data_27397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27397 _Entry.Title ; 1H, 13C, 15N Chemical shift assignment for the TolAIII-TolB-peptide complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-07 _Entry.Accession_date 2018-02-07 _Entry.Last_release_date 2018-02-07 _Entry.Original_release_date 2018-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 '1H, 13C, 15N Chemical shift assignment for the TolAIII-TolB-peptide complex.' _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 . . . . 27397 2 Peter Holmes . . . . 27397 3 Karthik Rajasekar . . . . 27397 4 Colin Kleanthous . . . . 27397 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Oxford' . 27397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 27397 '15N chemical shifts' 140 27397 '1H chemical shifts' 891 27397 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-03-16 . original BMRB . 27397 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27397 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the TolA-TolB complex suggests 'Pal-uncapping' is the primary role of the Tol-Pal system in bacteria ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Peter Holmes . . . . 27397 1 2 Karthik Rajasekar . . . . 27397 1 3 Patrice Rassam . . . . 27397 1 4 Eoin Cassels . . . . 27397 1 5 Christina Redfield . . . . 27397 1 6 Colin Kleanthous . . . . 27397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27397 _Assembly.ID 1 _Assembly.Name TolAIII-TolBp _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TolAIII 1 $TolAIII A A yes native no no . . . 27397 1 2 TolBp 2 $TolBp B B yes native no no . . . 27397 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 27397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TolAIII _Entity.Sf_category entity _Entity.Sf_framecode TolAIII _Entity.Entry_ID 27397 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TolAIII _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 ; HMRALAELLSDTTERQQALA DEVGSEVTGSLDDLIVNLVS QQWRRPPSARNGMSVEVLIE MLPDGTITNASVSRSSGDKP FDSSAVAAVRNVGRIPEMQQ LPRATFDSLYRQRRIIFKPE DLSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first residue is H224 and the last is L347' _Entity.Polymer_author_seq_details 'This is the 3rd domain of TolA' _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TolAIII _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 224 HIS . 27397 1 2 225 MET . 27397 1 3 226 ARG . 27397 1 4 227 ALA . 27397 1 5 228 LEU . 27397 1 6 229 ALA . 27397 1 7 230 GLU . 27397 1 8 231 LEU . 27397 1 9 232 LEU . 27397 1 10 233 SER . 27397 1 11 234 ASP . 27397 1 12 235 THR . 27397 1 13 236 THR . 27397 1 14 237 GLU . 27397 1 15 238 ARG . 27397 1 16 239 GLN . 27397 1 17 240 GLN . 27397 1 18 241 ALA . 27397 1 19 242 LEU . 27397 1 20 243 ALA . 27397 1 21 244 ASP . 27397 1 22 245 GLU . 27397 1 23 246 VAL . 27397 1 24 247 GLY . 27397 1 25 248 SER . 27397 1 26 249 GLU . 27397 1 27 250 VAL . 27397 1 28 251 THR . 27397 1 29 252 GLY . 27397 1 30 253 SER . 27397 1 31 254 LEU . 27397 1 32 255 ASP . 27397 1 33 256 ASP . 27397 1 34 257 LEU . 27397 1 35 258 ILE . 27397 1 36 259 VAL . 27397 1 37 260 ASN . 27397 1 38 261 LEU . 27397 1 39 262 VAL . 27397 1 40 263 SER . 27397 1 41 264 GLN . 27397 1 42 265 GLN . 27397 1 43 266 TRP . 27397 1 44 267 ARG . 27397 1 45 268 ARG . 27397 1 46 269 PRO . 27397 1 47 270 PRO . 27397 1 48 271 SER . 27397 1 49 272 ALA . 27397 1 50 273 ARG . 27397 1 51 274 ASN . 27397 1 52 275 GLY . 27397 1 53 276 MET . 27397 1 54 277 SER . 27397 1 55 278 VAL . 27397 1 56 279 GLU . 27397 1 57 280 VAL . 27397 1 58 281 LEU . 27397 1 59 282 ILE . 27397 1 60 283 GLU . 27397 1 61 284 MET . 27397 1 62 285 LEU . 27397 1 63 286 PRO . 27397 1 64 287 ASP . 27397 1 65 288 GLY . 27397 1 66 289 THR . 27397 1 67 290 ILE . 27397 1 68 291 THR . 27397 1 69 292 ASN . 27397 1 70 293 ALA . 27397 1 71 294 SER . 27397 1 72 295 VAL . 27397 1 73 296 SER . 27397 1 74 297 ARG . 27397 1 75 298 SER . 27397 1 76 299 SER . 27397 1 77 300 GLY . 27397 1 78 301 ASP . 27397 1 79 302 LYS . 27397 1 80 303 PRO . 27397 1 81 304 PHE . 27397 1 82 305 ASP . 27397 1 83 306 SER . 27397 1 84 307 SER . 27397 1 85 308 ALA . 27397 1 86 309 VAL . 27397 1 87 310 ALA . 27397 1 88 311 ALA . 27397 1 89 312 VAL . 27397 1 90 313 ARG . 27397 1 91 314 ASN . 27397 1 92 315 VAL . 27397 1 93 316 GLY . 27397 1 94 317 ARG . 27397 1 95 318 ILE . 27397 1 96 319 PRO . 27397 1 97 320 GLU . 27397 1 98 321 MET . 27397 1 99 322 GLN . 27397 1 100 323 GLN . 27397 1 101 324 LEU . 27397 1 102 325 PRO . 27397 1 103 326 ARG . 27397 1 104 327 ALA . 27397 1 105 328 THR . 27397 1 106 329 PHE . 27397 1 107 330 ASP . 27397 1 108 331 SER . 27397 1 109 332 LEU . 27397 1 110 333 TYR . 27397 1 111 334 ARG . 27397 1 112 335 GLN . 27397 1 113 336 ARG . 27397 1 114 337 ARG . 27397 1 115 338 ILE . 27397 1 116 339 ILE . 27397 1 117 340 PHE . 27397 1 118 341 LYS . 27397 1 119 342 PRO . 27397 1 120 343 GLU . 27397 1 121 344 ASP . 27397 1 122 345 LEU . 27397 1 123 346 SER . 27397 1 124 347 LEU . 27397 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 . HIS 1 1 27397 1 . MET 2 2 27397 1 . ARG 3 3 27397 1 . ALA 4 4 27397 1 . LEU 5 5 27397 1 . ALA 6 6 27397 1 . GLU 7 7 27397 1 . LEU 8 8 27397 1 . LEU 9 9 27397 1 . SER 10 10 27397 1 . ASP 11 11 27397 1 . THR 12 12 27397 1 . THR 13 13 27397 1 . GLU 14 14 27397 1 . ARG 15 15 27397 1 . GLN 16 16 27397 1 . GLN 17 17 27397 1 . ALA 18 18 27397 1 . LEU 19 19 27397 1 . ALA 20 20 27397 1 . ASP 21 21 27397 1 . GLU 22 22 27397 1 . VAL 23 23 27397 1 . GLY 24 24 27397 1 . SER 25 25 27397 1 . GLU 26 26 27397 1 . VAL 27 27 27397 1 . THR 28 28 27397 1 . GLY 29 29 27397 1 . SER 30 30 27397 1 . LEU 31 31 27397 1 . ASP 32 32 27397 1 . ASP 33 33 27397 1 . LEU 34 34 27397 1 . ILE 35 35 27397 1 . VAL 36 36 27397 1 . ASN 37 37 27397 1 . LEU 38 38 27397 1 . VAL 39 39 27397 1 . SER 40 40 27397 1 . GLN 41 41 27397 1 . GLN 42 42 27397 1 . TRP 43 43 27397 1 . ARG 44 44 27397 1 . ARG 45 45 27397 1 . PRO 46 46 27397 1 . PRO 47 47 27397 1 . SER 48 48 27397 1 . ALA 49 49 27397 1 . ARG 50 50 27397 1 . ASN 51 51 27397 1 . GLY 52 52 27397 1 . MET 53 53 27397 1 . SER 54 54 27397 1 . VAL 55 55 27397 1 . GLU 56 56 27397 1 . VAL 57 57 27397 1 . LEU 58 58 27397 1 . ILE 59 59 27397 1 . GLU 60 60 27397 1 . MET 61 61 27397 1 . LEU 62 62 27397 1 . PRO 63 63 27397 1 . ASP 64 64 27397 1 . GLY 65 65 27397 1 . THR 66 66 27397 1 . ILE 67 67 27397 1 . THR 68 68 27397 1 . ASN 69 69 27397 1 . ALA 70 70 27397 1 . SER 71 71 27397 1 . VAL 72 72 27397 1 . SER 73 73 27397 1 . ARG 74 74 27397 1 . SER 75 75 27397 1 . SER 76 76 27397 1 . GLY 77 77 27397 1 . ASP 78 78 27397 1 . LYS 79 79 27397 1 . PRO 80 80 27397 1 . PHE 81 81 27397 1 . ASP 82 82 27397 1 . SER 83 83 27397 1 . SER 84 84 27397 1 . ALA 85 85 27397 1 . VAL 86 86 27397 1 . ALA 87 87 27397 1 . ALA 88 88 27397 1 . VAL 89 89 27397 1 . ARG 90 90 27397 1 . ASN 91 91 27397 1 . VAL 92 92 27397 1 . GLY 93 93 27397 1 . ARG 94 94 27397 1 . ILE 95 95 27397 1 . PRO 96 96 27397 1 . GLU 97 97 27397 1 . MET 98 98 27397 1 . GLN 99 99 27397 1 . GLN 100 100 27397 1 . LEU 101 101 27397 1 . PRO 102 102 27397 1 . ARG 103 103 27397 1 . ALA 104 104 27397 1 . THR 105 105 27397 1 . PHE 106 106 27397 1 . ASP 107 107 27397 1 . SER 108 108 27397 1 . LEU 109 109 27397 1 . TYR 110 110 27397 1 . ARG 111 111 27397 1 . GLN 112 112 27397 1 . ARG 113 113 27397 1 . ARG 114 114 27397 1 . ILE 115 115 27397 1 . ILE 116 116 27397 1 . PHE 117 117 27397 1 . LYS 118 118 27397 1 . PRO 119 119 27397 1 . GLU 120 120 27397 1 . ASP 121 121 27397 1 . LEU 122 122 27397 1 . SER 123 123 27397 1 . LEU 124 124 27397 1 stop_ save_ save_TolBp _Entity.Sf_category entity _Entity.Sf_framecode TolBp _Entity.Entry_ID 27397 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TolBp _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 ; ADPLVISSGNDRA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Peptide is numbered starting with 1 but the peptide represents residues 22-34 of the TolB sequence.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'TolB peptide' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 27397 2 2 2 ASP . 27397 2 3 3 PRO . 27397 2 4 4 LEU . 27397 2 5 5 VAL . 27397 2 6 6 ILE . 27397 2 7 7 SER . 27397 2 8 8 SER . 27397 2 9 9 GLY . 27397 2 10 10 ASN . 27397 2 11 11 ASP . 27397 2 12 12 ARG . 27397 2 13 13 ALA . 27397 2 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 . ALA 1 1 27397 2 . ASP 2 2 27397 2 . PRO 3 3 27397 2 . LEU 4 4 27397 2 . VAL 5 5 27397 2 . ILE 6 6 27397 2 . SER 7 7 27397 2 . SER 8 8 27397 2 . GLY 9 9 27397 2 . ASN 10 10 27397 2 . ASP 11 11 27397 2 . ARG 12 12 27397 2 . ALA 13 13 27397 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27397 _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 $TolAIII . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 27397 1 2 2 $TolBp . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 27397 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 27397 _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 $TolAIII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . 'BL21 DE3' . . . . 'pREN28 pQE2/Im9' . . . 27397 1 2 2 $TolBp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . 'BL21 DE3' . . . . pPH03 . . . 27397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27397 _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 TolAIII '[U-98% 15N]' . . 1 $TolAIII . . 0.6 . . mM 0.05 . . . 27397 1 2 TolBp 'natural abundance' . . 2 $TolBp . . 3 . . mM 0.1 . . . 27397 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 27397 1 4 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM 0.5 . . . 27397 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27397 _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 TolAIII '[U-98% 13C; U-98% 15N]' . . 1 $TolAIII . . 0.6 . . mM 0.05 . . . 27397 2 2 TolBp 'natural abundance' . . 2 $TolBp . . 3 . . mM 0.1 . . . 27397 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 27397 2 4 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM 0.5 . . . 27397 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27397 _Sample.ID 3 _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 TolAIII 'natural abundance' . . 1 $TolAIII . . 1.1 . . mM 0.05 . . . 27397 3 2 TolBp '[U-98% 13C; U-98% 15N]' . . 2 $TolBp . . 0.2 . . mM 0.02 . . . 27397 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 27397 3 4 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM 0.5 . . . 27397 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27397 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TolAIII '[U-98% 13C; U-98% 15N]' . . 1 $TolAIII . . 0.6 . . mM 0.05 . . . 27397 4 2 TolBp 'natural abundance' . . 2 $TolBp . . 3 . . mM 0.1 . . . 27397 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 27397 4 4 'sodium chloride' 'natural abundance' . . . . . . 60 . . mM 0.5 . . . 27397 4 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 27397 _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' 140 . mM 27397 1 pH 7.0 0.05 pH 27397 1 pressure 1 . atm 27397 1 temperature 293 1 K 27397 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27397 _Software.ID 1 _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' . . 27397 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27397 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27397 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27397 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27397 2 . 'peak picking' 27397 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 27397 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 27397 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 27397 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 27397 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with cryoprobe' _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 27397 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'RT probe' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27397 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'RT probe' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27397 _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 'with cryoprobe' . . 27397 1 2 spectrometer_2 Home-built OMEGA . 750 'RT probe' . . 27397 1 3 spectrometer_3 Home-built OMEGA . 950 'RT probe' . . 27397 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 27397 _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 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 3 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27397 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27397 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27397 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27397 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27397 1 15 '2D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 16 '2D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 17 '2D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 18 '2D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 21 '2D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 22 '2D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 23 '2D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27397 1 24 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27397 1 25 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27397 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 27397 _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 . . . . . 27397 1 H 1 water protons . . . . ppm 4.80 internal direct 1.0 . . . . . 27397 1 N 15 water protons . . . . ppm 4.80 internal indirect 0.101329118 . . . . . 27397 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 27397 _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 1 '3D HNCO' . . . 27397 1 2 '3D HNCA' . . . 27397 1 3 '3D CBCANH' . . . 27397 1 4 '3D CBCA(CO)NH' . . . 27397 1 5 '3D H(CCO)NH' . . . 27397 1 6 '3D C(CO)NH' . . . 27397 1 7 '3D HBHA(CO)NH' . . . 27397 1 8 '2D 1H-15N HSQC' . . . 27397 1 10 '3D 1H-15N TOCSY' . . . 27397 1 11 '2D 1H-15N HSQC' . . . 27397 1 12 '2D 1H-13C HSQC' . . . 27397 1 24 '3D HCCH-TOCSY' . . . 27397 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 2 $Analysis . . 27397 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 2 2 MET H H 1 8.629 0.021 . 1 . . . . . 225 Met H . 27397 1 2 . 1 . 1 2 2 MET HA H 1 4.453 0.000 . 1 . . . . . 225 Met HA . 27397 1 3 . 1 . 1 2 2 MET CA C 13 55.065 0.000 . 1 . . . . . 225 Met CA . 27397 1 4 . 1 . 1 2 2 MET N N 15 123.971 0.087 . 1 . . . . . 225 Met N . 27397 1 5 . 1 . 1 4 4 ALA H H 1 8.410 0.007 . 1 . . . . . 227 Ala H . 27397 1 6 . 1 . 1 4 4 ALA HA H 1 4.270 0.002 . 1 . . . . . 227 Ala HA . 27397 1 7 . 1 . 1 4 4 ALA HB1 H 1 1.369 0.000 . 1 . . . . . 227 Ala HB1 . 27397 1 8 . 1 . 1 4 4 ALA HB2 H 1 1.369 0.000 . 1 . . . . . 227 Ala HB2 . 27397 1 9 . 1 . 1 4 4 ALA HB3 H 1 1.369 0.000 . 1 . . . . . 227 Ala HB3 . 27397 1 10 . 1 . 1 4 4 ALA C C 13 177.833 0.000 . 1 . . . . . 227 Ala C . 27397 1 11 . 1 . 1 4 4 ALA N N 15 125.505 0.086 . 1 . . . . . 227 Ala N . 27397 1 12 . 1 . 1 5 5 LEU H H 1 8.226 0.002 . 1 . . . . . 228 Leu H . 27397 1 13 . 1 . 1 5 5 LEU HA H 1 4.269 0.000 . 1 . . . . . 228 Leu HA . 27397 1 14 . 1 . 1 5 5 LEU HB2 H 1 1.619 0.000 . 2 . . . . . 228 Leu HB2 . 27397 1 15 . 1 . 1 5 5 LEU HB3 H 1 1.372 0.000 . 2 . . . . . 228 Leu HB3 . 27397 1 16 . 1 . 1 5 5 LEU C C 13 177.670 0.000 . 1 . . . . . 228 Leu C . 27397 1 17 . 1 . 1 5 5 LEU N N 15 121.964 0.073 . 1 . . . . . 228 Leu N . 27397 1 18 . 1 . 1 6 6 ALA H H 1 8.261 0.003 . 1 . . . . . 229 Ala H . 27397 1 19 . 1 . 1 6 6 ALA HA H 1 4.209 0.000 . 1 . . . . . 229 Ala HA . 27397 1 20 . 1 . 1 6 6 ALA HB1 H 1 1.366 0.002 . 1 . . . . . 229 Ala HB1 . 27397 1 21 . 1 . 1 6 6 ALA HB2 H 1 1.366 0.002 . 1 . . . . . 229 Ala HB2 . 27397 1 22 . 1 . 1 6 6 ALA HB3 H 1 1.366 0.002 . 1 . . . . . 229 Ala HB3 . 27397 1 23 . 1 . 1 6 6 ALA C C 13 178.201 0.000 . 1 . . . . . 229 Ala C . 27397 1 24 . 1 . 1 6 6 ALA N N 15 123.270 0.094 . 1 . . . . . 229 Ala N . 27397 1 25 . 1 . 1 7 7 GLU H H 1 8.156 0.001 . 1 . . . . . 230 Glu H . 27397 1 26 . 1 . 1 7 7 GLU HA H 1 4.192 0.001 . 1 . . . . . 230 Glu HA . 27397 1 27 . 1 . 1 7 7 GLU HB2 H 1 1.972 0.000 . 2 . . . . . 230 Glu HB2 . 27397 1 28 . 1 . 1 7 7 GLU HB3 H 1 1.982 0.005 . 2 . . . . . 230 Glu HB3 . 27397 1 29 . 1 . 1 7 7 GLU HG2 H 1 2.236 0.000 . 2 . . . . . 230 Glu HG2 . 27397 1 30 . 1 . 1 7 7 GLU HG3 H 1 1.972 0.000 . 2 . . . . . 230 Glu HG3 . 27397 1 31 . 1 . 1 7 7 GLU C C 13 176.708 0.000 . 1 . . . . . 230 Glu C . 27397 1 32 . 1 . 1 7 7 GLU N N 15 118.983 0.014 . 1 . . . . . 230 Glu N . 27397 1 33 . 1 . 1 8 8 LEU H H 1 8.098 0.001 . 1 . . . . . 231 Leu H . 27397 1 34 . 1 . 1 8 8 LEU HA H 1 4.301 0.000 . 1 . . . . . 231 Leu HA . 27397 1 35 . 1 . 1 8 8 LEU HB2 H 1 1.628 0.000 . 1 . . . . . 231 Leu HB2 . 27397 1 36 . 1 . 1 8 8 LEU HB3 H 1 1.628 0.000 . 1 . . . . . 231 Leu HB3 . 27397 1 37 . 1 . 1 8 8 LEU HG H 1 1.628 0.000 . 1 . . . . . 231 Leu HG . 27397 1 38 . 1 . 1 8 8 LEU HD11 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD11 . 27397 1 39 . 1 . 1 8 8 LEU HD12 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD12 . 27397 1 40 . 1 . 1 8 8 LEU HD13 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD13 . 27397 1 41 . 1 . 1 8 8 LEU HD21 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD21 . 27397 1 42 . 1 . 1 8 8 LEU HD22 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD22 . 27397 1 43 . 1 . 1 8 8 LEU HD23 H 1 0.857 0.000 . 1 . . . . . 231 Leu HD23 . 27397 1 44 . 1 . 1 8 8 LEU C C 13 177.595 0.000 . 1 . . . . . 231 Leu C . 27397 1 45 . 1 . 1 8 8 LEU N N 15 122.601 0.037 . 1 . . . . . 231 Leu N . 27397 1 46 . 1 . 1 9 9 LEU H H 1 8.171 0.006 . 1 . . . . . 232 Leu H . 27397 1 47 . 1 . 1 9 9 LEU C C 13 177.541 0.000 . 1 . . . . . 232 Leu C . 27397 1 48 . 1 . 1 9 9 LEU N N 15 122.394 0.104 . 1 . . . . . 232 Leu N . 27397 1 49 . 1 . 1 10 10 SER H H 1 8.141 0.001 . 1 . . . . . 233 Ser H . 27397 1 50 . 1 . 1 10 10 SER HA H 1 4.354 0.000 . 1 . . . . . 233 Ser HA . 27397 1 51 . 1 . 1 10 10 SER HB2 H 1 3.854 0.016 . 1 . . . . . 233 Ser HB2 . 27397 1 52 . 1 . 1 10 10 SER HB3 H 1 3.854 0.016 . 1 . . . . . 233 Ser HB3 . 27397 1 53 . 1 . 1 10 10 SER C C 13 174.379 0.000 . 1 . . . . . 233 Ser C . 27397 1 54 . 1 . 1 10 10 SER N N 15 116.050 0.021 . 1 . . . . . 233 Ser N . 27397 1 55 . 1 . 1 11 11 ASP H H 1 8.332 0.006 . 1 . . . . . 234 Asp H . 27397 1 56 . 1 . 1 11 11 ASP HA H 1 4.673 0.003 . 1 . . . . . 234 Asp HA . 27397 1 57 . 1 . 1 11 11 ASP HB2 H 1 2.711 0.012 . 2 . . . . . 234 Asp HB2 . 27397 1 58 . 1 . 1 11 11 ASP HB3 H 1 2.684 0.016 . 2 . . . . . 234 Asp HB3 . 27397 1 59 . 1 . 1 11 11 ASP C C 13 176.752 0.000 . 1 . . . . . 234 Asp C . 27397 1 60 . 1 . 1 11 11 ASP CA C 13 53.844 0.170 . 1 . . . . . 234 Asp CA . 27397 1 61 . 1 . 1 11 11 ASP CB C 13 40.807 0.069 . 1 . . . . . 234 Asp CB . 27397 1 62 . 1 . 1 11 11 ASP N N 15 122.583 0.020 . 1 . . . . . 234 Asp N . 27397 1 63 . 1 . 1 12 12 THR H H 1 8.170 0.003 . 1 . . . . . 235 Thr H . 27397 1 64 . 1 . 1 12 12 THR HA H 1 4.342 0.004 . 1 . . . . . 235 Thr HA . 27397 1 65 . 1 . 1 12 12 THR HB H 1 4.342 0.012 . 1 . . . . . 235 Thr HB . 27397 1 66 . 1 . 1 12 12 THR HG21 H 1 1.192 0.004 . 1 . . . . . 235 Thr HG21 . 27397 1 67 . 1 . 1 12 12 THR HG22 H 1 1.192 0.004 . 1 . . . . . 235 Thr HG22 . 27397 1 68 . 1 . 1 12 12 THR HG23 H 1 1.192 0.004 . 1 . . . . . 235 Thr HG23 . 27397 1 69 . 1 . 1 12 12 THR C C 13 175.200 0.000 . 1 . . . . . 235 Thr C . 27397 1 70 . 1 . 1 12 12 THR CA C 13 61.674 0.018 . 1 . . . . . 235 Thr CA . 27397 1 71 . 1 . 1 12 12 THR CB C 13 69.145 0.061 . 1 . . . . . 235 Thr CB . 27397 1 72 . 1 . 1 12 12 THR CG2 C 13 21.209 0.023 . 1 . . . . . 235 Thr CG2 . 27397 1 73 . 1 . 1 12 12 THR N N 15 114.206 0.098 . 1 . . . . . 235 Thr N . 27397 1 74 . 1 . 1 13 13 THR H H 1 8.218 0.003 . 1 . . . . . 236 Thr H . 27397 1 75 . 1 . 1 13 13 THR HA H 1 4.216 0.002 . 1 . . . . . 236 Thr HA . 27397 1 76 . 1 . 1 13 13 THR HB H 1 4.213 0.007 . 1 . . . . . 236 Thr HB . 27397 1 77 . 1 . 1 13 13 THR HG21 H 1 1.200 0.003 . 1 . . . . . 236 Thr HG21 . 27397 1 78 . 1 . 1 13 13 THR HG22 H 1 1.200 0.003 . 1 . . . . . 236 Thr HG22 . 27397 1 79 . 1 . 1 13 13 THR HG23 H 1 1.200 0.003 . 1 . . . . . 236 Thr HG23 . 27397 1 80 . 1 . 1 13 13 THR C C 13 175.052 0.000 . 1 . . . . . 236 Thr C . 27397 1 81 . 1 . 1 13 13 THR CA C 13 62.625 0.030 . 1 . . . . . 236 Thr CA . 27397 1 82 . 1 . 1 13 13 THR CB C 13 69.166 0.109 . 1 . . . . . 236 Thr CB . 27397 1 83 . 1 . 1 13 13 THR CG2 C 13 21.329 0.059 . 1 . . . . . 236 Thr CG2 . 27397 1 84 . 1 . 1 13 13 THR N N 15 116.713 0.018 . 1 . . . . . 236 Thr N . 27397 1 85 . 1 . 1 14 14 GLU H H 1 8.425 0.004 . 1 . . . . . 237 Glu H . 27397 1 86 . 1 . 1 14 14 GLU HA H 1 4.213 0.007 . 1 . . . . . 237 Glu HA . 27397 1 87 . 1 . 1 14 14 GLU HB2 H 1 2.016 0.010 . 2 . . . . . 237 Glu HB2 . 27397 1 88 . 1 . 1 14 14 GLU HB3 H 1 1.952 0.003 . 2 . . . . . 237 Glu HB3 . 27397 1 89 . 1 . 1 14 14 GLU HG2 H 1 2.241 0.005 . 2 . . . . . 237 Glu HG2 . 27397 1 90 . 1 . 1 14 14 GLU HG3 H 1 2.239 0.006 . 2 . . . . . 237 Glu HG3 . 27397 1 91 . 1 . 1 14 14 GLU C C 13 176.868 0.000 . 1 . . . . . 237 Glu C . 27397 1 92 . 1 . 1 14 14 GLU CA C 13 56.773 0.075 . 1 . . . . . 237 Glu CA . 27397 1 93 . 1 . 1 14 14 GLU CB C 13 29.695 0.020 . 1 . . . . . 237 Glu CB . 27397 1 94 . 1 . 1 14 14 GLU CG C 13 35.922 0.041 . 1 . . . . . 237 Glu CG . 27397 1 95 . 1 . 1 14 14 GLU N N 15 123.301 0.055 . 1 . . . . . 237 Glu N . 27397 1 96 . 1 . 1 15 15 ARG H H 1 8.283 0.007 . 1 . . . . . 238 Arg H . 27397 1 97 . 1 . 1 15 15 ARG HA H 1 4.257 0.015 . 1 . . . . . 238 Arg HA . 27397 1 98 . 1 . 1 15 15 ARG HB2 H 1 1.815 0.015 . 2 . . . . . 238 Arg HB2 . 27397 1 99 . 1 . 1 15 15 ARG HB3 H 1 1.766 0.018 . 2 . . . . . 238 Arg HB3 . 27397 1 100 . 1 . 1 15 15 ARG HG2 H 1 1.620 0.004 . 1 . . . . . 238 Arg HG2 . 27397 1 101 . 1 . 1 15 15 ARG HG3 H 1 1.620 0.004 . 1 . . . . . 238 Arg HG3 . 27397 1 102 . 1 . 1 15 15 ARG HD2 H 1 3.168 0.004 . 2 . . . . . 238 Arg HD2 . 27397 1 103 . 1 . 1 15 15 ARG HD3 H 1 3.175 0.006 . 2 . . . . . 238 Arg HD3 . 27397 1 104 . 1 . 1 15 15 ARG C C 13 176.627 0.000 . 1 . . . . . 238 Arg C . 27397 1 105 . 1 . 1 15 15 ARG CA C 13 56.138 0.060 . 1 . . . . . 238 Arg CA . 27397 1 106 . 1 . 1 15 15 ARG CB C 13 30.320 0.046 . 1 . . . . . 238 Arg CB . 27397 1 107 . 1 . 1 15 15 ARG CG C 13 26.762 0.011 . 1 . . . . . 238 Arg CG . 27397 1 108 . 1 . 1 15 15 ARG CD C 13 42.901 0.057 . 1 . . . . . 238 Arg CD . 27397 1 109 . 1 . 1 15 15 ARG N N 15 122.036 0.063 . 1 . . . . . 238 Arg N . 27397 1 110 . 1 . 1 16 16 GLN H H 1 8.389 0.007 . 1 . . . . . 239 Gln H . 27397 1 111 . 1 . 1 16 16 GLN HA H 1 4.235 0.010 . 1 . . . . . 239 Gln HA . 27397 1 112 . 1 . 1 16 16 GLN HB2 H 1 2.000 0.010 . 2 . . . . . 239 Gln HB2 . 27397 1 113 . 1 . 1 16 16 GLN HB3 H 1 2.059 0.013 . 2 . . . . . 239 Gln HB3 . 27397 1 114 . 1 . 1 16 16 GLN HG2 H 1 2.360 0.003 . 2 . . . . . 239 Gln HG2 . 27397 1 115 . 1 . 1 16 16 GLN HG3 H 1 2.359 0.003 . 2 . . . . . 239 Gln HG3 . 27397 1 116 . 1 . 1 16 16 GLN C C 13 176.478 0.000 . 1 . . . . . 239 Gln C . 27397 1 117 . 1 . 1 16 16 GLN CA C 13 56.043 0.062 . 1 . . . . . 239 Gln CA . 27397 1 118 . 1 . 1 16 16 GLN CB C 13 30.399 0.000 . 1 . . . . . 239 Gln CB . 27397 1 119 . 1 . 1 16 16 GLN CG C 13 33.443 0.025 . 1 . . . . . 239 Gln CG . 27397 1 120 . 1 . 1 16 16 GLN N N 15 121.421 0.120 . 1 . . . . . 239 Gln N . 27397 1 121 . 1 . 1 17 17 GLN H H 1 8.380 0.005 . 1 . . . . . 240 Gln H . 27397 1 122 . 1 . 1 17 17 GLN HA H 1 4.235 0.004 . 1 . . . . . 240 Gln HA . 27397 1 123 . 1 . 1 17 17 GLN HB2 H 1 2.029 0.031 . 2 . . . . . 240 Gln HB2 . 27397 1 124 . 1 . 1 17 17 GLN HB3 H 1 2.048 0.025 . 2 . . . . . 240 Gln HB3 . 27397 1 125 . 1 . 1 17 17 GLN HG2 H 1 2.364 0.005 . 1 . . . . . 240 Gln HG2 . 27397 1 126 . 1 . 1 17 17 GLN HG3 H 1 2.364 0.005 . 1 . . . . . 240 Gln HG3 . 27397 1 127 . 1 . 1 17 17 GLN HE21 H 1 7.549 0.000 . 1 . . . . . 240 Gln HE21 . 27397 1 128 . 1 . 1 17 17 GLN HE22 H 1 6.903 0.000 . 1 . . . . . 240 Gln HE22 . 27397 1 129 . 1 . 1 17 17 GLN C C 13 175.819 0.000 . 1 . . . . . 240 Gln C . 27397 1 130 . 1 . 1 17 17 GLN CA C 13 55.795 0.029 . 1 . . . . . 240 Gln CA . 27397 1 131 . 1 . 1 17 17 GLN CB C 13 28.702 0.181 . 1 . . . . . 240 Gln CB . 27397 1 132 . 1 . 1 17 17 GLN CG C 13 33.428 0.011 . 1 . . . . . 240 Gln CG . 27397 1 133 . 1 . 1 17 17 GLN N N 15 121.551 0.093 . 1 . . . . . 240 Gln N . 27397 1 134 . 1 . 1 17 17 GLN NE2 N 15 111.721 0.006 . 1 . . . . . 240 Gln NE2 . 27397 1 135 . 1 . 1 18 18 ALA H H 1 8.292 0.006 . 1 . . . . . 241 Ala H . 27397 1 136 . 1 . 1 18 18 ALA HA H 1 4.261 0.005 . 1 . . . . . 241 Ala HA . 27397 1 137 . 1 . 1 18 18 ALA HB1 H 1 1.370 0.003 . 1 . . . . . 241 Ala HB1 . 27397 1 138 . 1 . 1 18 18 ALA HB2 H 1 1.370 0.003 . 1 . . . . . 241 Ala HB2 . 27397 1 139 . 1 . 1 18 18 ALA HB3 H 1 1.370 0.003 . 1 . . . . . 241 Ala HB3 . 27397 1 140 . 1 . 1 18 18 ALA C C 13 177.947 0.000 . 1 . . . . . 241 Ala C . 27397 1 141 . 1 . 1 18 18 ALA CA C 13 52.141 0.141 . 1 . . . . . 241 Ala CA . 27397 1 142 . 1 . 1 18 18 ALA CB C 13 18.762 0.043 . 1 . . . . . 241 Ala CB . 27397 1 143 . 1 . 1 18 18 ALA N N 15 125.113 0.098 . 1 . . . . . 241 Ala N . 27397 1 144 . 1 . 1 19 19 LEU H H 1 8.183 0.006 . 1 . . . . . 242 Leu H . 27397 1 145 . 1 . 1 19 19 LEU HA H 1 4.283 0.010 . 1 . . . . . 242 Leu HA . 27397 1 146 . 1 . 1 19 19 LEU HB2 H 1 1.637 0.002 . 2 . . . . . 242 Leu HB2 . 27397 1 147 . 1 . 1 19 19 LEU HB3 H 1 1.564 0.002 . 2 . . . . . 242 Leu HB3 . 27397 1 148 . 1 . 1 19 19 LEU HG H 1 1.630 0.000 . 1 . . . . . 242 Leu HG . 27397 1 149 . 1 . 1 19 19 LEU HD11 H 1 0.874 0.013 . 2 . . . . . 242 Leu HD11 . 27397 1 150 . 1 . 1 19 19 LEU HD12 H 1 0.874 0.013 . 2 . . . . . 242 Leu HD12 . 27397 1 151 . 1 . 1 19 19 LEU HD13 H 1 0.874 0.013 . 2 . . . . . 242 Leu HD13 . 27397 1 152 . 1 . 1 19 19 LEU HD21 H 1 0.875 0.013 . 2 . . . . . 242 Leu HD21 . 27397 1 153 . 1 . 1 19 19 LEU HD22 H 1 0.875 0.013 . 2 . . . . . 242 Leu HD22 . 27397 1 154 . 1 . 1 19 19 LEU HD23 H 1 0.875 0.013 . 2 . . . . . 242 Leu HD23 . 27397 1 155 . 1 . 1 19 19 LEU C C 13 177.504 0.000 . 1 . . . . . 242 Leu C . 27397 1 156 . 1 . 1 19 19 LEU CA C 13 54.861 0.024 . 1 . . . . . 242 Leu CA . 27397 1 157 . 1 . 1 19 19 LEU CB C 13 41.913 0.008 . 1 . . . . . 242 Leu CB . 27397 1 158 . 1 . 1 19 19 LEU CG C 13 26.685 0.004 . 1 . . . . . 242 Leu CG . 27397 1 159 . 1 . 1 19 19 LEU CD1 C 13 23.212 0.113 . 2 . . . . . 242 Leu CD1 . 27397 1 160 . 1 . 1 19 19 LEU CD2 C 13 24.508 0.116 . 2 . . . . . 242 Leu CD2 . 27397 1 161 . 1 . 1 19 19 LEU N N 15 121.556 0.067 . 1 . . . . . 242 Leu N . 27397 1 162 . 1 . 1 20 20 ALA H H 1 8.206 0.006 . 1 . . . . . 243 Ala H . 27397 1 163 . 1 . 1 20 20 ALA HA H 1 4.261 0.007 . 1 . . . . . 243 Ala HA . 27397 1 164 . 1 . 1 20 20 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 243 Ala HB1 . 27397 1 165 . 1 . 1 20 20 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 243 Ala HB2 . 27397 1 166 . 1 . 1 20 20 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 243 Ala HB3 . 27397 1 167 . 1 . 1 20 20 ALA C C 13 177.678 0.000 . 1 . . . . . 243 Ala C . 27397 1 168 . 1 . 1 20 20 ALA CA C 13 52.292 0.056 . 1 . . . . . 243 Ala CA . 27397 1 169 . 1 . 1 20 20 ALA CB C 13 18.771 0.031 . 1 . . . . . 243 Ala CB . 27397 1 170 . 1 . 1 20 20 ALA N N 15 124.351 0.050 . 1 . . . . . 243 Ala N . 27397 1 171 . 1 . 1 21 21 ASP H H 1 8.206 0.004 . 1 . . . . . 244 Asp H . 27397 1 172 . 1 . 1 21 21 ASP HA H 1 4.540 0.004 . 1 . . . . . 244 Asp HA . 27397 1 173 . 1 . 1 21 21 ASP HB2 H 1 2.668 0.004 . 2 . . . . . 244 Asp HB2 . 27397 1 174 . 1 . 1 21 21 ASP HB3 H 1 2.613 0.037 . 2 . . . . . 244 Asp HB3 . 27397 1 175 . 1 . 1 21 21 ASP C C 13 176.353 0.000 . 1 . . . . . 244 Asp C . 27397 1 176 . 1 . 1 21 21 ASP CA C 13 54.102 0.127 . 1 . . . . . 244 Asp CA . 27397 1 177 . 1 . 1 21 21 ASP CB C 13 40.790 0.030 . 1 . . . . . 244 Asp CB . 27397 1 178 . 1 . 1 21 21 ASP N N 15 119.146 0.033 . 1 . . . . . 244 Asp N . 27397 1 179 . 1 . 1 22 22 GLU H H 1 8.215 0.003 . 1 . . . . . 245 Glu H . 27397 1 180 . 1 . 1 22 22 GLU HA H 1 4.287 0.007 . 1 . . . . . 245 Glu HA . 27397 1 181 . 1 . 1 22 22 GLU HB2 H 1 2.043 0.003 . 2 . . . . . 245 Glu HB2 . 27397 1 182 . 1 . 1 22 22 GLU HB3 H 1 1.943 0.006 . 2 . . . . . 245 Glu HB3 . 27397 1 183 . 1 . 1 22 22 GLU HG2 H 1 2.225 0.021 . 2 . . . . . 245 Glu HG2 . 27397 1 184 . 1 . 1 22 22 GLU HG3 H 1 2.253 0.013 . 2 . . . . . 245 Glu HG3 . 27397 1 185 . 1 . 1 22 22 GLU C C 13 176.717 0.000 . 1 . . . . . 245 Glu C . 27397 1 186 . 1 . 1 22 22 GLU CA C 13 56.173 0.133 . 1 . . . . . 245 Glu CA . 27397 1 187 . 1 . 1 22 22 GLU CB C 13 30.098 0.032 . 1 . . . . . 245 Glu CB . 27397 1 188 . 1 . 1 22 22 GLU CG C 13 35.945 0.013 . 1 . . . . . 245 Glu CG . 27397 1 189 . 1 . 1 22 22 GLU N N 15 120.859 0.046 . 1 . . . . . 245 Glu N . 27397 1 190 . 1 . 1 23 23 VAL H H 1 8.159 0.004 . 1 . . . . . 246 Val H . 27397 1 191 . 1 . 1 23 23 VAL HA H 1 4.114 0.004 . 1 . . . . . 246 Val HA . 27397 1 192 . 1 . 1 23 23 VAL HB H 1 2.100 0.003 . 1 . . . . . 246 Val HB . 27397 1 193 . 1 . 1 23 23 VAL HG11 H 1 0.955 0.005 . 1 . . . . . 246 Val HG11 . 27397 1 194 . 1 . 1 23 23 VAL HG12 H 1 0.955 0.005 . 1 . . . . . 246 Val HG12 . 27397 1 195 . 1 . 1 23 23 VAL HG13 H 1 0.955 0.005 . 1 . . . . . 246 Val HG13 . 27397 1 196 . 1 . 1 23 23 VAL HG21 H 1 0.956 0.005 . 1 . . . . . 246 Val HG21 . 27397 1 197 . 1 . 1 23 23 VAL HG22 H 1 0.956 0.005 . 1 . . . . . 246 Val HG22 . 27397 1 198 . 1 . 1 23 23 VAL HG23 H 1 0.956 0.005 . 1 . . . . . 246 Val HG23 . 27397 1 199 . 1 . 1 23 23 VAL C C 13 176.840 0.000 . 1 . . . . . 246 Val C . 27397 1 200 . 1 . 1 23 23 VAL CA C 13 62.218 0.035 . 1 . . . . . 246 Val CA . 27397 1 201 . 1 . 1 23 23 VAL CB C 13 32.348 0.021 . 1 . . . . . 246 Val CB . 27397 1 202 . 1 . 1 23 23 VAL CG1 C 13 20.789 0.012 . 1 . . . . . 246 Val CG1 . 27397 1 203 . 1 . 1 23 23 VAL CG2 C 13 20.789 0.012 . 1 . . . . . 246 Val CG2 . 27397 1 204 . 1 . 1 23 23 VAL N N 15 120.686 0.067 . 1 . . . . . 246 Val N . 27397 1 205 . 1 . 1 24 24 GLY H H 1 8.564 0.004 . 1 . . . . . 247 Gly H . 27397 1 206 . 1 . 1 24 24 GLY HA2 H 1 4.019 0.008 . 1 . . . . . 247 Gly HA2 . 27397 1 207 . 1 . 1 24 24 GLY HA3 H 1 4.019 0.008 . 1 . . . . . 247 Gly HA3 . 27397 1 208 . 1 . 1 24 24 GLY C C 13 174.509 0.000 . 1 . . . . . 247 Gly C . 27397 1 209 . 1 . 1 24 24 GLY CA C 13 44.955 0.062 . 1 . . . . . 247 Gly CA . 27397 1 210 . 1 . 1 24 24 GLY N N 15 112.659 0.044 . 1 . . . . . 247 Gly N . 27397 1 211 . 1 . 1 25 25 SER H H 1 8.302 0.006 . 1 . . . . . 248 Ser H . 27397 1 212 . 1 . 1 25 25 SER HA H 1 4.437 0.003 . 1 . . . . . 248 Ser HA . 27397 1 213 . 1 . 1 25 25 SER HB2 H 1 3.875 0.004 . 1 . . . . . 248 Ser HB2 . 27397 1 214 . 1 . 1 25 25 SER HB3 H 1 3.875 0.004 . 1 . . . . . 248 Ser HB3 . 27397 1 215 . 1 . 1 25 25 SER C C 13 175.062 0.000 . 1 . . . . . 248 Ser C . 27397 1 216 . 1 . 1 25 25 SER CA C 13 58.258 0.025 . 1 . . . . . 248 Ser CA . 27397 1 217 . 1 . 1 25 25 SER CB C 13 63.404 0.000 . 1 . . . . . 248 Ser CB . 27397 1 218 . 1 . 1 25 25 SER N N 15 115.960 0.041 . 1 . . . . . 248 Ser N . 27397 1 219 . 1 . 1 26 26 GLU H H 1 8.831 0.006 . 1 . . . . . 249 Glu H . 27397 1 220 . 1 . 1 26 26 GLU HA H 1 4.324 0.004 . 1 . . . . . 249 Glu HA . 27397 1 221 . 1 . 1 26 26 GLU HB2 H 1 2.093 0.009 . 2 . . . . . 249 Glu HB2 . 27397 1 222 . 1 . 1 26 26 GLU HB3 H 1 1.971 0.005 . 2 . . . . . 249 Glu HB3 . 27397 1 223 . 1 . 1 26 26 GLU HG2 H 1 2.322 0.014 . 2 . . . . . 249 Glu HG2 . 27397 1 224 . 1 . 1 26 26 GLU HG3 H 1 2.265 0.012 . 2 . . . . . 249 Glu HG3 . 27397 1 225 . 1 . 1 26 26 GLU C C 13 177.138 0.000 . 1 . . . . . 249 Glu C . 27397 1 226 . 1 . 1 26 26 GLU CA C 13 56.915 0.062 . 1 . . . . . 249 Glu CA . 27397 1 227 . 1 . 1 26 26 GLU CB C 13 29.353 0.015 . 1 . . . . . 249 Glu CB . 27397 1 228 . 1 . 1 26 26 GLU CG C 13 35.951 0.042 . 1 . . . . . 249 Glu CG . 27397 1 229 . 1 . 1 26 26 GLU N N 15 123.253 0.040 . 1 . . . . . 249 Glu N . 27397 1 230 . 1 . 1 27 27 VAL H H 1 8.207 0.009 . 1 . . . . . 250 Val H . 27397 1 231 . 1 . 1 27 27 VAL HA H 1 4.093 0.023 . 1 . . . . . 250 Val HA . 27397 1 232 . 1 . 1 27 27 VAL HB H 1 2.135 0.010 . 1 . . . . . 250 Val HB . 27397 1 233 . 1 . 1 27 27 VAL HG11 H 1 0.900 0.011 . 2 . . . . . 250 Val HG11 . 27397 1 234 . 1 . 1 27 27 VAL HG12 H 1 0.900 0.011 . 2 . . . . . 250 Val HG12 . 27397 1 235 . 1 . 1 27 27 VAL HG13 H 1 0.900 0.011 . 2 . . . . . 250 Val HG13 . 27397 1 236 . 1 . 1 27 27 VAL HG21 H 1 0.942 0.008 . 2 . . . . . 250 Val HG21 . 27397 1 237 . 1 . 1 27 27 VAL HG22 H 1 0.942 0.008 . 2 . . . . . 250 Val HG22 . 27397 1 238 . 1 . 1 27 27 VAL HG23 H 1 0.942 0.008 . 2 . . . . . 250 Val HG23 . 27397 1 239 . 1 . 1 27 27 VAL C C 13 176.337 0.000 . 1 . . . . . 250 Val C . 27397 1 240 . 1 . 1 27 27 VAL CA C 13 62.894 0.077 . 1 . . . . . 250 Val CA . 27397 1 241 . 1 . 1 27 27 VAL CB C 13 32.313 0.044 . 1 . . . . . 250 Val CB . 27397 1 242 . 1 . 1 27 27 VAL CG1 C 13 20.994 0.009 . 2 . . . . . 250 Val CG1 . 27397 1 243 . 1 . 1 27 27 VAL CG2 C 13 20.272 0.023 . 2 . . . . . 250 Val CG2 . 27397 1 244 . 1 . 1 27 27 VAL N N 15 119.701 0.063 . 1 . . . . . 250 Val N . 27397 1 245 . 1 . 1 28 28 THR H H 1 7.864 0.006 . 1 . . . . . 251 Thr H . 27397 1 246 . 1 . 1 28 28 THR HA H 1 4.327 0.012 . 1 . . . . . 251 Thr HA . 27397 1 247 . 1 . 1 28 28 THR HB H 1 4.321 0.007 . 1 . . . . . 251 Thr HB . 27397 1 248 . 1 . 1 28 28 THR HG21 H 1 1.180 0.004 . 1 . . . . . 251 Thr HG21 . 27397 1 249 . 1 . 1 28 28 THR HG22 H 1 1.180 0.004 . 1 . . . . . 251 Thr HG22 . 27397 1 250 . 1 . 1 28 28 THR HG23 H 1 1.180 0.004 . 1 . . . . . 251 Thr HG23 . 27397 1 251 . 1 . 1 28 28 THR C C 13 174.778 0.000 . 1 . . . . . 251 Thr C . 27397 1 252 . 1 . 1 28 28 THR CA C 13 61.441 0.073 . 1 . . . . . 251 Thr CA . 27397 1 253 . 1 . 1 28 28 THR CB C 13 69.601 0.044 . 1 . . . . . 251 Thr CB . 27397 1 254 . 1 . 1 28 28 THR CG2 C 13 21.921 0.034 . 1 . . . . . 251 Thr CG2 . 27397 1 255 . 1 . 1 28 28 THR N N 15 113.849 0.057 . 1 . . . . . 251 Thr N . 27397 1 256 . 1 . 1 29 29 GLY H H 1 8.396 0.013 . 1 . . . . . 252 Gly H . 27397 1 257 . 1 . 1 29 29 GLY HA2 H 1 4.292 0.014 . 2 . . . . . 252 Gly HA2 . 27397 1 258 . 1 . 1 29 29 GLY HA3 H 1 3.862 0.012 . 2 . . . . . 252 Gly HA3 . 27397 1 259 . 1 . 1 29 29 GLY C C 13 175.839 0.000 . 1 . . . . . 252 Gly C . 27397 1 260 . 1 . 1 29 29 GLY CA C 13 45.603 0.091 . 1 . . . . . 252 Gly CA . 27397 1 261 . 1 . 1 29 29 GLY N N 15 109.589 0.087 . 1 . . . . . 252 Gly N . 27397 1 262 . 1 . 1 30 30 SER H H 1 8.416 0.011 . 1 . . . . . 253 Ser H . 27397 1 263 . 1 . 1 30 30 SER HA H 1 4.309 0.004 . 1 . . . . . 253 Ser HA . 27397 1 264 . 1 . 1 30 30 SER HB2 H 1 3.908 0.009 . 2 . . . . . 253 Ser HB2 . 27397 1 265 . 1 . 1 30 30 SER HB3 H 1 3.990 0.036 . 2 . . . . . 253 Ser HB3 . 27397 1 266 . 1 . 1 30 30 SER C C 13 176.043 0.000 . 1 . . . . . 253 Ser C . 27397 1 267 . 1 . 1 30 30 SER CA C 13 59.925 0.025 . 1 . . . . . 253 Ser CA . 27397 1 268 . 1 . 1 30 30 SER CB C 13 62.985 0.053 . 1 . . . . . 253 Ser CB . 27397 1 269 . 1 . 1 30 30 SER N N 15 116.176 0.031 . 1 . . . . . 253 Ser N . 27397 1 270 . 1 . 1 31 31 LEU H H 1 7.894 0.005 . 1 . . . . . 254 Leu H . 27397 1 271 . 1 . 1 31 31 LEU HA H 1 4.598 0.013 . 1 . . . . . 254 Leu HA . 27397 1 272 . 1 . 1 31 31 LEU HB2 H 1 1.452 0.018 . 1 . . . . . 254 Leu HB2 . 27397 1 273 . 1 . 1 31 31 LEU HD11 H 1 0.696 0.018 . 2 . . . . . 254 Leu HD11 . 27397 1 274 . 1 . 1 31 31 LEU HD12 H 1 0.696 0.018 . 2 . . . . . 254 Leu HD12 . 27397 1 275 . 1 . 1 31 31 LEU HD13 H 1 0.696 0.018 . 2 . . . . . 254 Leu HD13 . 27397 1 276 . 1 . 1 31 31 LEU HD21 H 1 0.679 0.010 . 2 . . . . . 254 Leu HD21 . 27397 1 277 . 1 . 1 31 31 LEU HD22 H 1 0.679 0.010 . 2 . . . . . 254 Leu HD22 . 27397 1 278 . 1 . 1 31 31 LEU HD23 H 1 0.679 0.010 . 2 . . . . . 254 Leu HD23 . 27397 1 279 . 1 . 1 31 31 LEU C C 13 176.907 0.000 . 1 . . . . . 254 Leu C . 27397 1 280 . 1 . 1 31 31 LEU CA C 13 54.724 0.028 . 1 . . . . . 254 Leu CA . 27397 1 281 . 1 . 1 31 31 LEU CB C 13 41.168 0.052 . 1 . . . . . 254 Leu CB . 27397 1 282 . 1 . 1 31 31 LEU CD2 C 13 25.902 0.061 . 1 . . . . . 254 Leu CD2 . 27397 1 283 . 1 . 1 31 31 LEU N N 15 122.957 0.068 . 1 . . . . . 254 Leu N . 27397 1 284 . 1 . 1 32 32 ASP H H 1 8.000 0.006 . 1 . . . . . 255 Asp H . 27397 1 285 . 1 . 1 32 32 ASP HA H 1 4.268 0.012 . 1 . . . . . 255 Asp HA . 27397 1 286 . 1 . 1 32 32 ASP HB2 H 1 2.863 0.006 . 2 . . . . . 255 Asp HB2 . 27397 1 287 . 1 . 1 32 32 ASP HB3 H 1 2.757 0.006 . 2 . . . . . 255 Asp HB3 . 27397 1 288 . 1 . 1 32 32 ASP C C 13 177.505 0.000 . 1 . . . . . 255 Asp C . 27397 1 289 . 1 . 1 32 32 ASP CA C 13 57.763 0.016 . 1 . . . . . 255 Asp CA . 27397 1 290 . 1 . 1 32 32 ASP CB C 13 39.514 0.052 . 1 . . . . . 255 Asp CB . 27397 1 291 . 1 . 1 32 32 ASP N N 15 121.667 0.052 . 1 . . . . . 255 Asp N . 27397 1 292 . 1 . 1 33 33 ASP H H 1 8.087 0.011 . 1 . . . . . 256 Asp H . 27397 1 293 . 1 . 1 33 33 ASP HA H 1 4.293 0.004 . 1 . . . . . 256 Asp HA . 27397 1 294 . 1 . 1 33 33 ASP HB2 H 1 2.597 0.009 . 2 . . . . . 256 Asp HB2 . 27397 1 295 . 1 . 1 33 33 ASP HB3 H 1 2.648 0.023 . 2 . . . . . 256 Asp HB3 . 27397 1 296 . 1 . 1 33 33 ASP C C 13 178.405 0.000 . 1 . . . . . 256 Asp C . 27397 1 297 . 1 . 1 33 33 ASP CA C 13 56.682 0.039 . 1 . . . . . 256 Asp CA . 27397 1 298 . 1 . 1 33 33 ASP CB C 13 39.702 0.033 . 1 . . . . . 256 Asp CB . 27397 1 299 . 1 . 1 33 33 ASP N N 15 117.554 0.055 . 1 . . . . . 256 Asp N . 27397 1 300 . 1 . 1 34 34 LEU H H 1 7.684 0.003 . 1 . . . . . 257 Leu H . 27397 1 301 . 1 . 1 34 34 LEU HA H 1 4.168 0.007 . 1 . . . . . 257 Leu HA . 27397 1 302 . 1 . 1 34 34 LEU HB2 H 1 2.003 0.006 . 2 . . . . . 257 Leu HB2 . 27397 1 303 . 1 . 1 34 34 LEU HB3 H 1 1.604 0.006 . 2 . . . . . 257 Leu HB3 . 27397 1 304 . 1 . 1 34 34 LEU HG H 1 1.466 0.003 . 1 . . . . . 257 Leu HG . 27397 1 305 . 1 . 1 34 34 LEU HD11 H 1 0.797 0.011 . 2 . . . . . 257 Leu HD11 . 27397 1 306 . 1 . 1 34 34 LEU HD12 H 1 0.797 0.011 . 2 . . . . . 257 Leu HD12 . 27397 1 307 . 1 . 1 34 34 LEU HD13 H 1 0.797 0.011 . 2 . . . . . 257 Leu HD13 . 27397 1 308 . 1 . 1 34 34 LEU HD21 H 1 0.919 0.010 . 2 . . . . . 257 Leu HD21 . 27397 1 309 . 1 . 1 34 34 LEU HD22 H 1 0.919 0.010 . 2 . . . . . 257 Leu HD22 . 27397 1 310 . 1 . 1 34 34 LEU HD23 H 1 0.919 0.010 . 2 . . . . . 257 Leu HD23 . 27397 1 311 . 1 . 1 34 34 LEU C C 13 178.290 0.000 . 1 . . . . . 257 Leu C . 27397 1 312 . 1 . 1 34 34 LEU CA C 13 57.843 0.041 . 1 . . . . . 257 Leu CA . 27397 1 313 . 1 . 1 34 34 LEU CB C 13 41.161 0.035 . 1 . . . . . 257 Leu CB . 27397 1 314 . 1 . 1 34 34 LEU CG C 13 26.827 0.038 . 1 . . . . . 257 Leu CG . 27397 1 315 . 1 . 1 34 34 LEU CD1 C 13 25.926 0.041 . 1 . . . . . 257 Leu CD1 . 27397 1 316 . 1 . 1 34 34 LEU N N 15 123.030 0.016 . 1 . . . . . 257 Leu N . 27397 1 317 . 1 . 1 35 35 ILE H H 1 8.057 0.005 . 1 . . . . . 258 Ile H . 27397 1 318 . 1 . 1 35 35 ILE HA H 1 3.380 0.008 . 1 . . . . . 258 Ile HA . 27397 1 319 . 1 . 1 35 35 ILE HB H 1 1.919 0.032 . 1 . . . . . 258 Ile HB . 27397 1 320 . 1 . 1 35 35 ILE HG12 H 1 0.706 0.005 . 2 . . . . . 258 Ile HG12 . 27397 1 321 . 1 . 1 35 35 ILE HG13 H 1 1.911 0.004 . 2 . . . . . 258 Ile HG13 . 27397 1 322 . 1 . 1 35 35 ILE HG21 H 1 0.650 0.007 . 1 . . . . . 258 Ile HG21 . 27397 1 323 . 1 . 1 35 35 ILE HG22 H 1 0.650 0.007 . 1 . . . . . 258 Ile HG22 . 27397 1 324 . 1 . 1 35 35 ILE HG23 H 1 0.650 0.007 . 1 . . . . . 258 Ile HG23 . 27397 1 325 . 1 . 1 35 35 ILE HD11 H 1 0.708 0.009 . 1 . . . . . 258 Ile HD11 . 27397 1 326 . 1 . 1 35 35 ILE HD12 H 1 0.708 0.009 . 1 . . . . . 258 Ile HD12 . 27397 1 327 . 1 . 1 35 35 ILE HD13 H 1 0.708 0.009 . 1 . . . . . 258 Ile HD13 . 27397 1 328 . 1 . 1 35 35 ILE C C 13 177.501 0.000 . 1 . . . . . 258 Ile C . 27397 1 329 . 1 . 1 35 35 ILE CA C 13 66.521 0.073 . 1 . . . . . 258 Ile CA . 27397 1 330 . 1 . 1 35 35 ILE CB C 13 37.374 0.026 . 1 . . . . . 258 Ile CB . 27397 1 331 . 1 . 1 35 35 ILE CG1 C 13 28.706 0.023 . 1 . . . . . 258 Ile CG1 . 27397 1 332 . 1 . 1 35 35 ILE CG2 C 13 16.616 0.030 . 1 . . . . . 258 Ile CG2 . 27397 1 333 . 1 . 1 35 35 ILE CD1 C 13 14.477 0.019 . 1 . . . . . 258 Ile CD1 . 27397 1 334 . 1 . 1 35 35 ILE N N 15 118.016 0.033 . 1 . . . . . 258 Ile N . 27397 1 335 . 1 . 1 36 36 VAL H H 1 7.941 0.007 . 1 . . . . . 259 Val H . 27397 1 336 . 1 . 1 36 36 VAL HA H 1 3.290 0.003 . 1 . . . . . 259 Val HA . 27397 1 337 . 1 . 1 36 36 VAL HB H 1 2.184 0.006 . 1 . . . . . 259 Val HB . 27397 1 338 . 1 . 1 36 36 VAL HG11 H 1 1.009 0.011 . 2 . . . . . 259 Val HG11 . 27397 1 339 . 1 . 1 36 36 VAL HG12 H 1 1.009 0.011 . 2 . . . . . 259 Val HG12 . 27397 1 340 . 1 . 1 36 36 VAL HG13 H 1 1.009 0.011 . 2 . . . . . 259 Val HG13 . 27397 1 341 . 1 . 1 36 36 VAL HG21 H 1 1.046 0.005 . 2 . . . . . 259 Val HG21 . 27397 1 342 . 1 . 1 36 36 VAL HG22 H 1 1.046 0.005 . 2 . . . . . 259 Val HG22 . 27397 1 343 . 1 . 1 36 36 VAL HG23 H 1 1.046 0.005 . 2 . . . . . 259 Val HG23 . 27397 1 344 . 1 . 1 36 36 VAL C C 13 179.007 0.000 . 1 . . . . . 259 Val C . 27397 1 345 . 1 . 1 36 36 VAL CA C 13 66.656 0.043 . 1 . . . . . 259 Val CA . 27397 1 346 . 1 . 1 36 36 VAL CB C 13 31.543 0.033 . 1 . . . . . 259 Val CB . 27397 1 347 . 1 . 1 36 36 VAL CG1 C 13 20.592 0.024 . 2 . . . . . 259 Val CG1 . 27397 1 348 . 1 . 1 36 36 VAL CG2 C 13 23.146 0.033 . 2 . . . . . 259 Val CG2 . 27397 1 349 . 1 . 1 36 36 VAL N N 15 117.824 0.068 . 1 . . . . . 259 Val N . 27397 1 350 . 1 . 1 37 37 ASN H H 1 8.336 0.004 . 1 . . . . . 260 Asn H . 27397 1 351 . 1 . 1 37 37 ASN HA H 1 4.390 0.008 . 1 . . . . . 260 Asn HA . 27397 1 352 . 1 . 1 37 37 ASN HB2 H 1 2.956 0.003 . 2 . . . . . 260 Asn HB2 . 27397 1 353 . 1 . 1 37 37 ASN HB3 H 1 2.837 0.002 . 2 . . . . . 260 Asn HB3 . 27397 1 354 . 1 . 1 37 37 ASN HD21 H 1 7.471 0.017 . 1 . . . . . 260 Asn HD21 . 27397 1 355 . 1 . 1 37 37 ASN HD22 H 1 6.890 0.009 . 1 . . . . . 260 Asn HD22 . 27397 1 356 . 1 . 1 37 37 ASN C C 13 177.667 0.000 . 1 . . . . . 260 Asn C . 27397 1 357 . 1 . 1 37 37 ASN CA C 13 56.725 0.003 . 1 . . . . . 260 Asn CA . 27397 1 358 . 1 . 1 37 37 ASN CB C 13 38.588 0.026 . 1 . . . . . 260 Asn CB . 27397 1 359 . 1 . 1 37 37 ASN N N 15 120.093 0.034 . 1 . . . . . 260 Asn N . 27397 1 360 . 1 . 1 37 37 ASN ND2 N 15 112.657 0.063 . 1 . . . . . 260 Asn ND2 . 27397 1 361 . 1 . 1 38 38 LEU H H 1 8.744 0.008 . 1 . . . . . 261 Leu H . 27397 1 362 . 1 . 1 38 38 LEU HA H 1 4.035 0.012 . 1 . . . . . 261 Leu HA . 27397 1 363 . 1 . 1 38 38 LEU HB2 H 1 1.937 0.043 . 2 . . . . . 261 Leu HB2 . 27397 1 364 . 1 . 1 38 38 LEU HB3 H 1 1.447 0.007 . 2 . . . . . 261 Leu HB3 . 27397 1 365 . 1 . 1 38 38 LEU HG H 1 2.010 0.006 . 1 . . . . . 261 Leu HG . 27397 1 366 . 1 . 1 38 38 LEU HD11 H 1 0.904 0.022 . 2 . . . . . 261 Leu HD11 . 27397 1 367 . 1 . 1 38 38 LEU HD12 H 1 0.904 0.022 . 2 . . . . . 261 Leu HD12 . 27397 1 368 . 1 . 1 38 38 LEU HD13 H 1 0.904 0.022 . 2 . . . . . 261 Leu HD13 . 27397 1 369 . 1 . 1 38 38 LEU HD21 H 1 0.916 0.013 . 2 . . . . . 261 Leu HD21 . 27397 1 370 . 1 . 1 38 38 LEU HD22 H 1 0.916 0.013 . 2 . . . . . 261 Leu HD22 . 27397 1 371 . 1 . 1 38 38 LEU HD23 H 1 0.916 0.013 . 2 . . . . . 261 Leu HD23 . 27397 1 372 . 1 . 1 38 38 LEU C C 13 180.182 0.000 . 1 . . . . . 261 Leu C . 27397 1 373 . 1 . 1 38 38 LEU CA C 13 57.720 0.043 . 1 . . . . . 261 Leu CA . 27397 1 374 . 1 . 1 38 38 LEU CB C 13 42.159 0.022 . 1 . . . . . 261 Leu CB . 27397 1 375 . 1 . 1 38 38 LEU CG C 13 26.302 0.076 . 1 . . . . . 261 Leu CG . 27397 1 376 . 1 . 1 38 38 LEU CD1 C 13 26.302 0.057 . 2 . . . . . 261 Leu CD1 . 27397 1 377 . 1 . 1 38 38 LEU CD2 C 13 21.544 0.026 . 2 . . . . . 261 Leu CD2 . 27397 1 378 . 1 . 1 38 38 LEU N N 15 119.454 0.033 . 1 . . . . . 261 Leu N . 27397 1 379 . 1 . 1 39 39 VAL H H 1 8.604 0.009 . 1 . . . . . 262 Val H . 27397 1 380 . 1 . 1 39 39 VAL HA H 1 3.437 0.005 . 1 . . . . . 262 Val HA . 27397 1 381 . 1 . 1 39 39 VAL HB H 1 2.004 0.005 . 1 . . . . . 262 Val HB . 27397 1 382 . 1 . 1 39 39 VAL HG11 H 1 0.909 0.033 . 2 . . . . . 262 Val HG11 . 27397 1 383 . 1 . 1 39 39 VAL HG12 H 1 0.909 0.033 . 2 . . . . . 262 Val HG12 . 27397 1 384 . 1 . 1 39 39 VAL HG13 H 1 0.909 0.033 . 2 . . . . . 262 Val HG13 . 27397 1 385 . 1 . 1 39 39 VAL HG21 H 1 0.746 0.021 . 2 . . . . . 262 Val HG21 . 27397 1 386 . 1 . 1 39 39 VAL HG22 H 1 0.746 0.021 . 2 . . . . . 262 Val HG22 . 27397 1 387 . 1 . 1 39 39 VAL HG23 H 1 0.746 0.021 . 2 . . . . . 262 Val HG23 . 27397 1 388 . 1 . 1 39 39 VAL C C 13 178.863 0.000 . 1 . . . . . 262 Val C . 27397 1 389 . 1 . 1 39 39 VAL CA C 13 65.859 0.038 . 1 . . . . . 262 Val CA . 27397 1 390 . 1 . 1 39 39 VAL CB C 13 31.509 0.060 . 1 . . . . . 262 Val CB . 27397 1 391 . 1 . 1 39 39 VAL CG1 C 13 23.220 0.035 . 2 . . . . . 262 Val CG1 . 27397 1 392 . 1 . 1 39 39 VAL CG2 C 13 24.053 0.030 . 2 . . . . . 262 Val CG2 . 27397 1 393 . 1 . 1 39 39 VAL N N 15 118.178 0.080 . 1 . . . . . 262 Val N . 27397 1 394 . 1 . 1 40 40 SER H H 1 8.449 0.006 . 1 . . . . . 263 Ser H . 27397 1 395 . 1 . 1 40 40 SER HA H 1 4.353 0.008 . 1 . . . . . 263 Ser HA . 27397 1 396 . 1 . 1 40 40 SER HB2 H 1 4.111 0.006 . 2 . . . . . 263 Ser HB2 . 27397 1 397 . 1 . 1 40 40 SER HB3 H 1 4.199 0.003 . 2 . . . . . 263 Ser HB3 . 27397 1 398 . 1 . 1 40 40 SER C C 13 176.899 0.000 . 1 . . . . . 263 Ser C . 27397 1 399 . 1 . 1 40 40 SER CA C 13 62.755 0.011 . 1 . . . . . 263 Ser CA . 27397 1 400 . 1 . 1 40 40 SER CB C 13 62.911 0.040 . 1 . . . . . 263 Ser CB . 27397 1 401 . 1 . 1 40 40 SER N N 15 115.458 0.040 . 1 . . . . . 263 Ser N . 27397 1 402 . 1 . 1 41 41 GLN H H 1 7.506 0.010 . 1 . . . . . 264 Gln H . 27397 1 403 . 1 . 1 41 41 GLN HA H 1 4.108 0.002 . 1 . . . . . 264 Gln HA . 27397 1 404 . 1 . 1 41 41 GLN HB2 H 1 2.207 0.012 . 1 . . . . . 264 Gln HB2 . 27397 1 405 . 1 . 1 41 41 GLN HB3 H 1 2.206 0.012 . 1 . . . . . 264 Gln HB3 . 27397 1 406 . 1 . 1 41 41 GLN HG2 H 1 2.555 0.002 . 1 . . . . . 264 Gln HG2 . 27397 1 407 . 1 . 1 41 41 GLN HG3 H 1 2.555 0.002 . 1 . . . . . 264 Gln HG3 . 27397 1 408 . 1 . 1 41 41 GLN C C 13 177.471 0.000 . 1 . . . . . 264 Gln C . 27397 1 409 . 1 . 1 41 41 GLN CA C 13 57.326 0.039 . 1 . . . . . 264 Gln CA . 27397 1 410 . 1 . 1 41 41 GLN CB C 13 28.698 0.013 . 1 . . . . . 264 Gln CB . 27397 1 411 . 1 . 1 41 41 GLN CG C 13 33.983 0.028 . 1 . . . . . 264 Gln CG . 27397 1 412 . 1 . 1 41 41 GLN N N 15 115.329 0.062 . 1 . . . . . 264 Gln N . 27397 1 413 . 1 . 1 42 42 GLN H H 1 7.492 0.013 . 1 . . . . . 265 Gln H . 27397 1 414 . 1 . 1 42 42 GLN HA H 1 4.478 0.006 . 1 . . . . . 265 Gln HA . 27397 1 415 . 1 . 1 42 42 GLN HB2 H 1 2.210 0.006 . 2 . . . . . 265 Gln HB2 . 27397 1 416 . 1 . 1 42 42 GLN HB3 H 1 2.665 0.014 . 2 . . . . . 265 Gln HB3 . 27397 1 417 . 1 . 1 42 42 GLN HG2 H 1 2.686 0.008 . 2 . . . . . 265 Gln HG2 . 27397 1 418 . 1 . 1 42 42 GLN HG3 H 1 2.219 0.009 . 2 . . . . . 265 Gln HG3 . 27397 1 419 . 1 . 1 42 42 GLN HE21 H 1 6.768 0.009 . 1 . . . . . 265 Gln HE21 . 27397 1 420 . 1 . 1 42 42 GLN HE22 H 1 7.882 0.010 . 1 . . . . . 265 Gln HE22 . 27397 1 421 . 1 . 1 42 42 GLN C C 13 175.947 0.000 . 1 . . . . . 265 Gln C . 27397 1 422 . 1 . 1 42 42 GLN CA C 13 53.796 0.069 . 1 . . . . . 265 Gln CA . 27397 1 423 . 1 . 1 42 42 GLN CB C 13 29.440 0.053 . 1 . . . . . 265 Gln CB . 27397 1 424 . 1 . 1 42 42 GLN CG C 13 31.932 0.163 . 1 . . . . . 265 Gln CG . 27397 1 425 . 1 . 1 42 42 GLN N N 15 115.329 0.065 . 1 . . . . . 265 Gln N . 27397 1 426 . 1 . 1 42 42 GLN NE2 N 15 113.434 0.057 . 1 . . . . . 265 Gln NE2 . 27397 1 427 . 1 . 1 43 43 TRP H H 1 7.745 0.006 . 1 . . . . . 266 Trp H . 27397 1 428 . 1 . 1 43 43 TRP HA H 1 4.984 0.003 . 1 . . . . . 266 Trp HA . 27397 1 429 . 1 . 1 43 43 TRP HB2 H 1 2.982 0.005 . 2 . . . . . 266 Trp HB2 . 27397 1 430 . 1 . 1 43 43 TRP HB3 H 1 3.780 0.005 . 2 . . . . . 266 Trp HB3 . 27397 1 431 . 1 . 1 43 43 TRP HD1 H 1 7.006 0.004 . 1 . . . . . 266 Trp HD1 . 27397 1 432 . 1 . 1 43 43 TRP HE1 H 1 10.068 0.002 . 1 . . . . . 266 Trp HE1 . 27397 1 433 . 1 . 1 43 43 TRP HE3 H 1 7.827 0.029 . 1 . . . . . 266 Trp HE3 . 27397 1 434 . 1 . 1 43 43 TRP HZ2 H 1 6.665 0.008 . 1 . . . . . 266 Trp HZ2 . 27397 1 435 . 1 . 1 43 43 TRP HZ3 H 1 6.628 0.003 . 1 . . . . . 266 Trp HZ3 . 27397 1 436 . 1 . 1 43 43 TRP HH2 H 1 6.914 0.001 . 1 . . . . . 266 Trp HH2 . 27397 1 437 . 1 . 1 43 43 TRP C C 13 172.774 0.000 . 1 . . . . . 266 Trp C . 27397 1 438 . 1 . 1 43 43 TRP CA C 13 55.558 0.038 . 1 . . . . . 266 Trp CA . 27397 1 439 . 1 . 1 43 43 TRP CB C 13 27.823 0.067 . 1 . . . . . 266 Trp CB . 27397 1 440 . 1 . 1 43 43 TRP CD1 C 13 126.236 0.000 . 1 . . . . . 266 Trp CD1 . 27397 1 441 . 1 . 1 43 43 TRP CE3 C 13 123.721 0.000 . 1 . . . . . 266 Trp CE3 . 27397 1 442 . 1 . 1 43 43 TRP CZ2 C 13 113.749 0.000 . 1 . . . . . 266 Trp CZ2 . 27397 1 443 . 1 . 1 43 43 TRP CZ3 C 13 119.959 0.000 . 1 . . . . . 266 Trp CZ3 . 27397 1 444 . 1 . 1 43 43 TRP CH2 C 13 122.732 0.000 . 1 . . . . . 266 Trp CH2 . 27397 1 445 . 1 . 1 43 43 TRP N N 15 122.077 0.048 . 1 . . . . . 266 Trp N . 27397 1 446 . 1 . 1 43 43 TRP NE1 N 15 128.291 0.035 . 1 . . . . . 266 Trp NE1 . 27397 1 447 . 1 . 1 44 44 ARG H H 1 8.223 0.013 . 1 . . . . . 267 Arg H . 27397 1 448 . 1 . 1 44 44 ARG HA H 1 4.553 0.008 . 1 . . . . . 267 Arg HA . 27397 1 449 . 1 . 1 44 44 ARG HB2 H 1 1.682 0.007 . 1 . . . . . 267 Arg HB2 . 27397 1 450 . 1 . 1 44 44 ARG HB3 H 1 1.682 0.007 . 1 . . . . . 267 Arg HB3 . 27397 1 451 . 1 . 1 44 44 ARG HG2 H 1 1.550 0.042 . 2 . . . . . 267 Arg HG2 . 27397 1 452 . 1 . 1 44 44 ARG HG3 H 1 1.495 0.006 . 2 . . . . . 267 Arg HG3 . 27397 1 453 . 1 . 1 44 44 ARG HD2 H 1 3.129 0.000 . 1 . . . . . 267 Arg HD2 . 27397 1 454 . 1 . 1 44 44 ARG HD3 H 1 3.129 0.000 . 1 . . . . . 267 Arg HD3 . 27397 1 455 . 1 . 1 44 44 ARG C C 13 175.661 0.000 . 1 . . . . . 267 Arg C . 27397 1 456 . 1 . 1 44 44 ARG CA C 13 53.370 0.065 . 1 . . . . . 267 Arg CA . 27397 1 457 . 1 . 1 44 44 ARG CB C 13 30.042 0.062 . 1 . . . . . 267 Arg CB . 27397 1 458 . 1 . 1 44 44 ARG CG C 13 26.897 0.033 . 1 . . . . . 267 Arg CG . 27397 1 459 . 1 . 1 44 44 ARG CD C 13 43.014 0.000 . 1 . . . . . 267 Arg CD . 27397 1 460 . 1 . 1 44 44 ARG N N 15 130.733 0.039 . 1 . . . . . 267 Arg N . 27397 1 461 . 1 . 1 45 45 ARG H H 1 8.873 0.006 . 1 . . . . . 268 Arg H . 27397 1 462 . 1 . 1 45 45 ARG HA H 1 3.967 0.008 . 1 . . . . . 268 Arg HA . 27397 1 463 . 1 . 1 45 45 ARG HB2 H 1 1.398 0.016 . 1 . . . . . 268 Arg HB2 . 27397 1 464 . 1 . 1 45 45 ARG HB3 H 1 1.330 0.076 . 1 . . . . . 268 Arg HB3 . 27397 1 465 . 1 . 1 45 45 ARG HG2 H 1 1.016 0.007 . 2 . . . . . 268 Arg HG2 . 27397 1 466 . 1 . 1 45 45 ARG HG3 H 1 1.016 0.007 . 2 . . . . . 268 Arg HG3 . 27397 1 467 . 1 . 1 45 45 ARG CA C 13 54.708 0.011 . 1 . . . . . 268 Arg CA . 27397 1 468 . 1 . 1 45 45 ARG CB C 13 27.330 0.000 . 1 . . . . . 268 Arg CB . 27397 1 469 . 1 . 1 45 45 ARG CG C 13 30.343 0.038 . 1 . . . . . 268 Arg CG . 27397 1 470 . 1 . 1 45 45 ARG N N 15 127.664 0.076 . 1 . . . . . 268 Arg N . 27397 1 471 . 1 . 1 46 46 PRO HA H 1 4.932 0.003 . 1 . . . . . 269 Pro HA . 27397 1 472 . 1 . 1 46 46 PRO HB2 H 1 2.311 0.005 . 2 . . . . . 269 Pro HB2 . 27397 1 473 . 1 . 1 46 46 PRO HB3 H 1 2.312 0.005 . 2 . . . . . 269 Pro HB3 . 27397 1 474 . 1 . 1 46 46 PRO HG2 H 1 1.762 0.005 . 2 . . . . . 269 Pro HG2 . 27397 1 475 . 1 . 1 46 46 PRO HG3 H 1 1.912 0.016 . 2 . . . . . 269 Pro HG3 . 27397 1 476 . 1 . 1 46 46 PRO HD2 H 1 3.438 0.004 . 2 . . . . . 269 Pro HD2 . 27397 1 477 . 1 . 1 46 46 PRO HD3 H 1 3.957 0.015 . 2 . . . . . 269 Pro HD3 . 27397 1 478 . 1 . 1 46 46 PRO CA C 13 60.853 0.004 . 1 . . . . . 269 Pro CA . 27397 1 479 . 1 . 1 46 46 PRO CB C 13 30.518 0.017 . 1 . . . . . 269 Pro CB . 27397 1 480 . 1 . 1 46 46 PRO CG C 13 25.227 0.051 . 1 . . . . . 269 Pro CG . 27397 1 481 . 1 . 1 46 46 PRO CD C 13 49.343 0.028 . 1 . . . . . 269 Pro CD . 27397 1 482 . 1 . 1 47 47 PRO HA H 1 4.340 0.004 . 1 . . . . . 270 Pro HA . 27397 1 483 . 1 . 1 47 47 PRO HB2 H 1 2.362 0.006 . 2 . . . . . 270 Pro HB2 . 27397 1 484 . 1 . 1 47 47 PRO HB3 H 1 1.954 0.006 . 2 . . . . . 270 Pro HB3 . 27397 1 485 . 1 . 1 47 47 PRO HG2 H 1 2.088 0.012 . 2 . . . . . 270 Pro HG2 . 27397 1 486 . 1 . 1 47 47 PRO HG3 H 1 2.026 0.029 . 2 . . . . . 270 Pro HG3 . 27397 1 487 . 1 . 1 47 47 PRO HD2 H 1 3.773 0.008 . 2 . . . . . 270 Pro HD2 . 27397 1 488 . 1 . 1 47 47 PRO HD3 H 1 3.770 0.011 . 2 . . . . . 270 Pro HD3 . 27397 1 489 . 1 . 1 47 47 PRO C C 13 176.393 0.000 . 1 . . . . . 270 Pro C . 27397 1 490 . 1 . 1 47 47 PRO CA C 13 64.342 0.044 . 1 . . . . . 270 Pro CA . 27397 1 491 . 1 . 1 47 47 PRO CB C 13 31.290 0.012 . 1 . . . . . 270 Pro CB . 27397 1 492 . 1 . 1 47 47 PRO CG C 13 27.123 0.040 . 1 . . . . . 270 Pro CG . 27397 1 493 . 1 . 1 47 47 PRO CD C 13 50.229 0.037 . 1 . . . . . 270 Pro CD . 27397 1 494 . 1 . 1 48 48 SER H H 1 7.131 0.005 . 1 . . . . . 271 Ser H . 27397 1 495 . 1 . 1 48 48 SER HA H 1 4.132 0.010 . 1 . . . . . 271 Ser HA . 27397 1 496 . 1 . 1 48 48 SER HB2 H 1 3.698 0.025 . 2 . . . . . 271 Ser HB2 . 27397 1 497 . 1 . 1 48 48 SER HB3 H 1 4.143 0.007 . 2 . . . . . 271 Ser HB3 . 27397 1 498 . 1 . 1 48 48 SER HG H 1 4.806 0.003 . 1 . . . . . 271 Ser HG . 27397 1 499 . 1 . 1 48 48 SER C C 13 174.630 0.000 . 1 . . . . . 271 Ser C . 27397 1 500 . 1 . 1 48 48 SER CA C 13 57.841 0.031 . 1 . . . . . 271 Ser CA . 27397 1 501 . 1 . 1 48 48 SER CB C 13 62.175 0.022 . 1 . . . . . 271 Ser CB . 27397 1 502 . 1 . 1 48 48 SER N N 15 107.228 0.036 . 1 . . . . . 271 Ser N . 27397 1 503 . 1 . 1 49 49 ALA H H 1 7.498 0.003 . 1 . . . . . 272 Ala H . 27397 1 504 . 1 . 1 49 49 ALA HA H 1 4.113 0.008 . 1 . . . . . 272 Ala HA . 27397 1 505 . 1 . 1 49 49 ALA HB1 H 1 1.254 0.006 . 1 . . . . . 272 Ala HB1 . 27397 1 506 . 1 . 1 49 49 ALA HB2 H 1 1.254 0.006 . 1 . . . . . 272 Ala HB2 . 27397 1 507 . 1 . 1 49 49 ALA HB3 H 1 1.254 0.006 . 1 . . . . . 272 Ala HB3 . 27397 1 508 . 1 . 1 49 49 ALA C C 13 175.804 0.000 . 1 . . . . . 272 Ala C . 27397 1 509 . 1 . 1 49 49 ALA CA C 13 52.176 0.076 . 1 . . . . . 272 Ala CA . 27397 1 510 . 1 . 1 49 49 ALA CB C 13 20.002 0.048 . 1 . . . . . 272 Ala CB . 27397 1 511 . 1 . 1 49 49 ALA N N 15 123.706 0.056 . 1 . . . . . 272 Ala N . 27397 1 512 . 1 . 1 50 50 ARG H H 1 7.390 0.008 . 1 . . . . . 273 Arg H . 27397 1 513 . 1 . 1 50 50 ARG HA H 1 4.530 0.005 . 1 . . . . . 273 Arg HA . 27397 1 514 . 1 . 1 50 50 ARG HB2 H 1 1.886 0.003 . 2 . . . . . 273 Arg HB2 . 27397 1 515 . 1 . 1 50 50 ARG HB3 H 1 1.503 0.016 . 2 . . . . . 273 Arg HB3 . 27397 1 516 . 1 . 1 50 50 ARG HG2 H 1 1.528 0.008 . 1 . . . . . 273 Arg HG2 . 27397 1 517 . 1 . 1 50 50 ARG HD2 H 1 3.050 0.005 . 2 . . . . . 273 Arg HD2 . 27397 1 518 . 1 . 1 50 50 ARG HD3 H 1 3.227 0.004 . 2 . . . . . 273 Arg HD3 . 27397 1 519 . 1 . 1 50 50 ARG C C 13 175.400 0.000 . 1 . . . . . 273 Arg C . 27397 1 520 . 1 . 1 50 50 ARG CA C 13 53.006 0.028 . 1 . . . . . 273 Arg CA . 27397 1 521 . 1 . 1 50 50 ARG CB C 13 33.544 0.035 . 1 . . . . . 273 Arg CB . 27397 1 522 . 1 . 1 50 50 ARG CG C 13 26.146 0.083 . 1 . . . . . 273 Arg CG . 27397 1 523 . 1 . 1 50 50 ARG CD C 13 42.789 0.077 . 1 . . . . . 273 Arg CD . 27397 1 524 . 1 . 1 50 50 ARG N N 15 122.185 0.066 . 1 . . . . . 273 Arg N . 27397 1 525 . 1 . 1 51 51 ASN H H 1 9.706 0.019 . 1 . . . . . 274 Asn H . 27397 1 526 . 1 . 1 51 51 ASN HA H 1 4.516 0.008 . 1 . . . . . 274 Asn HA . 27397 1 527 . 1 . 1 51 51 ASN HB2 H 1 2.717 0.003 . 2 . . . . . 274 Asn HB2 . 27397 1 528 . 1 . 1 51 51 ASN HB3 H 1 2.594 0.002 . 2 . . . . . 274 Asn HB3 . 27397 1 529 . 1 . 1 51 51 ASN HD21 H 1 6.475 0.014 . 1 . . . . . 274 Asn HD21 . 27397 1 530 . 1 . 1 51 51 ASN HD22 H 1 7.218 0.012 . 1 . . . . . 274 Asn HD22 . 27397 1 531 . 1 . 1 51 51 ASN C C 13 177.555 0.000 . 1 . . . . . 274 Asn C . 27397 1 532 . 1 . 1 51 51 ASN CA C 13 54.065 0.114 . 1 . . . . . 274 Asn CA . 27397 1 533 . 1 . 1 51 51 ASN CB C 13 37.241 0.052 . 1 . . . . . 274 Asn CB . 27397 1 534 . 1 . 1 51 51 ASN N N 15 121.266 0.047 . 1 . . . . . 274 Asn N . 27397 1 535 . 1 . 1 51 51 ASN ND2 N 15 110.249 0.050 . 1 . . . . . 274 Asn ND2 . 27397 1 536 . 1 . 1 52 52 GLY H H 1 8.620 0.009 . 1 . . . . . 275 Gly H . 27397 1 537 . 1 . 1 52 52 GLY HA2 H 1 4.330 0.006 . 2 . . . . . 275 Gly HA2 . 27397 1 538 . 1 . 1 52 52 GLY HA3 H 1 3.558 0.008 . 2 . . . . . 275 Gly HA3 . 27397 1 539 . 1 . 1 52 52 GLY C C 13 175.169 0.000 . 1 . . . . . 275 Gly C . 27397 1 540 . 1 . 1 52 52 GLY CA C 13 45.242 0.027 . 1 . . . . . 275 Gly CA . 27397 1 541 . 1 . 1 52 52 GLY N N 15 110.873 0.099 . 1 . . . . . 275 Gly N . 27397 1 542 . 1 . 1 53 53 MET H H 1 7.495 0.015 . 1 . . . . . 276 Met H . 27397 1 543 . 1 . 1 53 53 MET HA H 1 4.327 0.008 . 1 . . . . . 276 Met HA . 27397 1 544 . 1 . 1 53 53 MET HB2 H 1 1.594 0.021 . 2 . . . . . 276 Met HB2 . 27397 1 545 . 1 . 1 53 53 MET HB3 H 1 1.512 0.022 . 2 . . . . . 276 Met HB3 . 27397 1 546 . 1 . 1 53 53 MET HG2 H 1 2.284 0.016 . 2 . . . . . 276 Met HG2 . 27397 1 547 . 1 . 1 53 53 MET HG3 H 1 2.279 0.019 . 2 . . . . . 276 Met HG3 . 27397 1 548 . 1 . 1 53 53 MET HE1 H 1 1.736 0.006 . 1 . . . . . 276 Met HE1 . 27397 1 549 . 1 . 1 53 53 MET HE2 H 1 1.736 0.006 . 1 . . . . . 276 Met HE2 . 27397 1 550 . 1 . 1 53 53 MET HE3 H 1 1.736 0.006 . 1 . . . . . 276 Met HE3 . 27397 1 551 . 1 . 1 53 53 MET C C 13 174.850 0.000 . 1 . . . . . 276 Met C . 27397 1 552 . 1 . 1 53 53 MET CA C 13 56.240 0.040 . 1 . . . . . 276 Met CA . 27397 1 553 . 1 . 1 53 53 MET CB C 13 34.975 0.030 . 1 . . . . . 276 Met CB . 27397 1 554 . 1 . 1 53 53 MET CG C 13 31.617 0.037 . 1 . . . . . 276 Met CG . 27397 1 555 . 1 . 1 53 53 MET CE C 13 15.950 0.016 . 1 . . . . . 276 Met CE . 27397 1 556 . 1 . 1 53 53 MET N N 15 121.105 0.052 . 1 . . . . . 276 Met N . 27397 1 557 . 1 . 1 54 54 SER H H 1 8.158 0.007 . 1 . . . . . 277 Ser H . 27397 1 558 . 1 . 1 54 54 SER HA H 1 6.084 0.012 . 1 . . . . . 277 Ser HA . 27397 1 559 . 1 . 1 54 54 SER HB2 H 1 3.823 0.011 . 2 . . . . . 277 Ser HB2 . 27397 1 560 . 1 . 1 54 54 SER HB3 H 1 3.707 0.011 . 2 . . . . . 277 Ser HB3 . 27397 1 561 . 1 . 1 54 54 SER C C 13 172.924 0.000 . 1 . . . . . 277 Ser C . 27397 1 562 . 1 . 1 54 54 SER CA C 13 56.842 0.016 . 1 . . . . . 277 Ser CA . 27397 1 563 . 1 . 1 54 54 SER CB C 13 66.157 0.060 . 1 . . . . . 277 Ser CB . 27397 1 564 . 1 . 1 54 54 SER N N 15 110.836 0.044 . 1 . . . . . 277 Ser N . 27397 1 565 . 1 . 1 55 55 VAL H H 1 8.463 0.006 . 1 . . . . . 278 Val H . 27397 1 566 . 1 . 1 55 55 VAL HA H 1 4.903 0.004 . 1 . . . . . 278 Val HA . 27397 1 567 . 1 . 1 55 55 VAL HB H 1 2.272 0.007 . 1 . . . . . 278 Val HB . 27397 1 568 . 1 . 1 55 55 VAL HG11 H 1 1.091 0.005 . 2 . . . . . 278 Val HG11 . 27397 1 569 . 1 . 1 55 55 VAL HG12 H 1 1.091 0.005 . 2 . . . . . 278 Val HG12 . 27397 1 570 . 1 . 1 55 55 VAL HG13 H 1 1.091 0.005 . 2 . . . . . 278 Val HG13 . 27397 1 571 . 1 . 1 55 55 VAL HG21 H 1 0.759 0.013 . 2 . . . . . 278 Val HG21 . 27397 1 572 . 1 . 1 55 55 VAL HG22 H 1 0.759 0.013 . 2 . . . . . 278 Val HG22 . 27397 1 573 . 1 . 1 55 55 VAL HG23 H 1 0.759 0.013 . 2 . . . . . 278 Val HG23 . 27397 1 574 . 1 . 1 55 55 VAL C C 13 171.829 0.000 . 1 . . . . . 278 Val C . 27397 1 575 . 1 . 1 55 55 VAL CA C 13 57.926 0.018 . 1 . . . . . 278 Val CA . 27397 1 576 . 1 . 1 55 55 VAL CB C 13 35.898 0.031 . 1 . . . . . 278 Val CB . 27397 1 577 . 1 . 1 55 55 VAL CG1 C 13 23.500 0.059 . 2 . . . . . 278 Val CG1 . 27397 1 578 . 1 . 1 55 55 VAL CG2 C 13 20.973 0.007 . 2 . . . . . 278 Val CG2 . 27397 1 579 . 1 . 1 55 55 VAL N N 15 120.052 0.043 . 1 . . . . . 278 Val N . 27397 1 580 . 1 . 1 56 56 GLU H H 1 8.744 0.005 . 1 . . . . . 279 Glu H . 27397 1 581 . 1 . 1 56 56 GLU HA H 1 5.439 0.008 . 1 . . . . . 279 Glu HA . 27397 1 582 . 1 . 1 56 56 GLU HB2 H 1 1.883 0.006 . 2 . . . . . 279 Glu HB2 . 27397 1 583 . 1 . 1 56 56 GLU HB3 H 1 2.001 0.004 . 2 . . . . . 279 Glu HB3 . 27397 1 584 . 1 . 1 56 56 GLU HG2 H 1 1.999 0.008 . 2 . . . . . 279 Glu HG2 . 27397 1 585 . 1 . 1 56 56 GLU HG3 H 1 2.108 0.008 . 2 . . . . . 279 Glu HG3 . 27397 1 586 . 1 . 1 56 56 GLU C C 13 174.730 0.000 . 1 . . . . . 279 Glu C . 27397 1 587 . 1 . 1 56 56 GLU CA C 13 54.170 0.016 . 1 . . . . . 279 Glu CA . 27397 1 588 . 1 . 1 56 56 GLU CB C 13 32.777 0.027 . 1 . . . . . 279 Glu CB . 27397 1 589 . 1 . 1 56 56 GLU CG C 13 37.167 0.043 . 1 . . . . . 279 Glu CG . 27397 1 590 . 1 . 1 56 56 GLU N N 15 127.635 0.049 . 1 . . . . . 279 Glu N . 27397 1 591 . 1 . 1 57 57 VAL H H 1 9.770 0.006 . 1 . . . . . 280 Val H . 27397 1 592 . 1 . 1 57 57 VAL HA H 1 4.857 0.009 . 1 . . . . . 280 Val HA . 27397 1 593 . 1 . 1 57 57 VAL HB H 1 2.005 0.004 . 1 . . . . . 280 Val HB . 27397 1 594 . 1 . 1 57 57 VAL HG11 H 1 0.769 0.017 . 2 . . . . . 280 Val HG11 . 27397 1 595 . 1 . 1 57 57 VAL HG12 H 1 0.769 0.017 . 2 . . . . . 280 Val HG12 . 27397 1 596 . 1 . 1 57 57 VAL HG13 H 1 0.769 0.017 . 2 . . . . . 280 Val HG13 . 27397 1 597 . 1 . 1 57 57 VAL HG21 H 1 0.728 0.024 . 2 . . . . . 280 Val HG21 . 27397 1 598 . 1 . 1 57 57 VAL HG22 H 1 0.728 0.024 . 2 . . . . . 280 Val HG22 . 27397 1 599 . 1 . 1 57 57 VAL HG23 H 1 0.728 0.024 . 2 . . . . . 280 Val HG23 . 27397 1 600 . 1 . 1 57 57 VAL C C 13 173.339 0.000 . 1 . . . . . 280 Val C . 27397 1 601 . 1 . 1 57 57 VAL CA C 13 59.533 0.027 . 1 . . . . . 280 Val CA . 27397 1 602 . 1 . 1 57 57 VAL CB C 13 35.788 0.060 . 1 . . . . . 280 Val CB . 27397 1 603 . 1 . 1 57 57 VAL CG1 C 13 21.420 0.047 . 2 . . . . . 280 Val CG1 . 27397 1 604 . 1 . 1 57 57 VAL CG2 C 13 22.517 0.062 . 2 . . . . . 280 Val CG2 . 27397 1 605 . 1 . 1 57 57 VAL N N 15 128.937 0.061 . 1 . . . . . 280 Val N . 27397 1 606 . 1 . 1 58 58 LEU H H 1 9.178 0.005 . 1 . . . . . 281 Leu H . 27397 1 607 . 1 . 1 58 58 LEU HA H 1 4.919 0.004 . 1 . . . . . 281 Leu HA . 27397 1 608 . 1 . 1 58 58 LEU HB2 H 1 1.301 0.005 . 2 . . . . . 281 Leu HB2 . 27397 1 609 . 1 . 1 58 58 LEU HB3 H 1 1.742 0.005 . 2 . . . . . 281 Leu HB3 . 27397 1 610 . 1 . 1 58 58 LEU HG H 1 1.296 0.005 . 1 . . . . . 281 Leu HG . 27397 1 611 . 1 . 1 58 58 LEU HD11 H 1 0.758 0.006 . 2 . . . . . 281 Leu HD11 . 27397 1 612 . 1 . 1 58 58 LEU HD12 H 1 0.758 0.006 . 2 . . . . . 281 Leu HD12 . 27397 1 613 . 1 . 1 58 58 LEU HD13 H 1 0.758 0.006 . 2 . . . . . 281 Leu HD13 . 27397 1 614 . 1 . 1 58 58 LEU HD21 H 1 0.747 0.013 . 2 . . . . . 281 Leu HD21 . 27397 1 615 . 1 . 1 58 58 LEU HD22 H 1 0.747 0.013 . 2 . . . . . 281 Leu HD22 . 27397 1 616 . 1 . 1 58 58 LEU HD23 H 1 0.747 0.013 . 2 . . . . . 281 Leu HD23 . 27397 1 617 . 1 . 1 58 58 LEU C C 13 176.964 0.000 . 1 . . . . . 281 Leu C . 27397 1 618 . 1 . 1 58 58 LEU CA C 13 53.311 0.086 . 1 . . . . . 281 Leu CA . 27397 1 619 . 1 . 1 58 58 LEU CB C 13 43.657 0.033 . 1 . . . . . 281 Leu CB . 27397 1 620 . 1 . 1 58 58 LEU CG C 13 26.949 0.012 . 1 . . . . . 281 Leu CG . 27397 1 621 . 1 . 1 58 58 LEU CD1 C 13 23.564 0.026 . 2 . . . . . 281 Leu CD1 . 27397 1 622 . 1 . 1 58 58 LEU CD2 C 13 24.993 0.049 . 2 . . . . . 281 Leu CD2 . 27397 1 623 . 1 . 1 58 58 LEU N N 15 128.332 0.049 . 1 . . . . . 281 Leu N . 27397 1 624 . 1 . 1 59 59 ILE H H 1 9.008 0.004 . 1 . . . . . 282 Ile H . 27397 1 625 . 1 . 1 59 59 ILE HA H 1 5.159 0.021 . 1 . . . . . 282 Ile HA . 27397 1 626 . 1 . 1 59 59 ILE HB H 1 1.822 0.015 . 1 . . . . . 282 Ile HB . 27397 1 627 . 1 . 1 59 59 ILE HG12 H 1 1.544 0.003 . 2 . . . . . 282 Ile HG12 . 27397 1 628 . 1 . 1 59 59 ILE HG13 H 1 1.195 0.004 . 2 . . . . . 282 Ile HG13 . 27397 1 629 . 1 . 1 59 59 ILE HG21 H 1 0.978 0.005 . 1 . . . . . 282 Ile HG21 . 27397 1 630 . 1 . 1 59 59 ILE HG22 H 1 0.978 0.005 . 1 . . . . . 282 Ile HG22 . 27397 1 631 . 1 . 1 59 59 ILE HG23 H 1 0.978 0.005 . 1 . . . . . 282 Ile HG23 . 27397 1 632 . 1 . 1 59 59 ILE HD11 H 1 0.778 0.014 . 1 . . . . . 282 Ile HD11 . 27397 1 633 . 1 . 1 59 59 ILE HD12 H 1 0.778 0.014 . 1 . . . . . 282 Ile HD12 . 27397 1 634 . 1 . 1 59 59 ILE HD13 H 1 0.778 0.014 . 1 . . . . . 282 Ile HD13 . 27397 1 635 . 1 . 1 59 59 ILE C C 13 173.509 0.000 . 1 . . . . . 282 Ile C . 27397 1 636 . 1 . 1 59 59 ILE CA C 13 58.969 0.018 . 1 . . . . . 282 Ile CA . 27397 1 637 . 1 . 1 59 59 ILE CB C 13 40.464 0.018 . 1 . . . . . 282 Ile CB . 27397 1 638 . 1 . 1 59 59 ILE CG1 C 13 26.796 0.053 . 1 . . . . . 282 Ile CG1 . 27397 1 639 . 1 . 1 59 59 ILE CG2 C 13 18.118 0.017 . 1 . . . . . 282 Ile CG2 . 27397 1 640 . 1 . 1 59 59 ILE CD1 C 13 13.480 0.036 . 1 . . . . . 282 Ile CD1 . 27397 1 641 . 1 . 1 59 59 ILE N N 15 124.624 0.066 . 1 . . . . . 282 Ile N . 27397 1 642 . 1 . 1 60 60 GLU H H 1 7.978 0.005 . 1 . . . . . 283 Glu H . 27397 1 643 . 1 . 1 60 60 GLU HA H 1 5.309 0.010 . 1 . . . . . 283 Glu HA . 27397 1 644 . 1 . 1 60 60 GLU HB2 H 1 2.085 0.008 . 2 . . . . . 283 Glu HB2 . 27397 1 645 . 1 . 1 60 60 GLU HB3 H 1 1.791 0.011 . 2 . . . . . 283 Glu HB3 . 27397 1 646 . 1 . 1 60 60 GLU HG2 H 1 2.200 0.005 . 2 . . . . . 283 Glu HG2 . 27397 1 647 . 1 . 1 60 60 GLU HG3 H 1 2.088 0.003 . 2 . . . . . 283 Glu HG3 . 27397 1 648 . 1 . 1 60 60 GLU CA C 13 54.447 0.013 . 1 . . . . . 283 Glu CA . 27397 1 649 . 1 . 1 60 60 GLU CB C 13 33.291 0.030 . 1 . . . . . 283 Glu CB . 27397 1 650 . 1 . 1 60 60 GLU CG C 13 37.188 0.053 . 1 . . . . . 283 Glu CG . 27397 1 651 . 1 . 1 60 60 GLU N N 15 121.935 0.081 . 1 . . . . . 283 Glu N . 27397 1 652 . 1 . 1 61 61 MET H H 1 8.734 0.008 . 1 . . . . . 284 Met H . 27397 1 653 . 1 . 1 61 61 MET HA H 1 5.620 0.006 . 1 . . . . . 284 Met HA . 27397 1 654 . 1 . 1 61 61 MET HB2 H 1 2.108 0.004 . 2 . . . . . 284 Met HB2 . 27397 1 655 . 1 . 1 61 61 MET HB3 H 1 2.215 0.005 . 2 . . . . . 284 Met HB3 . 27397 1 656 . 1 . 1 61 61 MET HG2 H 1 2.423 0.005 . 2 . . . . . 284 Met HG2 . 27397 1 657 . 1 . 1 61 61 MET HG3 H 1 2.565 0.006 . 2 . . . . . 284 Met HG3 . 27397 1 658 . 1 . 1 61 61 MET HE1 H 1 1.994 0.002 . 1 . . . . . 284 Met HE1 . 27397 1 659 . 1 . 1 61 61 MET HE2 H 1 1.994 0.002 . 1 . . . . . 284 Met HE2 . 27397 1 660 . 1 . 1 61 61 MET HE3 H 1 1.994 0.002 . 1 . . . . . 284 Met HE3 . 27397 1 661 . 1 . 1 61 61 MET CA C 13 54.329 0.056 . 1 . . . . . 284 Met CA . 27397 1 662 . 1 . 1 61 61 MET CB C 13 38.717 0.050 . 1 . . . . . 284 Met CB . 27397 1 663 . 1 . 1 61 61 MET CG C 13 32.738 0.016 . 1 . . . . . 284 Met CG . 27397 1 664 . 1 . 1 61 61 MET CE C 13 16.908 0.028 . 1 . . . . . 284 Met CE . 27397 1 665 . 1 . 1 61 61 MET N N 15 121.435 0.055 . 1 . . . . . 284 Met N . 27397 1 666 . 1 . 1 62 62 LEU H H 1 8.462 0.005 . 1 . . . . . 285 Leu H . 27397 1 667 . 1 . 1 62 62 LEU HA H 1 4.940 0.006 . 1 . . . . . 285 Leu HA . 27397 1 668 . 1 . 1 62 62 LEU HB2 H 1 1.793 0.009 . 2 . . . . . 285 Leu HB2 . 27397 1 669 . 1 . 1 62 62 LEU HB3 H 1 1.587 0.009 . 2 . . . . . 285 Leu HB3 . 27397 1 670 . 1 . 1 62 62 LEU HG H 1 1.694 0.004 . 1 . . . . . 285 Leu HG . 27397 1 671 . 1 . 1 62 62 LEU HD11 H 1 0.979 0.003 . 2 . . . . . 285 Leu HD11 . 27397 1 672 . 1 . 1 62 62 LEU HD12 H 1 0.979 0.003 . 2 . . . . . 285 Leu HD12 . 27397 1 673 . 1 . 1 62 62 LEU HD13 H 1 0.979 0.003 . 2 . . . . . 285 Leu HD13 . 27397 1 674 . 1 . 1 62 62 LEU HD21 H 1 0.856 0.003 . 2 . . . . . 285 Leu HD21 . 27397 1 675 . 1 . 1 62 62 LEU HD22 H 1 0.856 0.003 . 2 . . . . . 285 Leu HD22 . 27397 1 676 . 1 . 1 62 62 LEU HD23 H 1 0.856 0.003 . 2 . . . . . 285 Leu HD23 . 27397 1 677 . 1 . 1 62 62 LEU CA C 13 52.074 0.007 . 1 . . . . . 285 Leu CA . 27397 1 678 . 1 . 1 62 62 LEU CB C 13 42.049 0.056 . 1 . . . . . 285 Leu CB . 27397 1 679 . 1 . 1 62 62 LEU CG C 13 26.544 0.221 . 1 . . . . . 285 Leu CG . 27397 1 680 . 1 . 1 62 62 LEU CD1 C 13 21.993 0.000 . 2 . . . . . 285 Leu CD1 . 27397 1 681 . 1 . 1 62 62 LEU CD2 C 13 24.870 0.036 . 2 . . . . . 285 Leu CD2 . 27397 1 682 . 1 . 1 62 62 LEU N N 15 120.588 0.076 . 1 . . . . . 285 Leu N . 27397 1 683 . 1 . 1 63 63 PRO HA H 1 2.357 0.008 . 1 . . . . . 286 Pro HA . 27397 1 684 . 1 . 1 63 63 PRO HB2 H 1 1.504 0.013 . 2 . . . . . 286 Pro HB2 . 27397 1 685 . 1 . 1 63 63 PRO HB3 H 1 1.519 0.002 . 2 . . . . . 286 Pro HB3 . 27397 1 686 . 1 . 1 63 63 PRO HG2 H 1 1.828 0.002 . 2 . . . . . 286 Pro HG2 . 27397 1 687 . 1 . 1 63 63 PRO HG3 H 1 1.622 0.002 . 2 . . . . . 286 Pro HG3 . 27397 1 688 . 1 . 1 63 63 PRO HD2 H 1 3.638 0.026 . 2 . . . . . 286 Pro HD2 . 27397 1 689 . 1 . 1 63 63 PRO HD3 H 1 3.674 0.016 . 2 . . . . . 286 Pro HD3 . 27397 1 690 . 1 . 1 63 63 PRO CA C 13 63.601 0.000 . 1 . . . . . 286 Pro CA . 27397 1 691 . 1 . 1 63 63 PRO CB C 13 30.882 0.018 . 1 . . . . . 286 Pro CB . 27397 1 692 . 1 . 1 63 63 PRO CG C 13 26.541 0.015 . 1 . . . . . 286 Pro CG . 27397 1 693 . 1 . 1 63 63 PRO CD C 13 49.908 0.017 . 1 . . . . . 286 Pro CD . 27397 1 694 . 1 . 1 64 64 ASP H H 1 6.918 0.002 . 1 . . . . . 287 Asp H . 27397 1 695 . 1 . 1 64 64 ASP HA H 1 4.224 0.008 . 1 . . . . . 287 Asp HA . 27397 1 696 . 1 . 1 64 64 ASP HB2 H 1 2.853 0.002 . 2 . . . . . 287 Asp HB2 . 27397 1 697 . 1 . 1 64 64 ASP HB3 H 1 2.435 0.005 . 2 . . . . . 287 Asp HB3 . 27397 1 698 . 1 . 1 64 64 ASP C C 13 176.932 0.000 . 1 . . . . . 287 Asp C . 27397 1 699 . 1 . 1 64 64 ASP CA C 13 53.032 0.070 . 1 . . . . . 287 Asp CA . 27397 1 700 . 1 . 1 64 64 ASP CB C 13 39.256 0.034 . 1 . . . . . 287 Asp CB . 27397 1 701 . 1 . 1 64 64 ASP N N 15 111.766 0.035 . 1 . . . . . 287 Asp N . 27397 1 702 . 1 . 1 65 65 GLY H H 1 8.767 0.005 . 1 . . . . . 288 Gly H . 27397 1 703 . 1 . 1 65 65 GLY HA2 H 1 3.343 0.005 . 2 . . . . . 288 Gly HA2 . 27397 1 704 . 1 . 1 65 65 GLY HA3 H 1 4.493 0.005 . 2 . . . . . 288 Gly HA3 . 27397 1 705 . 1 . 1 65 65 GLY C C 13 175.058 0.000 . 1 . . . . . 288 Gly C . 27397 1 706 . 1 . 1 65 65 GLY CA C 13 44.768 0.047 . 1 . . . . . 288 Gly CA . 27397 1 707 . 1 . 1 65 65 GLY N N 15 108.223 0.044 . 1 . . . . . 288 Gly N . 27397 1 708 . 1 . 1 66 66 THR H H 1 8.190 0.013 . 1 . . . . . 289 Thr H . 27397 1 709 . 1 . 1 66 66 THR HA H 1 3.750 0.006 . 1 . . . . . 289 Thr HA . 27397 1 710 . 1 . 1 66 66 THR HB H 1 4.014 0.008 . 1 . . . . . 289 Thr HB . 27397 1 711 . 1 . 1 66 66 THR HG21 H 1 1.089 0.008 . 1 . . . . . 289 Thr HG21 . 27397 1 712 . 1 . 1 66 66 THR HG22 H 1 1.089 0.008 . 1 . . . . . 289 Thr HG22 . 27397 1 713 . 1 . 1 66 66 THR HG23 H 1 1.089 0.008 . 1 . . . . . 289 Thr HG23 . 27397 1 714 . 1 . 1 66 66 THR C C 13 173.664 0.000 . 1 . . . . . 289 Thr C . 27397 1 715 . 1 . 1 66 66 THR CA C 13 65.600 0.066 . 1 . . . . . 289 Thr CA . 27397 1 716 . 1 . 1 66 66 THR CB C 13 68.630 0.081 . 1 . . . . . 289 Thr CB . 27397 1 717 . 1 . 1 66 66 THR CG2 C 13 20.759 0.016 . 1 . . . . . 289 Thr CG2 . 27397 1 718 . 1 . 1 66 66 THR N N 15 119.846 0.045 . 1 . . . . . 289 Thr N . 27397 1 719 . 1 . 1 67 67 ILE H H 1 8.247 0.005 . 1 . . . . . 290 Ile H . 27397 1 720 . 1 . 1 67 67 ILE HA H 1 4.490 0.007 . 1 . . . . . 290 Ile HA . 27397 1 721 . 1 . 1 67 67 ILE HB H 1 1.796 0.012 . 1 . . . . . 290 Ile HB . 27397 1 722 . 1 . 1 67 67 ILE HG21 H 1 0.851 0.010 . 1 . . . . . 290 Ile HG21 . 27397 1 723 . 1 . 1 67 67 ILE HG22 H 1 0.851 0.010 . 1 . . . . . 290 Ile HG22 . 27397 1 724 . 1 . 1 67 67 ILE HG23 H 1 0.851 0.010 . 1 . . . . . 290 Ile HG23 . 27397 1 725 . 1 . 1 67 67 ILE C C 13 176.228 0.000 . 1 . . . . . 290 Ile C . 27397 1 726 . 1 . 1 67 67 ILE CA C 13 61.404 0.018 . 1 . . . . . 290 Ile CA . 27397 1 727 . 1 . 1 67 67 ILE CB C 13 37.608 0.025 . 1 . . . . . 290 Ile CB . 27397 1 728 . 1 . 1 67 67 ILE CG1 C 13 28.333 0.000 . 1 . . . . . 290 Ile CG1 . 27397 1 729 . 1 . 1 67 67 ILE CG2 C 13 16.881 0.029 . 1 . . . . . 290 Ile CG2 . 27397 1 730 . 1 . 1 67 67 ILE CD1 C 13 13.088 0.000 . 1 . . . . . 290 Ile CD1 . 27397 1 731 . 1 . 1 67 67 ILE N N 15 127.672 0.055 . 1 . . . . . 290 Ile N . 27397 1 732 . 1 . 1 68 68 THR H H 1 8.889 0.010 . 1 . . . . . 291 Thr H . 27397 1 733 . 1 . 1 68 68 THR HA H 1 4.317 0.002 . 1 . . . . . 291 Thr HA . 27397 1 734 . 1 . 1 68 68 THR HB H 1 4.128 0.005 . 1 . . . . . 291 Thr HB . 27397 1 735 . 1 . 1 68 68 THR HG21 H 1 1.111 0.004 . 1 . . . . . 291 Thr HG21 . 27397 1 736 . 1 . 1 68 68 THR HG22 H 1 1.111 0.004 . 1 . . . . . 291 Thr HG22 . 27397 1 737 . 1 . 1 68 68 THR HG23 H 1 1.111 0.004 . 1 . . . . . 291 Thr HG23 . 27397 1 738 . 1 . 1 68 68 THR C C 13 175.300 0.000 . 1 . . . . . 291 Thr C . 27397 1 739 . 1 . 1 68 68 THR CA C 13 61.661 0.053 . 1 . . . . . 291 Thr CA . 27397 1 740 . 1 . 1 68 68 THR CB C 13 68.542 0.041 . 1 . . . . . 291 Thr CB . 27397 1 741 . 1 . 1 68 68 THR CG2 C 13 22.507 0.017 . 1 . . . . . 291 Thr CG2 . 27397 1 742 . 1 . 1 68 68 THR N N 15 121.092 0.046 . 1 . . . . . 291 Thr N . 27397 1 743 . 1 . 1 69 69 ASN H H 1 7.642 0.005 . 1 . . . . . 292 Asn H . 27397 1 744 . 1 . 1 69 69 ASN HA H 1 4.826 0.002 . 1 . . . . . 292 Asn HA . 27397 1 745 . 1 . 1 69 69 ASN HB2 H 1 2.735 0.007 . 2 . . . . . 292 Asn HB2 . 27397 1 746 . 1 . 1 69 69 ASN HB3 H 1 2.606 0.005 . 2 . . . . . 292 Asn HB3 . 27397 1 747 . 1 . 1 69 69 ASN HD21 H 1 7.497 0.003 . 1 . . . . . 292 Asn HD21 . 27397 1 748 . 1 . 1 69 69 ASN HD22 H 1 6.825 0.004 . 1 . . . . . 292 Asn HD22 . 27397 1 749 . 1 . 1 69 69 ASN C C 13 172.516 0.000 . 1 . . . . . 292 Asn C . 27397 1 750 . 1 . 1 69 69 ASN CA C 13 52.220 0.052 . 1 . . . . . 292 Asn CA . 27397 1 751 . 1 . 1 69 69 ASN CB C 13 41.275 0.040 . 1 . . . . . 292 Asn CB . 27397 1 752 . 1 . 1 69 69 ASN N N 15 117.549 0.022 . 1 . . . . . 292 Asn N . 27397 1 753 . 1 . 1 69 69 ASN ND2 N 15 112.055 0.029 . 1 . . . . . 292 Asn ND2 . 27397 1 754 . 1 . 1 70 70 ALA H H 1 7.785 0.003 . 1 . . . . . 293 Ala H . 27397 1 755 . 1 . 1 70 70 ALA HA H 1 5.213 0.025 . 1 . . . . . 293 Ala HA . 27397 1 756 . 1 . 1 70 70 ALA HB1 H 1 1.171 0.028 . 1 . . . . . 293 Ala HB1 . 27397 1 757 . 1 . 1 70 70 ALA HB2 H 1 1.171 0.028 . 1 . . . . . 293 Ala HB2 . 27397 1 758 . 1 . 1 70 70 ALA HB3 H 1 1.171 0.028 . 1 . . . . . 293 Ala HB3 . 27397 1 759 . 1 . 1 70 70 ALA C C 13 174.910 0.000 . 1 . . . . . 293 Ala C . 27397 1 760 . 1 . 1 70 70 ALA CA C 13 51.137 0.049 . 1 . . . . . 293 Ala CA . 27397 1 761 . 1 . 1 70 70 ALA CB C 13 20.968 0.022 . 1 . . . . . 293 Ala CB . 27397 1 762 . 1 . 1 70 70 ALA N N 15 122.637 0.046 . 1 . . . . . 293 Ala N . 27397 1 763 . 1 . 1 71 71 SER H H 1 8.437 0.008 . 1 . . . . . 294 Ser H . 27397 1 764 . 1 . 1 71 71 SER HB2 H 1 3.789 0.003 . 2 . . . . . 294 Ser HB2 . 27397 1 765 . 1 . 1 71 71 SER HB3 H 1 3.692 0.005 . 2 . . . . . 294 Ser HB3 . 27397 1 766 . 1 . 1 71 71 SER C C 13 172.740 0.000 . 1 . . . . . 294 Ser C . 27397 1 767 . 1 . 1 71 71 SER CA C 13 56.021 0.079 . 1 . . . . . 294 Ser CA . 27397 1 768 . 1 . 1 71 71 SER CB C 13 65.273 0.040 . 1 . . . . . 294 Ser CB . 27397 1 769 . 1 . 1 71 71 SER N N 15 115.863 0.057 . 1 . . . . . 294 Ser N . 27397 1 770 . 1 . 1 72 72 VAL H H 1 9.018 0.004 . 1 . . . . . 295 Val H . 27397 1 771 . 1 . 1 72 72 VAL HA H 1 3.936 0.004 . 1 . . . . . 295 Val HA . 27397 1 772 . 1 . 1 72 72 VAL HB H 1 2.031 0.007 . 1 . . . . . 295 Val HB . 27397 1 773 . 1 . 1 72 72 VAL HG11 H 1 0.780 0.025 . 2 . . . . . 295 Val HG11 . 27397 1 774 . 1 . 1 72 72 VAL HG12 H 1 0.780 0.025 . 2 . . . . . 295 Val HG12 . 27397 1 775 . 1 . 1 72 72 VAL HG13 H 1 0.780 0.025 . 2 . . . . . 295 Val HG13 . 27397 1 776 . 1 . 1 72 72 VAL HG21 H 1 0.877 0.003 . 2 . . . . . 295 Val HG21 . 27397 1 777 . 1 . 1 72 72 VAL HG22 H 1 0.877 0.003 . 2 . . . . . 295 Val HG22 . 27397 1 778 . 1 . 1 72 72 VAL HG23 H 1 0.877 0.003 . 2 . . . . . 295 Val HG23 . 27397 1 779 . 1 . 1 72 72 VAL C C 13 175.770 0.000 . 1 . . . . . 295 Val C . 27397 1 780 . 1 . 1 72 72 VAL CA C 13 63.737 0.028 . 1 . . . . . 295 Val CA . 27397 1 781 . 1 . 1 72 72 VAL CB C 13 31.254 0.045 . 1 . . . . . 295 Val CB . 27397 1 782 . 1 . 1 72 72 VAL CG1 C 13 20.439 0.019 . 2 . . . . . 295 Val CG1 . 27397 1 783 . 1 . 1 72 72 VAL CG2 C 13 22.402 0.006 . 2 . . . . . 295 Val CG2 . 27397 1 784 . 1 . 1 72 72 VAL N N 15 123.797 0.028 . 1 . . . . . 295 Val N . 27397 1 785 . 1 . 1 73 73 SER H H 1 9.171 0.006 . 1 . . . . . 296 Ser H . 27397 1 786 . 1 . 1 73 73 SER HA H 1 4.523 0.013 . 1 . . . . . 296 Ser HA . 27397 1 787 . 1 . 1 73 73 SER HB2 H 1 3.698 0.006 . 2 . . . . . 296 Ser HB2 . 27397 1 788 . 1 . 1 73 73 SER HB3 H 1 3.573 0.003 . 2 . . . . . 296 Ser HB3 . 27397 1 789 . 1 . 1 73 73 SER C C 13 175.629 0.000 . 1 . . . . . 296 Ser C . 27397 1 790 . 1 . 1 73 73 SER CA C 13 58.445 0.014 . 1 . . . . . 296 Ser CA . 27397 1 791 . 1 . 1 73 73 SER CB C 13 63.172 0.064 . 1 . . . . . 296 Ser CB . 27397 1 792 . 1 . 1 73 73 SER N N 15 126.478 0.045 . 1 . . . . . 296 Ser N . 27397 1 793 . 1 . 1 74 74 ARG H H 1 7.587 0.003 . 1 . . . . . 297 Arg H . 27397 1 794 . 1 . 1 74 74 ARG HA H 1 4.431 0.004 . 1 . . . . . 297 Arg HA . 27397 1 795 . 1 . 1 74 74 ARG HB2 H 1 1.689 0.020 . 2 . . . . . 297 Arg HB2 . 27397 1 796 . 1 . 1 74 74 ARG HB3 H 1 1.716 0.012 . 2 . . . . . 297 Arg HB3 . 27397 1 797 . 1 . 1 74 74 ARG HG2 H 1 1.585 0.001 . 1 . . . . . 297 Arg HG2 . 27397 1 798 . 1 . 1 74 74 ARG HG3 H 1 1.585 0.001 . 1 . . . . . 297 Arg HG3 . 27397 1 799 . 1 . 1 74 74 ARG HD2 H 1 3.145 0.006 . 2 . . . . . 297 Arg HD2 . 27397 1 800 . 1 . 1 74 74 ARG HD3 H 1 3.226 0.002 . 2 . . . . . 297 Arg HD3 . 27397 1 801 . 1 . 1 74 74 ARG C C 13 174.464 0.000 . 1 . . . . . 297 Arg C . 27397 1 802 . 1 . 1 74 74 ARG CA C 13 56.352 0.009 . 1 . . . . . 297 Arg CA . 27397 1 803 . 1 . 1 74 74 ARG CB C 13 31.166 0.032 . 1 . . . . . 297 Arg CB . 27397 1 804 . 1 . 1 74 74 ARG CG C 13 26.130 0.046 . 1 . . . . . 297 Arg CG . 27397 1 805 . 1 . 1 74 74 ARG CD C 13 42.170 0.044 . 1 . . . . . 297 Arg CD . 27397 1 806 . 1 . 1 74 74 ARG N N 15 122.165 0.036 . 1 . . . . . 297 Arg N . 27397 1 807 . 1 . 1 75 75 SER H H 1 8.880 0.005 . 1 . . . . . 298 Ser H . 27397 1 808 . 1 . 1 75 75 SER HA H 1 4.372 0.006 . 1 . . . . . 298 Ser HA . 27397 1 809 . 1 . 1 75 75 SER HB2 H 1 3.624 0.004 . 2 . . . . . 298 Ser HB2 . 27397 1 810 . 1 . 1 75 75 SER HB3 H 1 3.963 0.006 . 2 . . . . . 298 Ser HB3 . 27397 1 811 . 1 . 1 75 75 SER C C 13 175.904 0.000 . 1 . . . . . 298 Ser C . 27397 1 812 . 1 . 1 75 75 SER CA C 13 57.735 0.015 . 1 . . . . . 298 Ser CA . 27397 1 813 . 1 . 1 75 75 SER CB C 13 63.086 0.041 . 1 . . . . . 298 Ser CB . 27397 1 814 . 1 . 1 75 75 SER N N 15 119.985 0.070 . 1 . . . . . 298 Ser N . 27397 1 815 . 1 . 1 76 76 SER H H 1 10.190 0.002 . 1 . . . . . 299 Ser H . 27397 1 816 . 1 . 1 76 76 SER HA H 1 4.839 0.004 . 1 . . . . . 299 Ser HA . 27397 1 817 . 1 . 1 76 76 SER HB2 H 1 3.769 0.005 . 2 . . . . . 299 Ser HB2 . 27397 1 818 . 1 . 1 76 76 SER HB3 H 1 3.983 0.013 . 2 . . . . . 299 Ser HB3 . 27397 1 819 . 1 . 1 76 76 SER HG H 1 5.497 0.012 . 1 . . . . . 299 Ser HG . 27397 1 820 . 1 . 1 76 76 SER C C 13 177.101 0.000 . 1 . . . . . 299 Ser C . 27397 1 821 . 1 . 1 76 76 SER CA C 13 60.389 0.000 . 1 . . . . . 299 Ser CA . 27397 1 822 . 1 . 1 76 76 SER CB C 13 66.744 0.110 . 1 . . . . . 299 Ser CB . 27397 1 823 . 1 . 1 76 76 SER N N 15 126.183 0.040 . 1 . . . . . 299 Ser N . 27397 1 824 . 1 . 1 77 77 GLY H H 1 9.334 0.006 . 1 . . . . . 300 Gly H . 27397 1 825 . 1 . 1 77 77 GLY HA2 H 1 3.625 0.010 . 2 . . . . . 300 Gly HA2 . 27397 1 826 . 1 . 1 77 77 GLY HA3 H 1 4.376 0.007 . 2 . . . . . 300 Gly HA3 . 27397 1 827 . 1 . 1 77 77 GLY C C 13 171.867 0.000 . 1 . . . . . 300 Gly C . 27397 1 828 . 1 . 1 77 77 GLY CA C 13 44.609 0.062 . 1 . . . . . 300 Gly CA . 27397 1 829 . 1 . 1 77 77 GLY N N 15 112.315 0.053 . 1 . . . . . 300 Gly N . 27397 1 830 . 1 . 1 78 78 ASP H H 1 8.582 0.006 . 1 . . . . . 301 Asp H . 27397 1 831 . 1 . 1 78 78 ASP HA H 1 4.911 0.007 . 1 . . . . . 301 Asp HA . 27397 1 832 . 1 . 1 78 78 ASP HB2 H 1 2.149 0.006 . 2 . . . . . 301 Asp HB2 . 27397 1 833 . 1 . 1 78 78 ASP HB3 H 1 2.855 0.005 . 2 . . . . . 301 Asp HB3 . 27397 1 834 . 1 . 1 78 78 ASP C C 13 174.333 0.000 . 1 . . . . . 301 Asp C . 27397 1 835 . 1 . 1 78 78 ASP CA C 13 52.724 0.037 . 1 . . . . . 301 Asp CA . 27397 1 836 . 1 . 1 78 78 ASP CB C 13 43.793 0.041 . 1 . . . . . 301 Asp CB . 27397 1 837 . 1 . 1 78 78 ASP N N 15 124.300 0.127 . 1 . . . . . 301 Asp N . 27397 1 838 . 1 . 1 79 79 LYS H H 1 9.192 0.006 . 1 . . . . . 302 Lys H . 27397 1 839 . 1 . 1 79 79 LYS HA H 1 4.189 0.003 . 1 . . . . . 302 Lys HA . 27397 1 840 . 1 . 1 79 79 LYS HB2 H 1 1.937 0.008 . 2 . . . . . 302 Lys HB2 . 27397 1 841 . 1 . 1 79 79 LYS HB3 H 1 1.937 0.008 . 2 . . . . . 302 Lys HB3 . 27397 1 842 . 1 . 1 79 79 LYS HG2 H 1 1.589 0.004 . 2 . . . . . 302 Lys HG2 . 27397 1 843 . 1 . 1 79 79 LYS HG3 H 1 1.476 0.007 . 2 . . . . . 302 Lys HG3 . 27397 1 844 . 1 . 1 79 79 LYS HD2 H 1 1.708 0.004 . 1 . . . . . 302 Lys HD2 . 27397 1 845 . 1 . 1 79 79 LYS HD3 H 1 1.708 0.004 . 1 . . . . . 302 Lys HD3 . 27397 1 846 . 1 . 1 79 79 LYS HE2 H 1 2.996 0.002 . 1 . . . . . 302 Lys HE2 . 27397 1 847 . 1 . 1 79 79 LYS HE3 H 1 2.995 0.002 . 1 . . . . . 302 Lys HE3 . 27397 1 848 . 1 . 1 79 79 LYS CA C 13 60.953 0.006 . 1 . . . . . 302 Lys CA . 27397 1 849 . 1 . 1 79 79 LYS CB C 13 29.003 0.021 . 1 . . . . . 302 Lys CB . 27397 1 850 . 1 . 1 79 79 LYS CG C 13 25.267 0.034 . 1 . . . . . 302 Lys CG . 27397 1 851 . 1 . 1 79 79 LYS CD C 13 28.665 0.034 . 1 . . . . . 302 Lys CD . 27397 1 852 . 1 . 1 79 79 LYS CE C 13 41.501 0.047 . 1 . . . . . 302 Lys CE . 27397 1 853 . 1 . 1 79 79 LYS N N 15 126.850 0.083 . 1 . . . . . 302 Lys N . 27397 1 854 . 1 . 1 80 80 PRO HA H 1 4.323 0.019 . 1 . . . . . 303 Pro HA . 27397 1 855 . 1 . 1 80 80 PRO HB2 H 1 2.315 0.004 . 2 . . . . . 303 Pro HB2 . 27397 1 856 . 1 . 1 80 80 PRO HB3 H 1 1.777 0.011 . 2 . . . . . 303 Pro HB3 . 27397 1 857 . 1 . 1 80 80 PRO HG2 H 1 1.921 0.011 . 2 . . . . . 303 Pro HG2 . 27397 1 858 . 1 . 1 80 80 PRO HG3 H 1 2.230 0.002 . 2 . . . . . 303 Pro HG3 . 27397 1 859 . 1 . 1 80 80 PRO HD2 H 1 3.916 0.010 . 2 . . . . . 303 Pro HD2 . 27397 1 860 . 1 . 1 80 80 PRO HD3 H 1 3.683 0.003 . 2 . . . . . 303 Pro HD3 . 27397 1 861 . 1 . 1 80 80 PRO C C 13 180.268 0.000 . 1 . . . . . 303 Pro C . 27397 1 862 . 1 . 1 80 80 PRO CA C 13 66.027 0.023 . 1 . . . . . 303 Pro CA . 27397 1 863 . 1 . 1 80 80 PRO CB C 13 30.642 0.021 . 1 . . . . . 303 Pro CB . 27397 1 864 . 1 . 1 80 80 PRO CG C 13 28.231 0.021 . 1 . . . . . 303 Pro CG . 27397 1 865 . 1 . 1 80 80 PRO CD C 13 49.640 0.010 . 1 . . . . . 303 Pro CD . 27397 1 866 . 1 . 1 81 81 PHE H H 1 9.027 0.008 . 1 . . . . . 304 Phe H . 27397 1 867 . 1 . 1 81 81 PHE HA H 1 3.966 0.009 . 1 . . . . . 304 Phe HA . 27397 1 868 . 1 . 1 81 81 PHE HB2 H 1 3.677 0.007 . 2 . . . . . 304 Phe HB2 . 27397 1 869 . 1 . 1 81 81 PHE HB3 H 1 3.128 0.008 . 2 . . . . . 304 Phe HB3 . 27397 1 870 . 1 . 1 81 81 PHE HD1 H 1 7.214 0.014 . 1 . . . . . 304 Phe HD1 . 27397 1 871 . 1 . 1 81 81 PHE HD2 H 1 7.214 0.014 . 1 . . . . . 304 Phe HD2 . 27397 1 872 . 1 . 1 81 81 PHE C C 13 178.679 0.000 . 1 . . . . . 304 Phe C . 27397 1 873 . 1 . 1 81 81 PHE CA C 13 61.605 0.043 . 1 . . . . . 304 Phe CA . 27397 1 874 . 1 . 1 81 81 PHE CB C 13 38.531 0.032 . 1 . . . . . 304 Phe CB . 27397 1 875 . 1 . 1 81 81 PHE CD1 C 13 131.965 0.000 . 1 . . . . . 304 Phe CD1 . 27397 1 876 . 1 . 1 81 81 PHE CD2 C 13 131.965 0.000 . 1 . . . . . 304 Phe CD2 . 27397 1 877 . 1 . 1 81 81 PHE N N 15 122.219 0.042 . 1 . . . . . 304 Phe N . 27397 1 878 . 1 . 1 82 82 ASP H H 1 8.772 0.004 . 1 . . . . . 305 Asp H . 27397 1 879 . 1 . 1 82 82 ASP HA H 1 4.066 0.005 . 1 . . . . . 305 Asp HA . 27397 1 880 . 1 . 1 82 82 ASP HB2 H 1 3.134 0.005 . 2 . . . . . 305 Asp HB2 . 27397 1 881 . 1 . 1 82 82 ASP HB3 H 1 2.692 0.004 . 2 . . . . . 305 Asp HB3 . 27397 1 882 . 1 . 1 82 82 ASP C C 13 177.893 0.000 . 1 . . . . . 305 Asp C . 27397 1 883 . 1 . 1 82 82 ASP CA C 13 57.588 0.004 . 1 . . . . . 305 Asp CA . 27397 1 884 . 1 . 1 82 82 ASP CB C 13 39.743 0.018 . 1 . . . . . 305 Asp CB . 27397 1 885 . 1 . 1 82 82 ASP N N 15 123.518 0.089 . 1 . . . . . 305 Asp N . 27397 1 886 . 1 . 1 83 83 SER H H 1 8.955 0.005 . 1 . . . . . 306 Ser H . 27397 1 887 . 1 . 1 83 83 SER HA H 1 4.076 0.026 . 1 . . . . . 306 Ser HA . 27397 1 888 . 1 . 1 83 83 SER HB2 H 1 3.951 0.006 . 2 . . . . . 306 Ser HB2 . 27397 1 889 . 1 . 1 83 83 SER HB3 H 1 3.930 0.022 . 2 . . . . . 306 Ser HB3 . 27397 1 890 . 1 . 1 83 83 SER C C 13 177.386 0.000 . 1 . . . . . 306 Ser C . 27397 1 891 . 1 . 1 83 83 SER CA C 13 61.274 0.066 . 1 . . . . . 306 Ser CA . 27397 1 892 . 1 . 1 83 83 SER CB C 13 62.349 0.051 . 1 . . . . . 306 Ser CB . 27397 1 893 . 1 . 1 83 83 SER N N 15 113.364 0.021 . 1 . . . . . 306 Ser N . 27397 1 894 . 1 . 1 84 84 SER H H 1 8.282 0.010 . 1 . . . . . 307 Ser H . 27397 1 895 . 1 . 1 84 84 SER HA H 1 4.505 0.002 . 1 . . . . . 307 Ser HA . 27397 1 896 . 1 . 1 84 84 SER HB2 H 1 4.143 0.004 . 1 . . . . . 307 Ser HB2 . 27397 1 897 . 1 . 1 84 84 SER HG H 1 6.099 0.007 . 1 . . . . . 307 Ser HG . 27397 1 898 . 1 . 1 84 84 SER C C 13 175.454 0.000 . 1 . . . . . 307 Ser C . 27397 1 899 . 1 . 1 84 84 SER CA C 13 60.847 0.000 . 1 . . . . . 307 Ser CA . 27397 1 900 . 1 . 1 84 84 SER CB C 13 62.318 0.015 . 1 . . . . . 307 Ser CB . 27397 1 901 . 1 . 1 84 84 SER N N 15 119.521 0.034 . 1 . . . . . 307 Ser N . 27397 1 902 . 1 . 1 85 85 ALA H H 1 7.071 0.007 . 1 . . . . . 308 Ala H . 27397 1 903 . 1 . 1 85 85 ALA HA H 1 2.847 0.003 . 1 . . . . . 308 Ala HA . 27397 1 904 . 1 . 1 85 85 ALA HB1 H 1 -0.176 0.007 . 1 . . . . . 308 Ala HB1 . 27397 1 905 . 1 . 1 85 85 ALA HB2 H 1 -0.176 0.007 . 1 . . . . . 308 Ala HB2 . 27397 1 906 . 1 . 1 85 85 ALA HB3 H 1 -0.176 0.007 . 1 . . . . . 308 Ala HB3 . 27397 1 907 . 1 . 1 85 85 ALA C C 13 177.428 0.000 . 1 . . . . . 308 Ala C . 27397 1 908 . 1 . 1 85 85 ALA CA C 13 54.399 0.023 . 1 . . . . . 308 Ala CA . 27397 1 909 . 1 . 1 85 85 ALA CB C 13 16.835 0.044 . 1 . . . . . 308 Ala CB . 27397 1 910 . 1 . 1 85 85 ALA N N 15 130.291 0.070 . 1 . . . . . 308 Ala N . 27397 1 911 . 1 . 1 86 86 VAL H H 1 7.075 0.006 . 1 . . . . . 309 Val H . 27397 1 912 . 1 . 1 86 86 VAL HA H 1 3.137 0.008 . 1 . . . . . 309 Val HA . 27397 1 913 . 1 . 1 86 86 VAL HB H 1 1.920 0.012 . 1 . . . . . 309 Val HB . 27397 1 914 . 1 . 1 86 86 VAL HG11 H 1 0.861 0.005 . 2 . . . . . 309 Val HG11 . 27397 1 915 . 1 . 1 86 86 VAL HG12 H 1 0.861 0.005 . 2 . . . . . 309 Val HG12 . 27397 1 916 . 1 . 1 86 86 VAL HG13 H 1 0.861 0.005 . 2 . . . . . 309 Val HG13 . 27397 1 917 . 1 . 1 86 86 VAL HG21 H 1 0.851 0.010 . 2 . . . . . 309 Val HG21 . 27397 1 918 . 1 . 1 86 86 VAL HG22 H 1 0.851 0.010 . 2 . . . . . 309 Val HG22 . 27397 1 919 . 1 . 1 86 86 VAL HG23 H 1 0.851 0.010 . 2 . . . . . 309 Val HG23 . 27397 1 920 . 1 . 1 86 86 VAL C C 13 177.940 0.000 . 1 . . . . . 309 Val C . 27397 1 921 . 1 . 1 86 86 VAL CA C 13 66.707 0.048 . 1 . . . . . 309 Val CA . 27397 1 922 . 1 . 1 86 86 VAL CB C 13 31.815 0.063 . 1 . . . . . 309 Val CB . 27397 1 923 . 1 . 1 86 86 VAL CG1 C 13 21.219 0.010 . 2 . . . . . 309 Val CG1 . 27397 1 924 . 1 . 1 86 86 VAL CG2 C 13 23.116 0.009 . 2 . . . . . 309 Val CG2 . 27397 1 925 . 1 . 1 86 86 VAL N N 15 116.244 0.062 . 1 . . . . . 309 Val N . 27397 1 926 . 1 . 1 87 87 ALA H H 1 8.104 0.003 . 1 . . . . . 310 Ala H . 27397 1 927 . 1 . 1 87 87 ALA HA H 1 3.977 0.007 . 1 . . . . . 310 Ala HA . 27397 1 928 . 1 . 1 87 87 ALA HB1 H 1 1.440 0.003 . 1 . . . . . 310 Ala HB1 . 27397 1 929 . 1 . 1 87 87 ALA HB2 H 1 1.440 0.003 . 1 . . . . . 310 Ala HB2 . 27397 1 930 . 1 . 1 87 87 ALA HB3 H 1 1.440 0.003 . 1 . . . . . 310 Ala HB3 . 27397 1 931 . 1 . 1 87 87 ALA C C 13 178.953 0.000 . 1 . . . . . 310 Ala C . 27397 1 932 . 1 . 1 87 87 ALA CA C 13 54.584 0.014 . 1 . . . . . 310 Ala CA . 27397 1 933 . 1 . 1 87 87 ALA CB C 13 17.809 0.012 . 1 . . . . . 310 Ala CB . 27397 1 934 . 1 . 1 87 87 ALA N N 15 119.429 0.030 . 1 . . . . . 310 Ala N . 27397 1 935 . 1 . 1 88 88 ALA H H 1 7.369 0.003 . 1 . . . . . 311 Ala H . 27397 1 936 . 1 . 1 88 88 ALA HA H 1 4.066 0.004 . 1 . . . . . 311 Ala HA . 27397 1 937 . 1 . 1 88 88 ALA HB1 H 1 1.647 0.005 . 1 . . . . . 311 Ala HB1 . 27397 1 938 . 1 . 1 88 88 ALA HB2 H 1 1.647 0.005 . 1 . . . . . 311 Ala HB2 . 27397 1 939 . 1 . 1 88 88 ALA HB3 H 1 1.647 0.005 . 1 . . . . . 311 Ala HB3 . 27397 1 940 . 1 . 1 88 88 ALA C C 13 178.165 0.000 . 1 . . . . . 311 Ala C . 27397 1 941 . 1 . 1 88 88 ALA CA C 13 54.786 0.038 . 1 . . . . . 311 Ala CA . 27397 1 942 . 1 . 1 88 88 ALA CB C 13 17.320 0.032 . 1 . . . . . 311 Ala CB . 27397 1 943 . 1 . 1 88 88 ALA N N 15 119.135 0.084 . 1 . . . . . 311 Ala N . 27397 1 944 . 1 . 1 89 89 VAL H H 1 7.085 0.004 . 1 . . . . . 312 Val H . 27397 1 945 . 1 . 1 89 89 VAL HA H 1 3.533 0.004 . 1 . . . . . 312 Val HA . 27397 1 946 . 1 . 1 89 89 VAL HB H 1 2.084 0.003 . 1 . . . . . 312 Val HB . 27397 1 947 . 1 . 1 89 89 VAL HG11 H 1 1.100 0.010 . 2 . . . . . 312 Val HG11 . 27397 1 948 . 1 . 1 89 89 VAL HG12 H 1 1.100 0.010 . 2 . . . . . 312 Val HG12 . 27397 1 949 . 1 . 1 89 89 VAL HG13 H 1 1.100 0.010 . 2 . . . . . 312 Val HG13 . 27397 1 950 . 1 . 1 89 89 VAL HG21 H 1 0.938 0.007 . 2 . . . . . 312 Val HG21 . 27397 1 951 . 1 . 1 89 89 VAL HG22 H 1 0.938 0.007 . 2 . . . . . 312 Val HG22 . 27397 1 952 . 1 . 1 89 89 VAL HG23 H 1 0.938 0.007 . 2 . . . . . 312 Val HG23 . 27397 1 953 . 1 . 1 89 89 VAL C C 13 178.360 0.000 . 1 . . . . . 312 Val C . 27397 1 954 . 1 . 1 89 89 VAL CA C 13 66.005 0.019 . 1 . . . . . 312 Val CA . 27397 1 955 . 1 . 1 89 89 VAL CB C 13 31.307 0.040 . 1 . . . . . 312 Val CB . 27397 1 956 . 1 . 1 89 89 VAL CG1 C 13 22.509 0.280 . 2 . . . . . 312 Val CG1 . 27397 1 957 . 1 . 1 89 89 VAL CG2 C 13 22.993 0.025 . 2 . . . . . 312 Val CG2 . 27397 1 958 . 1 . 1 89 89 VAL N N 15 112.001 0.082 . 1 . . . . . 312 Val N . 27397 1 959 . 1 . 1 90 90 ARG H H 1 8.263 0.004 . 1 . . . . . 313 Arg H . 27397 1 960 . 1 . 1 90 90 ARG HA H 1 3.872 0.007 . 1 . . . . . 313 Arg HA . 27397 1 961 . 1 . 1 90 90 ARG HB2 H 1 1.872 0.008 . 1 . . . . . 313 Arg HB2 . 27397 1 962 . 1 . 1 90 90 ARG HB3 H 1 1.872 0.008 . 1 . . . . . 313 Arg HB3 . 27397 1 963 . 1 . 1 90 90 ARG HG2 H 1 1.586 0.004 . 2 . . . . . 313 Arg HG2 . 27397 1 964 . 1 . 1 90 90 ARG HG3 H 1 1.839 0.012 . 2 . . . . . 313 Arg HG3 . 27397 1 965 . 1 . 1 90 90 ARG HD2 H 1 3.190 0.013 . 2 . . . . . 313 Arg HD2 . 27397 1 966 . 1 . 1 90 90 ARG HD3 H 1 3.047 0.006 . 2 . . . . . 313 Arg HD3 . 27397 1 967 . 1 . 1 90 90 ARG C C 13 179.672 0.000 . 1 . . . . . 313 Arg C . 27397 1 968 . 1 . 1 90 90 ARG CA C 13 58.323 0.035 . 1 . . . . . 313 Arg CA . 27397 1 969 . 1 . 1 90 90 ARG CB C 13 28.904 0.034 . 1 . . . . . 313 Arg CB . 27397 1 970 . 1 . 1 90 90 ARG CG C 13 27.109 0.037 . 1 . . . . . 313 Arg CG . 27397 1 971 . 1 . 1 90 90 ARG CD C 13 42.299 0.042 . 1 . . . . . 313 Arg CD . 27397 1 972 . 1 . 1 90 90 ARG N N 15 116.802 0.107 . 1 . . . . . 313 Arg N . 27397 1 973 . 1 . 1 91 91 ASN H H 1 8.591 0.003 . 1 . . . . . 314 Asn H . 27397 1 974 . 1 . 1 91 91 ASN HA H 1 4.488 0.001 . 1 . . . . . 314 Asn HA . 27397 1 975 . 1 . 1 91 91 ASN HB2 H 1 2.835 0.007 . 2 . . . . . 314 Asn HB2 . 27397 1 976 . 1 . 1 91 91 ASN HB3 H 1 2.931 0.004 . 2 . . . . . 314 Asn HB3 . 27397 1 977 . 1 . 1 91 91 ASN HD21 H 1 7.588 0.001 . 1 . . . . . 314 Asn HD21 . 27397 1 978 . 1 . 1 91 91 ASN HD22 H 1 6.914 0.004 . 1 . . . . . 314 Asn HD22 . 27397 1 979 . 1 . 1 91 91 ASN C C 13 177.360 0.000 . 1 . . . . . 314 Asn C . 27397 1 980 . 1 . 1 91 91 ASN CA C 13 54.230 0.059 . 1 . . . . . 314 Asn CA . 27397 1 981 . 1 . 1 91 91 ASN CB C 13 37.646 0.079 . 1 . . . . . 314 Asn CB . 27397 1 982 . 1 . 1 91 91 ASN N N 15 117.035 0.027 . 1 . . . . . 314 Asn N . 27397 1 983 . 1 . 1 91 91 ASN ND2 N 15 110.589 0.004 . 1 . . . . . 314 Asn ND2 . 27397 1 984 . 1 . 1 92 92 VAL H H 1 7.455 0.008 . 1 . . . . . 315 Val H . 27397 1 985 . 1 . 1 92 92 VAL HA H 1 3.723 0.009 . 1 . . . . . 315 Val HA . 27397 1 986 . 1 . 1 92 92 VAL HB H 1 2.234 0.004 . 1 . . . . . 315 Val HB . 27397 1 987 . 1 . 1 92 92 VAL HG11 H 1 1.070 0.011 . 2 . . . . . 315 Val HG11 . 27397 1 988 . 1 . 1 92 92 VAL HG12 H 1 1.070 0.011 . 2 . . . . . 315 Val HG12 . 27397 1 989 . 1 . 1 92 92 VAL HG13 H 1 1.070 0.011 . 2 . . . . . 315 Val HG13 . 27397 1 990 . 1 . 1 92 92 VAL HG21 H 1 0.890 0.018 . 2 . . . . . 315 Val HG21 . 27397 1 991 . 1 . 1 92 92 VAL HG22 H 1 0.890 0.018 . 2 . . . . . 315 Val HG22 . 27397 1 992 . 1 . 1 92 92 VAL HG23 H 1 0.890 0.018 . 2 . . . . . 315 Val HG23 . 27397 1 993 . 1 . 1 92 92 VAL C C 13 178.913 0.000 . 1 . . . . . 315 Val C . 27397 1 994 . 1 . 1 92 92 VAL CA C 13 65.793 0.027 . 1 . . . . . 315 Val CA . 27397 1 995 . 1 . 1 92 92 VAL CB C 13 31.375 0.066 . 1 . . . . . 315 Val CB . 27397 1 996 . 1 . 1 92 92 VAL CG1 C 13 23.668 0.042 . 2 . . . . . 315 Val CG1 . 27397 1 997 . 1 . 1 92 92 VAL CG2 C 13 22.007 0.001 . 2 . . . . . 315 Val CG2 . 27397 1 998 . 1 . 1 92 92 VAL N N 15 121.560 0.032 . 1 . . . . . 315 Val N . 27397 1 999 . 1 . 1 93 93 GLY H H 1 7.321 0.005 . 1 . . . . . 316 Gly H . 27397 1 1000 . 1 . 1 93 93 GLY HA2 H 1 4.344 0.009 . 2 . . . . . 316 Gly HA2 . 27397 1 1001 . 1 . 1 93 93 GLY HA3 H 1 3.544 0.004 . 2 . . . . . 316 Gly HA3 . 27397 1 1002 . 1 . 1 93 93 GLY C C 13 173.942 0.000 . 1 . . . . . 316 Gly C . 27397 1 1003 . 1 . 1 93 93 GLY CA C 13 47.884 0.077 . 1 . . . . . 316 Gly CA . 27397 1 1004 . 1 . 1 93 93 GLY N N 15 106.073 0.071 . 1 . . . . . 316 Gly N . 27397 1 1005 . 1 . 1 94 94 ARG H H 1 8.631 0.005 . 1 . . . . . 317 Arg H . 27397 1 1006 . 1 . 1 94 94 ARG HA H 1 4.946 0.007 . 1 . . . . . 317 Arg HA . 27397 1 1007 . 1 . 1 94 94 ARG HB2 H 1 1.716 0.011 . 2 . . . . . 317 Arg HB2 . 27397 1 1008 . 1 . 1 94 94 ARG HB3 H 1 1.717 0.011 . 2 . . . . . 317 Arg HB3 . 27397 1 1009 . 1 . 1 94 94 ARG HG2 H 1 1.187 0.008 . 2 . . . . . 317 Arg HG2 . 27397 1 1010 . 1 . 1 94 94 ARG HG3 H 1 1.189 0.006 . 2 . . . . . 317 Arg HG3 . 27397 1 1011 . 1 . 1 94 94 ARG HD2 H 1 3.055 0.013 . 2 . . . . . 317 Arg HD2 . 27397 1 1012 . 1 . 1 94 94 ARG HD3 H 1 3.087 0.009 . 2 . . . . . 317 Arg HD3 . 27397 1 1013 . 1 . 1 94 94 ARG C C 13 174.172 0.000 . 1 . . . . . 317 Arg C . 27397 1 1014 . 1 . 1 94 94 ARG CA C 13 54.806 0.063 . 1 . . . . . 317 Arg CA . 27397 1 1015 . 1 . 1 94 94 ARG CB C 13 32.310 0.027 . 1 . . . . . 317 Arg CB . 27397 1 1016 . 1 . 1 94 94 ARG CG C 13 27.324 0.037 . 1 . . . . . 317 Arg CG . 27397 1 1017 . 1 . 1 94 94 ARG CD C 13 43.004 0.071 . 1 . . . . . 317 Arg CD . 27397 1 1018 . 1 . 1 94 94 ARG N N 15 124.560 0.030 . 1 . . . . . 317 Arg N . 27397 1 1019 . 1 . 1 95 95 ILE H H 1 8.606 0.009 . 1 . . . . . 318 Ile H . 27397 1 1020 . 1 . 1 95 95 ILE HA H 1 4.483 0.006 . 1 . . . . . 318 Ile HA . 27397 1 1021 . 1 . 1 95 95 ILE HB H 1 1.900 0.005 . 1 . . . . . 318 Ile HB . 27397 1 1022 . 1 . 1 95 95 ILE HG12 H 1 1.388 0.008 . 2 . . . . . 318 Ile HG12 . 27397 1 1023 . 1 . 1 95 95 ILE HG13 H 1 0.975 0.009 . 2 . . . . . 318 Ile HG13 . 27397 1 1024 . 1 . 1 95 95 ILE HG21 H 1 0.823 0.010 . 1 . . . . . 318 Ile HG21 . 27397 1 1025 . 1 . 1 95 95 ILE HG22 H 1 0.823 0.010 . 1 . . . . . 318 Ile HG22 . 27397 1 1026 . 1 . 1 95 95 ILE HG23 H 1 0.823 0.010 . 1 . . . . . 318 Ile HG23 . 27397 1 1027 . 1 . 1 95 95 ILE HD11 H 1 0.820 0.024 . 1 . . . . . 318 Ile HD11 . 27397 1 1028 . 1 . 1 95 95 ILE HD12 H 1 0.820 0.024 . 1 . . . . . 318 Ile HD12 . 27397 1 1029 . 1 . 1 95 95 ILE HD13 H 1 0.820 0.024 . 1 . . . . . 318 Ile HD13 . 27397 1 1030 . 1 . 1 95 95 ILE CA C 13 57.848 0.008 . 1 . . . . . 318 Ile CA . 27397 1 1031 . 1 . 1 95 95 ILE CB C 13 37.527 0.046 . 1 . . . . . 318 Ile CB . 27397 1 1032 . 1 . 1 95 95 ILE CG1 C 13 26.443 0.079 . 1 . . . . . 318 Ile CG1 . 27397 1 1033 . 1 . 1 95 95 ILE CG2 C 13 17.882 0.015 . 1 . . . . . 318 Ile CG2 . 27397 1 1034 . 1 . 1 95 95 ILE CD1 C 13 13.780 0.000 . 1 . . . . . 318 Ile CD1 . 27397 1 1035 . 1 . 1 95 95 ILE N N 15 125.160 0.045 . 1 . . . . . 318 Ile N . 27397 1 1036 . 1 . 1 96 96 PRO HA H 1 4.267 0.004 . 1 . . . . . 319 Pro HA . 27397 1 1037 . 1 . 1 96 96 PRO HB2 H 1 2.180 0.017 . 2 . . . . . 319 Pro HB2 . 27397 1 1038 . 1 . 1 96 96 PRO HB3 H 1 1.896 0.001 . 2 . . . . . 319 Pro HB3 . 27397 1 1039 . 1 . 1 96 96 PRO HG2 H 1 1.809 0.004 . 2 . . . . . 319 Pro HG2 . 27397 1 1040 . 1 . 1 96 96 PRO HG3 H 1 2.033 0.003 . 2 . . . . . 319 Pro HG3 . 27397 1 1041 . 1 . 1 96 96 PRO HD2 H 1 3.542 0.007 . 2 . . . . . 319 Pro HD2 . 27397 1 1042 . 1 . 1 96 96 PRO HD3 H 1 4.004 0.035 . 2 . . . . . 319 Pro HD3 . 27397 1 1043 . 1 . 1 96 96 PRO C C 13 178.187 0.000 . 1 . . . . . 319 Pro C . 27397 1 1044 . 1 . 1 96 96 PRO CA C 13 64.774 0.032 . 1 . . . . . 319 Pro CA . 27397 1 1045 . 1 . 1 96 96 PRO CB C 13 31.386 0.023 . 1 . . . . . 319 Pro CB . 27397 1 1046 . 1 . 1 96 96 PRO CG C 13 27.200 0.022 . 1 . . . . . 319 Pro CG . 27397 1 1047 . 1 . 1 96 96 PRO CD C 13 50.606 0.034 . 1 . . . . . 319 Pro CD . 27397 1 1048 . 1 . 1 97 97 GLU H H 1 10.155 0.003 . 1 . . . . . 320 Glu H . 27397 1 1049 . 1 . 1 97 97 GLU HA H 1 3.904 0.005 . 1 . . . . . 320 Glu HA . 27397 1 1050 . 1 . 1 97 97 GLU HB2 H 1 1.836 0.006 . 2 . . . . . 320 Glu HB2 . 27397 1 1051 . 1 . 1 97 97 GLU HB3 H 1 1.682 0.005 . 2 . . . . . 320 Glu HB3 . 27397 1 1052 . 1 . 1 97 97 GLU HG2 H 1 2.470 0.005 . 2 . . . . . 320 Glu HG2 . 27397 1 1053 . 1 . 1 97 97 GLU HG3 H 1 2.212 0.005 . 2 . . . . . 320 Glu HG3 . 27397 1 1054 . 1 . 1 97 97 GLU C C 13 177.997 0.000 . 1 . . . . . 320 Glu C . 27397 1 1055 . 1 . 1 97 97 GLU CA C 13 60.385 0.024 . 1 . . . . . 320 Glu CA . 27397 1 1056 . 1 . 1 97 97 GLU CB C 13 28.487 0.021 . 1 . . . . . 320 Glu CB . 27397 1 1057 . 1 . 1 97 97 GLU CG C 13 37.616 0.050 . 1 . . . . . 320 Glu CG . 27397 1 1058 . 1 . 1 97 97 GLU N N 15 121.187 0.078 . 1 . . . . . 320 Glu N . 27397 1 1059 . 1 . 1 98 98 MET H H 1 7.859 0.006 . 1 . . . . . 321 Met H . 27397 1 1060 . 1 . 1 98 98 MET HA H 1 4.177 0.034 . 1 . . . . . 321 Met HA . 27397 1 1061 . 1 . 1 98 98 MET HB2 H 1 1.767 0.005 . 1 . . . . . 321 Met HB2 . 27397 1 1062 . 1 . 1 98 98 MET HB3 H 1 1.768 0.005 . 1 . . . . . 321 Met HB3 . 27397 1 1063 . 1 . 1 98 98 MET HG2 H 1 2.951 0.004 . 2 . . . . . 321 Met HG2 . 27397 1 1064 . 1 . 1 98 98 MET HG3 H 1 2.522 0.003 . 2 . . . . . 321 Met HG3 . 27397 1 1065 . 1 . 1 98 98 MET HE1 H 1 1.237 0.004 . 1 . . . . . 321 Met HE1 . 27397 1 1066 . 1 . 1 98 98 MET HE2 H 1 1.237 0.004 . 1 . . . . . 321 Met HE2 . 27397 1 1067 . 1 . 1 98 98 MET HE3 H 1 1.237 0.004 . 1 . . . . . 321 Met HE3 . 27397 1 1068 . 1 . 1 98 98 MET C C 13 178.457 0.000 . 1 . . . . . 321 Met C . 27397 1 1069 . 1 . 1 98 98 MET CA C 13 56.228 0.020 . 1 . . . . . 321 Met CA . 27397 1 1070 . 1 . 1 98 98 MET CB C 13 31.616 0.024 . 1 . . . . . 321 Met CB . 27397 1 1071 . 1 . 1 98 98 MET CG C 13 32.955 0.043 . 1 . . . . . 321 Met CG . 27397 1 1072 . 1 . 1 98 98 MET CE C 13 17.599 0.021 . 1 . . . . . 321 Met CE . 27397 1 1073 . 1 . 1 98 98 MET N N 15 116.875 0.038 . 1 . . . . . 321 Met N . 27397 1 1074 . 1 . 1 99 99 GLN H H 1 7.771 0.002 . 1 . . . . . 322 Gln H . 27397 1 1075 . 1 . 1 99 99 GLN HA H 1 4.068 0.005 . 1 . . . . . 322 Gln HA . 27397 1 1076 . 1 . 1 99 99 GLN HB2 H 1 1.977 0.026 . 2 . . . . . 322 Gln HB2 . 27397 1 1077 . 1 . 1 99 99 GLN HB3 H 1 2.073 0.016 . 2 . . . . . 322 Gln HB3 . 27397 1 1078 . 1 . 1 99 99 GLN HG2 H 1 2.412 0.013 . 2 . . . . . 322 Gln HG2 . 27397 1 1079 . 1 . 1 99 99 GLN HG3 H 1 2.348 0.007 . 2 . . . . . 322 Gln HG3 . 27397 1 1080 . 1 . 1 99 99 GLN HE21 H 1 7.602 0.002 . 1 . . . . . 322 Gln HE21 . 27397 1 1081 . 1 . 1 99 99 GLN HE22 H 1 6.887 0.006 . 1 . . . . . 322 Gln HE22 . 27397 1 1082 . 1 . 1 99 99 GLN C C 13 176.364 0.000 . 1 . . . . . 322 Gln C . 27397 1 1083 . 1 . 1 99 99 GLN CA C 13 57.246 0.037 . 1 . . . . . 322 Gln CA . 27397 1 1084 . 1 . 1 99 99 GLN CB C 13 28.868 0.027 . 1 . . . . . 322 Gln CB . 27397 1 1085 . 1 . 1 99 99 GLN CG C 13 34.362 0.066 . 1 . . . . . 322 Gln CG . 27397 1 1086 . 1 . 1 99 99 GLN N N 15 115.907 0.055 . 1 . . . . . 322 Gln N . 27397 1 1087 . 1 . 1 99 99 GLN NE2 N 15 110.980 0.001 . 1 . . . . . 322 Gln NE2 . 27397 1 1088 . 1 . 1 100 100 GLN H H 1 7.305 0.006 . 1 . . . . . 323 Gln H . 27397 1 1089 . 1 . 1 100 100 GLN HA H 1 4.270 0.002 . 1 . . . . . 323 Gln HA . 27397 1 1090 . 1 . 1 100 100 GLN HB2 H 1 2.162 0.094 . 1 . . . . . 323 Gln HB2 . 27397 1 1091 . 1 . 1 100 100 GLN HB3 H 1 2.045 0.009 . 1 . . . . . 323 Gln HB3 . 27397 1 1092 . 1 . 1 100 100 GLN HG2 H 1 2.418 0.026 . 2 . . . . . 323 Gln HG2 . 27397 1 1093 . 1 . 1 100 100 GLN HG3 H 1 2.280 0.016 . 2 . . . . . 323 Gln HG3 . 27397 1 1094 . 1 . 1 100 100 GLN HE21 H 1 7.582 0.000 . 1 . . . . . 323 Gln HE21 . 27397 1 1095 . 1 . 1 100 100 GLN HE22 H 1 6.857 0.000 . 1 . . . . . 323 Gln HE22 . 27397 1 1096 . 1 . 1 100 100 GLN C C 13 176.392 0.000 . 1 . . . . . 323 Gln C . 27397 1 1097 . 1 . 1 100 100 GLN CA C 13 55.421 0.021 . 1 . . . . . 323 Gln CA . 27397 1 1098 . 1 . 1 100 100 GLN CB C 13 28.925 0.054 . 1 . . . . . 323 Gln CB . 27397 1 1099 . 1 . 1 100 100 GLN CG C 13 33.810 0.060 . 1 . . . . . 323 Gln CG . 27397 1 1100 . 1 . 1 100 100 GLN N N 15 114.544 0.063 . 1 . . . . . 323 Gln N . 27397 1 1101 . 1 . 1 100 100 GLN NE2 N 15 112.920 0.003 . 1 . . . . . 323 Gln NE2 . 27397 1 1102 . 1 . 1 101 101 LEU H H 1 7.434 0.004 . 1 . . . . . 324 Leu H . 27397 1 1103 . 1 . 1 101 101 LEU HA H 1 4.618 0.005 . 1 . . . . . 324 Leu HA . 27397 1 1104 . 1 . 1 101 101 LEU HB2 H 1 1.866 0.015 . 2 . . . . . 324 Leu HB2 . 27397 1 1105 . 1 . 1 101 101 LEU HB3 H 1 1.503 0.005 . 2 . . . . . 324 Leu HB3 . 27397 1 1106 . 1 . 1 101 101 LEU HG H 1 1.810 0.005 . 1 . . . . . 324 Leu HG . 27397 1 1107 . 1 . 1 101 101 LEU HD11 H 1 1.144 0.007 . 2 . . . . . 324 Leu HD11 . 27397 1 1108 . 1 . 1 101 101 LEU HD12 H 1 1.144 0.007 . 2 . . . . . 324 Leu HD12 . 27397 1 1109 . 1 . 1 101 101 LEU HD13 H 1 1.144 0.007 . 2 . . . . . 324 Leu HD13 . 27397 1 1110 . 1 . 1 101 101 LEU HD21 H 1 0.963 0.013 . 2 . . . . . 324 Leu HD21 . 27397 1 1111 . 1 . 1 101 101 LEU HD22 H 1 0.963 0.013 . 2 . . . . . 324 Leu HD22 . 27397 1 1112 . 1 . 1 101 101 LEU HD23 H 1 0.963 0.013 . 2 . . . . . 324 Leu HD23 . 27397 1 1113 . 1 . 1 101 101 LEU CA C 13 52.463 0.015 . 1 . . . . . 324 Leu CA . 27397 1 1114 . 1 . 1 101 101 LEU CB C 13 42.584 0.035 . 1 . . . . . 324 Leu CB . 27397 1 1115 . 1 . 1 101 101 LEU CG C 13 26.511 0.023 . 1 . . . . . 324 Leu CG . 27397 1 1116 . 1 . 1 101 101 LEU CD1 C 13 27.739 0.017 . 2 . . . . . 324 Leu CD1 . 27397 1 1117 . 1 . 1 101 101 LEU CD2 C 13 23.103 0.075 . 2 . . . . . 324 Leu CD2 . 27397 1 1118 . 1 . 1 101 101 LEU N N 15 120.340 0.042 . 1 . . . . . 324 Leu N . 27397 1 1119 . 1 . 1 102 102 PRO HA H 1 4.566 0.007 . 1 . . . . . 325 Pro HA . 27397 1 1120 . 1 . 1 102 102 PRO HB2 H 1 2.519 0.004 . 2 . . . . . 325 Pro HB2 . 27397 1 1121 . 1 . 1 102 102 PRO HB3 H 1 2.010 0.006 . 2 . . . . . 325 Pro HB3 . 27397 1 1122 . 1 . 1 102 102 PRO HG2 H 1 2.215 0.015 . 2 . . . . . 325 Pro HG2 . 27397 1 1123 . 1 . 1 102 102 PRO HG3 H 1 2.149 0.023 . 2 . . . . . 325 Pro HG3 . 27397 1 1124 . 1 . 1 102 102 PRO HD2 H 1 4.091 0.030 . 2 . . . . . 325 Pro HD2 . 27397 1 1125 . 1 . 1 102 102 PRO HD3 H 1 3.533 0.004 . 2 . . . . . 325 Pro HD3 . 27397 1 1126 . 1 . 1 102 102 PRO C C 13 178.122 0.000 . 1 . . . . . 325 Pro C . 27397 1 1127 . 1 . 1 102 102 PRO CA C 13 62.183 0.016 . 1 . . . . . 325 Pro CA . 27397 1 1128 . 1 . 1 102 102 PRO CB C 13 31.814 0.024 . 1 . . . . . 325 Pro CB . 27397 1 1129 . 1 . 1 102 102 PRO CG C 13 27.766 0.034 . 1 . . . . . 325 Pro CG . 27397 1 1130 . 1 . 1 102 102 PRO CD C 13 50.596 0.038 . 1 . . . . . 325 Pro CD . 27397 1 1131 . 1 . 1 103 103 ARG H H 1 8.917 0.005 . 1 . . . . . 326 Arg H . 27397 1 1132 . 1 . 1 103 103 ARG HA H 1 4.265 0.004 . 1 . . . . . 326 Arg HA . 27397 1 1133 . 1 . 1 103 103 ARG HB2 H 1 1.985 0.005 . 2 . . . . . 326 Arg HB2 . 27397 1 1134 . 1 . 1 103 103 ARG HB3 H 1 1.871 0.004 . 2 . . . . . 326 Arg HB3 . 27397 1 1135 . 1 . 1 103 103 ARG HG2 H 1 1.795 0.003 . 2 . . . . . 326 Arg HG2 . 27397 1 1136 . 1 . 1 103 103 ARG HG3 H 1 1.712 0.007 . 2 . . . . . 326 Arg HG3 . 27397 1 1137 . 1 . 1 103 103 ARG HD2 H 1 3.438 0.003 . 2 . . . . . 326 Arg HD2 . 27397 1 1138 . 1 . 1 103 103 ARG HD3 H 1 3.263 0.003 . 2 . . . . . 326 Arg HD3 . 27397 1 1139 . 1 . 1 103 103 ARG HE H 1 8.016 0.002 . 1 . . . . . 326 Arg HE . 27397 1 1140 . 1 . 1 103 103 ARG C C 13 177.814 0.000 . 1 . . . . . 326 Arg C . 27397 1 1141 . 1 . 1 103 103 ARG CA C 13 57.736 0.030 . 1 . . . . . 326 Arg CA . 27397 1 1142 . 1 . 1 103 103 ARG CB C 13 28.402 0.036 . 1 . . . . . 326 Arg CB . 27397 1 1143 . 1 . 1 103 103 ARG CG C 13 26.036 0.031 . 1 . . . . . 326 Arg CG . 27397 1 1144 . 1 . 1 103 103 ARG CD C 13 41.194 0.056 . 1 . . . . . 326 Arg CD . 27397 1 1145 . 1 . 1 103 103 ARG N N 15 126.583 0.029 . 1 . . . . . 326 Arg N . 27397 1 1146 . 1 . 1 103 103 ARG NE N 15 84.250 0.000 . 1 . . . . . 326 Arg NE . 27397 1 1147 . 1 . 1 104 104 ALA H H 1 9.069 0.005 . 1 . . . . . 327 Ala H . 27397 1 1148 . 1 . 1 104 104 ALA HA H 1 4.272 0.003 . 1 . . . . . 327 Ala HA . 27397 1 1149 . 1 . 1 104 104 ALA HB1 H 1 1.459 0.006 . 1 . . . . . 327 Ala HB1 . 27397 1 1150 . 1 . 1 104 104 ALA HB2 H 1 1.459 0.006 . 1 . . . . . 327 Ala HB2 . 27397 1 1151 . 1 . 1 104 104 ALA HB3 H 1 1.459 0.006 . 1 . . . . . 327 Ala HB3 . 27397 1 1152 . 1 . 1 104 104 ALA C C 13 181.066 0.000 . 1 . . . . . 327 Ala C . 27397 1 1153 . 1 . 1 104 104 ALA CA C 13 54.979 0.045 . 1 . . . . . 327 Ala CA . 27397 1 1154 . 1 . 1 104 104 ALA CB C 13 17.830 0.034 . 1 . . . . . 327 Ala CB . 27397 1 1155 . 1 . 1 104 104 ALA N N 15 118.638 0.026 . 1 . . . . . 327 Ala N . 27397 1 1156 . 1 . 1 105 105 THR H H 1 7.168 0.004 . 1 . . . . . 328 Thr H . 27397 1 1157 . 1 . 1 105 105 THR HA H 1 4.043 0.008 . 1 . . . . . 328 Thr HA . 27397 1 1158 . 1 . 1 105 105 THR HB H 1 4.258 0.021 . 1 . . . . . 328 Thr HB . 27397 1 1159 . 1 . 1 105 105 THR HG21 H 1 1.427 0.009 . 1 . . . . . 328 Thr HG21 . 27397 1 1160 . 1 . 1 105 105 THR HG22 H 1 1.427 0.009 . 1 . . . . . 328 Thr HG22 . 27397 1 1161 . 1 . 1 105 105 THR HG23 H 1 1.427 0.009 . 1 . . . . . 328 Thr HG23 . 27397 1 1162 . 1 . 1 105 105 THR C C 13 175.658 0.000 . 1 . . . . . 328 Thr C . 27397 1 1163 . 1 . 1 105 105 THR CA C 13 65.774 0.057 . 1 . . . . . 328 Thr CA . 27397 1 1164 . 1 . 1 105 105 THR CB C 13 68.319 0.072 . 1 . . . . . 328 Thr CB . 27397 1 1165 . 1 . 1 105 105 THR CG2 C 13 22.913 0.015 . 1 . . . . . 328 Thr CG2 . 27397 1 1166 . 1 . 1 105 105 THR N N 15 114.908 0.051 . 1 . . . . . 328 Thr N . 27397 1 1167 . 1 . 1 106 106 PHE H H 1 8.249 0.006 . 1 . . . . . 329 Phe H . 27397 1 1168 . 1 . 1 106 106 PHE HA H 1 4.047 0.010 . 1 . . . . . 329 Phe HA . 27397 1 1169 . 1 . 1 106 106 PHE HB2 H 1 3.235 0.015 . 2 . . . . . 329 Phe HB2 . 27397 1 1170 . 1 . 1 106 106 PHE HB3 H 1 3.259 0.018 . 2 . . . . . 329 Phe HB3 . 27397 1 1171 . 1 . 1 106 106 PHE HD1 H 1 7.402 0.019 . 1 . . . . . 329 Phe HD1 . 27397 1 1172 . 1 . 1 106 106 PHE HD2 H 1 7.402 0.019 . 1 . . . . . 329 Phe HD2 . 27397 1 1173 . 1 . 1 106 106 PHE HE1 H 1 7.047 0.001 . 1 . . . . . 329 Phe HE1 . 27397 1 1174 . 1 . 1 106 106 PHE HE2 H 1 7.047 0.001 . 1 . . . . . 329 Phe HE2 . 27397 1 1175 . 1 . 1 106 106 PHE C C 13 177.573 0.000 . 1 . . . . . 329 Phe C . 27397 1 1176 . 1 . 1 106 106 PHE CA C 13 63.187 0.051 . 1 . . . . . 329 Phe CA . 27397 1 1177 . 1 . 1 106 106 PHE CB C 13 39.093 0.045 . 1 . . . . . 329 Phe CB . 27397 1 1178 . 1 . 1 106 106 PHE CD1 C 13 132.188 0.000 . 1 . . . . . 329 Phe CD1 . 27397 1 1179 . 1 . 1 106 106 PHE CD2 C 13 132.188 0.000 . 1 . . . . . 329 Phe CD2 . 27397 1 1180 . 1 . 1 106 106 PHE CE1 C 13 131.062 0.000 . 1 . . . . . 329 Phe CE1 . 27397 1 1181 . 1 . 1 106 106 PHE CE2 C 13 131.062 0.000 . 1 . . . . . 329 Phe CE2 . 27397 1 1182 . 1 . 1 106 106 PHE N N 15 122.787 0.055 . 1 . . . . . 329 Phe N . 27397 1 1183 . 1 . 1 107 107 ASP H H 1 9.300 0.003 . 1 . . . . . 330 Asp H . 27397 1 1184 . 1 . 1 107 107 ASP HA H 1 4.237 0.010 . 1 . . . . . 330 Asp HA . 27397 1 1185 . 1 . 1 107 107 ASP HB2 H 1 2.725 0.014 . 2 . . . . . 330 Asp HB2 . 27397 1 1186 . 1 . 1 107 107 ASP HB3 H 1 2.602 0.006 . 2 . . . . . 330 Asp HB3 . 27397 1 1187 . 1 . 1 107 107 ASP C C 13 177.927 0.000 . 1 . . . . . 330 Asp C . 27397 1 1188 . 1 . 1 107 107 ASP CA C 13 57.103 0.019 . 1 . . . . . 330 Asp CA . 27397 1 1189 . 1 . 1 107 107 ASP CB C 13 39.833 0.028 . 1 . . . . . 330 Asp CB . 27397 1 1190 . 1 . 1 107 107 ASP N N 15 119.693 0.032 . 1 . . . . . 330 Asp N . 27397 1 1191 . 1 . 1 108 108 SER H H 1 7.349 0.008 . 1 . . . . . 331 Ser H . 27397 1 1192 . 1 . 1 108 108 SER HA H 1 4.302 0.007 . 1 . . . . . 331 Ser HA . 27397 1 1193 . 1 . 1 108 108 SER HB2 H 1 3.924 0.011 . 2 . . . . . 331 Ser HB2 . 27397 1 1194 . 1 . 1 108 108 SER HB3 H 1 3.887 0.015 . 2 . . . . . 331 Ser HB3 . 27397 1 1195 . 1 . 1 108 108 SER C C 13 176.444 0.000 . 1 . . . . . 331 Ser C . 27397 1 1196 . 1 . 1 108 108 SER CA C 13 59.940 0.101 . 1 . . . . . 331 Ser CA . 27397 1 1197 . 1 . 1 108 108 SER CB C 13 63.688 0.065 . 1 . . . . . 331 Ser CB . 27397 1 1198 . 1 . 1 108 108 SER N N 15 111.802 0.032 . 1 . . . . . 331 Ser N . 27397 1 1199 . 1 . 1 109 109 LEU H H 1 7.721 0.005 . 1 . . . . . 332 Leu H . 27397 1 1200 . 1 . 1 109 109 LEU HA H 1 4.059 0.005 . 1 . . . . . 332 Leu HA . 27397 1 1201 . 1 . 1 109 109 LEU HB2 H 1 1.114 0.010 . 2 . . . . . 332 Leu HB2 . 27397 1 1202 . 1 . 1 109 109 LEU HB3 H 1 0.078 0.009 . 2 . . . . . 332 Leu HB3 . 27397 1 1203 . 1 . 1 109 109 LEU HG H 1 1.414 0.006 . 1 . . . . . 332 Leu HG . 27397 1 1204 . 1 . 1 109 109 LEU HD11 H 1 0.720 0.005 . 2 . . . . . 332 Leu HD11 . 27397 1 1205 . 1 . 1 109 109 LEU HD12 H 1 0.720 0.005 . 2 . . . . . 332 Leu HD12 . 27397 1 1206 . 1 . 1 109 109 LEU HD13 H 1 0.720 0.005 . 2 . . . . . 332 Leu HD13 . 27397 1 1207 . 1 . 1 109 109 LEU HD21 H 1 0.546 0.006 . 2 . . . . . 332 Leu HD21 . 27397 1 1208 . 1 . 1 109 109 LEU HD22 H 1 0.546 0.006 . 2 . . . . . 332 Leu HD22 . 27397 1 1209 . 1 . 1 109 109 LEU HD23 H 1 0.546 0.006 . 2 . . . . . 332 Leu HD23 . 27397 1 1210 . 1 . 1 109 109 LEU C C 13 175.806 0.000 . 1 . . . . . 332 Leu C . 27397 1 1211 . 1 . 1 109 109 LEU CA C 13 56.144 0.047 . 1 . . . . . 332 Leu CA . 27397 1 1212 . 1 . 1 109 109 LEU CB C 13 44.572 0.018 . 1 . . . . . 332 Leu CB . 27397 1 1213 . 1 . 1 109 109 LEU CG C 13 26.688 0.041 . 1 . . . . . 332 Leu CG . 27397 1 1214 . 1 . 1 109 109 LEU CD1 C 13 25.583 0.029 . 2 . . . . . 332 Leu CD1 . 27397 1 1215 . 1 . 1 109 109 LEU CD2 C 13 22.671 0.021 . 2 . . . . . 332 Leu CD2 . 27397 1 1216 . 1 . 1 109 109 LEU N N 15 118.721 0.083 . 1 . . . . . 332 Leu N . 27397 1 1217 . 1 . 1 110 110 TYR H H 1 7.713 0.004 . 1 . . . . . 333 Tyr H . 27397 1 1218 . 1 . 1 110 110 TYR HA H 1 4.636 0.009 . 1 . . . . . 333 Tyr HA . 27397 1 1219 . 1 . 1 110 110 TYR HB2 H 1 3.230 0.008 . 2 . . . . . 333 Tyr HB2 . 27397 1 1220 . 1 . 1 110 110 TYR HB3 H 1 2.125 0.010 . 2 . . . . . 333 Tyr HB3 . 27397 1 1221 . 1 . 1 110 110 TYR HD1 H 1 6.746 0.014 . 1 . . . . . 333 Tyr HD1 . 27397 1 1222 . 1 . 1 110 110 TYR HD2 H 1 6.746 0.014 . 1 . . . . . 333 Tyr HD2 . 27397 1 1223 . 1 . 1 110 110 TYR HE1 H 1 6.534 0.051 . 1 . . . . . 333 Tyr HE1 . 27397 1 1224 . 1 . 1 110 110 TYR HE2 H 1 6.534 0.051 . 1 . . . . . 333 Tyr HE2 . 27397 1 1225 . 1 . 1 110 110 TYR C C 13 173.145 0.000 . 1 . . . . . 333 Tyr C . 27397 1 1226 . 1 . 1 110 110 TYR CA C 13 57.518 0.021 . 1 . . . . . 333 Tyr CA . 27397 1 1227 . 1 . 1 110 110 TYR CB C 13 42.154 0.035 . 1 . . . . . 333 Tyr CB . 27397 1 1228 . 1 . 1 110 110 TYR CD1 C 13 133.691 0.000 . 1 . . . . . 333 Tyr CD1 . 27397 1 1229 . 1 . 1 110 110 TYR CD2 C 13 133.691 0.000 . 1 . . . . . 333 Tyr CD2 . 27397 1 1230 . 1 . 1 110 110 TYR CE1 C 13 117.775 0.000 . 1 . . . . . 333 Tyr CE1 . 27397 1 1231 . 1 . 1 110 110 TYR CE2 C 13 117.775 0.000 . 1 . . . . . 333 Tyr CE2 . 27397 1 1232 . 1 . 1 110 110 TYR N N 15 114.326 0.057 . 1 . . . . . 333 Tyr N . 27397 1 1233 . 1 . 1 111 111 ARG H H 1 6.667 0.022 . 1 . . . . . 334 Arg H . 27397 1 1234 . 1 . 1 111 111 ARG HA H 1 3.654 0.008 . 1 . . . . . 334 Arg HA . 27397 1 1235 . 1 . 1 111 111 ARG HB2 H 1 1.635 0.009 . 2 . . . . . 334 Arg HB2 . 27397 1 1236 . 1 . 1 111 111 ARG HB3 H 1 1.590 0.013 . 2 . . . . . 334 Arg HB3 . 27397 1 1237 . 1 . 1 111 111 ARG HG2 H 1 1.698 0.004 . 2 . . . . . 334 Arg HG2 . 27397 1 1238 . 1 . 1 111 111 ARG HG3 H 1 1.938 0.005 . 2 . . . . . 334 Arg HG3 . 27397 1 1239 . 1 . 1 111 111 ARG HD2 H 1 3.436 0.002 . 2 . . . . . 334 Arg HD2 . 27397 1 1240 . 1 . 1 111 111 ARG HD3 H 1 3.354 0.010 . 2 . . . . . 334 Arg HD3 . 27397 1 1241 . 1 . 1 111 111 ARG C C 13 177.459 0.000 . 1 . . . . . 334 Arg C . 27397 1 1242 . 1 . 1 111 111 ARG CA C 13 59.055 0.021 . 1 . . . . . 334 Arg CA . 27397 1 1243 . 1 . 1 111 111 ARG CB C 13 29.931 0.039 . 1 . . . . . 334 Arg CB . 27397 1 1244 . 1 . 1 111 111 ARG CG C 13 26.975 0.048 . 1 . . . . . 334 Arg CG . 27397 1 1245 . 1 . 1 111 111 ARG CD C 13 43.021 0.068 . 1 . . . . . 334 Arg CD . 27397 1 1246 . 1 . 1 111 111 ARG N N 15 118.991 0.039 . 1 . . . . . 334 Arg N . 27397 1 1247 . 1 . 1 112 112 GLN H H 1 7.170 0.005 . 1 . . . . . 335 Gln H . 27397 1 1248 . 1 . 1 112 112 GLN HA H 1 5.205 0.008 . 1 . . . . . 335 Gln HA . 27397 1 1249 . 1 . 1 112 112 GLN HB2 H 1 1.913 0.015 . 2 . . . . . 335 Gln HB2 . 27397 1 1250 . 1 . 1 112 112 GLN HB3 H 1 1.815 0.008 . 2 . . . . . 335 Gln HB3 . 27397 1 1251 . 1 . 1 112 112 GLN HG2 H 1 2.237 0.003 . 2 . . . . . 335 Gln HG2 . 27397 1 1252 . 1 . 1 112 112 GLN HG3 H 1 2.238 0.004 . 2 . . . . . 335 Gln HG3 . 27397 1 1253 . 1 . 1 112 112 GLN HE21 H 1 7.568 0.014 . 1 . . . . . 335 Gln HE21 . 27397 1 1254 . 1 . 1 112 112 GLN HE22 H 1 6.808 0.002 . 1 . . . . . 335 Gln HE22 . 27397 1 1255 . 1 . 1 112 112 GLN C C 13 174.553 0.000 . 1 . . . . . 335 Gln C . 27397 1 1256 . 1 . 1 112 112 GLN CA C 13 54.386 0.074 . 1 . . . . . 335 Gln CA . 27397 1 1257 . 1 . 1 112 112 GLN CB C 13 32.243 0.028 . 1 . . . . . 335 Gln CB . 27397 1 1258 . 1 . 1 112 112 GLN CG C 13 33.977 0.030 . 1 . . . . . 335 Gln CG . 27397 1 1259 . 1 . 1 112 112 GLN N N 15 110.143 0.034 . 1 . . . . . 335 Gln N . 27397 1 1260 . 1 . 1 112 112 GLN NE2 N 15 112.247 0.031 . 1 . . . . . 335 Gln NE2 . 27397 1 1261 . 1 . 1 113 113 ARG H H 1 8.257 0.006 . 1 . . . . . 336 Arg H . 27397 1 1262 . 1 . 1 113 113 ARG HA H 1 4.258 0.006 . 1 . . . . . 336 Arg HA . 27397 1 1263 . 1 . 1 113 113 ARG HB2 H 1 1.755 0.015 . 2 . . . . . 336 Arg HB2 . 27397 1 1264 . 1 . 1 113 113 ARG HB3 H 1 1.572 0.020 . 2 . . . . . 336 Arg HB3 . 27397 1 1265 . 1 . 1 113 113 ARG HG2 H 1 1.536 0.008 . 2 . . . . . 336 Arg HG2 . 27397 1 1266 . 1 . 1 113 113 ARG HG3 H 1 1.770 0.006 . 2 . . . . . 336 Arg HG3 . 27397 1 1267 . 1 . 1 113 113 ARG HD2 H 1 3.690 0.006 . 2 . . . . . 336 Arg HD2 . 27397 1 1268 . 1 . 1 113 113 ARG HD3 H 1 3.483 0.009 . 2 . . . . . 336 Arg HD3 . 27397 1 1269 . 1 . 1 113 113 ARG HE H 1 7.032 0.014 . 1 . . . . . 336 Arg HE . 27397 1 1270 . 1 . 1 113 113 ARG C C 13 173.379 0.000 . 1 . . . . . 336 Arg C . 27397 1 1271 . 1 . 1 113 113 ARG CA C 13 53.403 0.012 . 1 . . . . . 336 Arg CA . 27397 1 1272 . 1 . 1 113 113 ARG CB C 13 33.220 0.044 . 1 . . . . . 336 Arg CB . 27397 1 1273 . 1 . 1 113 113 ARG CG C 13 25.853 0.050 . 1 . . . . . 336 Arg CG . 27397 1 1274 . 1 . 1 113 113 ARG CD C 13 40.910 0.076 . 1 . . . . . 336 Arg CD . 27397 1 1275 . 1 . 1 113 113 ARG N N 15 121.572 0.057 . 1 . . . . . 336 Arg N . 27397 1 1276 . 1 . 1 113 113 ARG NE N 15 82.580 0.000 . 1 . . . . . 336 Arg NE . 27397 1 1277 . 1 . 1 114 114 ARG H H 1 8.128 0.004 . 1 . . . . . 337 Arg H . 27397 1 1278 . 1 . 1 114 114 ARG HA H 1 4.937 0.006 . 1 . . . . . 337 Arg HA . 27397 1 1279 . 1 . 1 114 114 ARG HB2 H 1 1.584 0.007 . 2 . . . . . 337 Arg HB2 . 27397 1 1280 . 1 . 1 114 114 ARG HB3 H 1 1.585 0.008 . 2 . . . . . 337 Arg HB3 . 27397 1 1281 . 1 . 1 114 114 ARG HG2 H 1 1.596 0.003 . 2 . . . . . 337 Arg HG2 . 27397 1 1282 . 1 . 1 114 114 ARG HG3 H 1 1.589 0.007 . 2 . . . . . 337 Arg HG3 . 27397 1 1283 . 1 . 1 114 114 ARG HD2 H 1 3.152 0.005 . 2 . . . . . 337 Arg HD2 . 27397 1 1284 . 1 . 1 114 114 ARG HD3 H 1 3.141 0.014 . 2 . . . . . 337 Arg HD3 . 27397 1 1285 . 1 . 1 114 114 ARG C C 13 175.112 0.000 . 1 . . . . . 337 Arg C . 27397 1 1286 . 1 . 1 114 114 ARG CA C 13 55.364 0.015 . 1 . . . . . 337 Arg CA . 27397 1 1287 . 1 . 1 114 114 ARG CB C 13 32.082 0.047 . 1 . . . . . 337 Arg CB . 27397 1 1288 . 1 . 1 114 114 ARG CG C 13 27.157 0.031 . 1 . . . . . 337 Arg CG . 27397 1 1289 . 1 . 1 114 114 ARG CD C 13 43.317 0.095 . 1 . . . . . 337 Arg CD . 27397 1 1290 . 1 . 1 114 114 ARG N N 15 126.017 0.089 . 1 . . . . . 337 Arg N . 27397 1 1291 . 1 . 1 115 115 ILE H H 1 9.451 0.003 . 1 . . . . . 338 Ile H . 27397 1 1292 . 1 . 1 115 115 ILE HA H 1 4.660 0.005 . 1 . . . . . 338 Ile HA . 27397 1 1293 . 1 . 1 115 115 ILE HB H 1 1.661 0.016 . 1 . . . . . 338 Ile HB . 27397 1 1294 . 1 . 1 115 115 ILE HG12 H 1 0.847 0.010 . 2 . . . . . 338 Ile HG12 . 27397 1 1295 . 1 . 1 115 115 ILE HG13 H 1 1.497 0.012 . 2 . . . . . 338 Ile HG13 . 27397 1 1296 . 1 . 1 115 115 ILE HG21 H 1 0.274 0.019 . 1 . . . . . 338 Ile HG21 . 27397 1 1297 . 1 . 1 115 115 ILE HG22 H 1 0.274 0.019 . 1 . . . . . 338 Ile HG22 . 27397 1 1298 . 1 . 1 115 115 ILE HG23 H 1 0.274 0.019 . 1 . . . . . 338 Ile HG23 . 27397 1 1299 . 1 . 1 115 115 ILE HD11 H 1 0.613 0.004 . 1 . . . . . 338 Ile HD11 . 27397 1 1300 . 1 . 1 115 115 ILE HD12 H 1 0.613 0.004 . 1 . . . . . 338 Ile HD12 . 27397 1 1301 . 1 . 1 115 115 ILE HD13 H 1 0.613 0.004 . 1 . . . . . 338 Ile HD13 . 27397 1 1302 . 1 . 1 115 115 ILE C C 13 174.597 0.000 . 1 . . . . . 338 Ile C . 27397 1 1303 . 1 . 1 115 115 ILE CA C 13 59.589 0.011 . 1 . . . . . 338 Ile CA . 27397 1 1304 . 1 . 1 115 115 ILE CB C 13 40.070 0.037 . 1 . . . . . 338 Ile CB . 27397 1 1305 . 1 . 1 115 115 ILE CG1 C 13 26.343 0.093 . 1 . . . . . 338 Ile CG1 . 27397 1 1306 . 1 . 1 115 115 ILE CG2 C 13 18.737 0.050 . 1 . . . . . 338 Ile CG2 . 27397 1 1307 . 1 . 1 115 115 ILE CD1 C 13 13.254 0.025 . 1 . . . . . 338 Ile CD1 . 27397 1 1308 . 1 . 1 115 115 ILE N N 15 121.586 0.076 . 1 . . . . . 338 Ile N . 27397 1 1309 . 1 . 1 116 116 ILE H H 1 9.438 0.009 . 1 . . . . . 339 Ile H . 27397 1 1310 . 1 . 1 116 116 ILE HA H 1 4.755 0.005 . 1 . . . . . 339 Ile HA . 27397 1 1311 . 1 . 1 116 116 ILE HB H 1 1.713 0.003 . 1 . . . . . 339 Ile HB . 27397 1 1312 . 1 . 1 116 116 ILE HG12 H 1 1.566 0.014 . 2 . . . . . 339 Ile HG12 . 27397 1 1313 . 1 . 1 116 116 ILE HG13 H 1 0.922 0.021 . 2 . . . . . 339 Ile HG13 . 27397 1 1314 . 1 . 1 116 116 ILE HG21 H 1 0.818 0.016 . 1 . . . . . 339 Ile HG21 . 27397 1 1315 . 1 . 1 116 116 ILE HG22 H 1 0.818 0.016 . 1 . . . . . 339 Ile HG22 . 27397 1 1316 . 1 . 1 116 116 ILE HG23 H 1 0.818 0.016 . 1 . . . . . 339 Ile HG23 . 27397 1 1317 . 1 . 1 116 116 ILE HD11 H 1 0.802 0.023 . 1 . . . . . 339 Ile HD11 . 27397 1 1318 . 1 . 1 116 116 ILE HD12 H 1 0.802 0.023 . 1 . . . . . 339 Ile HD12 . 27397 1 1319 . 1 . 1 116 116 ILE HD13 H 1 0.802 0.023 . 1 . . . . . 339 Ile HD13 . 27397 1 1320 . 1 . 1 116 116 ILE C C 13 174.510 0.000 . 1 . . . . . 339 Ile C . 27397 1 1321 . 1 . 1 116 116 ILE CA C 13 59.891 0.065 . 1 . . . . . 339 Ile CA . 27397 1 1322 . 1 . 1 116 116 ILE CB C 13 39.650 0.047 . 1 . . . . . 339 Ile CB . 27397 1 1323 . 1 . 1 116 116 ILE CG1 C 13 28.084 0.096 . 1 . . . . . 339 Ile CG1 . 27397 1 1324 . 1 . 1 116 116 ILE CG2 C 13 16.929 0.016 . 1 . . . . . 339 Ile CG2 . 27397 1 1325 . 1 . 1 116 116 ILE CD1 C 13 13.285 0.060 . 1 . . . . . 339 Ile CD1 . 27397 1 1326 . 1 . 1 116 116 ILE N N 15 128.217 0.043 . 1 . . . . . 339 Ile N . 27397 1 1327 . 1 . 1 117 117 PHE H H 1 9.251 0.004 . 1 . . . . . 340 Phe H . 27397 1 1328 . 1 . 1 117 117 PHE HA H 1 4.751 0.003 . 1 . . . . . 340 Phe HA . 27397 1 1329 . 1 . 1 117 117 PHE HB2 H 1 3.074 0.026 . 2 . . . . . 340 Phe HB2 . 27397 1 1330 . 1 . 1 117 117 PHE HB3 H 1 2.082 0.007 . 2 . . . . . 340 Phe HB3 . 27397 1 1331 . 1 . 1 117 117 PHE HD1 H 1 7.238 0.005 . 1 . . . . . 340 Phe HD1 . 27397 1 1332 . 1 . 1 117 117 PHE HD2 H 1 7.238 0.005 . 1 . . . . . 340 Phe HD2 . 27397 1 1333 . 1 . 1 117 117 PHE HE1 H 1 6.680 0.008 . 1 . . . . . 340 Phe HE1 . 27397 1 1334 . 1 . 1 117 117 PHE HE2 H 1 6.680 0.008 . 1 . . . . . 340 Phe HE2 . 27397 1 1335 . 1 . 1 117 117 PHE HZ H 1 6.193 0.035 . 1 . . . . . 340 Phe HZ . 27397 1 1336 . 1 . 1 117 117 PHE C C 13 175.126 0.000 . 1 . . . . . 340 Phe C . 27397 1 1337 . 1 . 1 117 117 PHE CA C 13 55.745 0.135 . 1 . . . . . 340 Phe CA . 27397 1 1338 . 1 . 1 117 117 PHE CB C 13 38.250 0.065 . 1 . . . . . 340 Phe CB . 27397 1 1339 . 1 . 1 117 117 PHE CD1 C 13 130.557 0.000 . 1 . . . . . 340 Phe CD1 . 27397 1 1340 . 1 . 1 117 117 PHE CD2 C 13 130.557 0.000 . 1 . . . . . 340 Phe CD2 . 27397 1 1341 . 1 . 1 117 117 PHE CE1 C 13 129.794 0.000 . 1 . . . . . 340 Phe CE1 . 27397 1 1342 . 1 . 1 117 117 PHE CE2 C 13 129.794 0.000 . 1 . . . . . 340 Phe CE2 . 27397 1 1343 . 1 . 1 117 117 PHE CZ C 13 129.646 0.000 . 1 . . . . . 340 Phe CZ . 27397 1 1344 . 1 . 1 117 117 PHE N N 15 128.286 0.038 . 1 . . . . . 340 Phe N . 27397 1 1345 . 1 . 1 118 118 LYS H H 1 8.726 0.006 . 1 . . . . . 341 Lys H . 27397 1 1346 . 1 . 1 118 118 LYS HA H 1 5.680 0.010 . 1 . . . . . 341 Lys HA . 27397 1 1347 . 1 . 1 118 118 LYS HB2 H 1 1.486 0.007 . 2 . . . . . 341 Lys HB2 . 27397 1 1348 . 1 . 1 118 118 LYS HB3 H 1 1.786 0.005 . 2 . . . . . 341 Lys HB3 . 27397 1 1349 . 1 . 1 118 118 LYS HG2 H 1 1.311 0.018 . 2 . . . . . 341 Lys HG2 . 27397 1 1350 . 1 . 1 118 118 LYS HG3 H 1 1.268 0.013 . 2 . . . . . 341 Lys HG3 . 27397 1 1351 . 1 . 1 118 118 LYS HD2 H 1 1.624 0.003 . 1 . . . . . 341 Lys HD2 . 27397 1 1352 . 1 . 1 118 118 LYS HD3 H 1 1.624 0.003 . 1 . . . . . 341 Lys HD3 . 27397 1 1353 . 1 . 1 118 118 LYS HE2 H 1 2.929 0.006 . 2 . . . . . 341 Lys HE2 . 27397 1 1354 . 1 . 1 118 118 LYS HE3 H 1 2.931 0.006 . 2 . . . . . 341 Lys HE3 . 27397 1 1355 . 1 . 1 118 118 LYS CA C 13 52.787 0.068 . 1 . . . . . 341 Lys CA . 27397 1 1356 . 1 . 1 118 118 LYS CB C 13 33.710 0.039 . 1 . . . . . 341 Lys CB . 27397 1 1357 . 1 . 1 118 118 LYS CG C 13 24.279 0.040 . 1 . . . . . 341 Lys CG . 27397 1 1358 . 1 . 1 118 118 LYS CD C 13 29.184 0.070 . 1 . . . . . 341 Lys CD . 27397 1 1359 . 1 . 1 118 118 LYS CE C 13 41.186 0.016 . 1 . . . . . 341 Lys CE . 27397 1 1360 . 1 . 1 118 118 LYS N N 15 123.750 0.062 . 1 . . . . . 341 Lys N . 27397 1 1361 . 1 . 1 119 119 PRO HA H 1 4.522 0.010 . 1 . . . . . 342 Pro HA . 27397 1 1362 . 1 . 1 119 119 PRO HB2 H 1 2.282 0.010 . 2 . . . . . 342 Pro HB2 . 27397 1 1363 . 1 . 1 119 119 PRO HB3 H 1 2.117 0.012 . 2 . . . . . 342 Pro HB3 . 27397 1 1364 . 1 . 1 119 119 PRO HG2 H 1 2.049 0.018 . 2 . . . . . 342 Pro HG2 . 27397 1 1365 . 1 . 1 119 119 PRO HG3 H 1 2.465 0.008 . 2 . . . . . 342 Pro HG3 . 27397 1 1366 . 1 . 1 119 119 PRO HD2 H 1 4.993 0.005 . 2 . . . . . 342 Pro HD2 . 27397 1 1367 . 1 . 1 119 119 PRO HD3 H 1 4.056 0.010 . 2 . . . . . 342 Pro HD3 . 27397 1 1368 . 1 . 1 119 119 PRO C C 13 177.108 0.000 . 1 . . . . . 342 Pro C . 27397 1 1369 . 1 . 1 119 119 PRO CA C 13 62.808 0.041 . 1 . . . . . 342 Pro CA . 27397 1 1370 . 1 . 1 119 119 PRO CB C 13 32.201 0.061 . 1 . . . . . 342 Pro CB . 27397 1 1371 . 1 . 1 119 119 PRO CG C 13 27.483 0.131 . 1 . . . . . 342 Pro CG . 27397 1 1372 . 1 . 1 119 119 PRO CD C 13 50.477 0.070 . 1 . . . . . 342 Pro CD . 27397 1 1373 . 1 . 1 120 120 GLU H H 1 8.497 0.012 . 1 . . . . . 343 Glu H . 27397 1 1374 . 1 . 1 120 120 GLU HA H 1 4.560 0.003 . 1 . . . . . 343 Glu HA . 27397 1 1375 . 1 . 1 120 120 GLU HB2 H 1 1.887 0.004 . 2 . . . . . 343 Glu HB2 . 27397 1 1376 . 1 . 1 120 120 GLU HB3 H 1 2.268 0.003 . 2 . . . . . 343 Glu HB3 . 27397 1 1377 . 1 . 1 120 120 GLU HG2 H 1 2.350 0.006 . 1 . . . . . 343 Glu HG2 . 27397 1 1378 . 1 . 1 120 120 GLU HG3 H 1 2.349 0.007 . 1 . . . . . 343 Glu HG3 . 27397 1 1379 . 1 . 1 120 120 GLU C C 13 176.432 0.000 . 1 . . . . . 343 Glu C . 27397 1 1380 . 1 . 1 120 120 GLU CA C 13 55.009 0.040 . 1 . . . . . 343 Glu CA . 27397 1 1381 . 1 . 1 120 120 GLU CB C 13 31.343 0.018 . 1 . . . . . 343 Glu CB . 27397 1 1382 . 1 . 1 120 120 GLU CG C 13 35.596 0.036 . 1 . . . . . 343 Glu CG . 27397 1 1383 . 1 . 1 120 120 GLU N N 15 118.211 0.097 . 1 . . . . . 343 Glu N . 27397 1 1384 . 1 . 1 121 121 ASP H H 1 9.292 0.007 . 1 . . . . . 344 Asp H . 27397 1 1385 . 1 . 1 121 121 ASP HA H 1 4.664 0.003 . 1 . . . . . 344 Asp HA . 27397 1 1386 . 1 . 1 121 121 ASP HB2 H 1 2.969 0.002 . 2 . . . . . 344 Asp HB2 . 27397 1 1387 . 1 . 1 121 121 ASP HB3 H 1 2.638 0.003 . 2 . . . . . 344 Asp HB3 . 27397 1 1388 . 1 . 1 121 121 ASP C C 13 176.342 0.000 . 1 . . . . . 344 Asp C . 27397 1 1389 . 1 . 1 121 121 ASP CA C 13 53.305 0.052 . 1 . . . . . 344 Asp CA . 27397 1 1390 . 1 . 1 121 121 ASP CB C 13 40.541 0.045 . 1 . . . . . 344 Asp CB . 27397 1 1391 . 1 . 1 121 121 ASP N N 15 119.640 0.069 . 1 . . . . . 344 Asp N . 27397 1 1392 . 1 . 1 122 122 LEU H H 1 8.902 0.006 . 1 . . . . . 345 Leu H . 27397 1 1393 . 1 . 1 122 122 LEU HA H 1 4.488 0.015 . 1 . . . . . 345 Leu HA . 27397 1 1394 . 1 . 1 122 122 LEU HB2 H 1 1.774 0.004 . 2 . . . . . 345 Leu HB2 . 27397 1 1395 . 1 . 1 122 122 LEU HB3 H 1 1.517 0.018 . 2 . . . . . 345 Leu HB3 . 27397 1 1396 . 1 . 1 122 122 LEU HG H 1 1.528 0.003 . 1 . . . . . 345 Leu HG . 27397 1 1397 . 1 . 1 122 122 LEU HD11 H 1 0.623 0.022 . 2 . . . . . 345 Leu HD11 . 27397 1 1398 . 1 . 1 122 122 LEU HD12 H 1 0.623 0.022 . 2 . . . . . 345 Leu HD12 . 27397 1 1399 . 1 . 1 122 122 LEU HD13 H 1 0.623 0.022 . 2 . . . . . 345 Leu HD13 . 27397 1 1400 . 1 . 1 122 122 LEU HD21 H 1 0.579 0.011 . 2 . . . . . 345 Leu HD21 . 27397 1 1401 . 1 . 1 122 122 LEU HD22 H 1 0.579 0.011 . 2 . . . . . 345 Leu HD22 . 27397 1 1402 . 1 . 1 122 122 LEU HD23 H 1 0.579 0.011 . 2 . . . . . 345 Leu HD23 . 27397 1 1403 . 1 . 1 122 122 LEU C C 13 177.595 0.000 . 1 . . . . . 345 Leu C . 27397 1 1404 . 1 . 1 122 122 LEU CA C 13 53.912 0.074 . 1 . . . . . 345 Leu CA . 27397 1 1405 . 1 . 1 122 122 LEU CB C 13 41.362 0.040 . 1 . . . . . 345 Leu CB . 27397 1 1406 . 1 . 1 122 122 LEU CG C 13 27.350 0.000 . 1 . . . . . 345 Leu CG . 27397 1 1407 . 1 . 1 122 122 LEU CD1 C 13 22.450 0.021 . 2 . . . . . 345 Leu CD1 . 27397 1 1408 . 1 . 1 122 122 LEU CD2 C 13 26.182 0.051 . 2 . . . . . 345 Leu CD2 . 27397 1 1409 . 1 . 1 122 122 LEU N N 15 123.606 0.069 . 1 . . . . . 345 Leu N . 27397 1 1410 . 1 . 1 123 123 SER H H 1 8.543 0.008 . 1 . . . . . 346 Ser H . 27397 1 1411 . 1 . 1 123 123 SER HA H 1 4.319 0.004 . 1 . . . . . 346 Ser HA . 27397 1 1412 . 1 . 1 123 123 SER HB2 H 1 3.859 0.004 . 2 . . . . . 346 Ser HB2 . 27397 1 1413 . 1 . 1 123 123 SER HB3 H 1 3.857 0.003 . 2 . . . . . 346 Ser HB3 . 27397 1 1414 . 1 . 1 123 123 SER C C 13 173.201 0.000 . 1 . . . . . 346 Ser C . 27397 1 1415 . 1 . 1 123 123 SER CA C 13 58.852 0.071 . 1 . . . . . 346 Ser CA . 27397 1 1416 . 1 . 1 123 123 SER CB C 13 63.324 0.046 . 1 . . . . . 346 Ser CB . 27397 1 1417 . 1 . 1 123 123 SER N N 15 116.312 0.077 . 1 . . . . . 346 Ser N . 27397 1 1418 . 1 . 1 124 124 LEU H H 1 7.538 0.012 . 1 . . . . . 347 Leu H . 27397 1 1419 . 1 . 1 124 124 LEU HA H 1 4.171 0.015 . 1 . . . . . 347 Leu HA . 27397 1 1420 . 1 . 1 124 124 LEU HB2 H 1 1.543 0.009 . 2 . . . . . 347 Leu HB2 . 27397 1 1421 . 1 . 1 124 124 LEU HB3 H 1 1.528 0.010 . 2 . . . . . 347 Leu HB3 . 27397 1 1422 . 1 . 1 124 124 LEU HD11 H 1 0.857 0.002 . 1 . . . . . 347 Leu HD11 . 27397 1 1423 . 1 . 1 124 124 LEU HD12 H 1 0.857 0.002 . 1 . . . . . 347 Leu HD12 . 27397 1 1424 . 1 . 1 124 124 LEU HD13 H 1 0.857 0.002 . 1 . . . . . 347 Leu HD13 . 27397 1 1425 . 1 . 1 124 124 LEU CA C 13 56.189 0.027 . 1 . . . . . 347 Leu CA . 27397 1 1426 . 1 . 1 124 124 LEU CB C 13 43.939 0.052 . 1 . . . . . 347 Leu CB . 27397 1 1427 . 1 . 1 124 124 LEU CD1 C 13 24.937 0.019 . 1 . . . . . 347 Leu CD1 . 27397 1 1428 . 1 . 1 124 124 LEU N N 15 128.325 0.040 . 1 . . . . . 347 Leu N . 27397 1 stop_ save_ save_assignedchem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignedchem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27397 _Assigned_chem_shift_list.ID 2 _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 15 '2D HNCO' . . . 27397 2 16 '2D HBHA(CO)NH' . . . 27397 2 17 '2D HNCA' . . . 27397 2 18 '2D CBCA(CO)NH' . . . 27397 2 19 '2D 1H-15N HSQC' . . . 27397 2 20 '2D 1H-13C HSQC' . . . 27397 2 21 '2D HN(CA)CO' . . . 27397 2 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 2 $Analysis . . 27397 2 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 . 2 . 2 1 1 ALA HA H 1 3.994 0.014 . 1 . . . . . 1 Ala HA . 27397 2 2 . 2 . 2 1 1 ALA HB1 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB1 . 27397 2 3 . 2 . 2 1 1 ALA HB2 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB2 . 27397 2 4 . 2 . 2 1 1 ALA HB3 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB3 . 27397 2 5 . 2 . 2 1 1 ALA C C 13 174.104 0.006 . 1 . . . . . 1 Ala C . 27397 2 6 . 2 . 2 1 1 ALA CA C 13 51.286 0.096 . 1 . . . . . 1 Ala CA . 27397 2 7 . 2 . 2 1 1 ALA CB C 13 19.075 0.000 . 1 . . . . . 1 Ala CB . 27397 2 8 . 2 . 2 2 2 ASP H H 1 9.118 0.005 . 1 . . . . . 2 Asp H . 27397 2 9 . 2 . 2 2 2 ASP HA H 1 4.734 0.001 . 1 . . . . . 2 Asp HA . 27397 2 10 . 2 . 2 2 2 ASP HB2 H 1 2.443 0.004 . 2 . . . . . 2 Asp HB2 . 27397 2 11 . 2 . 2 2 2 ASP HB3 H 1 2.647 0.003 . 2 . . . . . 2 Asp HB3 . 27397 2 12 . 2 . 2 2 2 ASP C C 13 173.777 0.000 . 1 . . . . . 2 Asp C . 27397 2 13 . 2 . 2 2 2 ASP CA C 13 52.903 0.000 . 1 . . . . . 2 Asp CA . 27397 2 14 . 2 . 2 2 2 ASP CB C 13 39.025 0.001 . 1 . . . . . 2 Asp CB . 27397 2 15 . 2 . 2 2 2 ASP N N 15 124.927 0.000 . 1 . . . . . 2 Asp N . 27397 2 16 . 2 . 2 3 3 PRO HA H 1 4.649 0.009 . 1 . . . . . 3 Pro HA . 27397 2 17 . 2 . 2 3 3 PRO HB2 H 1 1.839 0.004 . 2 . . . . . 3 Pro HB2 . 27397 2 18 . 2 . 2 3 3 PRO HB3 H 1 1.604 0.027 . 2 . . . . . 3 Pro HB3 . 27397 2 19 . 2 . 2 3 3 PRO HG2 H 1 2.002 0.005 . 2 . . . . . 3 Pro HG2 . 27397 2 20 . 2 . 2 3 3 PRO HG3 H 1 1.813 0.033 . 2 . . . . . 3 Pro HG3 . 27397 2 21 . 2 . 2 3 3 PRO HD2 H 1 3.584 0.004 . 2 . . . . . 3 Pro HD2 . 27397 2 22 . 2 . 2 3 3 PRO HD3 H 1 3.812 0.003 . 2 . . . . . 3 Pro HD3 . 27397 2 23 . 2 . 2 3 3 PRO C C 13 177.475 0.000 . 1 . . . . . 3 Pro C . 27397 2 24 . 2 . 2 3 3 PRO CA C 13 62.723 0.191 . 1 . . . . . 3 Pro CA . 27397 2 25 . 2 . 2 3 3 PRO CB C 13 31.794 0.000 . 1 . . . . . 3 Pro CB . 27397 2 26 . 2 . 2 3 3 PRO CD C 13 50.034 0.002 . 1 . . . . . 3 Pro CD . 27397 2 27 . 2 . 2 4 4 LEU H H 1 8.359 0.003 . 1 . . . . . 4 Leu H . 27397 2 28 . 2 . 2 4 4 LEU HA H 1 4.393 0.014 . 1 . . . . . 4 Leu HA . 27397 2 29 . 2 . 2 4 4 LEU HB2 H 1 1.603 0.013 . 2 . . . . . 4 Leu HB2 . 27397 2 30 . 2 . 2 4 4 LEU HB3 H 1 1.597 0.019 . 2 . . . . . 4 Leu HB3 . 27397 2 31 . 2 . 2 4 4 LEU C C 13 175.487 0.004 . 1 . . . . . 4 Leu C . 27397 2 32 . 2 . 2 4 4 LEU CA C 13 53.770 0.025 . 1 . . . . . 4 Leu CA . 27397 2 33 . 2 . 2 4 4 LEU CB C 13 42.979 0.053 . 1 . . . . . 4 Leu CB . 27397 2 34 . 2 . 2 4 4 LEU N N 15 123.144 0.000 . 1 . . . . . 4 Leu N . 27397 2 35 . 2 . 2 5 5 VAL H H 1 8.224 0.006 . 1 . . . . . 5 Val H . 27397 2 36 . 2 . 2 5 5 VAL HA H 1 4.425 0.001 . 1 . . . . . 5 Val HA . 27397 2 37 . 2 . 2 5 5 VAL HB H 1 1.812 0.009 . 1 . . . . . 5 Val HB . 27397 2 38 . 2 . 2 5 5 VAL HG11 H 1 0.782 0.012 . 2 . . . . . 5 Val HG11 . 27397 2 39 . 2 . 2 5 5 VAL HG12 H 1 0.782 0.012 . 2 . . . . . 5 Val HG12 . 27397 2 40 . 2 . 2 5 5 VAL HG13 H 1 0.782 0.012 . 2 . . . . . 5 Val HG13 . 27397 2 41 . 2 . 2 5 5 VAL HG21 H 1 0.831 0.043 . 2 . . . . . 5 Val HG21 . 27397 2 42 . 2 . 2 5 5 VAL HG22 H 1 0.831 0.043 . 2 . . . . . 5 Val HG22 . 27397 2 43 . 2 . 2 5 5 VAL HG23 H 1 0.831 0.043 . 2 . . . . . 5 Val HG23 . 27397 2 44 . 2 . 2 5 5 VAL C C 13 174.680 0.008 . 1 . . . . . 5 Val C . 27397 2 45 . 2 . 2 5 5 VAL CA C 13 61.310 0.000 . 1 . . . . . 5 Val CA . 27397 2 46 . 2 . 2 5 5 VAL CB C 13 33.793 0.000 . 1 . . . . . 5 Val CB . 27397 2 47 . 2 . 2 5 5 VAL N N 15 121.079 0.000 . 1 . . . . . 5 Val N . 27397 2 48 . 2 . 2 6 6 ILE H H 1 8.975 0.005 . 1 . . . . . 6 Ile H . 27397 2 49 . 2 . 2 6 6 ILE HA H 1 4.154 0.003 . 1 . . . . . 6 Ile HA . 27397 2 50 . 2 . 2 6 6 ILE HB H 1 1.141 0.011 . 1 . . . . . 6 Ile HB . 27397 2 51 . 2 . 2 6 6 ILE HG12 H 1 0.878 0.015 . 2 . . . . . 6 Ile HG12 . 27397 2 52 . 2 . 2 6 6 ILE HG13 H 1 0.605 0.007 . 2 . . . . . 6 Ile HG13 . 27397 2 53 . 2 . 2 6 6 ILE HG21 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG21 . 27397 2 54 . 2 . 2 6 6 ILE HG22 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG22 . 27397 2 55 . 2 . 2 6 6 ILE HG23 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG23 . 27397 2 56 . 2 . 2 6 6 ILE HD11 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD11 . 27397 2 57 . 2 . 2 6 6 ILE HD12 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD12 . 27397 2 58 . 2 . 2 6 6 ILE HD13 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD13 . 27397 2 59 . 2 . 2 6 6 ILE C C 13 175.262 0.003 . 1 . . . . . 6 Ile C . 27397 2 60 . 2 . 2 6 6 ILE CA C 13 58.467 0.000 . 1 . . . . . 6 Ile CA . 27397 2 61 . 2 . 2 6 6 ILE CB C 13 36.301 0.042 . 1 . . . . . 6 Ile CB . 27397 2 62 . 2 . 2 6 6 ILE CD1 C 13 11.575 0.000 . 1 . . . . . 6 Ile CD1 . 27397 2 63 . 2 . 2 6 6 ILE N N 15 127.845 0.000 . 1 . . . . . 6 Ile N . 27397 2 64 . 2 . 2 7 7 SER H H 1 8.799 0.005 . 1 . . . . . 7 Ser H . 27397 2 65 . 2 . 2 7 7 SER HA H 1 5.206 0.003 . 1 . . . . . 7 Ser HA . 27397 2 66 . 2 . 2 7 7 SER HB2 H 1 4.009 0.007 . 2 . . . . . 7 Ser HB2 . 27397 2 67 . 2 . 2 7 7 SER HB3 H 1 3.793 0.004 . 2 . . . . . 7 Ser HB3 . 27397 2 68 . 2 . 2 7 7 SER C C 13 173.794 0.000 . 1 . . . . . 7 Ser C . 27397 2 69 . 2 . 2 7 7 SER CA C 13 57.657 0.036 . 1 . . . . . 7 Ser CA . 27397 2 70 . 2 . 2 7 7 SER CB C 13 65.050 0.044 . 1 . . . . . 7 Ser CB . 27397 2 71 . 2 . 2 7 7 SER N N 15 120.303 0.000 . 1 . . . . . 7 Ser N . 27397 2 72 . 2 . 2 8 8 SER H H 1 8.188 0.008 . 1 . . . . . 8 Ser H . 27397 2 73 . 2 . 2 8 8 SER HA H 1 4.917 0.004 . 1 . . . . . 8 Ser HA . 27397 2 74 . 2 . 2 8 8 SER HB2 H 1 3.942 0.010 . 2 . . . . . 8 Ser HB2 . 27397 2 75 . 2 . 2 8 8 SER HB3 H 1 3.925 0.030 . 2 . . . . . 8 Ser HB3 . 27397 2 76 . 2 . 2 8 8 SER C C 13 177.880 0.000 . 1 . . . . . 8 Ser C . 27397 2 77 . 2 . 2 8 8 SER CA C 13 57.204 0.018 . 1 . . . . . 8 Ser CA . 27397 2 78 . 2 . 2 8 8 SER CB C 13 65.436 0.035 . 1 . . . . . 8 Ser CB . 27397 2 79 . 2 . 2 8 8 SER N N 15 116.973 0.000 . 1 . . . . . 8 Ser N . 27397 2 80 . 2 . 2 9 9 GLY H H 1 8.109 0.004 . 1 . . . . . 9 Gly H . 27397 2 81 . 2 . 2 9 9 GLY HA2 H 1 3.344 0.010 . 2 . . . . . 9 Gly HA2 . 27397 2 82 . 2 . 2 9 9 GLY HA3 H 1 5.459 0.005 . 2 . . . . . 9 Gly HA3 . 27397 2 83 . 2 . 2 9 9 GLY C C 13 173.746 0.000 . 1 . . . . . 9 Gly C . 27397 2 84 . 2 . 2 9 9 GLY CA C 13 43.785 0.193 . 1 . . . . . 9 Gly CA . 27397 2 85 . 2 . 2 9 9 GLY N N 15 106.507 0.000 . 1 . . . . . 9 Gly N . 27397 2 86 . 2 . 2 10 10 ASN H H 1 8.571 0.003 . 1 . . . . . 10 Asn H . 27397 2 87 . 2 . 2 10 10 ASN HA H 1 4.781 0.006 . 1 . . . . . 10 Asn HA . 27397 2 88 . 2 . 2 10 10 ASN HB2 H 1 2.705 0.008 . 2 . . . . . 10 Asn HB2 . 27397 2 89 . 2 . 2 10 10 ASN HB3 H 1 2.650 0.006 . 2 . . . . . 10 Asn HB3 . 27397 2 90 . 2 . 2 10 10 ASN HD21 H 1 6.754 0.001 . 1 . . . . . 10 Asn HD21 . 27397 2 91 . 2 . 2 10 10 ASN HD22 H 1 7.669 0.001 . 1 . . . . . 10 Asn HD22 . 27397 2 92 . 2 . 2 10 10 ASN C C 13 174.637 0.003 . 1 . . . . . 10 Asn C . 27397 2 93 . 2 . 2 10 10 ASN CA C 13 52.104 0.000 . 1 . . . . . 10 Asn CA . 27397 2 94 . 2 . 2 10 10 ASN CB C 13 38.368 0.073 . 1 . . . . . 10 Asn CB . 27397 2 95 . 2 . 2 10 10 ASN N N 15 119.143 0.000 . 1 . . . . . 10 Asn N . 27397 2 96 . 2 . 2 10 10 ASN ND2 N 15 110.507 0.001 . 1 . . . . . 10 Asn ND2 . 27397 2 97 . 2 . 2 11 11 ASP H H 1 8.668 0.003 . 1 . . . . . 11 Asp H . 27397 2 98 . 2 . 2 11 11 ASP HA H 1 4.621 0.003 . 1 . . . . . 11 Asp HA . 27397 2 99 . 2 . 2 11 11 ASP HB2 H 1 2.493 0.003 . 2 . . . . . 11 Asp HB2 . 27397 2 100 . 2 . 2 11 11 ASP HB3 H 1 2.780 0.005 . 2 . . . . . 11 Asp HB3 . 27397 2 101 . 2 . 2 11 11 ASP C C 13 176.074 0.006 . 1 . . . . . 11 Asp C . 27397 2 102 . 2 . 2 11 11 ASP CA C 13 54.518 0.063 . 1 . . . . . 11 Asp CA . 27397 2 103 . 2 . 2 11 11 ASP CB C 13 40.477 0.104 . 1 . . . . . 11 Asp CB . 27397 2 104 . 2 . 2 11 11 ASP N N 15 122.032 0.000 . 1 . . . . . 11 Asp N . 27397 2 105 . 2 . 2 12 12 ARG H H 1 7.879 0.003 . 1 . . . . . 12 Arg H . 27397 2 106 . 2 . 2 12 12 ARG HA H 1 4.301 0.002 . 1 . . . . . 12 Arg HA . 27397 2 107 . 2 . 2 12 12 ARG HB2 H 1 1.896 0.004 . 2 . . . . . 12 Arg HB2 . 27397 2 108 . 2 . 2 12 12 ARG HB3 H 1 1.756 0.005 . 2 . . . . . 12 Arg HB3 . 27397 2 109 . 2 . 2 12 12 ARG HG2 H 1 1.600 0.002 . 2 . . . . . 12 Arg HG2 . 27397 2 110 . 2 . 2 12 12 ARG HG3 H 1 1.753 0.003 . 2 . . . . . 12 Arg HG3 . 27397 2 111 . 2 . 2 12 12 ARG HD2 H 1 3.169 0.003 . 1 . . . . . 12 Arg HD2 . 27397 2 112 . 2 . 2 12 12 ARG HE H 1 7.208 0.002 . 1 . . . . . 12 Arg HE . 27397 2 113 . 2 . 2 12 12 ARG C C 13 175.160 0.001 . 1 . . . . . 12 Arg C . 27397 2 114 . 2 . 2 12 12 ARG CA C 13 55.620 0.000 . 1 . . . . . 12 Arg CA . 27397 2 115 . 2 . 2 12 12 ARG CB C 13 30.287 0.047 . 1 . . . . . 12 Arg CB . 27397 2 116 . 2 . 2 12 12 ARG N N 15 119.650 0.000 . 1 . . . . . 12 Arg N . 27397 2 117 . 2 . 2 12 12 ARG NE N 15 84.770 0.000 . 1 . . . . . 12 Arg NE . 27397 2 118 . 2 . 2 13 13 ALA H H 1 7.845 0.004 . 1 . . . . . 13 Ala H . 27397 2 119 . 2 . 2 13 13 ALA HA H 1 4.033 0.002 . 1 . . . . . 13 Ala HA . 27397 2 120 . 2 . 2 13 13 ALA HB1 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB1 . 27397 2 121 . 2 . 2 13 13 ALA HB2 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB2 . 27397 2 122 . 2 . 2 13 13 ALA HB3 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB3 . 27397 2 123 . 2 . 2 13 13 ALA C C 13 176.618 0.000 . 1 . . . . . 13 Ala C . 27397 2 124 . 2 . 2 13 13 ALA CA C 13 53.712 0.000 . 1 . . . . . 13 Ala CA . 27397 2 125 . 2 . 2 13 13 ALA CB C 13 19.610 0.000 . 1 . . . . . 13 Ala CB . 27397 2 126 . 2 . 2 13 13 ALA N N 15 130.535 0.000 . 1 . . . . . 13 Ala N . 27397 2 stop_ save_