . 277 GLU CA . 27785 1 1309 . 1 1 148 148 GLU CB C 13 29.227 0.146 . 1 . . . . . 277 GLU CB . 27785 1 1310 . 1 1 148 148 GLU N N 15 119.648 0.070 . 1 . . . . . 277 GLU N . 27785 1 1311 . 1 1 149 149 HIS H H 1 7.227 0.008 . 1 . . . . . 278 HIS H . 27785 1 1312 . 1 1 149 149 HIS HA H 1 4.546 0.020 . 1 . . . . . 278 HIS HA . 27785 1 1313 . 1 1 149 149 HIS HB2 H 1 3.609 0.005 . 2 . . . . . 278 HIS HB2 . 27785 1 1314 . 1 1 149 149 HIS HB3 H 1 2.436 0.006 . 2 . . . . . 278 HIS HB3 . 27785 1 1315 . 1 1 149 149 HIS C C 13 173.733 0.024 . 1 . . . . . 278 HIS C . 27785 1 1316 . 1 1 149 149 HIS CA C 13 56.083 0.045 . 1 . . . . . 278 HIS CA . 27785 1 1317 . 1 1 149 149 HIS CB C 13 28.165 0.259 . 1 . . . . . 278 HIS CB . 27785 1 1318 . 1 1 149 149 HIS N N 15 114.597 0.060 . 1 . . . . . 278 HIS N . 27785 1 1319 . 1 1 150 150 GLU H H 1 7.880 0.009 . 1 . . . . . 279 GLU H . 27785 1 1320 . 1 1 150 150 GLU HA H 1 3.885 0.016 . 1 . . . . . 279 GLU HA . 27785 1 1321 . 1 1 150 150 GLU HB2 H 1 2.319 0.005 . 2 . . . . . 279 GLU HB2 . 27785 1 1322 . 1 1 150 150 GLU HB3 H 1 2.086 0.028 . 2 . . . . . 279 GLU HB3 . 27785 1 1323 . 1 1 150 150 GLU HG2 H 1 2.173 0.016 . 2 . . . . . 279 GLU HG2 . 27785 1 1324 . 1 1 150 150 GLU HG3 H 1 2.224 0.003 . 2 . . . . . 279 GLU HG3 . 27785 1 1325 . 1 1 150 150 GLU C C 13 174.642 0.011 . 1 . . . . . 279 GLU C . 27785 1 1326 . 1 1 150 150 GLU CA C 13 57.980 0.127 . 1 . . . . . 279 GLU CA . 27785 1 1327 . 1 1 150 150 GLU CB C 13 27.202 0.093 . 1 . . . . . 279 GLU CB . 27785 1 1328 . 1 1 150 150 GLU CG C 13 36.723 0.024 . 1 . . . . . 279 GLU CG . 27785 1 1329 . 1 1 150 150 GLU N N 15 115.517 0.070 . 1 . . . . . 279 GLU N . 27785 1 1330 . 1 1 151 151 TRP H H 1 8.558 0.013 . 1 . . . . . 280 TRP H . 27785 1 1331 . 1 1 151 151 TRP HA H 1 3.204 0.010 . 1 . . . . . 280 TRP HA . 27785 1 1332 . 1 1 151 151 TRP HB2 H 1 3.578 0.015 . 2 . . . . . 280 TRP HB2 . 27785 1 1333 . 1 1 151 151 TRP HB3 H 1 3.308 0.015 . 2 . . . . . 280 TRP HB3 . 27785 1 1334 . 1 1 151 151 TRP HD1 H 1 7.141 0.007 . 1 . . . . . 280 TRP HD1 . 27785 1 1335 . 1 1 151 151 TRP HE1 H 1 10.161 0.003 . 1 . . . . . 280 TRP HE1 . 27785 1 1336 . 1 1 151 151 TRP HE3 H 1 7.419 0.007 . 1 . . . . . 280 TRP HE3 . 27785 1 1337 . 1 1 151 151 TRP HZ2 H 1 7.309 0.007 . 1 . . . . . 280 TRP HZ2 . 27785 1 1338 . 1 1 151 151 TRP HZ3 H 1 7.073 0.007 . 1 . . . . . 280 TRP HZ3 . 27785 1 1339 . 1 1 151 151 TRP HH2 H 1 6.859 0.005 . 1 . . . . . 280 TRP HH2 . 27785 1 1340 . 1 1 151 151 TRP C C 13 174.207 0.026 . 1 . . . . . 280 TRP C . 27785 1 1341 . 1 1 151 151 TRP CA C 13 59.556 0.087 . 1 . . . . . 280 TRP CA . 27785 1 1342 . 1 1 151 151 TRP CB C 13 24.869 0.117 . 1 . . . . . 280 TRP CB . 27785 1 1343 . 1 1 151 151 TRP CD1 C 13 127.265 0.000 . 1 . . . . . 280 TRP CD1 . 27785 1 1344 . 1 1 151 151 TRP CE3 C 13 119.307 0.089 . 1 . . . . . 280 TRP CE3 . 27785 1 1345 . 1 1 151 151 TRP CZ2 C 13 115.088 0.031 . 1 . . . . . 280 TRP CZ2 . 27785 1 1346 . 1 1 151 151 TRP CZ3 C 13 122.540 0.016 . 1 . . . . . 280 TRP CZ3 . 27785 1 1347 . 1 1 151 151 TRP CH2 C 13 123.903 0.019 . 1 . . . . . 280 TRP CH2 . 27785 1 1348 . 1 1 151 151 TRP N N 15 108.673 0.055 . 1 . . . . . 280 TRP N . 27785 1 1349 . 1 1 151 151 TRP NE1 N 15 128.411 0.039 . 1 . . . . . 280 TRP NE1 . 27785 1 1350 . 1 1 152 152 MET H H 1 7.524 0.004 . 1 . . . . . 281 MET H . 27785 1 1351 . 1 1 152 152 MET HA H 1 4.679 0.000 . 1 . . . . . 281 MET HA . 27785 1 1352 . 1 1 152 152 MET HB2 H 1 2.206 0.003 . 2 . . . . . 281 MET HB2 . 27785 1 1353 . 1 1 152 152 MET HB3 H 1 2.373 0.001 . 2 . . . . . 281 MET HB3 . 27785 1 1354 . 1 1 152 152 MET HG2 H 1 2.792 0.004 . 2 . . . . . 281 MET HG2 . 27785 1 1355 . 1 1 152 152 MET HG3 H 1 2.629 0.006 . 2 . . . . . 281 MET HG3 . 27785 1 1356 . 1 1 152 152 MET C C 13 175.385 0.000 . 1 . . . . . 281 MET C . 27785 1 1357 . 1 1 152 152 MET CA C 13 54.717 0.012 . 1 . . . . . 281 MET CA . 27785 1 1358 . 1 1 152 152 MET CB C 13 31.662 0.087 . 1 . . . . . 281 MET CB . 27785 1 1359 . 1 1 152 152 MET CG C 13 31.825 0.261 . 1 . . . . . 281 MET CG . 27785 1 1360 . 1 1 152 152 MET N N 15 118.164 0.053 . 1 . . . . . 281 MET N . 27785 1 1361 . 1 1 153 153 TYR HA H 1 3.688 0.009 . 1 . . . . . 282 TYR HA . 27785 1 1362 . 1 1 153 153 TYR HB2 H 1 3.156 0.019 . 2 . . . . . 282 TYR HB2 . 27785 1 1363 . 1 1 153 153 TYR HB3 H 1 3.052 0.014 . 2 . . . . . 282 TYR HB3 . 27785 1 1364 . 1 1 153 153 TYR HD1 H 1 6.965 0.014 . 3 . . . . . 282 TYR HD1 . 27785 1 1365 . 1 1 153 153 TYR HD2 H 1 6.965 0.014 . 3 . . . . . 282 TYR HD2 . 27785 1 1366 . 1 1 153 153 TYR HE1 H 1 6.674 0.004 . 3 . . . . . 282 TYR HE1 . 27785 1 1367 . 1 1 153 153 TYR HE2 H 1 6.674 0.004 . 3 . . . . . 282 TYR HE2 . 27785 1 1368 . 1 1 153 153 TYR C C 13 175.929 0.000 . 1 . . . . . 282 TYR C . 27785 1 1369 . 1 1 153 153 TYR CA C 13 63.185 0.175 . 1 . . . . . 282 TYR CA . 27785 1 1370 . 1 1 153 153 TYR CB C 13 39.449 0.141 . 1 . . . . . 282 TYR CB . 27785 1 1371 . 1 1 153 153 TYR CD1 C 13 132.661 0.003 . 3 . . . . . 282 TYR CD1 . 27785 1 1372 . 1 1 153 153 TYR CD2 C 13 132.661 0.003 . 3 . . . . . 282 TYR CD2 . 27785 1 1373 . 1 1 153 153 TYR CE1 C 13 118.358 0.022 . 3 . . . . . 282 TYR CE1 . 27785 1 1374 . 1 1 153 153 TYR CE2 C 13 118.358 0.022 . 3 . . . . . 282 TYR CE2 . 27785 1 1375 . 1 1 154 154 THR H H 1 8.690 0.007 . 1 . . . . . 283 THR H . 27785 1 1376 . 1 1 154 154 THR HA H 1 3.593 0.013 . 1 . . . . . 283 THR HA . 27785 1 1377 . 1 1 154 154 THR HB H 1 4.157 0.005 . 1 . . . . . 283 THR HB . 27785 1 1378 . 1 1 154 154 THR HG21 H 1 1.288 0.006 . 1 . . . . . 283 THR HG21 . 27785 1 1379 . 1 1 154 154 THR HG22 H 1 1.288 0.006 . 1 . . . . . 283 THR HG22 . 27785 1 1380 . 1 1 154 154 THR HG23 H 1 1.288 0.006 . 1 . . . . . 283 THR HG23 . 27785 1 1381 . 1 1 154 154 THR C C 13 176.233 0.024 . 1 . . . . . 283 THR C . 27785 1 1382 . 1 1 154 154 THR CA C 13 66.557 0.070 . 1 . . . . . 283 THR CA . 27785 1 1383 . 1 1 154 154 THR CB C 13 67.711 0.637 . 1 . . . . . 283 THR CB . 27785 1 1384 . 1 1 154 154 THR CG2 C 13 22.427 0.039 . 1 . . . . . 283 THR CG2 . 27785 1 1385 . 1 1 154 154 THR N N 15 111.241 0.080 . 1 . . . . . 283 THR N . 27785 1 1386 . 1 1 155 155 GLU H H 1 7.498 0.020 . 1 . . . . . 284 GLU H . 27785 1 1387 . 1 1 155 155 GLU HA H 1 3.902 0.000 . 1 . . . . . 284 GLU HA . 27785 1 1388 . 1 1 155 155 GLU HB2 H 1 2.031 0.000 . 1 . . . . . 284 GLU HB2 . 27785 1 1389 . 1 1 155 155 GLU HB3 H 1 2.031 0.000 . 1 . . . . . 284 GLU HB3 . 27785 1 1390 . 1 1 155 155 GLU C C 13 178.844 0.005 . 1 . . . . . 284 GLU C . 27785 1 1391 . 1 1 155 155 GLU CA C 13 59.249 0.045 . 1 . . . . . 284 GLU CA . 27785 1 1392 . 1 1 155 155 GLU CB C 13 29.794 0.062 . 1 . . . . . 284 GLU CB . 27785 1 1393 . 1 1 155 155 GLU N N 15 120.138 0.085 . 1 . . . . . 284 GLU N . 27785 1 1394 . 1 1 156 156 ALA H H 1 7.767 0.008 . 1 . . . . . 285 ALA H . 27785 1 1395 . 1 1 156 156 ALA HA H 1 2.886 0.032 . 1 . . . . . 285 ALA HA . 27785 1 1396 . 1 1 156 156 ALA HB1 H 1 0.971 0.009 . 1 . . . . . 285 ALA HB1 . 27785 1 1397 . 1 1 156 156 ALA HB2 H 1 0.971 0.009 . 1 . . . . . 285 ALA HB2 . 27785 1 1398 . 1 1 156 156 ALA HB3 H 1 0.971 0.009 . 1 . . . . . 285 ALA HB3 . 27785 1 1399 . 1 1 156 156 ALA C C 13 178.416 0.003 . 1 . . . . . 285 ALA C . 27785 1 1400 . 1 1 156 156 ALA CA C 13 54.704 0.050 . 1 . . . . . 285 ALA CA . 27785 1 1401 . 1 1 156 156 ALA CB C 13 18.584 0.070 . 1 . . . . . 285 ALA CB . 27785 1 1402 . 1 1 156 156 ALA N N 15 121.438 0.036 . 1 . . . . . 285 ALA N . 27785 1 1403 . 1 1 157 157 LEU H H 1 8.251 0.005 . 1 . . . . . 286 LEU H . 27785 1 1404 . 1 1 157 157 LEU HA H 1 3.561 0.012 . 1 . . . . . 286 LEU HA . 27785 1 1405 . 1 1 157 157 LEU HB2 H 1 1.018 0.008 . 2 . . . . . 286 LEU HB2 . 27785 1 1406 . 1 1 157 157 LEU HB3 H 1 1.605 0.005 . 2 . . . . . 286 LEU HB3 . 27785 1 1407 . 1 1 157 157 LEU HG H 1 1.447 0.010 . 1 . . . . . 286 LEU HG . 27785 1 1408 . 1 1 157 157 LEU HD11 H 1 0.886 0.004 . 2 . . . . . 286 LEU HD11 . 27785 1 1409 . 1 1 157 157 LEU HD12 H 1 0.886 0.004 . 2 . . . . . 286 LEU HD12 . 27785 1 1410 . 1 1 157 157 LEU HD13 H 1 0.886 0.004 . 2 . . . . . 286 LEU HD13 . 27785 1 1411 . 1 1 157 157 LEU HD21 H 1 0.876 0.015 . 2 . . . . . 286 LEU HD21 . 27785 1 1412 . 1 1 157 157 LEU HD22 H 1 0.876 0.015 . 2 . . . . . 286 LEU HD22 . 27785 1 1413 . 1 1 157 157 LEU HD23 H 1 0.876 0.015 . 2 . . . . . 286 LEU HD23 . 27785 1 1414 . 1 1 157 157 LEU C C 13 177.570 0.000 . 1 . . . . . 286 LEU C . 27785 1 1415 . 1 1 157 157 LEU CA C 13 58.951 0.023 . 1 . . . . . 286 LEU CA . 27785 1 1416 . 1 1 157 157 LEU CB C 13 41.903 0.104 . 1 . . . . . 286 LEU CB . 27785 1 1417 . 1 1 157 157 LEU CG C 13 27.134 0.065 . 1 . . . . . 286 LEU CG . 27785 1 1418 . 1 1 157 157 LEU CD1 C 13 25.240 0.086 . 2 . . . . . 286 LEU CD1 . 27785 1 1419 . 1 1 157 157 LEU CD2 C 13 25.170 0.086 . 2 . . . . . 286 LEU CD2 . 27785 1 1420 . 1 1 157 157 LEU N N 15 118.605 0.036 . 1 . . . . . 286 LEU N . 27785 1 1421 . 1 1 158 158 GLU HA H 1 3.802 0.000 . 1 . . . . . 287 GLU HA . 27785 1 1422 . 1 1 158 158 GLU HB2 H 1 1.928 0.000 . 1 . . . . . 287 GLU HB2 . 27785 1 1423 . 1 1 158 158 GLU HB3 H 1 1.928 0.000 . 1 . . . . . 287 GLU HB3 . 27785 1 1424 . 1 1 158 158 GLU CA C 13 59.134 0.057 . 1 . . . . . 287 GLU CA . 27785 1 1425 . 1 1 158 158 GLU CB C 13 29.403 0.028 . 1 . . . . . 287 GLU CB . 27785 1 1426 . 1 1 159 159 SER H H 1 7.369 0.014 . 1 . . . . . 288 SER H . 27785 1 1427 . 1 1 159 159 SER HA H 1 4.150 0.029 . 1 . . . . . 288 SER HA . 27785 1 1428 . 1 1 159 159 SER HB2 H 1 3.584 0.029 . 2 . . . . . 288 SER HB2 . 27785 1 1429 . 1 1 159 159 SER HB3 H 1 3.705 0.028 . 2 . . . . . 288 SER HB3 . 27785 1 1430 . 1 1 159 159 SER C C 13 175.648 0.000 . 1 . . . . . 288 SER C . 27785 1 1431 . 1 1 159 159 SER CA C 13 61.790 0.744 . 1 . . . . . 288 SER CA . 27785 1 1432 . 1 1 159 159 SER CB C 13 62.823 0.123 . 1 . . . . . 288 SER CB . 27785 1 1433 . 1 1 159 159 SER N N 15 114.050 0.039 . 1 . . . . . 288 SER N . 27785 1 1434 . 1 1 160 160 LEU H H 1 7.289 0.008 . 1 . . . . . 289 LEU H . 27785 1 1435 . 1 1 160 160 LEU HA H 1 3.945 0.018 . 1 . . . . . 289 LEU HA . 27785 1 1436 . 1 1 160 160 LEU HB2 H 1 1.081 0.040 . 2 . . . . . 289 LEU HB2 . 27785 1 1437 . 1 1 160 160 LEU HB3 H 1 0.264 0.012 . 2 . . . . . 289 LEU HB3 . 27785 1 1438 . 1 1 160 160 LEU HG H 1 1.171 0.018 . 1 . . . . . 289 LEU HG . 27785 1 1439 . 1 1 160 160 LEU HD11 H 1 0.113 0.018 . 2 . . . . . 289 LEU HD11 . 27785 1 1440 . 1 1 160 160 LEU HD12 H 1 0.113 0.018 . 2 . . . . . 289 LEU HD12 . 27785 1 1441 . 1 1 160 160 LEU HD13 H 1 0.113 0.018 . 2 . . . . . 289 LEU HD13 . 27785 1 1442 . 1 1 160 160 LEU HD21 H 1 -0.035 0.015 . 2 . . . . . 289 LEU HD21 . 27785 1 1443 . 1 1 160 160 LEU HD22 H 1 -0.035 0.015 . 2 . . . . . 289 LEU HD22 . 27785 1 1444 . 1 1 160 160 LEU HD23 H 1 -0.035 0.015 . 2 . . . . . 289 LEU HD23 . 27785 1 1445 . 1 1 160 160 LEU C C 13 178.051 0.018 . 1 . . . . . 289 LEU C . 27785 1 1446 . 1 1 160 160 LEU CA C 13 56.017 0.065 . 1 . . . . . 289 LEU CA . 27785 1 1447 . 1 1 160 160 LEU CB C 13 41.723 0.068 . 1 . . . . . 289 LEU CB . 27785 1 1448 . 1 1 160 160 LEU CG C 13 26.282 0.017 . 1 . . . . . 289 LEU CG . 27785 1 1449 . 1 1 160 160 LEU CD1 C 13 22.453 0.151 . 2 . . . . . 289 LEU CD1 . 27785 1 1450 . 1 1 160 160 LEU CD2 C 13 25.875 0.126 . 2 . . . . . 289 LEU CD2 . 27785 1 1451 . 1 1 160 160 LEU N N 15 121.149 0.028 . 1 . . . . . 289 LEU N . 27785 1 1452 . 1 1 161 161 LYS H H 1 7.641 0.009 . 1 . . . . . 290 LYS H . 27785 1 1453 . 1 1 161 161 LYS HA H 1 4.180 0.016 . 1 . . . . . 290 LYS HA . 27785 1 1454 . 1 1 161 161 LYS HB2 H 1 1.873 0.005 . 1 . . . . . 290 LYS HB2 . 27785 1 1455 . 1 1 161 161 LYS HB3 H 1 1.873 0.005 . 1 . . . . . 290 LYS HB3 . 27785 1 1456 . 1 1 161 161 LYS HG2 H 1 1.670 0.019 . 2 . . . . . 290 LYS HG2 . 27785 1 1457 . 1 1 161 161 LYS HG3 H 1 1.511 0.010 . 2 . . . . . 290 LYS HG3 . 27785 1 1458 . 1 1 161 161 LYS HD2 H 1 1.685 0.002 . 1 . . . . . 290 LYS HD2 . 27785 1 1459 . 1 1 161 161 LYS HD3 H 1 1.685 0.002 . 1 . . . . . 290 LYS HD3 . 27785 1 1460 . 1 1 161 161 LYS HE2 H 1 2.885 0.001 . 1 . . . . . 290 LYS HE2 . 27785 1 1461 . 1 1 161 161 LYS HE3 H 1 2.885 0.001 . 1 . . . . . 290 LYS HE3 . 27785 1 1462 . 1 1 161 161 LYS C C 13 177.603 0.013 . 1 . . . . . 290 LYS C . 27785 1 1463 . 1 1 161 161 LYS CA C 13 58.589 0.044 . 1 . . . . . 290 LYS CA . 27785 1 1464 . 1 1 161 161 LYS CB C 13 32.983 0.037 . 1 . . . . . 290 LYS CB . 27785 1 1465 . 1 1 161 161 LYS CG C 13 25.484 0.259 . 1 . . . . . 290 LYS CG . 27785 1 1466 . 1 1 161 161 LYS CD C 13 29.573 0.044 . 1 . . . . . 290 LYS CD . 27785 1 1467 . 1 1 161 161 LYS CE C 13 42.067 0.067 . 1 . . . . . 290 LYS CE . 27785 1 1468 . 1 1 161 161 LYS N N 15 118.451 0.015 . 1 . . . . . 290 LYS N . 27785 1 1469 . 1 1 162 162 VAL H H 1 7.421 0.013 . 1 . . . . . 291 VAL H . 27785 1 1470 . 1 1 162 162 VAL HA H 1 3.990 0.016 . 1 . . . . . 291 VAL HA . 27785 1 1471 . 1 1 162 162 VAL HB H 1 1.994 0.005 . 1 . . . . . 291 VAL HB . 27785 1 1472 . 1 1 162 162 VAL HG11 H 1 0.835 0.017 . 2 . . . . . 291 VAL HG11 . 27785 1 1473 . 1 1 162 162 VAL HG12 H 1 0.835 0.017 . 2 . . . . . 291 VAL HG12 . 27785 1 1474 . 1 1 162 162 VAL HG13 H 1 0.835 0.017 . 2 . . . . . 291 VAL HG13 . 27785 1 1475 . 1 1 162 162 VAL HG21 H 1 0.752 0.005 . 2 . . . . . 291 VAL HG21 . 27785 1 1476 . 1 1 162 162 VAL HG22 H 1 0.752 0.005 . 2 . . . . . 291 VAL HG22 . 27785 1 1477 . 1 1 162 162 VAL HG23 H 1 0.752 0.005 . 2 . . . . . 291 VAL HG23 . 27785 1 1478 . 1 1 162 162 VAL C C 13 176.477 0.021 . 1 . . . . . 291 VAL C . 27785 1 1479 . 1 1 162 162 VAL CA C 13 63.348 0.087 . 1 . . . . . 291 VAL CA . 27785 1 1480 . 1 1 162 162 VAL CB C 13 32.152 0.106 . 1 . . . . . 291 VAL CB . 27785 1 1481 . 1 1 162 162 VAL CG1 C 13 20.631 0.133 . 2 . . . . . 291 VAL CG1 . 27785 1 1482 . 1 1 162 162 VAL CG2 C 13 20.920 0.076 . 2 . . . . . 291 VAL CG2 . 27785 1 1483 . 1 1 162 162 VAL N N 15 116.196 0.069 . 1 . . . . . 291 VAL N . 27785 1 1484 . 1 1 163 163 PHE H H 1 7.903 0.011 . 1 . . . . . 292 PHE H . 27785 1 1485 . 1 1 163 163 PHE HA H 1 4.592 0.018 . 1 . . . . . 292 PHE HA . 27785 1 1486 . 1 1 163 163 PHE HB2 H 1 3.058 0.013 . 2 . . . . . 292 PHE HB2 . 27785 1 1487 . 1 1 163 163 PHE HB3 H 1 3.244 0.012 . 2 . . . . . 292 PHE HB3 . 27785 1 1488 . 1 1 163 163 PHE HD1 H 1 7.295 0.001 . 3 . . . . . 292 PHE HD1 . 27785 1 1489 . 1 1 163 163 PHE HD2 H 1 7.295 0.001 . 3 . . . . . 292 PHE HD2 . 27785 1 1490 . 1 1 163 163 PHE C C 13 175.654 0.013 . 1 . . . . . 292 PHE C . 27785 1 1491 . 1 1 163 163 PHE CA C 13 58.271 0.070 . 1 . . . . . 292 PHE CA . 27785 1 1492 . 1 1 163 163 PHE CB C 13 39.476 0.114 . 1 . . . . . 292 PHE CB . 27785 1 1493 . 1 1 163 163 PHE N N 15 121.028 0.047 . 1 . . . . . 292 PHE N . 27785 1 1494 . 1 1 164 164 ALA H H 1 8.041 0.008 . 1 . . . . . 293 ALA H . 27785 1 1495 . 1 1 164 164 ALA HA H 1 4.363 0.018 . 1 . . . . . 293 ALA HA . 27785 1 1496 . 1 1 164 164 ALA HB1 H 1 1.443 0.009 . 1 . . . . . 293 ALA HB1 . 27785 1 1497 . 1 1 164 164 ALA HB2 H 1 1.443 0.009 . 1 . . . . . 293 ALA HB2 . 27785 1 1498 . 1 1 164 164 ALA HB3 H 1 1.443 0.009 . 1 . . . . . 293 ALA HB3 . 27785 1 1499 . 1 1 164 164 ALA C C 13 177.105 0.002 . 1 . . . . . 293 ALA C . 27785 1 1500 . 1 1 164 164 ALA CA C 13 52.577 0.080 . 1 . . . . . 293 ALA CA . 27785 1 1501 . 1 1 164 164 ALA CB C 13 19.874 0.124 . 1 . . . . . 293 ALA CB . 27785 1 1502 . 1 1 164 164 ALA N N 15 124.180 0.056 . 1 . . . . . 293 ALA N . 27785 1 1503 . 1 1 165 165 GLU H H 1 8.204 0.008 . 1 . . . . . 294 GLU H . 27785 1 1504 . 1 1 165 165 GLU HA H 1 4.339 0.007 . 1 . . . . . 294 GLU HA . 27785 1 1505 . 1 1 165 165 GLU HB2 H 1 2.133 0.000 . 2 . . . . . 294 GLU HB2 . 27785 1 1506 . 1 1 165 165 GLU HB3 H 1 1.955 0.000 . 2 . . . . . 294 GLU HB3 . 27785 1 1507 . 1 1 165 165 GLU HG2 H 1 2.337 0.000 . 1 . . . . . 294 GLU HG2 . 27785 1 1508 . 1 1 165 165 GLU HG3 H 1 2.337 0.000 . 1 . . . . . 294 GLU HG3 . 27785 1 1509 . 1 1 165 165 GLU C C 13 175.396 0.000 . 1 . . . . . 294 GLU C . 27785 1 1510 . 1 1 165 165 GLU CA C 13 56.499 0.030 . 1 . . . . . 294 GLU CA . 27785 1 1511 . 1 1 165 165 GLU CB C 13 30.807 0.000 . 1 . . . . . 294 GLU CB . 27785 1 1512 . 1 1 165 165 GLU N N 15 119.897 0.049 . 1 . . . . . 294 GLU N . 27785 1 1513 . 1 1 166 166 ASP H H 1 7.987 0.004 . 1 . . . . . 295 ASP H . 27785 1 1514 . 1 1 166 166 ASP HA H 1 4.364 0.019 . 1 . . . . . 295 ASP HA . 27785 1 1515 . 1 1 166 166 ASP HB2 H 1 2.645 0.018 . 2 . . . . . 295 ASP HB2 . 27785 1 1516 . 1 1 166 166 ASP HB3 H 1 2.543 0.009 . 2 . . . . . 295 ASP HB3 . 27785 1 1517 . 1 1 166 166 ASP C C 13 180.936 0.000 . 1 . . . . . 295 ASP C . 27785 1 1518 . 1 1 166 166 ASP CA C 13 56.025 0.074 . 1 . . . . . 295 ASP CA . 27785 1 1519 . 1 1 166 166 ASP CB C 13 42.403 0.000 . 1 . . . . . 295 ASP CB . 27785 1 1520 . 1 1 166 166 ASP N N 15 126.186 0.007 . 1 . . . . . 295 ASP N . 27785 1 stop_ save_