data_34607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34607 _Entry.Title ; periplasmic domain of Vibrio cholerae ToxR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-24 _Entry.Accession_date 2021-02-24 _Entry.Last_release_date 2021-03-29 _Entry.Original_release_date 2021-03-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Gubensaek N. . . . 34607 2 G. Wagner G. E. . . 34607 3 K. Zangger K. . . . 34607 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 34607 'Vibrio cholerae Trancription factor sensory domain' . 34607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 34607 '15N chemical shifts' 64 34607 '1H chemical shifts' 435 34607 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 . . 2022-06-09 2021-02-24 update BMRB 'update entry citation' 34607 1 . . 2021-04-05 2021-02-24 original author 'original release' 34607 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NN6 'BMRB Entry Tracking System' 34607 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34607 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33368680 _Citation.DOI 10.1111/mmi.14673 _Citation.Full_citation . _Citation.Title ; The periplasmic domains of Vibriocholerae ToxR and ToxS are forming a strong heterodimeric complex independent on the redox state of ToxR cysteines. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 6 _Citation.Journal_ASTM MOMIEE _Citation.Journal_ISSN 1365-2958 _Citation.Journal_CSD 2007 _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 1277 _Citation.Page_last 1291 _Citation.Year 2021 _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 N. Gubensak N. . . . 34607 1 2 G. Wagner G. E. . . 34607 1 3 E. Schrank E. . . . 34607 1 4 F. Falsone F. S. . . 34607 1 5 T. Berger T. M.I. . . 34607 1 6 T. Pavkov-Keller T. . . . 34607 1 7 J. Reidl J. . . . 34607 1 8 K. Zangger K. . . . 34607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34607 _Assembly.ID 1 _Assembly.Name ToxR _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSPSQTSFKP LTVVDGVAVNMPNNHPDLSN WLPSIELCVKKYNEKHTGGL KPIEVIATGGQNNQLTLNYI HSPEVSGENITLRIVANPND AIKVCE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11649.107 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 189 MET . 34607 1 2 190 ARG . 34607 1 3 191 GLY . 34607 1 4 192 SER . 34607 1 5 193 HIS . 34607 1 6 194 HIS . 34607 1 7 195 HIS . 34607 1 8 196 HIS . 34607 1 9 197 HIS . 34607 1 10 198 HIS . 34607 1 11 199 GLY . 34607 1 12 200 SER . 34607 1 13 201 PRO . 34607 1 14 202 SER . 34607 1 15 203 GLN . 34607 1 16 204 THR . 34607 1 17 205 SER . 34607 1 18 206 PHE . 34607 1 19 207 LYS . 34607 1 20 208 PRO . 34607 1 21 209 LEU . 34607 1 22 210 THR . 34607 1 23 211 VAL . 34607 1 24 212 VAL . 34607 1 25 213 ASP . 34607 1 26 214 GLY . 34607 1 27 215 VAL . 34607 1 28 216 ALA . 34607 1 29 217 VAL . 34607 1 30 218 ASN . 34607 1 31 219 MET . 34607 1 32 220 PRO . 34607 1 33 221 ASN . 34607 1 34 222 ASN . 34607 1 35 223 HIS . 34607 1 36 224 PRO . 34607 1 37 225 ASP . 34607 1 38 226 LEU . 34607 1 39 227 SER . 34607 1 40 228 ASN . 34607 1 41 229 TRP . 34607 1 42 230 LEU . 34607 1 43 231 PRO . 34607 1 44 232 SER . 34607 1 45 233 ILE . 34607 1 46 234 GLU . 34607 1 47 235 LEU . 34607 1 48 236 CYS . 34607 1 49 237 VAL . 34607 1 50 238 LYS . 34607 1 51 239 LYS . 34607 1 52 240 TYR . 34607 1 53 241 ASN . 34607 1 54 242 GLU . 34607 1 55 243 LYS . 34607 1 56 244 HIS . 34607 1 57 245 THR . 34607 1 58 246 GLY . 34607 1 59 247 GLY . 34607 1 60 248 LEU . 34607 1 61 249 LYS . 34607 1 62 250 PRO . 34607 1 63 251 ILE . 34607 1 64 252 GLU . 34607 1 65 253 VAL . 34607 1 66 254 ILE . 34607 1 67 255 ALA . 34607 1 68 256 THR . 34607 1 69 257 GLY . 34607 1 70 258 GLY . 34607 1 71 259 GLN . 34607 1 72 260 ASN . 34607 1 73 261 ASN . 34607 1 74 262 GLN . 34607 1 75 263 LEU . 34607 1 76 264 THR . 34607 1 77 265 LEU . 34607 1 78 266 ASN . 34607 1 79 267 TYR . 34607 1 80 268 ILE . 34607 1 81 269 HIS . 34607 1 82 270 SER . 34607 1 83 271 PRO . 34607 1 84 272 GLU . 34607 1 85 273 VAL . 34607 1 86 274 SER . 34607 1 87 275 GLY . 34607 1 88 276 GLU . 34607 1 89 277 ASN . 34607 1 90 278 ILE . 34607 1 91 279 THR . 34607 1 92 280 LEU . 34607 1 93 281 ARG . 34607 1 94 282 ILE . 34607 1 95 283 VAL . 34607 1 96 284 ALA . 34607 1 97 285 ASN . 34607 1 98 286 PRO . 34607 1 99 287 ASN . 34607 1 100 288 ASP . 34607 1 101 289 ALA . 34607 1 102 290 ILE . 34607 1 103 291 LYS . 34607 1 104 292 VAL . 34607 1 105 293 CYS . 34607 1 106 294 GLU . 34607 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 34607 1 . ARG 2 2 34607 1 . GLY 3 3 34607 1 . SER 4 4 34607 1 . HIS 5 5 34607 1 . HIS 6 6 34607 1 . HIS 7 7 34607 1 . HIS 8 8 34607 1 . HIS 9 9 34607 1 . HIS 10 10 34607 1 . GLY 11 11 34607 1 . SER 12 12 34607 1 . PRO 13 13 34607 1 . SER 14 14 34607 1 . GLN 15 15 34607 1 . THR 16 16 34607 1 . SER 17 17 34607 1 . PHE 18 18 34607 1 . LYS 19 19 34607 1 . PRO 20 20 34607 1 . LEU 21 21 34607 1 . THR 22 22 34607 1 . VAL 23 23 34607 1 . VAL 24 24 34607 1 . ASP 25 25 34607 1 . GLY 26 26 34607 1 . VAL 27 27 34607 1 . ALA 28 28 34607 1 . VAL 29 29 34607 1 . ASN 30 30 34607 1 . MET 31 31 34607 1 . PRO 32 32 34607 1 . ASN 33 33 34607 1 . ASN 34 34 34607 1 . HIS 35 35 34607 1 . PRO 36 36 34607 1 . ASP 37 37 34607 1 . LEU 38 38 34607 1 . SER 39 39 34607 1 . ASN 40 40 34607 1 . TRP 41 41 34607 1 . LEU 42 42 34607 1 . PRO 43 43 34607 1 . SER 44 44 34607 1 . ILE 45 45 34607 1 . GLU 46 46 34607 1 . LEU 47 47 34607 1 . CYS 48 48 34607 1 . VAL 49 49 34607 1 . LYS 50 50 34607 1 . LYS 51 51 34607 1 . TYR 52 52 34607 1 . ASN 53 53 34607 1 . GLU 54 54 34607 1 . LYS 55 55 34607 1 . HIS 56 56 34607 1 . THR 57 57 34607 1 . GLY 58 58 34607 1 . GLY 59 59 34607 1 . LEU 60 60 34607 1 . LYS 61 61 34607 1 . PRO 62 62 34607 1 . ILE 63 63 34607 1 . GLU 64 64 34607 1 . VAL 65 65 34607 1 . ILE 66 66 34607 1 . ALA 67 67 34607 1 . THR 68 68 34607 1 . GLY 69 69 34607 1 . GLY 70 70 34607 1 . GLN 71 71 34607 1 . ASN 72 72 34607 1 . ASN 73 73 34607 1 . GLN 74 74 34607 1 . LEU 75 75 34607 1 . THR 76 76 34607 1 . LEU 77 77 34607 1 . ASN 78 78 34607 1 . TYR 79 79 34607 1 . ILE 80 80 34607 1 . HIS 81 81 34607 1 . SER 82 82 34607 1 . PRO 83 83 34607 1 . GLU 84 84 34607 1 . VAL 85 85 34607 1 . SER 86 86 34607 1 . GLY 87 87 34607 1 . GLU 88 88 34607 1 . ASN 89 89 34607 1 . ILE 90 90 34607 1 . THR 91 91 34607 1 . LEU 92 92 34607 1 . ARG 93 93 34607 1 . ILE 94 94 34607 1 . VAL 95 95 34607 1 . ALA 96 96 34607 1 . ASN 97 97 34607 1 . PRO 98 98 34607 1 . ASN 99 99 34607 1 . ASP 100 100 34607 1 . ALA 101 101 34607 1 . ILE 102 102 34607 1 . LYS 103 103 34607 1 . VAL 104 104 34607 1 . CYS 105 105 34607 1 . GLU 106 106 34607 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 34607 _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 $entity_1 . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . toxR . 34607 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 34607 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34607 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-13C; U-15N] ToxRp, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ToxRp '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 34607 1 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 34607 _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' 50 . mM 34607 1 pH 6.5 . pH 34607 1 pressure 1 . bar 34607 1 temperature 298 . K 34607 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34607 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 34607 1 'Guntert, Mumenthaler and Wuthrich' . . 34607 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 34607 1 refinement . 34607 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34607 _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' . . 34607 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34607 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34607 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _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' . . 34607 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34607 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34607 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34607 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34607 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34607 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34607 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 34607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 11 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34607 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34607 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34607 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34607 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34607 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34607 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34607 1 2 '2D 1H-13C HSQC' . . . 34607 1 3 '3D HCCH-TOCSY' . . . 34607 1 4 '3D HNCA' . . . 34607 1 5 '3D HNCACB' . . . 34607 1 6 '3D 1H-13C NOESY aromatic' . . . 34607 1 7 '3D 1H-13C NOESY' . . . 34607 1 8 '3D H(CCO)NH' . . . 34607 1 9 '3D H(CCO)NH' . . . 34607 1 10 '3D HN(CO)CA' . . . 34607 1 11 '3D HNCACO' . . . 34607 1 12 '3D HNCO' . . . 34607 1 13 '3D 1H-15N NOESY' . . . 34607 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 13 13 PRO HA H 1 4.412 0.007 . 1 . . . . A 201 PRO HA . 34607 1 2 . 1 . 1 13 13 PRO HB2 H 1 2.245 0.005 . 2 . . . . A 201 PRO HB2 . 34607 1 3 . 1 . 1 13 13 PRO HB3 H 1 1.899 0.001 . 2 . . . . A 201 PRO HB3 . 34607 1 4 . 1 . 1 13 13 PRO HG2 H 1 1.954 0.000 . 2 . . . . A 201 PRO HG2 . 34607 1 5 . 1 . 1 13 13 PRO HG3 H 1 1.983 0.000 . 2 . . . . A 201 PRO HG3 . 34607 1 6 . 1 . 1 13 13 PRO HD2 H 1 3.688 0.003 . 2 . . . . A 201 PRO HD2 . 34607 1 7 . 1 . 1 13 13 PRO HD3 H 1 3.779 0.004 . 2 . . . . A 201 PRO HD3 . 34607 1 8 . 1 . 1 13 13 PRO CA C 13 60.978 0.000 . 1 . . . . A 201 PRO CA . 34607 1 9 . 1 . 1 13 13 PRO CB C 13 29.488 0.011 . 1 . . . . A 201 PRO CB . 34607 1 10 . 1 . 1 13 13 PRO CG C 13 24.788 0.046 . 1 . . . . A 201 PRO CG . 34607 1 11 . 1 . 1 13 13 PRO CD C 13 48.160 0.038 . 1 . . . . A 201 PRO CD . 34607 1 12 . 1 . 1 14 14 SER H H 1 8.293 0.001 . 1 . . . . A 202 SER H . 34607 1 13 . 1 . 1 14 14 SER HA H 1 4.357 0.008 . 1 . . . . A 202 SER HA . 34607 1 14 . 1 . 1 14 14 SER HB2 H 1 3.803 0.000 . 2 . . . . A 202 SER HB2 . 34607 1 15 . 1 . 1 14 14 SER HB3 H 1 3.832 0.000 . 2 . . . . A 202 SER HB3 . 34607 1 16 . 1 . 1 14 14 SER CA C 13 55.858 0.047 . 1 . . . . A 202 SER CA . 34607 1 17 . 1 . 1 14 14 SER CB C 13 61.176 0.000 . 1 . . . . A 202 SER CB . 34607 1 18 . 1 . 1 14 14 SER N N 15 115.548 0.017 . 1 . . . . A 202 SER N . 34607 1 19 . 1 . 1 15 15 GLN H H 1 8.306 0.000 . 1 . . . . A 203 GLN H . 34607 1 20 . 1 . 1 15 15 GLN HA H 1 4.376 0.008 . 1 . . . . A 203 GLN HA . 34607 1 21 . 1 . 1 15 15 GLN HB2 H 1 2.097 0.007 . 2 . . . . A 203 GLN HB2 . 34607 1 22 . 1 . 1 15 15 GLN HB3 H 1 1.960 0.007 . 2 . . . . A 203 GLN HB3 . 34607 1 23 . 1 . 1 15 15 GLN HG2 H 1 2.313 0.007 . 2 . . . . A 203 GLN HG2 . 34607 1 24 . 1 . 1 15 15 GLN HG3 H 1 2.302 0.000 . 2 . . . . A 203 GLN HG3 . 34607 1 25 . 1 . 1 15 15 GLN CA C 13 53.329 0.013 . 1 . . . . A 203 GLN CA . 34607 1 26 . 1 . 1 15 15 GLN CB C 13 26.756 0.023 . 1 . . . . A 203 GLN CB . 34607 1 27 . 1 . 1 15 15 GLN CG C 13 31.195 0.000 . 1 . . . . A 203 GLN CG . 34607 1 28 . 1 . 1 15 15 GLN N N 15 122.112 0.000 . 1 . . . . A 203 GLN N . 34607 1 29 . 1 . 1 16 16 THR H H 1 8.083 0.001 . 1 . . . . A 204 THR H . 34607 1 30 . 1 . 1 16 16 THR HA H 1 4.319 0.007 . 1 . . . . A 204 THR HA . 34607 1 31 . 1 . 1 16 16 THR HB H 1 4.137 0.005 . 1 . . . . A 204 THR HB . 34607 1 32 . 1 . 1 16 16 THR HG21 H 1 1.049 0.006 . 1 . . . . A 204 THR HG21 . 34607 1 33 . 1 . 1 16 16 THR HG22 H 1 1.049 0.006 . 1 . . . . A 204 THR HG22 . 34607 1 34 . 1 . 1 16 16 THR HG23 H 1 1.049 0.006 . 1 . . . . A 204 THR HG23 . 34607 1 35 . 1 . 1 16 16 THR CA C 13 59.101 0.005 . 1 . . . . A 204 THR CA . 34607 1 36 . 1 . 1 16 16 THR CB C 13 67.109 0.009 . 1 . . . . A 204 THR CB . 34607 1 37 . 1 . 1 16 16 THR CG2 C 13 18.925 0.017 . 1 . . . . A 204 THR CG2 . 34607 1 38 . 1 . 1 16 16 THR N N 15 114.744 0.010 . 1 . . . . A 204 THR N . 34607 1 39 . 1 . 1 17 17 SER H H 1 8.077 0.001 . 1 . . . . A 205 SER H . 34607 1 40 . 1 . 1 17 17 SER HA H 1 4.420 0.006 . 1 . . . . A 205 SER HA . 34607 1 41 . 1 . 1 17 17 SER HB2 H 1 3.669 0.004 . 1 . . . . A 205 SER HB2 . 34607 1 42 . 1 . 1 17 17 SER CA C 13 55.724 0.007 . 1 . . . . A 205 SER CA . 34607 1 43 . 1 . 1 17 17 SER CB C 13 61.381 0.029 . 1 . . . . A 205 SER CB . 34607 1 44 . 1 . 1 17 17 SER N N 15 117.911 0.002 . 1 . . . . A 205 SER N . 34607 1 45 . 1 . 1 18 18 PHE H H 1 8.246 0.002 . 1 . . . . A 206 PHE H . 34607 1 46 . 1 . 1 18 18 PHE HA H 1 4.965 0.007 . 1 . . . . A 206 PHE HA . 34607 1 47 . 1 . 1 18 18 PHE HB2 H 1 2.707 0.007 . 2 . . . . A 206 PHE HB2 . 34607 1 48 . 1 . 1 18 18 PHE HB3 H 1 2.775 0.000 . 2 . . . . A 206 PHE HB3 . 34607 1 49 . 1 . 1 18 18 PHE HD1 H 1 6.844 0.004 . 1 . . . . A 206 PHE HD1 . 34607 1 50 . 1 . 1 18 18 PHE HD2 H 1 6.844 0.004 . 1 . . . . A 206 PHE HD2 . 34607 1 51 . 1 . 1 18 18 PHE HE1 H 1 7.146 0.003 . 1 . . . . A 206 PHE HE1 . 34607 1 52 . 1 . 1 18 18 PHE HE2 H 1 7.146 0.003 . 1 . . . . A 206 PHE HE2 . 34607 1 53 . 1 . 1 18 18 PHE CA C 13 54.410 0.058 . 1 . . . . A 206 PHE CA . 34607 1 54 . 1 . 1 18 18 PHE CB C 13 39.585 0.008 . 1 . . . . A 206 PHE CB . 34607 1 55 . 1 . 1 18 18 PHE CD1 C 13 131.090 0.080 . 1 . . . . A 206 PHE CD1 . 34607 1 56 . 1 . 1 18 18 PHE CD2 C 13 131.090 0.080 . 1 . . . . A 206 PHE CD2 . 34607 1 57 . 1 . 1 18 18 PHE CE1 C 13 131.034 0.000 . 1 . . . . A 206 PHE CE1 . 34607 1 58 . 1 . 1 18 18 PHE CE2 C 13 131.034 0.000 . 1 . . . . A 206 PHE CE2 . 34607 1 59 . 1 . 1 18 18 PHE N N 15 120.680 0.014 . 1 . . . . A 206 PHE N . 34607 1 60 . 1 . 1 19 19 LYS H H 1 9.412 0.005 . 1 . . . . A 207 LYS H . 34607 1 61 . 1 . 1 19 19 LYS HA H 1 4.951 0.001 . 1 . . . . A 207 LYS HA . 34607 1 62 . 1 . 1 19 19 LYS HB2 H 1 1.789 0.001 . 1 . . . . A 207 LYS HB2 . 34607 1 63 . 1 . 1 19 19 LYS HG2 H 1 1.309 0.002 . 1 . . . . A 207 LYS HG2 . 34607 1 64 . 1 . 1 19 19 LYS HD2 H 1 1.745 0.003 . 1 . . . . A 207 LYS HD2 . 34607 1 65 . 1 . 1 19 19 LYS HE2 H 1 3.068 0.005 . 1 . . . . A 207 LYS HE2 . 34607 1 66 . 1 . 1 19 19 LYS CA C 13 49.989 0.009 . 1 . . . . A 207 LYS CA . 34607 1 67 . 1 . 1 19 19 LYS CB C 13 31.879 0.000 . 1 . . . . A 207 LYS CB . 34607 1 68 . 1 . 1 19 19 LYS CG C 13 21.355 0.040 . 1 . . . . A 207 LYS CG . 34607 1 69 . 1 . 1 19 19 LYS CE C 13 39.483 0.005 . 1 . . . . A 207 LYS CE . 34607 1 70 . 1 . 1 19 19 LYS N N 15 121.025 0.007 . 1 . . . . A 207 LYS N . 34607 1 71 . 1 . 1 20 20 PRO HA H 1 5.093 0.007 . 1 . . . . A 208 PRO HA . 34607 1 72 . 1 . 1 20 20 PRO HB2 H 1 2.263 0.000 . 2 . . . . A 208 PRO HB2 . 34607 1 73 . 1 . 1 20 20 PRO HB3 H 1 1.811 0.000 . 2 . . . . A 208 PRO HB3 . 34607 1 74 . 1 . 1 20 20 PRO HG2 H 1 2.083 0.000 . 2 . . . . A 208 PRO HG2 . 34607 1 75 . 1 . 1 20 20 PRO HG3 H 1 1.961 0.000 . 2 . . . . A 208 PRO HG3 . 34607 1 76 . 1 . 1 20 20 PRO HD2 H 1 3.760 0.000 . 2 . . . . A 208 PRO HD2 . 34607 1 77 . 1 . 1 20 20 PRO HD3 H 1 3.683 0.001 . 2 . . . . A 208 PRO HD3 . 34607 1 78 . 1 . 1 20 20 PRO CA C 13 60.521 0.004 . 1 . . . . A 208 PRO CA . 34607 1 79 . 1 . 1 20 20 PRO CB C 13 29.934 0.004 . 1 . . . . A 208 PRO CB . 34607 1 80 . 1 . 1 20 20 PRO CG C 13 24.715 0.014 . 1 . . . . A 208 PRO CG . 34607 1 81 . 1 . 1 20 20 PRO CD C 13 48.205 0.013 . 1 . . . . A 208 PRO CD . 34607 1 82 . 1 . 1 21 21 LEU H H 1 9.037 0.003 . 1 . . . . A 209 LEU H . 34607 1 83 . 1 . 1 21 21 LEU HA H 1 4.602 0.006 . 1 . . . . A 209 LEU HA . 34607 1 84 . 1 . 1 21 21 LEU HB2 H 1 1.249 0.001 . 2 . . . . A 209 LEU HB2 . 34607 1 85 . 1 . 1 21 21 LEU HB3 H 1 1.541 0.001 . 2 . . . . A 209 LEU HB3 . 34607 1 86 . 1 . 1 21 21 LEU HG H 1 1.315 0.000 . 1 . . . . A 209 LEU HG . 34607 1 87 . 1 . 1 21 21 LEU HD11 H 1 0.697 0.001 . 2 . . . . A 209 LEU HD11 . 34607 1 88 . 1 . 1 21 21 LEU HD12 H 1 0.697 0.001 . 2 . . . . A 209 LEU HD12 . 34607 1 89 . 1 . 1 21 21 LEU HD13 H 1 0.697 0.001 . 2 . . . . A 209 LEU HD13 . 34607 1 90 . 1 . 1 21 21 LEU HD21 H 1 0.868 0.000 . 2 . . . . A 209 LEU HD21 . 34607 1 91 . 1 . 1 21 21 LEU HD22 H 1 0.868 0.000 . 2 . . . . A 209 LEU HD22 . 34607 1 92 . 1 . 1 21 21 LEU HD23 H 1 0.868 0.000 . 2 . . . . A 209 LEU HD23 . 34607 1 93 . 1 . 1 21 21 LEU CB C 13 41.085 0.013 . 1 . . . . A 209 LEU CB . 34607 1 94 . 1 . 1 21 21 LEU CG C 13 25.073 0.000 . 1 . . . . A 209 LEU CG . 34607 1 95 . 1 . 1 21 21 LEU CD1 C 13 23.293 0.030 . 2 . . . . A 209 LEU CD1 . 34607 1 96 . 1 . 1 21 21 LEU CD2 C 13 20.719 0.041 . 2 . . . . A 209 LEU CD2 . 34607 1 97 . 1 . 1 21 21 LEU N N 15 123.009 0.006 . 1 . . . . A 209 LEU N . 34607 1 98 . 1 . 1 22 22 THR H H 1 8.138 0.002 . 1 . . . . A 210 THR H . 34607 1 99 . 1 . 1 22 22 THR HA H 1 4.606 0.000 . 1 . . . . A 210 THR HA . 34607 1 100 . 1 . 1 22 22 THR HB H 1 4.268 0.001 . 1 . . . . A 210 THR HB . 34607 1 101 . 1 . 1 22 22 THR HG21 H 1 0.808 0.001 . 1 . . . . A 210 THR HG21 . 34607 1 102 . 1 . 1 22 22 THR HG22 H 1 0.808 0.001 . 1 . . . . A 210 THR HG22 . 34607 1 103 . 1 . 1 22 22 THR HG23 H 1 0.808 0.001 . 1 . . . . A 210 THR HG23 . 34607 1 104 . 1 . 1 22 22 THR CA C 13 57.097 0.000 . 1 . . . . A 210 THR CA . 34607 1 105 . 1 . 1 22 22 THR CB C 13 64.756 0.015 . 1 . . . . A 210 THR CB . 34607 1 106 . 1 . 1 22 22 THR CG2 C 13 16.016 0.011 . 1 . . . . A 210 THR CG2 . 34607 1 107 . 1 . 1 22 22 THR N N 15 109.709 0.003 . 1 . . . . A 210 THR N . 34607 1 108 . 1 . 1 23 23 VAL H H 1 8.141 0.000 . 1 . . . . A 211 VAL H . 34607 1 109 . 1 . 1 23 23 VAL HA H 1 4.725 0.002 . 1 . . . . A 211 VAL HA . 34607 1 110 . 1 . 1 23 23 VAL HB H 1 1.827 0.002 . 1 . . . . A 211 VAL HB . 34607 1 111 . 1 . 1 23 23 VAL HG11 H 1 0.827 0.004 . 2 . . . . A 211 VAL HG11 . 34607 1 112 . 1 . 1 23 23 VAL HG12 H 1 0.827 0.004 . 2 . . . . A 211 VAL HG12 . 34607 1 113 . 1 . 1 23 23 VAL HG13 H 1 0.827 0.004 . 2 . . . . A 211 VAL HG13 . 34607 1 114 . 1 . 1 23 23 VAL HG21 H 1 0.624 0.004 . 2 . . . . A 211 VAL HG21 . 34607 1 115 . 1 . 1 23 23 VAL HG22 H 1 0.624 0.004 . 2 . . . . A 211 VAL HG22 . 34607 1 116 . 1 . 1 23 23 VAL HG23 H 1 0.624 0.004 . 2 . . . . A 211 VAL HG23 . 34607 1 117 . 1 . 1 23 23 VAL CA C 13 59.095 0.000 . 1 . . . . A 211 VAL CA . 34607 1 118 . 1 . 1 23 23 VAL CB C 13 31.787 0.000 . 1 . . . . A 211 VAL CB . 34607 1 119 . 1 . 1 23 23 VAL CG1 C 13 18.585 0.000 . 2 . . . . A 211 VAL CG1 . 34607 1 120 . 1 . 1 23 23 VAL CG2 C 13 17.994 0.000 . 2 . . . . A 211 VAL CG2 . 34607 1 121 . 1 . 1 23 23 VAL N N 15 124.306 0.020 . 1 . . . . A 211 VAL N . 34607 1 122 . 1 . 1 24 24 VAL H H 1 8.782 0.004 . 1 . . . . A 212 VAL H . 34607 1 123 . 1 . 1 24 24 VAL HA H 1 4.280 0.000 . 1 . . . . A 212 VAL HA . 34607 1 124 . 1 . 1 24 24 VAL HB H 1 1.837 0.001 . 1 . . . . A 212 VAL HB . 34607 1 125 . 1 . 1 24 24 VAL HG11 H 1 0.944 0.000 . 2 . . . . A 212 VAL HG11 . 34607 1 126 . 1 . 1 24 24 VAL HG12 H 1 0.944 0.000 . 2 . . . . A 212 VAL HG12 . 34607 1 127 . 1 . 1 24 24 VAL HG13 H 1 0.944 0.000 . 2 . . . . A 212 VAL HG13 . 34607 1 128 . 1 . 1 24 24 VAL HG21 H 1 0.841 0.000 . 2 . . . . A 212 VAL HG21 . 34607 1 129 . 1 . 1 24 24 VAL HG22 H 1 0.841 0.000 . 2 . . . . A 212 VAL HG22 . 34607 1 130 . 1 . 1 24 24 VAL HG23 H 1 0.841 0.000 . 2 . . . . A 212 VAL HG23 . 34607 1 131 . 1 . 1 24 24 VAL CA C 13 57.916 0.035 . 1 . . . . A 212 VAL CA . 34607 1 132 . 1 . 1 24 24 VAL CB C 13 31.540 0.000 . 1 . . . . A 212 VAL CB . 34607 1 133 . 1 . 1 24 24 VAL CG1 C 13 18.762 0.000 . 2 . . . . A 212 VAL CG1 . 34607 1 134 . 1 . 1 24 24 VAL CG2 C 13 18.469 0.000 . 2 . . . . A 212 VAL CG2 . 34607 1 135 . 1 . 1 24 24 VAL N N 15 127.047 0.005 . 1 . . . . A 212 VAL N . 34607 1 136 . 1 . 1 25 25 ASP H H 1 9.285 0.000 . 1 . . . . A 213 ASP H . 34607 1 137 . 1 . 1 25 25 ASP HA H 1 4.198 0.000 . 1 . . . . A 213 ASP HA . 34607 1 138 . 1 . 1 25 25 ASP HB2 H 1 2.436 0.000 . 2 . . . . A 213 ASP HB2 . 34607 1 139 . 1 . 1 25 25 ASP HB3 H 1 2.837 0.001 . 2 . . . . A 213 ASP HB3 . 34607 1 140 . 1 . 1 25 25 ASP CA C 13 52.434 0.000 . 1 . . . . A 213 ASP CA . 34607 1 141 . 1 . 1 25 25 ASP CB C 13 37.362 0.022 . 1 . . . . A 213 ASP CB . 34607 1 142 . 1 . 1 25 25 ASP N N 15 128.343 0.002 . 1 . . . . A 213 ASP N . 34607 1 143 . 1 . 1 26 26 GLY H H 1 8.148 0.002 . 1 . . . . A 214 GLY H . 34607 1 144 . 1 . 1 26 26 GLY HA2 H 1 3.409 0.000 . 2 . . . . A 214 GLY HA2 . 34607 1 145 . 1 . 1 26 26 GLY HA3 H 1 4.071 0.004 . 2 . . . . A 214 GLY HA3 . 34607 1 146 . 1 . 1 26 26 GLY CA C 13 42.564 0.011 . 1 . . . . A 214 GLY CA . 34607 1 147 . 1 . 1 26 26 GLY N N 15 102.091 0.010 . 1 . . . . A 214 GLY N . 34607 1 148 . 1 . 1 27 27 VAL H H 1 8.095 0.000 . 1 . . . . A 215 VAL H . 34607 1 149 . 1 . 1 27 27 VAL HA H 1 3.837 0.001 . 1 . . . . A 215 VAL HA . 34607 1 150 . 1 . 1 27 27 VAL HB H 1 2.236 0.000 . 1 . . . . A 215 VAL HB . 34607 1 151 . 1 . 1 27 27 VAL HG11 H 1 0.569 0.000 . 2 . . . . A 215 VAL HG11 . 34607 1 152 . 1 . 1 27 27 VAL HG12 H 1 0.569 0.000 . 2 . . . . A 215 VAL HG12 . 34607 1 153 . 1 . 1 27 27 VAL HG13 H 1 0.569 0.000 . 2 . . . . A 215 VAL HG13 . 34607 1 154 . 1 . 1 27 27 VAL HG21 H 1 0.965 0.000 . 2 . . . . A 215 VAL HG21 . 34607 1 155 . 1 . 1 27 27 VAL HG22 H 1 0.965 0.000 . 2 . . . . A 215 VAL HG22 . 34607 1 156 . 1 . 1 27 27 VAL HG23 H 1 0.965 0.000 . 2 . . . . A 215 VAL HG23 . 34607 1 157 . 1 . 1 27 27 VAL CA C 13 59.277 0.003 . 1 . . . . A 215 VAL CA . 34607 1 158 . 1 . 1 27 27 VAL CB C 13 29.869 0.000 . 1 . . . . A 215 VAL CB . 34607 1 159 . 1 . 1 27 27 VAL CG1 C 13 18.618 0.003 . 2 . . . . A 215 VAL CG1 . 34607 1 160 . 1 . 1 27 27 VAL CG2 C 13 19.214 0.003 . 2 . . . . A 215 VAL CG2 . 34607 1 161 . 1 . 1 27 27 VAL N N 15 123.500 0.000 . 1 . . . . A 215 VAL N . 34607 1 162 . 1 . 1 28 28 ALA H H 1 8.135 0.001 . 1 . . . . A 216 ALA H . 34607 1 163 . 1 . 1 28 28 ALA HA H 1 4.184 0.000 . 1 . . . . A 216 ALA HA . 34607 1 164 . 1 . 1 28 28 ALA HB1 H 1 1.386 0.001 . 1 . . . . A 216 ALA HB1 . 34607 1 165 . 1 . 1 28 28 ALA HB2 H 1 1.386 0.001 . 1 . . . . A 216 ALA HB2 . 34607 1 166 . 1 . 1 28 28 ALA HB3 H 1 1.386 0.001 . 1 . . . . A 216 ALA HB3 . 34607 1 167 . 1 . 1 28 28 ALA CA C 13 50.679 0.001 . 1 . . . . A 216 ALA CA . 34607 1 168 . 1 . 1 28 28 ALA CB C 13 16.346 0.004 . 1 . . . . A 216 ALA CB . 34607 1 169 . 1 . 1 28 28 ALA N N 15 131.124 0.012 . 1 . . . . A 216 ALA N . 34607 1 170 . 1 . 1 29 29 VAL H H 1 8.387 0.000 . 1 . . . . A 217 VAL H . 34607 1 171 . 1 . 1 29 29 VAL HA H 1 4.858 0.002 . 1 . . . . A 217 VAL HA . 34607 1 172 . 1 . 1 29 29 VAL HB H 1 1.824 0.001 . 1 . . . . A 217 VAL HB . 34607 1 173 . 1 . 1 29 29 VAL HG11 H 1 0.581 0.001 . 1 . . . . A 217 VAL HG11 . 34607 1 174 . 1 . 1 29 29 VAL HG12 H 1 0.581 0.001 . 1 . . . . A 217 VAL HG12 . 34607 1 175 . 1 . 1 29 29 VAL HG13 H 1 0.581 0.001 . 1 . . . . A 217 VAL HG13 . 34607 1 176 . 1 . 1 29 29 VAL CA C 13 57.534 0.007 . 1 . . . . A 217 VAL CA . 34607 1 177 . 1 . 1 29 29 VAL CB C 13 28.653 0.029 . 1 . . . . A 217 VAL CB . 34607 1 178 . 1 . 1 29 29 VAL CG1 C 13 18.165 0.000 . 1 . . . . A 217 VAL CG1 . 34607 1 179 . 1 . 1 29 29 VAL N N 15 122.085 0.006 . 1 . . . . A 217 VAL N . 34607 1 180 . 1 . 1 30 30 ASN H H 1 9.191 0.000 . 1 . . . . A 218 ASN H . 34607 1 181 . 1 . 1 30 30 ASN HA H 1 5.537 0.001 . 1 . . . . A 218 ASN HA . 34607 1 182 . 1 . 1 30 30 ASN HB2 H 1 2.483 0.000 . 2 . . . . A 218 ASN HB2 . 34607 1 183 . 1 . 1 30 30 ASN HB3 H 1 2.172 0.000 . 2 . . . . A 218 ASN HB3 . 34607 1 184 . 1 . 1 30 30 ASN CA C 13 48.873 0.000 . 1 . . . . A 218 ASN CA . 34607 1 185 . 1 . 1 30 30 ASN CB C 13 40.016 0.004 . 1 . . . . A 218 ASN CB . 34607 1 186 . 1 . 1 30 30 ASN N N 15 126.170 0.001 . 1 . . . . A 218 ASN N . 34607 1 187 . 1 . 1 31 31 MET H H 1 9.212 0.001 . 1 . . . . A 219 MET H . 34607 1 188 . 1 . 1 31 31 MET HA H 1 5.399 0.000 . 1 . . . . A 219 MET HA . 34607 1 189 . 1 . 1 31 31 MET HB2 H 1 2.025 0.002 . 2 . . . . A 219 MET HB2 . 34607 1 190 . 1 . 1 31 31 MET HB3 H 1 1.718 0.000 . 2 . . . . A 219 MET HB3 . 34607 1 191 . 1 . 1 31 31 MET CA C 13 50.839 0.009 . 1 . . . . A 219 MET CA . 34607 1 192 . 1 . 1 31 31 MET CB C 13 32.030 0.016 . 1 . . . . A 219 MET CB . 34607 1 193 . 1 . 1 31 31 MET N N 15 115.917 0.006 . 1 . . . . A 219 MET N . 34607 1 194 . 1 . 1 32 32 PRO HA H 1 4.359 0.000 . 1 . . . . A 220 PRO HA . 34607 1 195 . 1 . 1 32 32 PRO HB2 H 1 2.369 0.001 . 1 . . . . A 220 PRO HB2 . 34607 1 196 . 1 . 1 32 32 PRO HG2 H 1 2.169 0.000 . 2 . . . . A 220 PRO HG2 . 34607 1 197 . 1 . 1 32 32 PRO HG3 H 1 1.873 0.000 . 2 . . . . A 220 PRO HG3 . 34607 1 198 . 1 . 1 32 32 PRO HD2 H 1 3.278 0.000 . 2 . . . . A 220 PRO HD2 . 34607 1 199 . 1 . 1 32 32 PRO HD3 H 1 3.826 0.000 . 2 . . . . A 220 PRO HD3 . 34607 1 200 . 1 . 1 32 32 PRO CA C 13 60.710 0.000 . 1 . . . . A 220 PRO CA . 34607 1 201 . 1 . 1 32 32 PRO CB C 13 29.351 0.026 . 1 . . . . A 220 PRO CB . 34607 1 202 . 1 . 1 32 32 PRO CG C 13 25.950 0.019 . 1 . . . . A 220 PRO CG . 34607 1 203 . 1 . 1 32 32 PRO CD C 13 48.273 0.038 . 1 . . . . A 220 PRO CD . 34607 1 204 . 1 . 1 33 33 ASN H H 1 8.141 0.000 . 1 . . . . A 221 ASN H . 34607 1 205 . 1 . 1 33 33 ASN HA H 1 4.191 0.000 . 1 . . . . A 221 ASN HA . 34607 1 206 . 1 . 1 33 33 ASN HB2 H 1 2.530 0.000 . 2 . . . . A 221 ASN HB2 . 34607 1 207 . 1 . 1 33 33 ASN HB3 H 1 2.511 0.000 . 2 . . . . A 221 ASN HB3 . 34607 1 208 . 1 . 1 33 33 ASN CA C 13 52.913 0.000 . 1 . . . . A 221 ASN CA . 34607 1 209 . 1 . 1 33 33 ASN CB C 13 36.089 0.031 . 1 . . . . A 221 ASN CB . 34607 1 210 . 1 . 1 33 33 ASN N N 15 119.198 0.016 . 1 . . . . A 221 ASN N . 34607 1 211 . 1 . 1 34 34 ASN H H 1 8.376 0.000 . 1 . . . . A 222 ASN H . 34607 1 212 . 1 . 1 34 34 ASN HA H 1 4.632 0.001 . 1 . . . . A 222 ASN HA . 34607 1 213 . 1 . 1 34 34 ASN HB2 H 1 2.850 0.000 . 1 . . . . A 222 ASN HB2 . 34607 1 214 . 1 . 1 34 34 ASN CA C 13 50.189 0.008 . 1 . . . . A 222 ASN CA . 34607 1 215 . 1 . 1 34 34 ASN CB C 13 34.740 0.000 . 1 . . . . A 222 ASN CB . 34607 1 216 . 1 . 1 34 34 ASN N N 15 115.713 0.000 . 1 . . . . A 222 ASN N . 34607 1 217 . 1 . 1 35 35 HIS H H 1 7.688 0.001 . 1 . . . . A 223 HIS H . 34607 1 218 . 1 . 1 35 35 HIS HA H 1 4.559 0.002 . 1 . . . . A 223 HIS HA . 34607 1 219 . 1 . 1 35 35 HIS HB2 H 1 3.134 0.002 . 1 . . . . A 223 HIS HB2 . 34607 1 220 . 1 . 1 35 35 HIS HD2 H 1 7.103 0.000 . 1 . . . . A 223 HIS HD2 . 34607 1 221 . 1 . 1 35 35 HIS CA C 13 53.111 0.000 . 1 . . . . A 223 HIS CA . 34607 1 222 . 1 . 1 35 35 HIS CB C 13 28.847 0.002 . 1 . . . . A 223 HIS CB . 34607 1 223 . 1 . 1 35 35 HIS CD2 C 13 127.385 0.000 . 1 . . . . A 223 HIS CD2 . 34607 1 224 . 1 . 1 35 35 HIS N N 15 122.001 0.008 . 1 . . . . A 223 HIS N . 34607 1 225 . 1 . 1 36 36 PRO HA H 1 4.404 0.000 . 1 . . . . A 224 PRO HA . 34607 1 226 . 1 . 1 36 36 PRO HB2 H 1 2.285 0.000 . 2 . . . . A 224 PRO HB2 . 34607 1 227 . 1 . 1 36 36 PRO HB3 H 1 1.867 0.000 . 2 . . . . A 224 PRO HB3 . 34607 1 228 . 1 . 1 36 36 PRO HG2 H 1 1.797 0.000 . 2 . . . . A 224 PRO HG2 . 34607 1 229 . 1 . 1 36 36 PRO HG3 H 1 1.706 0.000 . 2 . . . . A 224 PRO HG3 . 34607 1 230 . 1 . 1 36 36 PRO HD2 H 1 3.445 0.001 . 1 . . . . A 224 PRO HD2 . 34607 1 231 . 1 . 1 36 36 PRO CA C 13 60.275 0.000 . 1 . . . . A 224 PRO CA . 34607 1 232 . 1 . 1 36 36 PRO CB C 13 29.914 0.016 . 1 . . . . A 224 PRO CB . 34607 1 233 . 1 . 1 36 36 PRO CG C 13 24.881 0.005 . 1 . . . . A 224 PRO CG . 34607 1 234 . 1 . 1 36 36 PRO CD C 13 47.759 0.003 . 1 . . . . A 224 PRO CD . 34607 1 235 . 1 . 1 37 37 ASP H H 1 8.273 0.001 . 1 . . . . A 225 ASP H . 34607 1 236 . 1 . 1 37 37 ASP HA H 1 4.354 0.000 . 1 . . . . A 225 ASP HA . 34607 1 237 . 1 . 1 37 37 ASP HB2 H 1 2.802 0.001 . 2 . . . . A 225 ASP HB2 . 34607 1 238 . 1 . 1 37 37 ASP HB3 H 1 2.709 0.000 . 2 . . . . A 225 ASP HB3 . 34607 1 239 . 1 . 1 37 37 ASP CA C 13 53.392 0.000 . 1 . . . . A 225 ASP CA . 34607 1 240 . 1 . 1 37 37 ASP CB C 13 39.659 0.009 . 1 . . . . A 225 ASP CB . 34607 1 241 . 1 . 1 37 37 ASP N N 15 118.870 0.024 . 1 . . . . A 225 ASP N . 34607 1 242 . 1 . 1 38 38 LEU H H 1 8.259 0.000 . 1 . . . . A 226 LEU H . 34607 1 243 . 1 . 1 38 38 LEU HA H 1 4.955 0.000 . 1 . . . . A 226 LEU HA . 34607 1 244 . 1 . 1 38 38 LEU HB2 H 1 1.764 0.000 . 2 . . . . A 226 LEU HB2 . 34607 1 245 . 1 . 1 38 38 LEU HB3 H 1 1.573 0.000 . 2 . . . . A 226 LEU HB3 . 34607 1 246 . 1 . 1 38 38 LEU HG H 1 1.923 0.000 . 1 . . . . A 226 LEU HG . 34607 1 247 . 1 . 1 38 38 LEU HD11 H 1 0.445 0.000 . 2 . . . . A 226 LEU HD11 . 34607 1 248 . 1 . 1 38 38 LEU HD12 H 1 0.445 0.000 . 2 . . . . A 226 LEU HD12 . 34607 1 249 . 1 . 1 38 38 LEU HD13 H 1 0.445 0.000 . 2 . . . . A 226 LEU HD13 . 34607 1 250 . 1 . 1 38 38 LEU HD21 H 1 0.745 0.000 . 2 . . . . A 226 LEU HD21 . 34607 1 251 . 1 . 1 38 38 LEU HD22 H 1 0.745 0.000 . 2 . . . . A 226 LEU HD22 . 34607 1 252 . 1 . 1 38 38 LEU HD23 H 1 0.745 0.000 . 2 . . . . A 226 LEU HD23 . 34607 1 253 . 1 . 1 38 38 LEU CA C 13 51.529 0.000 . 1 . . . . A 226 LEU CA . 34607 1 254 . 1 . 1 38 38 LEU CB C 13 41.400 0.007 . 1 . . . . A 226 LEU CB . 34607 1 255 . 1 . 1 38 38 LEU CG C 13 23.346 0.000 . 1 . . . . A 226 LEU CG . 34607 1 256 . 1 . 1 38 38 LEU CD1 C 13 23.479 0.003 . 2 . . . . A 226 LEU CD1 . 34607 1 257 . 1 . 1 38 38 LEU CD2 C 13 21.259 0.006 . 2 . . . . A 226 LEU CD2 . 34607 1 258 . 1 . 1 38 38 LEU N N 15 126.102 0.000 . 1 . . . . A 226 LEU N . 34607 1 259 . 1 . 1 39 39 SER H H 1 8.641 0.000 . 1 . . . . A 227 SER H . 34607 1 260 . 1 . 1 39 39 SER HA H 1 3.969 0.000 . 1 . . . . A 227 SER HA . 34607 1 261 . 1 . 1 39 39 SER HB2 H 1 4.035 0.000 . 1 . . . . A 227 SER HB2 . 34607 1 262 . 1 . 1 39 39 SER CA C 13 60.690 0.000 . 1 . . . . A 227 SER CA . 34607 1 263 . 1 . 1 39 39 SER CB C 13 59.781 0.000 . 1 . . . . A 227 SER CB . 34607 1 264 . 1 . 1 39 39 SER N N 15 117.561 0.005 . 1 . . . . A 227 SER N . 34607 1 265 . 1 . 1 40 40 ASN H H 1 8.947 0.001 . 1 . . . . A 228 ASN H . 34607 1 266 . 1 . 1 40 40 ASN HA H 1 4.429 0.000 . 1 . . . . A 228 ASN HA . 34607 1 267 . 1 . 1 40 40 ASN HB2 H 1 2.538 0.000 . 2 . . . . A 228 ASN HB2 . 34607 1 268 . 1 . 1 40 40 ASN HB3 H 1 2.518 0.000 . 2 . . . . A 228 ASN HB3 . 34607 1 269 . 1 . 1 40 40 ASN CA C 13 52.698 0.000 . 1 . . . . A 228 ASN CA . 34607 1 270 . 1 . 1 40 40 ASN CB C 13 34.593 0.000 . 1 . . . . A 228 ASN CB . 34607 1 271 . 1 . 1 40 40 ASN N N 15 118.943 0.003 . 1 . . . . A 228 ASN N . 34607 1 272 . 1 . 1 41 41 TRP H H 1 8.159 0.012 . 1 . . . . A 229 TRP H . 34607 1 273 . 1 . 1 41 41 TRP HA H 1 4.474 0.000 . 1 . . . . A 229 TRP HA . 34607 1 274 . 1 . 1 41 41 TRP HB2 H 1 3.414 0.001 . 2 . . . . A 229 TRP HB2 . 34607 1 275 . 1 . 1 41 41 TRP HB3 H 1 3.169 0.001 . 2 . . . . A 229 TRP HB3 . 34607 1 276 . 1 . 1 41 41 TRP HD1 H 1 7.159 0.005 . 1 . . . . A 229 TRP HD1 . 34607 1 277 . 1 . 1 41 41 TRP HE1 H 1 10.206 0.007 . 1 . . . . A 229 TRP HE1 . 34607 1 278 . 1 . 1 41 41 TRP HE3 H 1 7.416 0.004 . 1 . . . . A 229 TRP HE3 . 34607 1 279 . 1 . 1 41 41 TRP HZ2 H 1 7.268 0.000 . 1 . . . . A 229 TRP HZ2 . 34607 1 280 . 1 . 1 41 41 TRP HZ3 H 1 6.720 0.012 . 1 . . . . A 229 TRP HZ3 . 34607 1 281 . 1 . 1 41 41 TRP HH2 H 1 6.882 0.002 . 1 . . . . A 229 TRP HH2 . 34607 1 282 . 1 . 1 41 41 TRP CA C 13 55.247 0.000 . 1 . . . . A 229 TRP CA . 34607 1 283 . 1 . 1 41 41 TRP CB C 13 27.152 0.022 . 1 . . . . A 229 TRP CB . 34607 1 284 . 1 . 1 41 41 TRP CD1 C 13 127.264 0.023 . 1 . . . . A 229 TRP CD1 . 34607 1 285 . 1 . 1 41 41 TRP CE3 C 13 119.751 0.023 . 1 . . . . A 229 TRP CE3 . 34607 1 286 . 1 . 1 41 41 TRP CZ2 C 13 114.253 0.000 . 1 . . . . A 229 TRP CZ2 . 34607 1 287 . 1 . 1 41 41 TRP CZ3 C 13 122.087 0.014 . 1 . . . . A 229 TRP CZ3 . 34607 1 288 . 1 . 1 41 41 TRP CH2 C 13 124.547 0.014 . 1 . . . . A 229 TRP CH2 . 34607 1 289 . 1 . 1 41 41 TRP N N 15 117.492 0.007 . 1 . . . . A 229 TRP N . 34607 1 290 . 1 . 1 41 41 TRP NE1 N 15 129.296 0.000 . 1 . . . . A 229 TRP NE1 . 34607 1 291 . 1 . 1 42 42 LEU H H 1 7.490 0.002 . 1 . . . . A 230 LEU H . 34607 1 292 . 1 . 1 42 42 LEU HA H 1 4.044 0.000 . 1 . . . . A 230 LEU HA . 34607 1 293 . 1 . 1 42 42 LEU HB2 H 1 1.957 0.002 . 2 . . . . A 230 LEU HB2 . 34607 1 294 . 1 . 1 42 42 LEU HB3 H 1 1.710 0.002 . 2 . . . . A 230 LEU HB3 . 34607 1 295 . 1 . 1 42 42 LEU HG H 1 1.768 0.000 . 1 . . . . A 230 LEU HG . 34607 1 296 . 1 . 1 42 42 LEU HD11 H 1 0.977 0.000 . 2 . . . . A 230 LEU HD11 . 34607 1 297 . 1 . 1 42 42 LEU HD12 H 1 0.977 0.000 . 2 . . . . A 230 LEU HD12 . 34607 1 298 . 1 . 1 42 42 LEU HD13 H 1 0.977 0.000 . 2 . . . . A 230 LEU HD13 . 34607 1 299 . 1 . 1 42 42 LEU HD21 H 1 0.833 0.001 . 2 . . . . A 230 LEU HD21 . 34607 1 300 . 1 . 1 42 42 LEU HD22 H 1 0.833 0.001 . 2 . . . . A 230 LEU HD22 . 34607 1 301 . 1 . 1 42 42 LEU HD23 H 1 0.833 0.001 . 2 . . . . A 230 LEU HD23 . 34607 1 302 . 1 . 1 42 42 LEU CA C 13 57.909 0.003 . 1 . . . . A 230 LEU CA . 34607 1 303 . 1 . 1 42 42 LEU CB C 13 36.753 0.014 . 1 . . . . A 230 LEU CB . 34607 1 304 . 1 . 1 42 42 LEU CG C 13 25.178 0.011 . 1 . . . . A 230 LEU CG . 34607 1 305 . 1 . 1 42 42 LEU CD1 C 13 22.204 0.000 . 2 . . . . A 230 LEU CD1 . 34607 1 306 . 1 . 1 42 42 LEU CD2 C 13 21.047 0.034 . 2 . . . . A 230 LEU CD2 . 34607 1 307 . 1 . 1 42 42 LEU N N 15 121.050 0.019 . 1 . . . . A 230 LEU N . 34607 1 308 . 1 . 1 43 43 PRO HA H 1 4.365 0.000 . 1 . . . . A 231 PRO HA . 34607 1 309 . 1 . 1 43 43 PRO HB2 H 1 1.846 0.000 . 2 . . . . A 231 PRO HB2 . 34607 1 310 . 1 . 1 43 43 PRO HB3 H 1 2.365 0.000 . 2 . . . . A 231 PRO HB3 . 34607 1 311 . 1 . 1 43 43 PRO HG2 H 1 1.961 0.000 . 2 . . . . A 231 PRO HG2 . 34607 1 312 . 1 . 1 43 43 PRO HG3 H 1 2.119 0.000 . 2 . . . . A 231 PRO HG3 . 34607 1 313 . 1 . 1 43 43 PRO HD2 H 1 3.579 0.000 . 2 . . . . A 231 PRO HD2 . 34607 1 314 . 1 . 1 43 43 PRO HD3 H 1 3.700 0.000 . 2 . . . . A 231 PRO HD3 . 34607 1 315 . 1 . 1 43 43 PRO CA C 13 63.958 0.000 . 1 . . . . A 231 PRO CA . 34607 1 316 . 1 . 1 43 43 PRO CB C 13 28.423 0.041 . 1 . . . . A 231 PRO CB . 34607 1 317 . 1 . 1 43 43 PRO CG C 13 25.861 0.010 . 1 . . . . A 231 PRO CG . 34607 1 318 . 1 . 1 43 43 PRO CD C 13 47.081 0.002 . 1 . . . . A 231 PRO CD . 34607 1 319 . 1 . 1 44 44 SER H H 1 7.566 0.000 . 1 . . . . A 232 SER H . 34607 1 320 . 1 . 1 44 44 SER HA H 1 4.280 0.000 . 1 . . . . A 232 SER HA . 34607 1 321 . 1 . 1 44 44 SER HB2 H 1 3.936 0.000 . 1 . . . . A 232 SER HB2 . 34607 1 322 . 1 . 1 44 44 SER CA C 13 59.885 0.000 . 1 . . . . A 232 SER CA . 34607 1 323 . 1 . 1 44 44 SER CB C 13 60.604 0.000 . 1 . . . . A 232 SER CB . 34607 1 324 . 1 . 1 44 44 SER N N 15 113.668 0.000 . 1 . . . . A 232 SER N . 34607 1 325 . 1 . 1 45 45 ILE H H 1 8.494 0.000 . 1 . . . . A 233 ILE H . 34607 1 326 . 1 . 1 45 45 ILE HA H 1 3.301 0.000 . 1 . . . . A 233 ILE HA . 34607 1 327 . 1 . 1 45 45 ILE HB H 1 1.920 0.000 . 1 . . . . A 233 ILE HB . 34607 1 328 . 1 . 1 45 45 ILE HG12 H 1 0.636 0.000 . 2 . . . . A 233 ILE HG12 . 34607 1 329 . 1 . 1 45 45 ILE HG13 H 1 1.860 0.000 . 2 . . . . A 233 ILE HG13 . 34607 1 330 . 1 . 1 45 45 ILE HG21 H 1 0.643 0.000 . 1 . . . . A 233 ILE HG21 . 34607 1 331 . 1 . 1 45 45 ILE HG22 H 1 0.643 0.000 . 1 . . . . A 233 ILE HG22 . 34607 1 332 . 1 . 1 45 45 ILE HG23 H 1 0.643 0.000 . 1 . . . . A 233 ILE HG23 . 34607 1 333 . 1 . 1 45 45 ILE HD11 H 1 0.590 0.000 . 1 . . . . A 233 ILE HD11 . 34607 1 334 . 1 . 1 45 45 ILE HD12 H 1 0.590 0.000 . 1 . . . . A 233 ILE HD12 . 34607 1 335 . 1 . 1 45 45 ILE HD13 H 1 0.590 0.000 . 1 . . . . A 233 ILE HD13 . 34607 1 336 . 1 . 1 45 45 ILE CA C 13 63.970 0.004 . 1 . . . . A 233 ILE CA . 34607 1 337 . 1 . 1 45 45 ILE CB C 13 35.788 0.000 . 1 . . . . A 233 ILE CB . 34607 1 338 . 1 . 1 45 45 ILE CG1 C 13 27.303 0.055 . 1 . . . . A 233 ILE CG1 . 34607 1 339 . 1 . 1 45 45 ILE CG2 C 13 14.719 0.004 . 1 . . . . A 233 ILE CG2 . 34607 1 340 . 1 . 1 45 45 ILE CD1 C 13 11.507 0.000 . 1 . . . . A 233 ILE CD1 . 34607 1 341 . 1 . 1 45 45 ILE N N 15 123.098 0.001 . 1 . . . . A 233 ILE N . 34607 1 342 . 1 . 1 46 46 GLU H H 1 8.521 0.000 . 1 . . . . A 234 GLU H . 34607 1 343 . 1 . 1 46 46 GLU HA H 1 3.767 0.000 . 1 . . . . A 234 GLU HA . 34607 1 344 . 1 . 1 46 46 GLU HB2 H 1 2.001 0.000 . 2 . . . . A 234 GLU HB2 . 34607 1 345 . 1 . 1 46 46 GLU HB3 H 1 2.099 0.000 . 2 . . . . A 234 GLU HB3 . 34607 1 346 . 1 . 1 46 46 GLU HG2 H 1 2.022 0.000 . 2 . . . . A 234 GLU HG2 . 34607 1 347 . 1 . 1 46 46 GLU HG3 H 1 2.440 0.001 . 2 . . . . A 234 GLU HG3 . 34607 1 348 . 1 . 1 46 46 GLU CA C 13 57.710 0.022 . 1 . . . . A 234 GLU CA . 34607 1 349 . 1 . 1 46 46 GLU CB C 13 26.620 0.034 . 1 . . . . A 234 GLU CB . 34607 1 350 . 1 . 1 46 46 GLU CG C 13 34.286 0.021 . 1 . . . . A 234 GLU CG . 34607 1 351 . 1 . 1 46 46 GLU N N 15 117.428 0.010 . 1 . . . . A 234 GLU N . 34607 1 352 . 1 . 1 47 47 LEU H H 1 7.428 0.003 . 1 . . . . A 235 LEU H . 34607 1 353 . 1 . 1 47 47 LEU HA H 1 4.076 0.000 . 1 . . . . A 235 LEU HA . 34607 1 354 . 1 . 1 47 47 LEU HB2 H 1 1.807 0.002 . 1 . . . . A 235 LEU HB2 . 34607 1 355 . 1 . 1 47 47 LEU HG H 1 1.699 0.000 . 1 . . . . A 235 LEU HG . 34607 1 356 . 1 . 1 47 47 LEU HD11 H 1 0.919 0.000 . 2 . . . . A 235 LEU HD11 . 34607 1 357 . 1 . 1 47 47 LEU HD12 H 1 0.919 0.000 . 2 . . . . A 235 LEU HD12 . 34607 1 358 . 1 . 1 47 47 LEU HD13 H 1 0.919 0.000 . 2 . . . . A 235 LEU HD13 . 34607 1 359 . 1 . 1 47 47 LEU HD21 H 1 0.942 0.002 . 2 . . . . A 235 LEU HD21 . 34607 1 360 . 1 . 1 47 47 LEU HD22 H 1 0.942 0.002 . 2 . . . . A 235 LEU HD22 . 34607 1 361 . 1 . 1 47 47 LEU HD23 H 1 0.942 0.002 . 2 . . . . A 235 LEU HD23 . 34607 1 362 . 1 . 1 47 47 LEU CA C 13 55.590 0.002 . 1 . . . . A 235 LEU CA . 34607 1 363 . 1 . 1 47 47 LEU CB C 13 39.703 0.025 . 1 . . . . A 235 LEU CB . 34607 1 364 . 1 . 1 47 47 LEU CG C 13 24.459 0.000 . 1 . . . . A 235 LEU CG . 34607 1 365 . 1 . 1 47 47 LEU CD1 C 13 22.488 0.000 . 2 . . . . A 235 LEU CD1 . 34607 1 366 . 1 . 1 47 47 LEU CD2 C 13 22.138 0.000 . 2 . . . . A 235 LEU CD2 . 34607 1 367 . 1 . 1 47 47 LEU N N 15 117.576 0.053 . 1 . . . . A 235 LEU N . 34607 1 368 . 1 . 1 48 48 CYS H H 1 8.482 0.000 . 1 . . . . A 236 CYS H . 34607 1 369 . 1 . 1 48 48 CYS N N 15 116.614 0.000 . 1 . . . . A 236 CYS N . 34607 1 370 . 1 . 1 49 49 VAL H H 1 8.836 0.001 . 1 . . . . A 237 VAL H . 34607 1 371 . 1 . 1 49 49 VAL HA H 1 4.080 0.000 . 1 . . . . A 237 VAL HA . 34607 1 372 . 1 . 1 49 49 VAL HB H 1 1.998 0.000 . 1 . . . . A 237 VAL HB . 34607 1 373 . 1 . 1 49 49 VAL HG11 H 1 0.920 0.000 . 1 . . . . A 237 VAL HG11 . 34607 1 374 . 1 . 1 49 49 VAL HG12 H 1 0.920 0.000 . 1 . . . . A 237 VAL HG12 . 34607 1 375 . 1 . 1 49 49 VAL HG13 H 1 0.920 0.000 . 1 . . . . A 237 VAL HG13 . 34607 1 376 . 1 . 1 49 49 VAL CA C 13 63.993 0.000 . 1 . . . . A 237 VAL CA . 34607 1 377 . 1 . 1 49 49 VAL CB C 13 29.197 0.000 . 1 . . . . A 237 VAL CB . 34607 1 378 . 1 . 1 49 49 VAL CG1 C 13 20.547 0.000 . 1 . . . . A 237 VAL CG1 . 34607 1 379 . 1 . 1 49 49 VAL N N 15 122.582 0.014 . 1 . . . . A 237 VAL N . 34607 1 380 . 1 . 1 50 50 LYS H H 1 8.041 0.013 . 1 . . . . A 238 LYS H . 34607 1 381 . 1 . 1 50 50 LYS HA H 1 3.993 0.000 . 1 . . . . A 238 LYS HA . 34607 1 382 . 1 . 1 50 50 LYS HB2 H 1 1.942 0.000 . 1 . . . . A 238 LYS HB2 . 34607 1 383 . 1 . 1 50 50 LYS HG2 H 1 1.635 0.001 . 2 . . . . A 238 LYS HG2 . 34607 1 384 . 1 . 1 50 50 LYS HG3 H 1 1.411 0.000 . 2 . . . . A 238 LYS HG3 . 34607 1 385 . 1 . 1 50 50 LYS HD2 H 1 1.654 0.000 . 1 . . . . A 238 LYS HD2 . 34607 1 386 . 1 . 1 50 50 LYS HE2 H 1 2.925 0.000 . 1 . . . . A 238 LYS HE2 . 34607 1 387 . 1 . 1 50 50 LYS CA C 13 58.125 0.000 . 1 . . . . A 238 LYS CA . 34607 1 388 . 1 . 1 50 50 LYS CB C 13 29.707 0.019 . 1 . . . . A 238 LYS CB . 34607 1 389 . 1 . 1 50 50 LYS CG C 13 23.649 0.020 . 1 . . . . A 238 LYS CG . 34607 1 390 . 1 . 1 50 50 LYS CD C 13 26.980 0.000 . 1 . . . . A 238 LYS CD . 34607 1 391 . 1 . 1 50 50 LYS CE C 13 39.549 0.000 . 1 . . . . A 238 LYS CE . 34607 1 392 . 1 . 1 50 50 LYS N N 15 119.490 0.005 . 1 . . . . A 238 LYS N . 34607 1 393 . 1 . 1 51 51 LYS H H 1 8.066 0.001 . 1 . . . . A 239 LYS H . 34607 1 394 . 1 . 1 51 51 LYS HA H 1 4.091 0.003 . 1 . . . . A 239 LYS HA . 34607 1 395 . 1 . 1 51 51 LYS HB2 H 1 1.942 0.000 . 1 . . . . A 239 LYS HB2 . 34607 1 396 . 1 . 1 51 51 LYS HG2 H 1 1.563 0.000 . 2 . . . . A 239 LYS HG2 . 34607 1 397 . 1 . 1 51 51 LYS HG3 H 1 1.509 0.000 . 2 . . . . A 239 LYS HG3 . 34607 1 398 . 1 . 1 51 51 LYS HD2 H 1 1.687 0.000 . 1 . . . . A 239 LYS HD2 . 34607 1 399 . 1 . 1 51 51 LYS HE2 H 1 2.930 0.003 . 1 . . . . A 239 LYS HE2 . 34607 1 400 . 1 . 1 51 51 LYS CA C 13 55.974 0.000 . 1 . . . . A 239 LYS CA . 34607 1 401 . 1 . 1 51 51 LYS CG C 13 22.234 0.033 . 1 . . . . A 239 LYS CG . 34607 1 402 . 1 . 1 51 51 LYS CD C 13 25.886 0.000 . 1 . . . . A 239 LYS CD . 34607 1 403 . 1 . 1 51 51 LYS CE C 13 39.466 0.000 . 1 . . . . A 239 LYS CE . 34607 1 404 . 1 . 1 51 51 LYS N N 15 118.616 0.000 . 1 . . . . A 239 LYS N . 34607 1 405 . 1 . 1 52 52 TYR H H 1 8.398 0.000 . 1 . . . . A 240 TYR H . 34607 1 406 . 1 . 1 52 52 TYR HA H 1 4.048 0.000 . 1 . . . . A 240 TYR HA . 34607 1 407 . 1 . 1 52 52 TYR HB2 H 1 3.158 0.001 . 2 . . . . A 240 TYR HB2 . 34607 1 408 . 1 . 1 52 52 TYR HB3 H 1 2.995 0.004 . 2 . . . . A 240 TYR HB3 . 34607 1 409 . 1 . 1 52 52 TYR HD1 H 1 6.569 0.004 . 1 . . . . A 240 TYR HD1 . 34607 1 410 . 1 . 1 52 52 TYR HD2 H 1 6.569 0.004 . 1 . . . . A 240 TYR HD2 . 34607 1 411 . 1 . 1 52 52 TYR HE1 H 1 6.084 0.000 . 1 . . . . A 240 TYR HE1 . 34607 1 412 . 1 . 1 52 52 TYR HE2 H 1 6.084 0.000 . 1 . . . . A 240 TYR HE2 . 34607 1 413 . 1 . 1 52 52 TYR CA C 13 59.969 0.000 . 1 . . . . A 240 TYR CA . 34607 1 414 . 1 . 1 52 52 TYR CB C 13 36.572 0.006 . 1 . . . . A 240 TYR CB . 34607 1 415 . 1 . 1 52 52 TYR CD1 C 13 132.813 0.004 . 1 . . . . A 240 TYR CD1 . 34607 1 416 . 1 . 1 52 52 TYR CD2 C 13 132.813 0.004 . 1 . . . . A 240 TYR CD2 . 34607 1 417 . 1 . 1 52 52 TYR CE1 C 13 117.047 0.000 . 1 . . . . A 240 TYR CE1 . 34607 1 418 . 1 . 1 52 52 TYR CE2 C 13 117.047 0.000 . 1 . . . . A 240 TYR CE2 . 34607 1 419 . 1 . 1 52 52 TYR N N 15 123.542 0.000 . 1 . . . . A 240 TYR N . 34607 1 420 . 1 . 1 53 53 ASN H H 1 8.981 0.000 . 1 . . . . A 241 ASN H . 34607 1 421 . 1 . 1 53 53 ASN HA H 1 4.600 0.000 . 1 . . . . A 241 ASN HA . 34607 1 422 . 1 . 1 53 53 ASN HB2 H 1 3.082 0.000 . 2 . . . . A 241 ASN HB2 . 34607 1 423 . 1 . 1 53 53 ASN HB3 H 1 2.859 0.000 . 2 . . . . A 241 ASN HB3 . 34607 1 424 . 1 . 1 53 53 ASN CA C 13 52.713 0.000 . 1 . . . . A 241 ASN CA . 34607 1 425 . 1 . 1 53 53 ASN CB C 13 34.852 0.012 . 1 . . . . A 241 ASN CB . 34607 1 426 . 1 . 1 53 53 ASN N N 15 121.916 0.000 . 1 . . . . A 241 ASN N . 34607 1 427 . 1 . 1 54 54 GLU H H 1 7.848 0.001 . 1 . . . . A 242 GLU H . 34607 1 428 . 1 . 1 54 54 GLU HA H 1 3.982 0.000 . 1 . . . . A 242 GLU HA . 34607 1 429 . 1 . 1 54 54 GLU HB2 H 1 2.216 0.000 . 2 . . . . A 242 GLU HB2 . 34607 1 430 . 1 . 1 54 54 GLU HB3 H 1 2.057 0.000 . 2 . . . . A 242 GLU HB3 . 34607 1 431 . 1 . 1 54 54 GLU HG2 H 1 2.590 0.000 . 2 . . . . A 242 GLU HG2 . 34607 1 432 . 1 . 1 54 54 GLU HG3 H 1 2.221 0.000 . 2 . . . . A 242 GLU HG3 . 34607 1 433 . 1 . 1 54 54 GLU CA C 13 56.531 0.000 . 1 . . . . A 242 GLU CA . 34607 1 434 . 1 . 1 54 54 GLU CB C 13 27.158 0.004 . 1 . . . . A 242 GLU CB . 34607 1 435 . 1 . 1 54 54 GLU CG C 13 34.019 0.016 . 1 . . . . A 242 GLU CG . 34607 1 436 . 1 . 1 54 54 GLU N N 15 119.805 0.005 . 1 . . . . A 242 GLU N . 34607 1 437 . 1 . 1 55 55 LYS H H 1 7.086 0.005 . 1 . . . . A 243 LYS H . 34607 1 438 . 1 . 1 55 55 LYS HA H 1 4.256 0.001 . 1 . . . . A 243 LYS HA . 34607 1 439 . 1 . 1 55 55 LYS HB2 H 1 1.439 0.001 . 2 . . . . A 243 LYS HB2 . 34607 1 440 . 1 . 1 55 55 LYS HB3 H 1 1.619 0.001 . 2 . . . . A 243 LYS HB3 . 34607 1 441 . 1 . 1 55 55 LYS HG2 H 1 1.239 0.000 . 2 . . . . A 243 LYS HG2 . 34607 1 442 . 1 . 1 55 55 LYS HG3 H 1 1.372 0.000 . 2 . . . . A 243 LYS HG3 . 34607 1 443 . 1 . 1 55 55 LYS HD2 H 1 1.536 0.001 . 1 . . . . A 243 LYS HD2 . 34607 1 444 . 1 . 1 55 55 LYS HE2 H 1 2.880 0.000 . 1 . . . . A 243 LYS HE2 . 34607 1 445 . 1 . 1 55 55 LYS CA C 13 52.912 0.000 . 1 . . . . A 243 LYS CA . 34607 1 446 . 1 . 1 55 55 LYS CB C 13 30.488 0.018 . 1 . . . . A 243 LYS CB . 34607 1 447 . 1 . 1 55 55 LYS CG C 13 22.378 0.000 . 1 . . . . A 243 LYS CG . 34607 1 448 . 1 . 1 55 55 LYS CD C 13 26.182 0.039 . 1 . . . . A 243 LYS CD . 34607 1 449 . 1 . 1 55 55 LYS CE C 13 39.417 0.000 . 1 . . . . A 243 LYS CE . 34607 1 450 . 1 . 1 55 55 LYS N N 15 114.255 0.000 . 1 . . . . A 243 LYS N . 34607 1 451 . 1 . 1 56 56 HIS H H 1 7.539 0.001 . 1 . . . . A 244 HIS H . 34607 1 452 . 1 . 1 56 56 HIS HA H 1 4.468 0.000 . 1 . . . . A 244 HIS HA . 34607 1 453 . 1 . 1 56 56 HIS HB2 H 1 2.740 0.000 . 2 . . . . A 244 HIS HB2 . 34607 1 454 . 1 . 1 56 56 HIS HB3 H 1 3.269 0.001 . 2 . . . . A 244 HIS HB3 . 34607 1 455 . 1 . 1 56 56 HIS HD2 H 1 6.836 0.000 . 1 . . . . A 244 HIS HD2 . 34607 1 456 . 1 . 1 56 56 HIS CA C 13 53.365 0.025 . 1 . . . . A 244 HIS CA . 34607 1 457 . 1 . 1 56 56 HIS CB C 13 25.441 0.001 . 1 . . . . A 244 HIS CB . 34607 1 458 . 1 . 1 56 56 HIS CD2 C 13 119.250 0.029 . 1 . . . . A 244 HIS CD2 . 34607 1 459 . 1 . 1 56 56 HIS N N 15 120.321 0.009 . 1 . . . . A 244 HIS N . 34607 1 460 . 1 . 1 57 57 THR H H 1 7.659 0.000 . 1 . . . . A 245 THR H . 34607 1 461 . 1 . 1 57 57 THR HA H 1 4.504 0.000 . 1 . . . . A 245 THR HA . 34607 1 462 . 1 . 1 57 57 THR HB H 1 4.270 0.000 . 1 . . . . A 245 THR HB . 34607 1 463 . 1 . 1 57 57 THR HG21 H 1 1.148 0.000 . 1 . . . . A 245 THR HG21 . 34607 1 464 . 1 . 1 57 57 THR HG22 H 1 1.148 0.000 . 1 . . . . A 245 THR HG22 . 34607 1 465 . 1 . 1 57 57 THR HG23 H 1 1.148 0.000 . 1 . . . . A 245 THR HG23 . 34607 1 466 . 1 . 1 57 57 THR CA C 13 58.090 0.000 . 1 . . . . A 245 THR CA . 34607 1 467 . 1 . 1 57 57 THR CB C 13 68.355 0.000 . 1 . . . . A 245 THR CB . 34607 1 468 . 1 . 1 57 57 THR CG2 C 13 18.890 0.000 . 1 . . . . A 245 THR CG2 . 34607 1 469 . 1 . 1 57 57 THR N N 15 111.181 0.000 . 1 . . . . A 245 THR N . 34607 1 470 . 1 . 1 58 58 GLY H H 1 8.873 0.003 . 1 . . . . A 246 GLY H . 34607 1 471 . 1 . 1 58 58 GLY HA2 H 1 3.787 0.000 . 2 . . . . A 246 GLY HA2 . 34607 1 472 . 1 . 1 58 58 GLY HA3 H 1 3.956 0.000 . 2 . . . . A 246 GLY HA3 . 34607 1 473 . 1 . 1 58 58 GLY CA C 13 43.997 0.000 . 1 . . . . A 246 GLY CA . 34607 1 474 . 1 . 1 58 58 GLY N N 15 110.851 0.002 . 1 . . . . A 246 GLY N . 34607 1 475 . 1 . 1 59 59 GLY HA2 H 1 3.875 0.000 . 2 . . . . A 247 GLY HA2 . 34607 1 476 . 1 . 1 59 59 GLY HA3 H 1 4.095 0.000 . 2 . . . . A 247 GLY HA3 . 34607 1 477 . 1 . 1 59 59 GLY CA C 13 43.412 0.000 . 1 . . . . A 247 GLY CA . 34607 1 478 . 1 . 1 60 60 LEU H H 1 7.807 0.000 . 1 . . . . A 248 LEU H . 34607 1 479 . 1 . 1 60 60 LEU HA H 1 4.375 0.001 . 1 . . . . A 248 LEU HA . 34607 1 480 . 1 . 1 60 60 LEU HB2 H 1 1.658 0.000 . 2 . . . . A 248 LEU HB2 . 34607 1 481 . 1 . 1 60 60 LEU HB3 H 1 1.835 0.000 . 2 . . . . A 248 LEU HB3 . 34607 1 482 . 1 . 1 60 60 LEU HG H 1 1.724 0.000 . 1 . . . . A 248 LEU HG . 34607 1 483 . 1 . 1 60 60 LEU HD11 H 1 0.916 0.001 . 2 . . . . A 248 LEU HD11 . 34607 1 484 . 1 . 1 60 60 LEU HD12 H 1 0.916 0.001 . 2 . . . . A 248 LEU HD12 . 34607 1 485 . 1 . 1 60 60 LEU HD13 H 1 0.916 0.001 . 2 . . . . A 248 LEU HD13 . 34607 1 486 . 1 . 1 60 60 LEU HD21 H 1 0.829 0.000 . 2 . . . . A 248 LEU HD21 . 34607 1 487 . 1 . 1 60 60 LEU HD22 H 1 0.829 0.000 . 2 . . . . A 248 LEU HD22 . 34607 1 488 . 1 . 1 60 60 LEU HD23 H 1 0.829 0.000 . 2 . . . . A 248 LEU HD23 . 34607 1 489 . 1 . 1 60 60 LEU CA C 13 51.887 0.000 . 1 . . . . A 248 LEU CA . 34607 1 490 . 1 . 1 60 60 LEU CB C 13 39.592 0.012 . 1 . . . . A 248 LEU CB . 34607 1 491 . 1 . 1 60 60 LEU CG C 13 24.699 0.000 . 1 . . . . A 248 LEU CG . 34607 1 492 . 1 . 1 60 60 LEU CD1 C 13 22.490 0.000 . 2 . . . . A 248 LEU CD1 . 34607 1 493 . 1 . 1 60 60 LEU CD2 C 13 20.644 0.016 . 2 . . . . A 248 LEU CD2 . 34607 1 494 . 1 . 1 60 60 LEU N N 15 119.132 0.027 . 1 . . . . A 248 LEU N . 34607 1 495 . 1 . 1 61 61 LYS H H 1 7.407 0.006 . 1 . . . . A 249 LYS H . 34607 1 496 . 1 . 1 61 61 LYS HA H 1 4.530 0.000 . 1 . . . . A 249 LYS HA . 34607 1 497 . 1 . 1 61 61 LYS HB2 H 1 1.806 0.001 . 1 . . . . A 249 LYS HB2 . 34607 1 498 . 1 . 1 61 61 LYS HG2 H 1 1.573 0.013 . 2 . . . . A 249 LYS HG2 . 34607 1 499 . 1 . 1 61 61 LYS HG3 H 1 1.559 0.000 . 2 . . . . A 249 LYS HG3 . 34607 1 500 . 1 . 1 61 61 LYS HD2 H 1 1.711 0.000 . 1 . . . . A 249 LYS HD2 . 34607 1 501 . 1 . 1 61 61 LYS CA C 13 52.830 0.000 . 1 . . . . A 249 LYS CA . 34607 1 502 . 1 . 1 61 61 LYS CB C 13 30.925 0.000 . 1 . . . . A 249 LYS CB . 34607 1 503 . 1 . 1 61 61 LYS CG C 13 22.381 0.000 . 1 . . . . A 249 LYS CG . 34607 1 504 . 1 . 1 61 61 LYS CD C 13 27.467 0.000 . 1 . . . . A 249 LYS CD . 34607 1 505 . 1 . 1 61 61 LYS N N 15 123.378 0.003 . 1 . . . . A 249 LYS N . 34607 1 506 . 1 . 1 62 62 PRO HA H 1 3.915 0.000 . 1 . . . . A 250 PRO HA . 34607 1 507 . 1 . 1 62 62 PRO HB2 H 1 1.684 0.001 . 2 . . . . A 250 PRO HB2 . 34607 1 508 . 1 . 1 62 62 PRO HB3 H 1 1.451 0.000 . 2 . . . . A 250 PRO HB3 . 34607 1 509 . 1 . 1 62 62 PRO HG2 H 1 2.080 0.000 . 2 . . . . A 250 PRO HG2 . 34607 1 510 . 1 . 1 62 62 PRO HG3 H 1 1.981 0.000 . 2 . . . . A 250 PRO HG3 . 34607 1 511 . 1 . 1 62 62 PRO HD2 H 1 4.152 0.000 . 2 . . . . A 250 PRO HD2 . 34607 1 512 . 1 . 1 62 62 PRO HD3 H 1 3.752 0.000 . 2 . . . . A 250 PRO HD3 . 34607 1 513 . 1 . 1 62 62 PRO CA C 13 60.758 0.000 . 1 . . . . A 250 PRO CA . 34607 1 514 . 1 . 1 62 62 PRO CB C 13 28.771 0.034 . 1 . . . . A 250 PRO CB . 34607 1 515 . 1 . 1 62 62 PRO CG C 13 24.910 0.006 . 1 . . . . A 250 PRO CG . 34607 1 516 . 1 . 1 62 62 PRO CD C 13 47.946 0.000 . 1 . . . . A 250 PRO CD . 34607 1 517 . 1 . 1 63 63 ILE H H 1 8.672 0.000 . 1 . . . . A 251 ILE H . 34607 1 518 . 1 . 1 63 63 ILE HA H 1 4.222 0.000 . 1 . . . . A 251 ILE HA . 34607 1 519 . 1 . 1 63 63 ILE HB H 1 1.830 0.000 . 1 . . . . A 251 ILE HB . 34607 1 520 . 1 . 1 63 63 ILE HG12 H 1 1.258 0.000 . 2 . . . . A 251 ILE HG12 . 34607 1 521 . 1 . 1 63 63 ILE HG13 H 1 0.899 0.000 . 2 . . . . A 251 ILE HG13 . 34607 1 522 . 1 . 1 63 63 ILE HG21 H 1 0.897 0.000 . 1 . . . . A 251 ILE HG21 . 34607 1 523 . 1 . 1 63 63 ILE HG22 H 1 0.897 0.000 . 1 . . . . A 251 ILE HG22 . 34607 1 524 . 1 . 1 63 63 ILE HG23 H 1 0.897 0.000 . 1 . . . . A 251 ILE HG23 . 34607 1 525 . 1 . 1 63 63 ILE HD11 H 1 0.752 0.000 . 1 . . . . A 251 ILE HD11 . 34607 1 526 . 1 . 1 63 63 ILE HD12 H 1 0.752 0.000 . 1 . . . . A 251 ILE HD12 . 34607 1 527 . 1 . 1 63 63 ILE HD13 H 1 0.752 0.000 . 1 . . . . A 251 ILE HD13 . 34607 1 528 . 1 . 1 63 63 ILE CA C 13 59.122 0.000 . 1 . . . . A 251 ILE CA . 34607 1 529 . 1 . 1 63 63 ILE CB C 13 36.242 0.000 . 1 . . . . A 251 ILE CB . 34607 1 530 . 1 . 1 63 63 ILE CG1 C 13 24.396 0.000 . 1 . . . . A 251 ILE CG1 . 34607 1 531 . 1 . 1 63 63 ILE CG2 C 13 15.494 0.000 . 1 . . . . A 251 ILE CG2 . 34607 1 532 . 1 . 1 63 63 ILE CD1 C 13 10.883 0.000 . 1 . . . . A 251 ILE CD1 . 34607 1 533 . 1 . 1 63 63 ILE N N 15 114.487 0.002 . 1 . . . . A 251 ILE N . 34607 1 534 . 1 . 1 64 64 GLU H H 1 7.725 0.007 . 1 . . . . A 252 GLU H . 34607 1 535 . 1 . 1 64 64 GLU HA H 1 4.737 0.000 . 1 . . . . A 252 GLU HA . 34607 1 536 . 1 . 1 64 64 GLU HB2 H 1 1.763 0.000 . 2 . . . . A 252 GLU HB2 . 34607 1 537 . 1 . 1 64 64 GLU HB3 H 1 1.828 0.000 . 2 . . . . A 252 GLU HB3 . 34607 1 538 . 1 . 1 64 64 GLU HG2 H 1 1.828 0.000 . 1 . . . . A 252 GLU HG2 . 34607 1 539 . 1 . 1 64 64 GLU CA C 13 52.756 0.000 . 1 . . . . A 252 GLU CA . 34607 1 540 . 1 . 1 64 64 GLU CB C 13 30.180 0.011 . 1 . . . . A 252 GLU CB . 34607 1 541 . 1 . 1 64 64 GLU CG C 13 32.796 0.000 . 1 . . . . A 252 GLU CG . 34607 1 542 . 1 . 1 64 64 GLU N N 15 120.094 0.004 . 1 . . . . A 252 GLU N . 34607 1 543 . 1 . 1 65 65 VAL H H 1 8.586 0.001 . 1 . . . . A 253 VAL H . 34607 1 544 . 1 . 1 65 65 VAL HA H 1 4.687 0.000 . 1 . . . . A 253 VAL HA . 34607 1 545 . 1 . 1 65 65 VAL HB H 1 1.534 0.000 . 1 . . . . A 253 VAL HB . 34607 1 546 . 1 . 1 65 65 VAL HG11 H 1 0.091 0.001 . 2 . . . . A 253 VAL HG11 . 34607 1 547 . 1 . 1 65 65 VAL HG12 H 1 0.091 0.001 . 2 . . . . A 253 VAL HG12 . 34607 1 548 . 1 . 1 65 65 VAL HG13 H 1 0.091 0.001 . 2 . . . . A 253 VAL HG13 . 34607 1 549 . 1 . 1 65 65 VAL HG21 H 1 0.318 0.005 . 2 . . . . A 253 VAL HG21 . 34607 1 550 . 1 . 1 65 65 VAL HG22 H 1 0.318 0.005 . 2 . . . . A 253 VAL HG22 . 34607 1 551 . 1 . 1 65 65 VAL HG23 H 1 0.318 0.005 . 2 . . . . A 253 VAL HG23 . 34607 1 552 . 1 . 1 65 65 VAL CA C 13 57.057 0.000 . 1 . . . . A 253 VAL CA . 34607 1 553 . 1 . 1 65 65 VAL CB C 13 32.456 0.000 . 1 . . . . A 253 VAL CB . 34607 1 554 . 1 . 1 65 65 VAL CG1 C 13 18.711 0.012 . 2 . . . . A 253 VAL CG1 . 34607 1 555 . 1 . 1 65 65 VAL CG2 C 13 19.461 0.016 . 2 . . . . A 253 VAL CG2 . 34607 1 556 . 1 . 1 65 65 VAL N N 15 122.255 0.011 . 1 . . . . A 253 VAL N . 34607 1 557 . 1 . 1 66 66 ILE H H 1 8.676 0.001 . 1 . . . . A 254 ILE H . 34607 1 558 . 1 . 1 66 66 ILE HA H 1 4.604 0.000 . 1 . . . . A 254 ILE HA . 34607 1 559 . 1 . 1 66 66 ILE HB H 1 1.611 0.002 . 1 . . . . A 254 ILE HB . 34607 1 560 . 1 . 1 66 66 ILE HG12 H 1 0.704 0.000 . 2 . . . . A 254 ILE HG12 . 34607 1 561 . 1 . 1 66 66 ILE HG13 H 1 1.070 0.000 . 2 . . . . A 254 ILE HG13 . 34607 1 562 . 1 . 1 66 66 ILE HG21 H 1 0.628 0.000 . 1 . . . . A 254 ILE HG21 . 34607 1 563 . 1 . 1 66 66 ILE HG22 H 1 0.628 0.000 . 1 . . . . A 254 ILE HG22 . 34607 1 564 . 1 . 1 66 66 ILE HG23 H 1 0.628 0.000 . 1 . . . . A 254 ILE HG23 . 34607 1 565 . 1 . 1 66 66 ILE HD11 H 1 0.208 0.000 . 1 . . . . A 254 ILE HD11 . 34607 1 566 . 1 . 1 66 66 ILE HD12 H 1 0.208 0.000 . 1 . . . . A 254 ILE HD12 . 34607 1 567 . 1 . 1 66 66 ILE HD13 H 1 0.208 0.000 . 1 . . . . A 254 ILE HD13 . 34607 1 568 . 1 . 1 66 66 ILE CA C 13 56.011 0.000 . 1 . . . . A 254 ILE CA . 34607 1 569 . 1 . 1 66 66 ILE CB C 13 36.438 0.000 . 1 . . . . A 254 ILE CB . 34607 1 570 . 1 . 1 66 66 ILE CG1 C 13 24.668 0.000 . 1 . . . . A 254 ILE CG1 . 34607 1 571 . 1 . 1 66 66 ILE CG2 C 13 15.104 0.000 . 1 . . . . A 254 ILE CG2 . 34607 1 572 . 1 . 1 66 66 ILE CD1 C 13 9.313 0.000 . 1 . . . . A 254 ILE CD1 . 34607 1 573 . 1 . 1 66 66 ILE N N 15 125.801 0.003 . 1 . . . . A 254 ILE N . 34607 1 574 . 1 . 1 67 67 ALA H H 1 8.827 0.001 . 1 . . . . A 255 ALA H . 34607 1 575 . 1 . 1 67 67 ALA HA H 1 5.173 0.000 . 1 . . . . A 255 ALA HA . 34607 1 576 . 1 . 1 67 67 ALA HB1 H 1 0.764 0.001 . 1 . . . . A 255 ALA HB1 . 34607 1 577 . 1 . 1 67 67 ALA HB2 H 1 0.764 0.001 . 1 . . . . A 255 ALA HB2 . 34607 1 578 . 1 . 1 67 67 ALA HB3 H 1 0.764 0.001 . 1 . . . . A 255 ALA HB3 . 34607 1 579 . 1 . 1 67 67 ALA CA C 13 47.300 0.000 . 1 . . . . A 255 ALA CA . 34607 1 580 . 1 . 1 67 67 ALA CB C 13 18.162 0.015 . 1 . . . . A 255 ALA CB . 34607 1 581 . 1 . 1 67 67 ALA N N 15 134.447 0.013 . 1 . . . . A 255 ALA N . 34607 1 582 . 1 . 1 68 68 THR H H 1 8.347 0.006 . 1 . . . . A 256 THR H . 34607 1 583 . 1 . 1 68 68 THR HA H 1 4.150 0.006 . 1 . . . . A 256 THR HA . 34607 1 584 . 1 . 1 68 68 THR HB H 1 4.152 0.002 . 1 . . . . A 256 THR HB . 34607 1 585 . 1 . 1 68 68 THR HG21 H 1 1.036 0.005 . 1 . . . . A 256 THR HG21 . 34607 1 586 . 1 . 1 68 68 THR HG22 H 1 1.036 0.005 . 1 . . . . A 256 THR HG22 . 34607 1 587 . 1 . 1 68 68 THR HG23 H 1 1.036 0.005 . 1 . . . . A 256 THR HG23 . 34607 1 588 . 1 . 1 68 68 THR CA C 13 57.144 0.000 . 1 . . . . A 256 THR CA . 34607 1 589 . 1 . 1 68 68 THR CB C 13 70.514 0.011 . 1 . . . . A 256 THR CB . 34607 1 590 . 1 . 1 68 68 THR CG2 C 13 20.023 0.021 . 1 . . . . A 256 THR CG2 . 34607 1 591 . 1 . 1 68 68 THR N N 15 108.526 0.000 . 1 . . . . A 256 THR N . 34607 1 592 . 1 . 1 69 69 GLY H H 1 10.054 0.000 . 1 . . . . A 257 GLY H . 34607 1 593 . 1 . 1 69 69 GLY HA2 H 1 4.394 0.001 . 2 . . . . A 257 GLY HA2 . 34607 1 594 . 1 . 1 69 69 GLY HA3 H 1 3.913 0.000 . 2 . . . . A 257 GLY HA3 . 34607 1 595 . 1 . 1 69 69 GLY CA C 13 42.817 0.000 . 1 . . . . A 257 GLY CA . 34607 1 596 . 1 . 1 69 69 GLY N N 15 111.586 0.000 . 1 . . . . A 257 GLY N . 34607 1 597 . 1 . 1 70 70 GLY H H 1 8.280 0.000 . 1 . . . . A 258 GLY H . 34607 1 598 . 1 . 1 70 70 GLY HA2 H 1 3.258 0.000 . 2 . . . . A 258 GLY HA2 . 34607 1 599 . 1 . 1 70 70 GLY HA3 H 1 4.029 0.000 . 2 . . . . A 258 GLY HA3 . 34607 1 600 . 1 . 1 70 70 GLY CA C 13 42.270 0.010 . 1 . . . . A 258 GLY CA . 34607 1 601 . 1 . 1 70 70 GLY N N 15 111.211 0.036 . 1 . . . . A 258 GLY N . 34607 1 602 . 1 . 1 71 71 GLN H H 1 8.296 0.005 . 1 . . . . A 259 GLN H . 34607 1 603 . 1 . 1 71 71 GLN HA H 1 4.498 0.006 . 1 . . . . A 259 GLN HA . 34607 1 604 . 1 . 1 71 71 GLN HB2 H 1 2.105 0.000 . 2 . . . . A 259 GLN HB2 . 34607 1 605 . 1 . 1 71 71 GLN HB3 H 1 1.993 0.000 . 2 . . . . A 259 GLN HB3 . 34607 1 606 . 1 . 1 71 71 GLN HG2 H 1 2.351 0.000 . 1 . . . . A 259 GLN HG2 . 34607 1 607 . 1 . 1 71 71 GLN CA C 13 53.189 0.000 . 1 . . . . A 259 GLN CA . 34607 1 608 . 1 . 1 71 71 GLN CB C 13 26.499 0.000 . 1 . . . . A 259 GLN CB . 34607 1 609 . 1 . 1 71 71 GLN CG C 13 31.341 0.000 . 1 . . . . A 259 GLN CG . 34607 1 610 . 1 . 1 71 71 GLN N N 15 119.786 0.037 . 1 . . . . A 259 GLN N . 34607 1 611 . 1 . 1 72 72 ASN H H 1 8.997 0.004 . 1 . . . . A 260 ASN H . 34607 1 612 . 1 . 1 72 72 ASN HA H 1 4.531 0.000 . 1 . . . . A 260 ASN HA . 34607 1 613 . 1 . 1 72 72 ASN HB2 H 1 2.912 0.003 . 2 . . . . A 260 ASN HB2 . 34607 1 614 . 1 . 1 72 72 ASN HB3 H 1 2.825 0.000 . 2 . . . . A 260 ASN HB3 . 34607 1 615 . 1 . 1 72 72 ASN CA C 13 51.284 0.010 . 1 . . . . A 260 ASN CA . 34607 1 616 . 1 . 1 72 72 ASN CB C 13 34.948 0.012 . 1 . . . . A 260 ASN CB . 34607 1 617 . 1 . 1 72 72 ASN N N 15 118.448 0.000 . 1 . . . . A 260 ASN N . 34607 1 618 . 1 . 1 73 73 ASN H H 1 8.773 0.002 . 1 . . . . A 261 ASN H . 34607 1 619 . 1 . 1 73 73 ASN HA H 1 4.536 0.003 . 1 . . . . A 261 ASN HA . 34607 1 620 . 1 . 1 73 73 ASN HB3 H 1 3.213 0.000 . 1 . . . . A 261 ASN HB3 . 34607 1 621 . 1 . 1 73 73 ASN CA C 13 51.810 0.000 . 1 . . . . A 261 ASN CA . 34607 1 622 . 1 . 1 73 73 ASN CB C 13 34.975 0.014 . 1 . . . . A 261 ASN CB . 34607 1 623 . 1 . 1 73 73 ASN N N 15 111.819 0.040 . 1 . . . . A 261 ASN N . 34607 1 624 . 1 . 1 74 74 GLN H H 1 7.510 0.000 . 1 . . . . A 262 GLN H . 34607 1 625 . 1 . 1 74 74 GLN HA H 1 5.350 0.003 . 1 . . . . A 262 GLN HA . 34607 1 626 . 1 . 1 74 74 GLN HB2 H 1 1.958 0.000 . 2 . . . . A 262 GLN HB2 . 34607 1 627 . 1 . 1 74 74 GLN HB3 H 1 1.899 0.000 . 2 . . . . A 262 GLN HB3 . 34607 1 628 . 1 . 1 74 74 GLN HG2 H 1 2.317 0.000 . 2 . . . . A 262 GLN HG2 . 34607 1 629 . 1 . 1 74 74 GLN HG3 H 1 2.217 0.000 . 2 . . . . A 262 GLN HG3 . 34607 1 630 . 1 . 1 74 74 GLN CA C 13 52.371 0.011 . 1 . . . . A 262 GLN CA . 34607 1 631 . 1 . 1 74 74 GLN CB C 13 29.751 0.000 . 1 . . . . A 262 GLN CB . 34607 1 632 . 1 . 1 74 74 GLN CG C 13 31.600 0.000 . 1 . . . . A 262 GLN CG . 34607 1 633 . 1 . 1 74 74 GLN N N 15 115.428 0.000 . 1 . . . . A 262 GLN N . 34607 1 634 . 1 . 1 75 75 LEU H H 1 8.515 0.002 . 1 . . . . A 263 LEU H . 34607 1 635 . 1 . 1 75 75 LEU HA H 1 4.183 0.000 . 1 . . . . A 263 LEU HA . 34607 1 636 . 1 . 1 75 75 LEU HB2 H 1 0.818 0.000 . 2 . . . . A 263 LEU HB2 . 34607 1 637 . 1 . 1 75 75 LEU HB3 H 1 0.800 0.000 . 2 . . . . A 263 LEU HB3 . 34607 1 638 . 1 . 1 75 75 LEU CA C 13 51.041 0.000 . 1 . . . . A 263 LEU CA . 34607 1 639 . 1 . 1 75 75 LEU CB C 13 42.359 0.001 . 1 . . . . A 263 LEU CB . 34607 1 640 . 1 . 1 75 75 LEU N N 15 125.816 0.031 . 1 . . . . A 263 LEU N . 34607 1 641 . 1 . 1 76 76 THR H H 1 8.784 0.001 . 1 . . . . A 264 THR H . 34607 1 642 . 1 . 1 76 76 THR HB H 1 3.919 0.000 . 1 . . . . A 264 THR HB . 34607 1 643 . 1 . 1 76 76 THR HG21 H 1 0.954 0.000 . 1 . . . . A 264 THR HG21 . 34607 1 644 . 1 . 1 76 76 THR HG22 H 1 0.954 0.000 . 1 . . . . A 264 THR HG22 . 34607 1 645 . 1 . 1 76 76 THR HG23 H 1 0.954 0.000 . 1 . . . . A 264 THR HG23 . 34607 1 646 . 1 . 1 76 76 THR CB C 13 67.286 0.000 . 1 . . . . A 264 THR CB . 34607 1 647 . 1 . 1 76 76 THR CG2 C 13 19.347 0.000 . 1 . . . . A 264 THR CG2 . 34607 1 648 . 1 . 1 76 76 THR N N 15 121.864 0.003 . 1 . . . . A 264 THR N . 34607 1 649 . 1 . 1 77 77 LEU H H 1 8.938 0.003 . 1 . . . . A 265 LEU H . 34607 1 650 . 1 . 1 77 77 LEU HA H 1 4.754 0.000 . 1 . . . . A 265 LEU HA . 34607 1 651 . 1 . 1 77 77 LEU HB2 H 1 0.543 0.000 . 2 . . . . A 265 LEU HB2 . 34607 1 652 . 1 . 1 77 77 LEU HB3 H 1 1.579 0.000 . 2 . . . . A 265 LEU HB3 . 34607 1 653 . 1 . 1 77 77 LEU HG H 1 1.286 0.000 . 1 . . . . A 265 LEU HG . 34607 1 654 . 1 . 1 77 77 LEU HD11 H 1 0.483 0.000 . 2 . . . . A 265 LEU HD11 . 34607 1 655 . 1 . 1 77 77 LEU HD12 H 1 0.483 0.000 . 2 . . . . A 265 LEU HD12 . 34607 1 656 . 1 . 1 77 77 LEU HD13 H 1 0.483 0.000 . 2 . . . . A 265 LEU HD13 . 34607 1 657 . 1 . 1 77 77 LEU HD21 H 1 0.705 0.001 . 2 . . . . A 265 LEU HD21 . 34607 1 658 . 1 . 1 77 77 LEU HD22 H 1 0.705 0.001 . 2 . . . . A 265 LEU HD22 . 34607 1 659 . 1 . 1 77 77 LEU HD23 H 1 0.705 0.001 . 2 . . . . A 265 LEU HD23 . 34607 1 660 . 1 . 1 77 77 LEU CA C 13 50.157 0.000 . 1 . . . . A 265 LEU CA . 34607 1 661 . 1 . 1 77 77 LEU CB C 13 41.449 0.016 . 1 . . . . A 265 LEU CB . 34607 1 662 . 1 . 1 77 77 LEU CG C 13 23.880 0.000 . 1 . . . . A 265 LEU CG . 34607 1 663 . 1 . 1 77 77 LEU CD1 C 13 20.924 0.008 . 2 . . . . A 265 LEU CD1 . 34607 1 664 . 1 . 1 77 77 LEU CD2 C 13 23.654 0.000 . 2 . . . . A 265 LEU CD2 . 34607 1 665 . 1 . 1 77 77 LEU N N 15 124.814 0.016 . 1 . . . . A 265 LEU N . 34607 1 666 . 1 . 1 78 78 ASN H H 1 8.667 0.000 . 1 . . . . A 266 ASN H . 34607 1 667 . 1 . 1 78 78 ASN HA H 1 5.249 0.000 . 1 . . . . A 266 ASN HA . 34607 1 668 . 1 . 1 78 78 ASN HB2 H 1 2.457 0.000 . 2 . . . . A 266 ASN HB2 . 34607 1 669 . 1 . 1 78 78 ASN HB3 H 1 2.544 0.000 . 2 . . . . A 266 ASN HB3 . 34607 1 670 . 1 . 1 78 78 ASN CA C 13 49.042 0.000 . 1 . . . . A 266 ASN CA . 34607 1 671 . 1 . 1 78 78 ASN CB C 13 38.049 0.000 . 1 . . . . A 266 ASN CB . 34607 1 672 . 1 . 1 78 78 ASN N N 15 121.536 0.000 . 1 . . . . A 266 ASN N . 34607 1 673 . 1 . 1 79 79 TYR H H 1 9.139 0.000 . 1 . . . . A 267 TYR H . 34607 1 674 . 1 . 1 79 79 TYR HA H 1 4.104 0.001 . 1 . . . . A 267 TYR HA . 34607 1 675 . 1 . 1 79 79 TYR HB2 H 1 2.979 0.000 . 2 . . . . A 267 TYR HB2 . 34607 1 676 . 1 . 1 79 79 TYR HB3 H 1 2.227 0.002 . 2 . . . . A 267 TYR HB3 . 34607 1 677 . 1 . 1 79 79 TYR HD1 H 1 6.329 0.004 . 1 . . . . A 267 TYR HD1 . 34607 1 678 . 1 . 1 79 79 TYR HD2 H 1 6.329 0.004 . 1 . . . . A 267 TYR HD2 . 34607 1 679 . 1 . 1 79 79 TYR HE1 H 1 6.117 0.000 . 1 . . . . A 267 TYR HE1 . 34607 1 680 . 1 . 1 79 79 TYR HE2 H 1 6.117 0.000 . 1 . . . . A 267 TYR HE2 . 34607 1 681 . 1 . 1 79 79 TYR CA C 13 56.563 0.000 . 1 . . . . A 267 TYR CA . 34607 1 682 . 1 . 1 79 79 TYR CB C 13 36.888 0.000 . 1 . . . . A 267 TYR CB . 34607 1 683 . 1 . 1 79 79 TYR CD1 C 13 132.726 0.016 . 1 . . . . A 267 TYR CD1 . 34607 1 684 . 1 . 1 79 79 TYR CD2 C 13 132.726 0.016 . 1 . . . . A 267 TYR CD2 . 34607 1 685 . 1 . 1 79 79 TYR CE1 C 13 118.054 0.000 . 1 . . . . A 267 TYR CE1 . 34607 1 686 . 1 . 1 79 79 TYR CE2 C 13 118.054 0.000 . 1 . . . . A 267 TYR CE2 . 34607 1 687 . 1 . 1 79 79 TYR N N 15 125.048 0.000 . 1 . . . . A 267 TYR N . 34607 1 688 . 1 . 1 80 80 ILE H H 1 8.431 0.002 . 1 . . . . A 268 ILE H . 34607 1 689 . 1 . 1 80 80 ILE HA H 1 4.125 0.001 . 1 . . . . A 268 ILE HA . 34607 1 690 . 1 . 1 80 80 ILE HB H 1 1.800 0.000 . 1 . . . . A 268 ILE HB . 34607 1 691 . 1 . 1 80 80 ILE HG12 H 1 1.023 0.000 . 2 . . . . A 268 ILE HG12 . 34607 1 692 . 1 . 1 80 80 ILE HG13 H 1 1.143 0.000 . 2 . . . . A 268 ILE HG13 . 34607 1 693 . 1 . 1 80 80 ILE HG21 H 1 0.803 0.000 . 1 . . . . A 268 ILE HG21 . 34607 1 694 . 1 . 1 80 80 ILE HG22 H 1 0.803 0.000 . 1 . . . . A 268 ILE HG22 . 34607 1 695 . 1 . 1 80 80 ILE HG23 H 1 0.803 0.000 . 1 . . . . A 268 ILE HG23 . 34607 1 696 . 1 . 1 80 80 ILE HD11 H 1 0.489 0.000 . 1 . . . . A 268 ILE HD11 . 34607 1 697 . 1 . 1 80 80 ILE HD12 H 1 0.489 0.000 . 1 . . . . A 268 ILE HD12 . 34607 1 698 . 1 . 1 80 80 ILE HD13 H 1 0.489 0.000 . 1 . . . . A 268 ILE HD13 . 34607 1 699 . 1 . 1 80 80 ILE CA C 13 57.196 0.000 . 1 . . . . A 268 ILE CA . 34607 1 700 . 1 . 1 80 80 ILE CB C 13 35.062 0.019 . 1 . . . . A 268 ILE CB . 34607 1 701 . 1 . 1 80 80 ILE CG1 C 13 24.258 0.000 . 1 . . . . A 268 ILE CG1 . 34607 1 702 . 1 . 1 80 80 ILE CG2 C 13 14.729 0.000 . 1 . . . . A 268 ILE CG2 . 34607 1 703 . 1 . 1 80 80 ILE CD1 C 13 8.774 0.000 . 1 . . . . A 268 ILE CD1 . 34607 1 704 . 1 . 1 80 80 ILE N N 15 124.493 0.006 . 1 . . . . A 268 ILE N . 34607 1 705 . 1 . 1 81 81 HIS H H 1 8.758 0.000 . 1 . . . . A 269 HIS H . 34607 1 706 . 1 . 1 81 81 HIS HA H 1 4.540 0.000 . 1 . . . . A 269 HIS HA . 34607 1 707 . 1 . 1 81 81 HIS HB2 H 1 3.324 0.003 . 2 . . . . A 269 HIS HB2 . 34607 1 708 . 1 . 1 81 81 HIS HB3 H 1 2.992 0.000 . 2 . . . . A 269 HIS HB3 . 34607 1 709 . 1 . 1 81 81 HIS HD2 H 1 6.915 0.004 . 1 . . . . A 269 HIS HD2 . 34607 1 710 . 1 . 1 81 81 HIS CA C 13 53.236 0.023 . 1 . . . . A 269 HIS CA . 34607 1 711 . 1 . 1 81 81 HIS CB C 13 28.575 0.024 . 1 . . . . A 269 HIS CB . 34607 1 712 . 1 . 1 81 81 HIS CD2 C 13 126.606 0.007 . 1 . . . . A 269 HIS CD2 . 34607 1 713 . 1 . 1 81 81 HIS N N 15 125.545 0.000 . 1 . . . . A 269 HIS N . 34607 1 714 . 1 . 1 82 82 SER H H 1 8.777 0.001 . 1 . . . . A 270 SER H . 34607 1 715 . 1 . 1 82 82 SER HA H 1 4.540 0.000 . 1 . . . . A 270 SER HA . 34607 1 716 . 1 . 1 82 82 SER HB2 H 1 3.973 0.000 . 2 . . . . A 270 SER HB2 . 34607 1 717 . 1 . 1 82 82 SER HB3 H 1 4.047 0.001 . 2 . . . . A 270 SER HB3 . 34607 1 718 . 1 . 1 82 82 SER CA C 13 54.810 0.000 . 1 . . . . A 270 SER CA . 34607 1 719 . 1 . 1 82 82 SER CB C 13 60.557 0.013 . 1 . . . . A 270 SER CB . 34607 1 720 . 1 . 1 82 82 SER N N 15 116.517 0.011 . 1 . . . . A 270 SER N . 34607 1 721 . 1 . 1 83 83 PRO HA H 1 4.313 0.000 . 1 . . . . A 271 PRO HA . 34607 1 722 . 1 . 1 83 83 PRO HB2 H 1 2.320 0.000 . 2 . . . . A 271 PRO HB2 . 34607 1 723 . 1 . 1 83 83 PRO HB3 H 1 1.939 0.000 . 2 . . . . A 271 PRO HB3 . 34607 1 724 . 1 . 1 83 83 PRO HG2 H 1 2.058 0.000 . 2 . . . . A 271 PRO HG2 . 34607 1 725 . 1 . 1 83 83 PRO HG3 H 1 2.013 0.000 . 2 . . . . A 271 PRO HG3 . 34607 1 726 . 1 . 1 83 83 PRO CA C 13 62.472 0.000 . 1 . . . . A 271 PRO CA . 34607 1 727 . 1 . 1 83 83 PRO CB C 13 29.379 0.002 . 1 . . . . A 271 PRO CB . 34607 1 728 . 1 . 1 83 83 PRO CG C 13 24.917 0.030 . 1 . . . . A 271 PRO CG . 34607 1 stop_ save_