data_27725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27725 _Entry.Title ; 1H, 13C and 15N resonance assignments of the second peptidyl-prolyl isomerase domain of chaperone SurA from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-12 _Entry.Accession_date 2018-12-12 _Entry.Last_release_date 2018-12-12 _Entry.Original_release_date 2018-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Moye Jia . . . . 27725 2 Yunfei Hu . . . . 27725 3 Changwen Jin . . . . 27725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 27725 '15N chemical shifts' 116 27725 '1H chemical shifts' 776 27725 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-17 2018-12-12 update BMRB 'update entry citation' 27725 1 . . 2019-02-07 2018-12-12 original author 'original release' 27725 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30684235 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of the second peptidyl-prolyl isomerase domain of chaperone SurA from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 183 _Citation.Page_last 186 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Moye Jia . . . . 27725 1 2 Yunfei Hu . . . . 27725 1 3 Changwen Jin . . . . 27725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27725 _Assembly.ID 1 _Assembly.Name SurA_P2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SurA_P2 1 $SurA_P2 A . yes native no no . . . 27725 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1M5Y . . . . . . 27725 1 yes UNP P0ABZ6 . . . . . . 27725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SurA_P2 _Entity.Sf_category entity _Entity.Sf_framecode SurA_P2 _Entity.Entry_ID 27725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SurA_P2 _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 ; MKNISVTEVHARHILLKPSP IMTDEQARVKLEQIAADIKS GKTTFAAAAKEFSQDPGSAN QGGDLGWATPDIFDPAFRDA LTRLNKGQMSAPVHSSFGWH LIELLDTRNVDKTDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 277,M 278,K 279,N ...... 389,T 390,D 391,A ; _Entity.Polymer_author_seq_details ; The first Met residue is artificially added at the N-terminus of the recombinant protein. K278-A391 is the remainder based on Uniprot P0ABZ6. ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0ABZ6 . . . . . . . . . . . . . . . . 27725 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 277 MET . 27725 1 2 278 LYS . 27725 1 3 279 ASN . 27725 1 4 280 ILE . 27725 1 5 281 SER . 27725 1 6 282 VAL . 27725 1 7 283 THR . 27725 1 8 284 GLU . 27725 1 9 285 VAL . 27725 1 10 286 HIS . 27725 1 11 287 ALA . 27725 1 12 288 ARG . 27725 1 13 289 HIS . 27725 1 14 290 ILE . 27725 1 15 291 LEU . 27725 1 16 292 LEU . 27725 1 17 293 LYS . 27725 1 18 294 PRO . 27725 1 19 295 SER . 27725 1 20 296 PRO . 27725 1 21 297 ILE . 27725 1 22 298 MET . 27725 1 23 299 THR . 27725 1 24 300 ASP . 27725 1 25 301 GLU . 27725 1 26 302 GLN . 27725 1 27 303 ALA . 27725 1 28 304 ARG . 27725 1 29 305 VAL . 27725 1 30 306 LYS . 27725 1 31 307 LEU . 27725 1 32 308 GLU . 27725 1 33 309 GLN . 27725 1 34 310 ILE . 27725 1 35 311 ALA . 27725 1 36 312 ALA . 27725 1 37 313 ASP . 27725 1 38 314 ILE . 27725 1 39 315 LYS . 27725 1 40 316 SER . 27725 1 41 317 GLY . 27725 1 42 318 LYS . 27725 1 43 319 THR . 27725 1 44 320 THR . 27725 1 45 321 PHE . 27725 1 46 322 ALA . 27725 1 47 323 ALA . 27725 1 48 324 ALA . 27725 1 49 325 ALA . 27725 1 50 326 LYS . 27725 1 51 327 GLU . 27725 1 52 328 PHE . 27725 1 53 329 SER . 27725 1 54 330 GLN . 27725 1 55 331 ASP . 27725 1 56 332 PRO . 27725 1 57 333 GLY . 27725 1 58 334 SER . 27725 1 59 335 ALA . 27725 1 60 336 ASN . 27725 1 61 337 GLN . 27725 1 62 338 GLY . 27725 1 63 339 GLY . 27725 1 64 340 ASP . 27725 1 65 341 LEU . 27725 1 66 342 GLY . 27725 1 67 343 TRP . 27725 1 68 344 ALA . 27725 1 69 345 THR . 27725 1 70 346 PRO . 27725 1 71 347 ASP . 27725 1 72 348 ILE . 27725 1 73 349 PHE . 27725 1 74 350 ASP . 27725 1 75 351 PRO . 27725 1 76 352 ALA . 27725 1 77 353 PHE . 27725 1 78 354 ARG . 27725 1 79 355 ASP . 27725 1 80 356 ALA . 27725 1 81 357 LEU . 27725 1 82 358 THR . 27725 1 83 359 ARG . 27725 1 84 360 LEU . 27725 1 85 361 ASN . 27725 1 86 362 LYS . 27725 1 87 363 GLY . 27725 1 88 364 GLN . 27725 1 89 365 MET . 27725 1 90 366 SER . 27725 1 91 367 ALA . 27725 1 92 368 PRO . 27725 1 93 369 VAL . 27725 1 94 370 HIS . 27725 1 95 371 SER . 27725 1 96 372 SER . 27725 1 97 373 PHE . 27725 1 98 374 GLY . 27725 1 99 375 TRP . 27725 1 100 376 HIS . 27725 1 101 377 LEU . 27725 1 102 378 ILE . 27725 1 103 379 GLU . 27725 1 104 380 LEU . 27725 1 105 381 LEU . 27725 1 106 382 ASP . 27725 1 107 383 THR . 27725 1 108 384 ARG . 27725 1 109 385 ASN . 27725 1 110 386 VAL . 27725 1 111 387 ASP . 27725 1 112 388 LYS . 27725 1 113 389 THR . 27725 1 114 390 ASP . 27725 1 115 391 ALA . 27725 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27725 1 . LYS 2 2 27725 1 . ASN 3 3 27725 1 . ILE 4 4 27725 1 . SER 5 5 27725 1 . VAL 6 6 27725 1 . THR 7 7 27725 1 . GLU 8 8 27725 1 . VAL 9 9 27725 1 . HIS 10 10 27725 1 . ALA 11 11 27725 1 . ARG 12 12 27725 1 . HIS 13 13 27725 1 . ILE 14 14 27725 1 . LEU 15 15 27725 1 . LEU 16 16 27725 1 . LYS 17 17 27725 1 . PRO 18 18 27725 1 . SER 19 19 27725 1 . PRO 20 20 27725 1 . ILE 21 21 27725 1 . MET 22 22 27725 1 . THR 23 23 27725 1 . ASP 24 24 27725 1 . GLU 25 25 27725 1 . GLN 26 26 27725 1 . ALA 27 27 27725 1 . ARG 28 28 27725 1 . VAL 29 29 27725 1 . LYS 30 30 27725 1 . LEU 31 31 27725 1 . GLU 32 32 27725 1 . GLN 33 33 27725 1 . ILE 34 34 27725 1 . ALA 35 35 27725 1 . ALA 36 36 27725 1 . ASP 37 37 27725 1 . ILE 38 38 27725 1 . LYS 39 39 27725 1 . SER 40 40 27725 1 . GLY 41 41 27725 1 . LYS 42 42 27725 1 . THR 43 43 27725 1 . THR 44 44 27725 1 . PHE 45 45 27725 1 . ALA 46 46 27725 1 . ALA 47 47 27725 1 . ALA 48 48 27725 1 . ALA 49 49 27725 1 . LYS 50 50 27725 1 . GLU 51 51 27725 1 . PHE 52 52 27725 1 . SER 53 53 27725 1 . GLN 54 54 27725 1 . ASP 55 55 27725 1 . PRO 56 56 27725 1 . GLY 57 57 27725 1 . SER 58 58 27725 1 . ALA 59 59 27725 1 . ASN 60 60 27725 1 . GLN 61 61 27725 1 . GLY 62 62 27725 1 . GLY 63 63 27725 1 . ASP 64 64 27725 1 . LEU 65 65 27725 1 . GLY 66 66 27725 1 . TRP 67 67 27725 1 . ALA 68 68 27725 1 . THR 69 69 27725 1 . PRO 70 70 27725 1 . ASP 71 71 27725 1 . ILE 72 72 27725 1 . PHE 73 73 27725 1 . ASP 74 74 27725 1 . PRO 75 75 27725 1 . ALA 76 76 27725 1 . PHE 77 77 27725 1 . ARG 78 78 27725 1 . ASP 79 79 27725 1 . ALA 80 80 27725 1 . LEU 81 81 27725 1 . THR 82 82 27725 1 . ARG 83 83 27725 1 . LEU 84 84 27725 1 . ASN 85 85 27725 1 . LYS 86 86 27725 1 . GLY 87 87 27725 1 . GLN 88 88 27725 1 . MET 89 89 27725 1 . SER 90 90 27725 1 . ALA 91 91 27725 1 . PRO 92 92 27725 1 . VAL 93 93 27725 1 . HIS 94 94 27725 1 . SER 95 95 27725 1 . SER 96 96 27725 1 . PHE 97 97 27725 1 . GLY 98 98 27725 1 . TRP 99 99 27725 1 . HIS 100 100 27725 1 . LEU 101 101 27725 1 . ILE 102 102 27725 1 . GLU 103 103 27725 1 . LEU 104 104 27725 1 . LEU 105 105 27725 1 . ASP 106 106 27725 1 . THR 107 107 27725 1 . ARG 108 108 27725 1 . ASN 109 109 27725 1 . VAL 110 110 27725 1 . ASP 111 111 27725 1 . LYS 112 112 27725 1 . THR 113 113 27725 1 . ASP 114 114 27725 1 . ALA 115 115 27725 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27725 _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 $SurA_P2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27725 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 27725 _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 $SurA_P2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a(+) . . . 27725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SurA_P2 '[U-95% 13C; U-95% 15N]' . . 1 $SurA_P2 . . 0.6 . . mM . . . . 27725 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 27725 1 3 TRIS 'natural abundance' . . . . . . 30 . . mM . . . . 27725 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27725 1 5 DSS 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27725 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27725 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27725 1 pH 7.5 . pH 27725 1 pressure 1 . atm 27725 1 temperature 298 . K 27725 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27725 _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' . . 27725 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27725 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27725 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27725 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27725 2 'data analysis' 27725 2 'peak picking' 27725 2 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 27725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27725 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27725 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27725 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27725 1 2 spectrometer_2 Bruker Avance . 600 . . . 27725 1 3 spectrometer_3 Bruker Avance . 950 . . . 27725 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 27725 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 15 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 16 '3D (H)CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 1 17 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27725 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 27725 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27725 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27725 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27725 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 27725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27725 1 2 '2D 1H-13C HSQC' . . . 27725 1 3 '2D 1H-13C HSQC aliphatic' . . . 27725 1 5 '3D CBCA(CO)NH' . . . 27725 1 6 '3D HNCO' . . . 27725 1 7 '3D HNCA' . . . 27725 1 8 '3D HBHA(CO)NH' . . . 27725 1 9 '3D HN(CO)CA' . . . 27725 1 10 '3D HCCH-TOCSY' . . . 27725 1 11 '3D HCCH-COSY' . . . 27725 1 12 '3D 1H-15N NOESY' . . . 27725 1 13 '3D 1H-13C NOESY aliphatic' . . . 27725 1 14 '3D 1H-13C NOESY aromatic' . . . 27725 1 15 '3D (H)CCH-TOCSY' . . . 27725 1 16 '3D (H)CCH-COSY' . . . 27725 1 17 '3D HN(CA)CO' . . . 27725 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN H H 1 8.525 0.02 . 1 . . . . . 279 ASN HN . 27725 1 2 . 1 1 3 3 ASN HA H 1 4.699 0.02 . 9 . . . . . 279 ASN HA . 27725 1 3 . 1 1 3 3 ASN HB2 H 1 2.687 0.02 . 9 . . . . . 279 ASN HB1 . 27725 1 4 . 1 1 3 3 ASN HB3 H 1 2.777 0.02 . 9 . . . . . 279 ASN HB2 . 27725 1 5 . 1 1 3 3 ASN HD21 H 1 6.936 0.02 . 9 . . . . . 279 ASN HD21 . 27725 1 6 . 1 1 3 3 ASN HD22 H 1 7.627 0.02 . 9 . . . . . 279 ASN HD22 . 27725 1 7 . 1 1 3 3 ASN C C 13 175.103 0.30 . 9 . . . . . 279 ASN C . 27725 1 8 . 1 1 3 3 ASN CA C 13 53.263 0.30 . 9 . . . . . 279 ASN CA . 27725 1 9 . 1 1 3 3 ASN CB C 13 38.926 0.30 . 9 . . . . . 279 ASN CB . 27725 1 10 . 1 1 3 3 ASN N N 15 120.005 0.30 . 1 . . . . . 279 ASN N . 27725 1 11 . 1 1 3 3 ASN ND2 N 15 112.043 0.30 . 9 . . . . . 279 ASN ND2 . 27725 1 12 . 1 1 4 4 ILE H H 1 8.323 0.02 . 1 . . . . . 280 ILE HN . 27725 1 13 . 1 1 4 4 ILE HA H 1 4.249 0.02 . 9 . . . . . 280 ILE HA . 27725 1 14 . 1 1 4 4 ILE HB H 1 1.895 0.02 . 9 . . . . . 280 ILE HB . 27725 1 15 . 1 1 4 4 ILE HG12 H 1 1.136 0.02 . 9 . . . . . 280 ILE HG11 . 27725 1 16 . 1 1 4 4 ILE HG13 H 1 1.439 0.02 . 9 . . . . . 280 ILE HG12 . 27725 1 17 . 1 1 4 4 ILE HG21 H 1 0.86 0.02 . 9 . . . . . 280 ILE HG21 . 27725 1 18 . 1 1 4 4 ILE HG22 H 1 0.86 0.02 . 9 . . . . . 280 ILE HG21 . 27725 1 19 . 1 1 4 4 ILE HG23 H 1 0.86 0.02 . 9 . . . . . 280 ILE HG21 . 27725 1 20 . 1 1 4 4 ILE HD11 H 1 0.822 0.02 . 9 . . . . . 280 ILE HD11 . 27725 1 21 . 1 1 4 4 ILE HD12 H 1 0.822 0.02 . 9 . . . . . 280 ILE HD11 . 27725 1 22 . 1 1 4 4 ILE HD13 H 1 0.822 0.02 . 9 . . . . . 280 ILE HD11 . 27725 1 23 . 1 1 4 4 ILE C C 13 175.713 0.30 . 9 . . . . . 280 ILE C . 27725 1 24 . 1 1 4 4 ILE CA C 13 61.027 0.30 . 9 . . . . . 280 ILE CA . 27725 1 25 . 1 1 4 4 ILE CB C 13 39.004 0.30 . 9 . . . . . 280 ILE CB . 27725 1 26 . 1 1 4 4 ILE CG1 C 13 26.865 0.30 . 9 . . . . . 280 ILE CG1 . 27725 1 27 . 1 1 4 4 ILE CG2 C 13 17.496 0.30 . 9 . . . . . 280 ILE CG2 . 27725 1 28 . 1 1 4 4 ILE CD1 C 13 13.178 0.30 . 9 . . . . . 280 ILE CD1 . 27725 1 29 . 1 1 4 4 ILE N N 15 121.13 0.30 . 1 . . . . . 280 ILE N . 27725 1 30 . 1 1 5 5 SER H H 1 8.311 0.02 . 1 . . . . . 281 SER HN . 27725 1 31 . 1 1 5 5 SER HA H 1 4.428 0.02 . 1 . . . . . 281 SER HA . 27725 1 32 . 1 1 5 5 SER HB2 H 1 3.748 0.02 . 2 . . . . . 281 SER HB1 . 27725 1 33 . 1 1 5 5 SER HB3 H 1 3.839 0.02 . 2 . . . . . 281 SER HB2 . 27725 1 34 . 1 1 5 5 SER C C 13 174.2 0.30 . 1 . . . . . 281 SER C . 27725 1 35 . 1 1 5 5 SER CA C 13 57.947 0.30 . 1 . . . . . 281 SER CA . 27725 1 36 . 1 1 5 5 SER CB C 13 64.332 0.30 . 1 . . . . . 281 SER CB . 27725 1 37 . 1 1 5 5 SER N N 15 119.775 0.30 . 1 . . . . . 281 SER N . 27725 1 38 . 1 1 6 6 VAL H H 1 8.724 0.02 . 1 . . . . . 282 VAL HN . 27725 1 39 . 1 1 6 6 VAL HA H 1 4.38 0.02 . 1 . . . . . 282 VAL HA . 27725 1 40 . 1 1 6 6 VAL HB H 1 2.095 0.02 . 1 . . . . . 282 VAL HB . 27725 1 41 . 1 1 6 6 VAL HG11 H 1 0.697 0.02 . 2 . . . . . 282 VAL HG11 . 27725 1 42 . 1 1 6 6 VAL HG12 H 1 0.697 0.02 . 2 . . . . . 282 VAL HG11 . 27725 1 43 . 1 1 6 6 VAL HG13 H 1 0.697 0.02 . 2 . . . . . 282 VAL HG11 . 27725 1 44 . 1 1 6 6 VAL HG21 H 1 0.728 0.02 . 2 . . . . . 282 VAL HG21 . 27725 1 45 . 1 1 6 6 VAL HG22 H 1 0.728 0.02 . 2 . . . . . 282 VAL HG21 . 27725 1 46 . 1 1 6 6 VAL HG23 H 1 0.728 0.02 . 2 . . . . . 282 VAL HG21 . 27725 1 47 . 1 1 6 6 VAL C C 13 175.306 0.30 . 1 . . . . . 282 VAL C . 27725 1 48 . 1 1 6 6 VAL CA C 13 61.419 0.30 . 1 . . . . . 282 VAL CA . 27725 1 49 . 1 1 6 6 VAL CB C 13 34.128 0.30 . 1 . . . . . 282 VAL CB . 27725 1 50 . 1 1 6 6 VAL CG1 C 13 20.476 0.30 . 1 . . . . . 282 VAL CG1 . 27725 1 51 . 1 1 6 6 VAL CG2 C 13 21.337 0.30 . 1 . . . . . 282 VAL CG2 . 27725 1 52 . 1 1 6 6 VAL N N 15 122.478 0.30 . 1 . . . . . 282 VAL N . 27725 1 53 . 1 1 7 7 THR H H 1 8.299 0.02 . 1 . . . . . 283 THR HN . 27725 1 54 . 1 1 7 7 THR HA H 1 4.262 0.02 . 1 . . . . . 283 THR HA . 27725 1 55 . 1 1 7 7 THR HB H 1 4.041 0.02 . 1 . . . . . 283 THR HB . 27725 1 56 . 1 1 7 7 THR HG21 H 1 1.219 0.02 . 1 . . . . . 283 THR HG21 . 27725 1 57 . 1 1 7 7 THR HG22 H 1 1.219 0.02 . 1 . . . . . 283 THR HG21 . 27725 1 58 . 1 1 7 7 THR HG23 H 1 1.219 0.02 . 1 . . . . . 283 THR HG21 . 27725 1 59 . 1 1 7 7 THR C C 13 174.809 0.30 . 1 . . . . . 283 THR C . 27725 1 60 . 1 1 7 7 THR CA C 13 62.395 0.30 . 1 . . . . . 283 THR CA . 27725 1 61 . 1 1 7 7 THR CB C 13 70.31 0.30 . 1 . . . . . 283 THR CB . 27725 1 62 . 1 1 7 7 THR CG2 C 13 21.861 0.30 . 1 . . . . . 283 THR CG2 . 27725 1 63 . 1 1 7 7 THR N N 15 120.649 0.30 . 1 . . . . . 283 THR N . 27725 1 64 . 1 1 8 8 GLU H H 1 9.08 0.02 . 1 . . . . . 284 GLU HN . 27725 1 65 . 1 1 8 8 GLU HA H 1 4.87 0.02 . 1 . . . . . 284 GLU HA . 27725 1 66 . 1 1 8 8 GLU HB2 H 1 1.925 0.02 . 2 . . . . . 284 GLU HB1 . 27725 1 67 . 1 1 8 8 GLU HB3 H 1 2.075 0.02 . 2 . . . . . 284 GLU HB2 . 27725 1 68 . 1 1 8 8 GLU HG2 H 1 2.048 0.02 . 2 . . . . . 284 GLU HG1 . 27725 1 69 . 1 1 8 8 GLU HG3 H 1 2.157 0.02 . 2 . . . . . 284 GLU HG2 . 27725 1 70 . 1 1 8 8 GLU C C 13 175.815 0.30 . 1 . . . . . 284 GLU C . 27725 1 71 . 1 1 8 8 GLU CA C 13 54.979 0.30 . 1 . . . . . 284 GLU CA . 27725 1 72 . 1 1 8 8 GLU CB C 13 34.757 0.30 . 1 . . . . . 284 GLU CB . 27725 1 73 . 1 1 8 8 GLU CG C 13 37.368 0.30 . 1 . . . . . 284 GLU CG . 27725 1 74 . 1 1 8 8 GLU N N 15 123.541 0.30 . 1 . . . . . 284 GLU N . 27725 1 75 . 1 1 9 9 VAL H H 1 9.491 0.02 . 1 . . . . . 285 VAL HN . 27725 1 76 . 1 1 9 9 VAL HA H 1 5.136 0.02 . 1 . . . . . 285 VAL HA . 27725 1 77 . 1 1 9 9 VAL HB H 1 2.107 0.02 . 1 . . . . . 285 VAL HB . 27725 1 78 . 1 1 9 9 VAL HG11 H 1 1.037 0.02 . 2 . . . . . 285 VAL HG11 . 27725 1 79 . 1 1 9 9 VAL HG12 H 1 1.037 0.02 . 2 . . . . . 285 VAL HG11 . 27725 1 80 . 1 1 9 9 VAL HG13 H 1 1.037 0.02 . 2 . . . . . 285 VAL HG11 . 27725 1 81 . 1 1 9 9 VAL HG21 H 1 1.021 0.02 . 2 . . . . . 285 VAL HG21 . 27725 1 82 . 1 1 9 9 VAL HG22 H 1 1.021 0.02 . 2 . . . . . 285 VAL HG21 . 27725 1 83 . 1 1 9 9 VAL HG23 H 1 1.021 0.02 . 2 . . . . . 285 VAL HG21 . 27725 1 84 . 1 1 9 9 VAL C C 13 174.257 0.30 . 1 . . . . . 285 VAL C . 27725 1 85 . 1 1 9 9 VAL CA C 13 59.318 0.30 . 1 . . . . . 285 VAL CA . 27725 1 86 . 1 1 9 9 VAL CB C 13 34.914 0.30 . 1 . . . . . 285 VAL CB . 27725 1 87 . 1 1 9 9 VAL CG1 C 13 19.395 0.30 . 1 . . . . . 285 VAL CG1 . 27725 1 88 . 1 1 9 9 VAL CG2 C 13 21.632 0.30 . 1 . . . . . 285 VAL CG2 . 27725 1 89 . 1 1 9 9 VAL N N 15 113.087 0.30 . 1 . . . . . 285 VAL N . 27725 1 90 . 1 1 10 10 HIS H H 1 8.5 0.02 . 1 . . . . . 286 HIS HN . 27725 1 91 . 1 1 10 10 HIS HA H 1 5.032 0.02 . 1 . . . . . 286 HIS HA . 27725 1 92 . 1 1 10 10 HIS HB2 H 1 1.965 0.02 . 2 . . . . . 286 HIS HB1 . 27725 1 93 . 1 1 10 10 HIS HB3 H 1 2.035 0.02 . 2 . . . . . 286 HIS HB2 . 27725 1 94 . 1 1 10 10 HIS HD2 H 1 7.113 0.02 . 1 . . . . . 286 HIS HD2 . 27725 1 95 . 1 1 10 10 HIS HE1 H 1 8.296 0.02 . 1 . . . . . 286 HIS HE1 . 27725 1 96 . 1 1 10 10 HIS C C 13 174.25 0.30 . 1 . . . . . 286 HIS C . 27725 1 97 . 1 1 10 10 HIS CA C 13 51.656 0.30 . 1 . . . . . 286 HIS CA . 27725 1 98 . 1 1 10 10 HIS CB C 13 28.228 0.30 . 1 . . . . . 286 HIS CB . 27725 1 99 . 1 1 10 10 HIS CD2 C 13 120.336 0.30 . 1 . . . . . 286 HIS CD2 . 27725 1 100 . 1 1 10 10 HIS CE1 C 13 136.031 0.30 . 1 . . . . . 286 HIS CE1 . 27725 1 101 . 1 1 10 10 HIS N N 15 125.064 0.30 . 1 . . . . . 286 HIS N . 27725 1 102 . 1 1 11 11 ALA H H 1 8.94 0.02 . 1 . . . . . 287 ALA HN . 27725 1 103 . 1 1 11 11 ALA HA H 1 5.101 0.02 . 1 . . . . . 287 ALA HA . 27725 1 104 . 1 1 11 11 ALA HB1 H 1 1.224 0.02 . 1 . . . . . 287 ALA HB1 . 27725 1 105 . 1 1 11 11 ALA HB2 H 1 1.224 0.02 . 1 . . . . . 287 ALA HB1 . 27725 1 106 . 1 1 11 11 ALA HB3 H 1 1.224 0.02 . 1 . . . . . 287 ALA HB1 . 27725 1 107 . 1 1 11 11 ALA C C 13 173.928 0.30 . 1 . . . . . 287 ALA C . 27725 1 108 . 1 1 11 11 ALA CA C 13 49.656 0.30 . 1 . . . . . 287 ALA CA . 27725 1 109 . 1 1 11 11 ALA CB C 13 22.25 0.30 . 1 . . . . . 287 ALA CB . 27725 1 110 . 1 1 11 11 ALA N N 15 130.747 0.30 . 1 . . . . . 287 ALA N . 27725 1 111 . 1 1 12 12 ARG H H 1 8.45 0.02 . 1 . . . . . 288 ARG HN . 27725 1 112 . 1 1 12 12 ARG HA H 1 5.391 0.02 . 1 . . . . . 288 ARG HA . 27725 1 113 . 1 1 12 12 ARG HB2 H 1 1.985 0.02 . 2 . . . . . 288 ARG HB1 . 27725 1 114 . 1 1 12 12 ARG HB3 H 1 2.097 0.02 . 2 . . . . . 288 ARG HB2 . 27725 1 115 . 1 1 12 12 ARG HG2 H 1 1.495 0.02 . 2 . . . . . 288 ARG HG1 . 27725 1 116 . 1 1 12 12 ARG HG3 H 1 1.495 0.02 . 2 . . . . . 288 ARG HG2 . 27725 1 117 . 1 1 12 12 ARG HD2 H 1 2.542 0.02 . 2 . . . . . 288 ARG HD1 . 27725 1 118 . 1 1 12 12 ARG HD3 H 1 2.859 0.02 . 2 . . . . . 288 ARG HD2 . 27725 1 119 . 1 1 12 12 ARG C C 13 174.363 0.30 . 1 . . . . . 288 ARG C . 27725 1 120 . 1 1 12 12 ARG CA C 13 53.392 0.30 . 1 . . . . . 288 ARG CA . 27725 1 121 . 1 1 12 12 ARG CB C 13 34.6 0.30 . 1 . . . . . 288 ARG CB . 27725 1 122 . 1 1 12 12 ARG CG C 13 28.946 0.30 . 1 . . . . . 288 ARG CG . 27725 1 123 . 1 1 12 12 ARG CD C 13 42.153 0.30 . 1 . . . . . 288 ARG CD . 27725 1 124 . 1 1 12 12 ARG N N 15 112.333 0.30 . 1 . . . . . 288 ARG N . 27725 1 125 . 1 1 13 13 HIS H H 1 9.54 0.02 . 1 . . . . . 289 HIS HN . 27725 1 126 . 1 1 13 13 HIS HA H 1 4.633 0.02 . 1 . . . . . 289 HIS HA . 27725 1 127 . 1 1 13 13 HIS HB2 H 1 2.862 0.02 . 2 . . . . . 289 HIS HB1 . 27725 1 128 . 1 1 13 13 HIS HB3 H 1 2.904 0.02 . 2 . . . . . 289 HIS HB2 . 27725 1 129 . 1 1 13 13 HIS HD2 H 1 7.083 0.02 . 1 . . . . . 289 HIS HD2 . 27725 1 130 . 1 1 13 13 HIS HE1 H 1 7.86 0.02 . 1 . . . . . 289 HIS HE1 . 27725 1 131 . 1 1 13 13 HIS C C 13 173.66 0.30 . 1 . . . . . 289 HIS C . 27725 1 132 . 1 1 13 13 HIS CA C 13 54.469 0.30 . 1 . . . . . 289 HIS CA . 27725 1 133 . 1 1 13 13 HIS CB C 13 37.903 0.30 . 1 . . . . . 289 HIS CB . 27725 1 134 . 1 1 13 13 HIS CD2 C 13 116.757 0.30 . 1 . . . . . 289 HIS CD2 . 27725 1 135 . 1 1 13 13 HIS CE1 C 13 137.683 0.30 . 1 . . . . . 289 HIS CE1 . 27725 1 136 . 1 1 13 13 HIS N N 15 117.682 0.30 . 1 . . . . . 289 HIS N . 27725 1 137 . 1 1 14 14 ILE H H 1 8.74 0.02 . 1 . . . . . 290 ILE HN . 27725 1 138 . 1 1 14 14 ILE HA H 1 3.538 0.02 . 1 . . . . . 290 ILE HA . 27725 1 139 . 1 1 14 14 ILE HB H 1 1.304 0.02 . 1 . . . . . 290 ILE HB . 27725 1 140 . 1 1 14 14 ILE HG12 H 1 1.416 0.02 . 1 . . . . . 290 ILE HG11 . 27725 1 141 . 1 1 14 14 ILE HG13 H 1 1.656 0.02 . 1 . . . . . 290 ILE HG12 . 27725 1 142 . 1 1 14 14 ILE HG21 H 1 0.515 0.02 . 1 . . . . . 290 ILE HG21 . 27725 1 143 . 1 1 14 14 ILE HG22 H 1 0.515 0.02 . 1 . . . . . 290 ILE HG21 . 27725 1 144 . 1 1 14 14 ILE HG23 H 1 0.515 0.02 . 1 . . . . . 290 ILE HG21 . 27725 1 145 . 1 1 14 14 ILE HD11 H 1 0.063 0.02 . 1 . . . . . 290 ILE HD11 . 27725 1 146 . 1 1 14 14 ILE HD12 H 1 0.063 0.02 . 1 . . . . . 290 ILE HD11 . 27725 1 147 . 1 1 14 14 ILE HD13 H 1 0.063 0.02 . 1 . . . . . 290 ILE HD11 . 27725 1 148 . 1 1 14 14 ILE C C 13 173.002 0.30 . 1 . . . . . 290 ILE C . 27725 1 149 . 1 1 14 14 ILE CA C 13 61.721 0.30 . 1 . . . . . 290 ILE CA . 27725 1 150 . 1 1 14 14 ILE CB C 13 42.363 0.30 . 1 . . . . . 290 ILE CB . 27725 1 151 . 1 1 14 14 ILE CG1 C 13 28.957 0.30 . 1 . . . . . 290 ILE CG1 . 27725 1 152 . 1 1 14 14 ILE CG2 C 13 16.113 0.30 . 1 . . . . . 290 ILE CG2 . 27725 1 153 . 1 1 14 14 ILE CD1 C 13 13.176 0.30 . 1 . . . . . 290 ILE CD1 . 27725 1 154 . 1 1 14 14 ILE N N 15 121.457 0.30 . 1 . . . . . 290 ILE N . 27725 1 155 . 1 1 15 15 LEU H H 1 7.599 0.02 . 1 . . . . . 291 LEU HN . 27725 1 156 . 1 1 15 15 LEU HA H 1 4.606 0.02 . 1 . . . . . 291 LEU HA . 27725 1 157 . 1 1 15 15 LEU HB2 H 1 1.475 0.02 . 2 . . . . . 291 LEU HB1 . 27725 1 158 . 1 1 15 15 LEU HB3 H 1 1.598 0.02 . 2 . . . . . 291 LEU HB2 . 27725 1 159 . 1 1 15 15 LEU HG H 1 1.615 0.02 . 1 . . . . . 291 LEU HG . 27725 1 160 . 1 1 15 15 LEU HD11 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD11 . 27725 1 161 . 1 1 15 15 LEU HD12 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD11 . 27725 1 162 . 1 1 15 15 LEU HD13 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD11 . 27725 1 163 . 1 1 15 15 LEU HD21 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD21 . 27725 1 164 . 1 1 15 15 LEU HD22 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD21 . 27725 1 165 . 1 1 15 15 LEU HD23 H 1 0.909 0.02 . 2 . . . . . 291 LEU HD21 . 27725 1 166 . 1 1 15 15 LEU C C 13 175.161 0.30 . 1 . . . . . 291 LEU C . 27725 1 167 . 1 1 15 15 LEU CA C 13 52.693 0.30 . 1 . . . . . 291 LEU CA . 27725 1 168 . 1 1 15 15 LEU CB C 13 46.136 0.30 . 1 . . . . . 291 LEU CB . 27725 1 169 . 1 1 15 15 LEU CG C 13 27.225 0.30 . 1 . . . . . 291 LEU CG . 27725 1 170 . 1 1 15 15 LEU CD1 C 13 24.668 0.30 . 1 . . . . . 291 LEU CD1 . 27725 1 171 . 1 1 15 15 LEU CD2 C 13 24.147 0.30 . 1 . . . . . 291 LEU CD2 . 27725 1 172 . 1 1 15 15 LEU N N 15 127.235 0.30 . 1 . . . . . 291 LEU N . 27725 1 173 . 1 1 16 16 LEU H H 1 9.567 0.02 . 1 . . . . . 292 LEU HN . 27725 1 174 . 1 1 16 16 LEU HA H 1 5.171 0.02 . 1 . . . . . 292 LEU HA . 27725 1 175 . 1 1 16 16 LEU HB2 H 1 1.314 0.02 . 2 . . . . . 292 LEU HB1 . 27725 1 176 . 1 1 16 16 LEU HB3 H 1 1.595 0.02 . 2 . . . . . 292 LEU HB2 . 27725 1 177 . 1 1 16 16 LEU HG H 1 0.761 0.02 . 1 . . . . . 292 LEU HG . 27725 1 178 . 1 1 16 16 LEU HD11 H 1 0.93 0.02 . 2 . . . . . 292 LEU HD11 . 27725 1 179 . 1 1 16 16 LEU HD12 H 1 0.93 0.02 . 2 . . . . . 292 LEU HD11 . 27725 1 180 . 1 1 16 16 LEU HD13 H 1 0.93 0.02 . 2 . . . . . 292 LEU HD11 . 27725 1 181 . 1 1 16 16 LEU HD21 H 1 0.918 0.02 . 2 . . . . . 292 LEU HD21 . 27725 1 182 . 1 1 16 16 LEU HD22 H 1 0.918 0.02 . 2 . . . . . 292 LEU HD21 . 27725 1 183 . 1 1 16 16 LEU HD23 H 1 0.918 0.02 . 2 . . . . . 292 LEU HD21 . 27725 1 184 . 1 1 16 16 LEU C C 13 175.442 0.30 . 1 . . . . . 292 LEU C . 27725 1 185 . 1 1 16 16 LEU CA C 13 53.958 0.30 . 1 . . . . . 292 LEU CA . 27725 1 186 . 1 1 16 16 LEU CB C 13 45.399 0.30 . 1 . . . . . 292 LEU CB . 27725 1 187 . 1 1 16 16 LEU CG C 13 27.133 0.30 . 1 . . . . . 292 LEU CG . 27725 1 188 . 1 1 16 16 LEU CD1 C 13 25.445 0.30 . 1 . . . . . 292 LEU CD1 . 27725 1 189 . 1 1 16 16 LEU CD2 C 13 23.932 0.30 . 1 . . . . . 292 LEU CD2 . 27725 1 190 . 1 1 16 16 LEU N N 15 125.544 0.30 . 1 . . . . . 292 LEU N . 27725 1 191 . 1 1 17 17 LYS H H 1 8.526 0.02 . 1 . . . . . 293 LYS HN . 27725 1 192 . 1 1 17 17 LYS HA H 1 4.522 0.02 . 1 . . . . . 293 LYS HA . 27725 1 193 . 1 1 17 17 LYS HB2 H 1 1.75 0.02 . 2 . . . . . 293 LYS HB1 . 27725 1 194 . 1 1 17 17 LYS HB3 H 1 1.798 0.02 . 2 . . . . . 293 LYS HB2 . 27725 1 195 . 1 1 17 17 LYS HG2 H 1 1.379 0.02 . 2 . . . . . 293 LYS HG1 . 27725 1 196 . 1 1 17 17 LYS HG3 H 1 1.477 0.02 . 2 . . . . . 293 LYS HG2 . 27725 1 197 . 1 1 17 17 LYS HD2 H 1 1.706 0.02 . 2 . . . . . 293 LYS HD1 . 27725 1 198 . 1 1 17 17 LYS HD3 H 1 1.731 0.02 . 2 . . . . . 293 LYS HD2 . 27725 1 199 . 1 1 17 17 LYS HE2 H 1 3.058 0.02 . 2 . . . . . 293 LYS HE1 . 27725 1 200 . 1 1 17 17 LYS HE3 H 1 3.058 0.02 . 2 . . . . . 293 LYS HE2 . 27725 1 201 . 1 1 17 17 LYS C C 13 173.733 0.30 . 1 . . . . . 293 LYS C . 27725 1 202 . 1 1 17 17 LYS CA C 13 53.665 0.30 . 1 . . . . . 293 LYS CA . 27725 1 203 . 1 1 17 17 LYS CB C 13 35.201 0.30 . 1 . . . . . 293 LYS CB . 27725 1 204 . 1 1 17 17 LYS CG C 13 23.897 0.30 . 1 . . . . . 293 LYS CG . 27725 1 205 . 1 1 17 17 LYS CD C 13 28.641 0.30 . 1 . . . . . 293 LYS CD . 27725 1 206 . 1 1 17 17 LYS CE C 13 42.275 0.30 . 1 . . . . . 293 LYS CE . 27725 1 207 . 1 1 17 17 LYS N N 15 122.627 0.30 . 1 . . . . . 293 LYS N . 27725 1 208 . 1 1 18 18 PRO HA H 1 4.39 0.02 . 1 . . . . . 294 PRO HA . 27725 1 209 . 1 1 18 18 PRO HB2 H 1 1.929 0.02 . 2 . . . . . 294 PRO HB1 . 27725 1 210 . 1 1 18 18 PRO HB3 H 1 2.316 0.02 . 2 . . . . . 294 PRO HB2 . 27725 1 211 . 1 1 18 18 PRO HG2 H 1 2.01 0.02 . 2 . . . . . 294 PRO HG1 . 27725 1 212 . 1 1 18 18 PRO HG3 H 1 2.072 0.02 . 2 . . . . . 294 PRO HG2 . 27725 1 213 . 1 1 18 18 PRO HD2 H 1 3.661 0.02 . 2 . . . . . 294 PRO HD1 . 27725 1 214 . 1 1 18 18 PRO HD3 H 1 3.86 0.02 . 2 . . . . . 294 PRO HD2 . 27725 1 215 . 1 1 18 18 PRO C C 13 175.693 0.30 . 1 . . . . . 294 PRO C . 27725 1 216 . 1 1 18 18 PRO CA C 13 63.365 0.30 . 1 . . . . . 294 PRO CA . 27725 1 217 . 1 1 18 18 PRO CB C 13 32.397 0.30 . 1 . . . . . 294 PRO CB . 27725 1 218 . 1 1 18 18 PRO CG C 13 27.433 0.30 . 1 . . . . . 294 PRO CG . 27725 1 219 . 1 1 18 18 PRO CD C 13 50.614 0.30 . 1 . . . . . 294 PRO CD . 27725 1 220 . 1 1 19 19 SER H H 1 9.635 0.02 . 1 . . . . . 295 SER HN . 27725 1 221 . 1 1 19 19 SER HA H 1 4.244 0.02 . 1 . . . . . 295 SER HA . 27725 1 222 . 1 1 19 19 SER HB2 H 1 3.829 0.02 . 2 . . . . . 295 SER HB1 . 27725 1 223 . 1 1 19 19 SER HB3 H 1 3.868 0.02 . 2 . . . . . 295 SER HB2 . 27725 1 224 . 1 1 19 19 SER C C 13 173.945 0.30 . 1 . . . . . 295 SER C . 27725 1 225 . 1 1 19 19 SER CA C 13 57.487 0.30 . 1 . . . . . 295 SER CA . 27725 1 226 . 1 1 19 19 SER CB C 13 63.515 0.30 . 1 . . . . . 295 SER CB . 27725 1 227 . 1 1 19 19 SER N N 15 121.421 0.30 . 1 . . . . . 295 SER N . 27725 1 228 . 1 1 20 20 PRO HA H 1 4.44 0.02 . 1 . . . . . 296 PRO HA . 27725 1 229 . 1 1 20 20 PRO HB2 H 1 1.865 0.02 . 2 . . . . . 296 PRO HB1 . 27725 1 230 . 1 1 20 20 PRO HB3 H 1 2.526 0.02 . 2 . . . . . 296 PRO HB2 . 27725 1 231 . 1 1 20 20 PRO HG2 H 1 1.991 0.02 . 2 . . . . . 296 PRO HG1 . 27725 1 232 . 1 1 20 20 PRO HG3 H 1 2.216 0.02 . 2 . . . . . 296 PRO HG2 . 27725 1 233 . 1 1 20 20 PRO HD2 H 1 3.974 0.02 . 2 . . . . . 296 PRO HD1 . 27725 1 234 . 1 1 20 20 PRO HD3 H 1 4.062 0.02 . 2 . . . . . 296 PRO HD2 . 27725 1 235 . 1 1 20 20 PRO C C 13 177.407 0.30 . 1 . . . . . 296 PRO C . 27725 1 236 . 1 1 20 20 PRO CA C 13 65.452 0.30 . 1 . . . . . 296 PRO CA . 27725 1 237 . 1 1 20 20 PRO CB C 13 32.24 0.30 . 1 . . . . . 296 PRO CB . 27725 1 238 . 1 1 20 20 PRO CG C 13 28.256 0.30 . 1 . . . . . 296 PRO CG . 27725 1 239 . 1 1 20 20 PRO CD C 13 51.158 0.30 . 1 . . . . . 296 PRO CD . 27725 1 240 . 1 1 21 21 ILE H H 1 7.476 0.02 . 1 . . . . . 297 ILE HN . 27725 1 241 . 1 1 21 21 ILE HA H 1 4.58 0.02 . 1 . . . . . 297 ILE HA . 27725 1 242 . 1 1 21 21 ILE HB H 1 2.156 0.02 . 1 . . . . . 297 ILE HB . 27725 1 243 . 1 1 21 21 ILE HG12 H 1 1.042 0.02 . 1 . . . . . 297 ILE HG11 . 27725 1 244 . 1 1 21 21 ILE HG13 H 1 1.157 0.02 . 1 . . . . . 297 ILE HG12 . 27725 1 245 . 1 1 21 21 ILE HG21 H 1 0.878 0.02 . 1 . . . . . 297 ILE HG21 . 27725 1 246 . 1 1 21 21 ILE HG22 H 1 0.878 0.02 . 1 . . . . . 297 ILE HG21 . 27725 1 247 . 1 1 21 21 ILE HG23 H 1 0.878 0.02 . 1 . . . . . 297 ILE HG21 . 27725 1 248 . 1 1 21 21 ILE HD11 H 1 0.864 0.02 . 1 . . . . . 297 ILE HD11 . 27725 1 249 . 1 1 21 21 ILE HD12 H 1 0.864 0.02 . 1 . . . . . 297 ILE HD11 . 27725 1 250 . 1 1 21 21 ILE HD13 H 1 0.864 0.02 . 1 . . . . . 297 ILE HD11 . 27725 1 251 . 1 1 21 21 ILE C C 13 174.9 0.30 . 1 . . . . . 297 ILE C . 27725 1 252 . 1 1 21 21 ILE CA C 13 60.333 0.30 . 1 . . . . . 297 ILE CA . 27725 1 253 . 1 1 21 21 ILE CB C 13 38.69 0.30 . 1 . . . . . 297 ILE CB . 27725 1 254 . 1 1 21 21 ILE CG1 C 13 26.413 0.30 . 1 . . . . . 297 ILE CG1 . 27725 1 255 . 1 1 21 21 ILE CG2 C 13 17.801 0.30 . 1 . . . . . 297 ILE CG2 . 27725 1 256 . 1 1 21 21 ILE CD1 C 13 13.877 0.30 . 1 . . . . . 297 ILE CD1 . 27725 1 257 . 1 1 21 21 ILE N N 15 107.556 0.30 . 1 . . . . . 297 ILE N . 27725 1 258 . 1 1 22 22 MET H H 1 7.732 0.02 . 1 . . . . . 298 MET HN . 27725 1 259 . 1 1 22 22 MET HA H 1 4.358 0.02 . 1 . . . . . 298 MET HA . 27725 1 260 . 1 1 22 22 MET HB2 H 1 2.435 0.02 . 2 . . . . . 298 MET HB1 . 27725 1 261 . 1 1 22 22 MET HB3 H 1 2.435 0.02 . 2 . . . . . 298 MET HB2 . 27725 1 262 . 1 1 22 22 MET HG2 H 1 2.417 0.02 . 2 . . . . . 298 MET HG1 . 27725 1 263 . 1 1 22 22 MET HG3 H 1 2.417 0.02 . 2 . . . . . 298 MET HG2 . 27725 1 264 . 1 1 22 22 MET HE1 H 1 0.702 0.02 . 1 . . . . . 298 MET HE1 . 27725 1 265 . 1 1 22 22 MET HE2 H 1 0.702 0.02 . 1 . . . . . 298 MET HE1 . 27725 1 266 . 1 1 22 22 MET HE3 H 1 0.702 0.02 . 1 . . . . . 298 MET HE1 . 27725 1 267 . 1 1 22 22 MET C C 13 174.053 0.30 . 1 . . . . . 298 MET C . 27725 1 268 . 1 1 22 22 MET CA C 13 55.605 0.30 . 1 . . . . . 298 MET CA . 27725 1 269 . 1 1 22 22 MET CB C 13 33.069 0.30 . 1 . . . . . 298 MET CB . 27725 1 270 . 1 1 22 22 MET CG C 13 33.756 0.30 . 1 . . . . . 298 MET CG . 27725 1 271 . 1 1 22 22 MET CE C 13 19.225 0.30 . 1 . . . . . 298 MET CE . 27725 1 272 . 1 1 22 22 MET N N 15 125.171 0.30 . 1 . . . . . 298 MET N . 27725 1 273 . 1 1 23 23 THR H H 1 8.857 0.02 . 1 . . . . . 299 THR HN . 27725 1 274 . 1 1 23 23 THR HA H 1 5.536 0.02 . 1 . . . . . 299 THR HA . 27725 1 275 . 1 1 23 23 THR HB H 1 4.301 0.02 . 1 . . . . . 299 THR HB . 27725 1 276 . 1 1 23 23 THR HG21 H 1 1.287 0.02 . 1 . . . . . 299 THR HG21 . 27725 1 277 . 1 1 23 23 THR HG22 H 1 1.287 0.02 . 1 . . . . . 299 THR HG21 . 27725 1 278 . 1 1 23 23 THR HG23 H 1 1.287 0.02 . 1 . . . . . 299 THR HG21 . 27725 1 279 . 1 1 23 23 THR C C 13 175.103 0.30 . 1 . . . . . 299 THR C . 27725 1 280 . 1 1 23 23 THR CA C 13 61.207 0.30 . 1 . . . . . 299 THR CA . 27725 1 281 . 1 1 23 23 THR CB C 13 71.451 0.30 . 1 . . . . . 299 THR CB . 27725 1 282 . 1 1 23 23 THR CG2 C 13 22.124 0.30 . 1 . . . . . 299 THR CG2 . 27725 1 283 . 1 1 23 23 THR N N 15 117.655 0.30 . 1 . . . . . 299 THR N . 27725 1 284 . 1 1 24 24 ASP H H 1 8.674 0.02 . 1 . . . . . 300 ASP HN . 27725 1 285 . 1 1 24 24 ASP HA H 1 4.199 0.02 . 1 . . . . . 300 ASP HA . 27725 1 286 . 1 1 24 24 ASP HB2 H 1 2.707 0.02 . 2 . . . . . 300 ASP HB1 . 27725 1 287 . 1 1 24 24 ASP HB3 H 1 2.787 0.02 . 2 . . . . . 300 ASP HB2 . 27725 1 288 . 1 1 24 24 ASP C C 13 177.068 0.30 . 1 . . . . . 300 ASP C . 27725 1 289 . 1 1 24 24 ASP CA C 13 58.945 0.30 . 1 . . . . . 300 ASP CA . 27725 1 290 . 1 1 24 24 ASP CB C 13 42.072 0.30 . 1 . . . . . 300 ASP CB . 27725 1 291 . 1 1 24 24 ASP N N 15 118.928 0.30 . 1 . . . . . 300 ASP N . 27725 1 292 . 1 1 25 25 GLU H H 1 8.125 0.02 . 1 . . . . . 301 GLU HN . 27725 1 293 . 1 1 25 25 GLU HA H 1 3.799 0.02 . 1 . . . . . 301 GLU HA . 27725 1 294 . 1 1 25 25 GLU HB2 H 1 1.745 0.02 . 2 . . . . . 301 GLU HB1 . 27725 1 295 . 1 1 25 25 GLU HB3 H 1 1.935 0.02 . 2 . . . . . 301 GLU HB2 . 27725 1 296 . 1 1 25 25 GLU HG2 H 1 2.143 0.02 . 2 . . . . . 301 GLU HG1 . 27725 1 297 . 1 1 25 25 GLU HG3 H 1 2.189 0.02 . 2 . . . . . 301 GLU HG2 . 27725 1 298 . 1 1 25 25 GLU C C 13 178.254 0.30 . 1 . . . . . 301 GLU C . 27725 1 299 . 1 1 25 25 GLU CA C 13 59.034 0.30 . 1 . . . . . 301 GLU CA . 27725 1 300 . 1 1 25 25 GLU CB C 13 29.487 0.30 . 1 . . . . . 301 GLU CB . 27725 1 301 . 1 1 25 25 GLU CG C 13 35.664 0.30 . 1 . . . . . 301 GLU CG . 27725 1 302 . 1 1 25 25 GLU N N 15 116.908 0.30 . 1 . . . . . 301 GLU N . 27725 1 303 . 1 1 26 26 GLN H H 1 7.568 0.02 . 1 . . . . . 302 GLN HN . 27725 1 304 . 1 1 26 26 GLN HA H 1 3.807 0.02 . 1 . . . . . 302 GLN HA . 27725 1 305 . 1 1 26 26 GLN HB2 H 1 1.749 0.02 . 2 . . . . . 302 GLN HB1 . 27725 1 306 . 1 1 26 26 GLN HB3 H 1 1.932 0.02 . 2 . . . . . 302 GLN HB2 . 27725 1 307 . 1 1 26 26 GLN HG2 H 1 2.168 0.02 . 2 . . . . . 302 GLN HG1 . 27725 1 308 . 1 1 26 26 GLN HG3 H 1 2.328 0.02 . 2 . . . . . 302 GLN HG2 . 27725 1 309 . 1 1 26 26 GLN HE21 H 1 6.683 0.02 . 2 . . . . . 302 GLN HE21 . 27725 1 310 . 1 1 26 26 GLN C C 13 179.203 0.30 . 1 . . . . . 302 GLN C . 27725 1 311 . 1 1 26 26 GLN CA C 13 58.73 0.30 . 1 . . . . . 302 GLN CA . 27725 1 312 . 1 1 26 26 GLN CB C 13 29.015 0.30 . 1 . . . . . 302 GLN CB . 27725 1 313 . 1 1 26 26 GLN CG C 13 35.408 0.30 . 1 . . . . . 302 GLN CG . 27725 1 314 . 1 1 26 26 GLN N N 15 117.13 0.30 . 1 . . . . . 302 GLN N . 27725 1 315 . 1 1 26 26 GLN NE2 N 15 110.402 0.30 . 1 . . . . . 302 GLN NE2 . 27725 1 316 . 1 1 27 27 ALA H H 1 8.346 0.02 . 1 . . . . . 303 ALA HN . 27725 1 317 . 1 1 27 27 ALA HA H 1 3.889 0.02 . 1 . . . . . 303 ALA HA . 27725 1 318 . 1 1 27 27 ALA HB1 H 1 0.953 0.02 . 1 . . . . . 303 ALA HB1 . 27725 1 319 . 1 1 27 27 ALA HB2 H 1 0.953 0.02 . 1 . . . . . 303 ALA HB1 . 27725 1 320 . 1 1 27 27 ALA HB3 H 1 0.953 0.02 . 1 . . . . . 303 ALA HB1 . 27725 1 321 . 1 1 27 27 ALA C C 13 177.961 0.30 . 1 . . . . . 303 ALA C . 27725 1 322 . 1 1 27 27 ALA CA C 13 54.856 0.30 . 1 . . . . . 303 ALA CA . 27725 1 323 . 1 1 27 27 ALA CB C 13 17.452 0.30 . 1 . . . . . 303 ALA CB . 27725 1 324 . 1 1 27 27 ALA N N 15 123.998 0.30 . 1 . . . . . 303 ALA N . 27725 1 325 . 1 1 28 28 ARG H H 1 7.339 0.02 . 1 . . . . . 304 ARG HN . 27725 1 326 . 1 1 28 28 ARG HA H 1 2.967 0.02 . 1 . . . . . 304 ARG HA . 27725 1 327 . 1 1 28 28 ARG HB2 H 1 1.261 0.02 . 2 . . . . . 304 ARG HB1 . 27725 1 328 . 1 1 28 28 ARG HB3 H 1 1.261 0.02 . 2 . . . . . 304 ARG HB2 . 27725 1 329 . 1 1 28 28 ARG HG2 H 1 0.882 0.02 . 2 . . . . . 304 ARG HG1 . 27725 1 330 . 1 1 28 28 ARG HG3 H 1 1.05 0.02 . 2 . . . . . 304 ARG HG2 . 27725 1 331 . 1 1 28 28 ARG HD2 H 1 3.135 0.02 . 2 . . . . . 304 ARG HD1 . 27725 1 332 . 1 1 28 28 ARG HD3 H 1 3.135 0.02 . 2 . . . . . 304 ARG HD2 . 27725 1 333 . 1 1 28 28 ARG C C 13 178.22 0.30 . 1 . . . . . 304 ARG C . 27725 1 334 . 1 1 28 28 ARG CA C 13 60.463 0.30 . 1 . . . . . 304 ARG CA . 27725 1 335 . 1 1 28 28 ARG CB C 13 29.015 0.30 . 1 . . . . . 304 ARG CB . 27725 1 336 . 1 1 28 28 ARG CG C 13 26.274 0.30 . 1 . . . . . 304 ARG CG . 27725 1 337 . 1 1 28 28 ARG CD C 13 42.911 0.30 . 1 . . . . . 304 ARG CD . 27725 1 338 . 1 1 28 28 ARG N N 15 118.201 0.30 . 1 . . . . . 304 ARG N . 27725 1 339 . 1 1 29 29 VAL H H 1 7.854 0.02 . 1 . . . . . 305 VAL HN . 27725 1 340 . 1 1 29 29 VAL HA H 1 3.458 0.02 . 1 . . . . . 305 VAL HA . 27725 1 341 . 1 1 29 29 VAL HB H 1 1.855 0.02 . 1 . . . . . 305 VAL HB . 27725 1 342 . 1 1 29 29 VAL HG11 H 1 0.813 0.02 . 2 . . . . . 305 VAL HG11 . 27725 1 343 . 1 1 29 29 VAL HG12 H 1 0.813 0.02 . 2 . . . . . 305 VAL HG11 . 27725 1 344 . 1 1 29 29 VAL HG13 H 1 0.813 0.02 . 2 . . . . . 305 VAL HG11 . 27725 1 345 . 1 1 29 29 VAL HG21 H 1 0.895 0.02 . 2 . . . . . 305 VAL HG21 . 27725 1 346 . 1 1 29 29 VAL HG22 H 1 0.895 0.02 . 2 . . . . . 305 VAL HG21 . 27725 1 347 . 1 1 29 29 VAL HG23 H 1 0.895 0.02 . 2 . . . . . 305 VAL HG21 . 27725 1 348 . 1 1 29 29 VAL C C 13 178.729 0.30 . 1 . . . . . 305 VAL C . 27725 1 349 . 1 1 29 29 VAL CA C 13 66.216 0.30 . 1 . . . . . 305 VAL CA . 27725 1 350 . 1 1 29 29 VAL CB C 13 31.689 0.30 . 1 . . . . . 305 VAL CB . 27725 1 351 . 1 1 29 29 VAL CG1 C 13 20.994 0.30 . 1 . . . . . 305 VAL CG1 . 27725 1 352 . 1 1 29 29 VAL CG2 C 13 23.063 0.30 . 1 . . . . . 305 VAL CG2 . 27725 1 353 . 1 1 29 29 VAL N N 15 116.873 0.30 . 1 . . . . . 305 VAL N . 27725 1 354 . 1 1 30 30 LYS H H 1 7.896 0.02 . 1 . . . . . 306 LYS HN . 27725 1 355 . 1 1 30 30 LYS HA H 1 3.969 0.02 . 1 . . . . . 306 LYS HA . 27725 1 356 . 1 1 30 30 LYS HB2 H 1 1.696 0.02 . 2 . . . . . 306 LYS HB1 . 27725 1 357 . 1 1 30 30 LYS HB3 H 1 1.825 0.02 . 2 . . . . . 306 LYS HB2 . 27725 1 358 . 1 1 30 30 LYS HG2 H 1 1.009 0.02 . 2 . . . . . 306 LYS HG1 . 27725 1 359 . 1 1 30 30 LYS HG3 H 1 1.069 0.02 . 2 . . . . . 306 LYS HG2 . 27725 1 360 . 1 1 30 30 LYS HD2 H 1 1.407 0.02 . 2 . . . . . 306 LYS HD1 . 27725 1 361 . 1 1 30 30 LYS HD3 H 1 1.567 0.02 . 2 . . . . . 306 LYS HD2 . 27725 1 362 . 1 1 30 30 LYS HE2 H 1 2.933 0.02 . 2 . . . . . 306 LYS HE1 . 27725 1 363 . 1 1 30 30 LYS HE3 H 1 2.933 0.02 . 2 . . . . . 306 LYS HE2 . 27725 1 364 . 1 1 30 30 LYS C C 13 179.101 0.30 . 1 . . . . . 306 LYS C . 27725 1 365 . 1 1 30 30 LYS CA C 13 58.467 0.30 . 1 . . . . . 306 LYS CA . 27725 1 366 . 1 1 30 30 LYS CB C 13 31.375 0.30 . 1 . . . . . 306 LYS CB . 27725 1 367 . 1 1 30 30 LYS CG C 13 24.238 0.30 . 1 . . . . . 306 LYS CG . 27725 1 368 . 1 1 30 30 LYS CD C 13 28.958 0.30 . 1 . . . . . 306 LYS CD . 27725 1 369 . 1 1 30 30 LYS CE C 13 41.854 0.30 . 1 . . . . . 306 LYS CE . 27725 1 370 . 1 1 30 30 LYS N N 15 121.34 0.30 . 1 . . . . . 306 LYS N . 27725 1 371 . 1 1 31 31 LEU H H 1 7.942 0.02 . 1 . . . . . 307 LEU HN . 27725 1 372 . 1 1 31 31 LEU HA H 1 3.879 0.02 . 1 . . . . . 307 LEU HA . 27725 1 373 . 1 1 31 31 LEU HB2 H 1 2.268 0.02 . 2 . . . . . 307 LEU HB1 . 27725 1 374 . 1 1 31 31 LEU HB3 H 1 2.542 0.02 . 2 . . . . . 307 LEU HB2 . 27725 1 375 . 1 1 31 31 LEU HG H 1 1.41 0.02 . 1 . . . . . 307 LEU HG . 27725 1 376 . 1 1 31 31 LEU HD11 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD11 . 27725 1 377 . 1 1 31 31 LEU HD12 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD11 . 27725 1 378 . 1 1 31 31 LEU HD13 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD11 . 27725 1 379 . 1 1 31 31 LEU HD21 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD21 . 27725 1 380 . 1 1 31 31 LEU HD22 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD21 . 27725 1 381 . 1 1 31 31 LEU HD23 H 1 1.41 0.02 . 2 . . . . . 307 LEU HD21 . 27725 1 382 . 1 1 31 31 LEU C C 13 179.067 0.30 . 1 . . . . . 307 LEU C . 27725 1 383 . 1 1 31 31 LEU CA C 13 57.88 0.30 . 1 . . . . . 307 LEU CA . 27725 1 384 . 1 1 31 31 LEU CB C 13 41.679 0.30 . 1 . . . . . 307 LEU CB . 27725 1 385 . 1 1 31 31 LEU CG C 13 28.603 0.30 . 1 . . . . . 307 LEU CG . 27725 1 386 . 1 1 31 31 LEU CD1 C 13 24.087 0.30 . 1 . . . . . 307 LEU CD1 . 27725 1 387 . 1 1 31 31 LEU CD2 C 13 24.087 0.30 . 1 . . . . . 307 LEU CD2 . 27725 1 388 . 1 1 31 31 LEU N N 15 117.562 0.30 . 1 . . . . . 307 LEU N . 27725 1 389 . 1 1 32 32 GLU H H 1 8.311 0.02 . 1 . . . . . 308 GLU HN . 27725 1 390 . 1 1 32 32 GLU HA H 1 3.959 0.02 . 1 . . . . . 308 GLU HA . 27725 1 391 . 1 1 32 32 GLU HB2 H 1 1.925 0.02 . 2 . . . . . 308 GLU HB1 . 27725 1 392 . 1 1 32 32 GLU HB3 H 1 1.951 0.02 . 2 . . . . . 308 GLU HB2 . 27725 1 393 . 1 1 32 32 GLU HG2 H 1 2.301 0.02 . 2 . . . . . 308 GLU HG1 . 27725 1 394 . 1 1 32 32 GLU HG3 H 1 2.363 0.02 . 2 . . . . . 308 GLU HG2 . 27725 1 395 . 1 1 32 32 GLU C C 13 180.389 0.30 . 1 . . . . . 308 GLU C . 27725 1 396 . 1 1 32 32 GLU CA C 13 59.812 0.30 . 1 . . . . . 308 GLU CA . 27725 1 397 . 1 1 32 32 GLU CB C 13 29.329 0.30 . 1 . . . . . 308 GLU CB . 27725 1 398 . 1 1 32 32 GLU CG C 13 36.365 0.30 . 1 . . . . . 308 GLU CG . 27725 1 399 . 1 1 32 32 GLU N N 15 119.775 0.30 . 1 . . . . . 308 GLU N . 27725 1 400 . 1 1 33 33 GLN H H 1 8.049 0.02 . 1 . . . . . 309 GLN HN . 27725 1 401 . 1 1 33 33 GLN HA H 1 3.949 0.02 . 1 . . . . . 309 GLN HA . 27725 1 402 . 1 1 33 33 GLN HB2 H 1 2.095 0.02 . 2 . . . . . 309 GLN HB1 . 27725 1 403 . 1 1 33 33 GLN HB3 H 1 2.2 0.02 . 2 . . . . . 309 GLN HB2 . 27725 1 404 . 1 1 33 33 GLN HG2 H 1 2.259 0.02 . 2 . . . . . 309 GLN HG1 . 27725 1 405 . 1 1 33 33 GLN HG3 H 1 2.419 0.02 . 2 . . . . . 309 GLN HG2 . 27725 1 406 . 1 1 33 33 GLN HE21 H 1 6.749 0.02 . 2 . . . . . 309 GLN HE21 . 27725 1 407 . 1 1 33 33 GLN HE22 H 1 7.476 0.02 . 2 . . . . . 309 GLN HE22 . 27725 1 408 . 1 1 33 33 GLN C C 13 178.322 0.30 . 1 . . . . . 309 GLN C . 27725 1 409 . 1 1 33 33 GLN CA C 13 58.684 0.30 . 1 . . . . . 309 GLN CA . 27725 1 410 . 1 1 33 33 GLN CB C 13 27.835 0.30 . 1 . . . . . 309 GLN CB . 27725 1 411 . 1 1 33 33 GLN CG C 13 33.807 0.30 . 1 . . . . . 309 GLN CG . 27725 1 412 . 1 1 33 33 GLN N N 15 121.807 0.30 . 1 . . . . . 309 GLN N . 27725 1 413 . 1 1 33 33 GLN NE2 N 15 112.746 0.30 . 1 . . . . . 309 GLN NE2 . 27725 1 414 . 1 1 34 34 ILE H H 1 8.308 0.02 . 1 . . . . . 310 ILE HN . 27725 1 415 . 1 1 34 34 ILE HA H 1 3.538 0.02 . 1 . . . . . 310 ILE HA . 27725 1 416 . 1 1 34 34 ILE HB H 1 1.575 0.02 . 1 . . . . . 310 ILE HB . 27725 1 417 . 1 1 34 34 ILE HG12 H 1 0.486 0.02 . 1 . . . . . 310 ILE HG11 . 27725 1 418 . 1 1 34 34 ILE HG13 H 1 1.433 0.02 . 1 . . . . . 310 ILE HG12 . 27725 1 419 . 1 1 34 34 ILE HG21 H 1 0.499 0.02 . 1 . . . . . 310 ILE HG21 . 27725 1 420 . 1 1 34 34 ILE HG22 H 1 0.499 0.02 . 1 . . . . . 310 ILE HG21 . 27725 1 421 . 1 1 34 34 ILE HG23 H 1 0.499 0.02 . 1 . . . . . 310 ILE HG21 . 27725 1 422 . 1 1 34 34 ILE HD11 H 1 0.095 0.02 . 1 . . . . . 310 ILE HD11 . 27725 1 423 . 1 1 34 34 ILE HD12 H 1 0.095 0.02 . 1 . . . . . 310 ILE HD11 . 27725 1 424 . 1 1 34 34 ILE HD13 H 1 0.095 0.02 . 1 . . . . . 310 ILE HD11 . 27725 1 425 . 1 1 34 34 ILE C C 13 177.983 0.30 . 1 . . . . . 310 ILE C . 27725 1 426 . 1 1 34 34 ILE CA C 13 65.485 0.30 . 1 . . . . . 310 ILE CA . 27725 1 427 . 1 1 34 34 ILE CB C 13 38.218 0.30 . 1 . . . . . 310 ILE CB . 27725 1 428 . 1 1 34 34 ILE CG1 C 13 28.654 0.30 . 1 . . . . . 310 ILE CG1 . 27725 1 429 . 1 1 34 34 ILE CG2 C 13 17.437 0.30 . 1 . . . . . 310 ILE CG2 . 27725 1 430 . 1 1 34 34 ILE CD1 C 13 14.161 0.30 . 1 . . . . . 310 ILE CD1 . 27725 1 431 . 1 1 34 34 ILE N N 15 121.642 0.30 . 1 . . . . . 310 ILE N . 27725 1 432 . 1 1 35 35 ALA H H 1 8.6 0.02 . 1 . . . . . 311 ALA HN . 27725 1 433 . 1 1 35 35 ALA HA H 1 3.778 0.02 . 1 . . . . . 311 ALA HA . 27725 1 434 . 1 1 35 35 ALA HB1 H 1 1.544 0.02 . 1 . . . . . 311 ALA HB1 . 27725 1 435 . 1 1 35 35 ALA HB2 H 1 1.544 0.02 . 1 . . . . . 311 ALA HB1 . 27725 1 436 . 1 1 35 35 ALA HB3 H 1 1.544 0.02 . 1 . . . . . 311 ALA HB1 . 27725 1 437 . 1 1 35 35 ALA C C 13 179.813 0.30 . 1 . . . . . 311 ALA C . 27725 1 438 . 1 1 35 35 ALA CA C 13 55.636 0.30 . 1 . . . . . 311 ALA CA . 27725 1 439 . 1 1 35 35 ALA CB C 13 18.396 0.30 . 1 . . . . . 311 ALA CB . 27725 1 440 . 1 1 35 35 ALA N N 15 120.456 0.30 . 1 . . . . . 311 ALA N . 27725 1 441 . 1 1 36 36 ALA H H 1 7.793 0.02 . 1 . . . . . 312 ALA HN . 27725 1 442 . 1 1 36 36 ALA HA H 1 4.059 0.02 . 1 . . . . . 312 ALA HA . 27725 1 443 . 1 1 36 36 ALA HB1 H 1 1.504 0.02 . 1 . . . . . 312 ALA HB1 . 27725 1 444 . 1 1 36 36 ALA HB2 H 1 1.504 0.02 . 1 . . . . . 312 ALA HB1 . 27725 1 445 . 1 1 36 36 ALA HB3 H 1 1.504 0.02 . 1 . . . . . 312 ALA HB1 . 27725 1 446 . 1 1 36 36 ALA C C 13 181.033 0.30 . 1 . . . . . 312 ALA C . 27725 1 447 . 1 1 36 36 ALA CA C 13 55.127 0.30 . 1 . . . . . 312 ALA CA . 27725 1 448 . 1 1 36 36 ALA CB C 13 17.767 0.30 . 1 . . . . . 312 ALA CB . 27725 1 449 . 1 1 36 36 ALA N N 15 119.812 0.30 . 1 . . . . . 312 ALA N . 27725 1 450 . 1 1 37 37 ASP H H 1 8.242 0.02 . 1 . . . . . 313 ASP HN . 27725 1 451 . 1 1 37 37 ASP HA H 1 4.39 0.02 . 1 . . . . . 313 ASP HA . 27725 1 452 . 1 1 37 37 ASP HB2 H 1 2.376 0.02 . 2 . . . . . 313 ASP HB1 . 27725 1 453 . 1 1 37 37 ASP HB3 H 1 2.917 0.02 . 2 . . . . . 313 ASP HB2 . 27725 1 454 . 1 1 37 37 ASP C C 13 178.481 0.30 . 1 . . . . . 313 ASP C . 27725 1 455 . 1 1 37 37 ASP CA C 13 57.036 0.30 . 1 . . . . . 313 ASP CA . 27725 1 456 . 1 1 37 37 ASP CB C 13 39.791 0.30 . 1 . . . . . 313 ASP CB . 27725 1 457 . 1 1 37 37 ASP N N 15 122.155 0.30 . 1 . . . . . 313 ASP N . 27725 1 458 . 1 1 38 38 ILE H H 1 8.485 0.02 . 1 . . . . . 314 ILE HN . 27725 1 459 . 1 1 38 38 ILE HA H 1 3.999 0.02 . 1 . . . . . 314 ILE HA . 27725 1 460 . 1 1 38 38 ILE HB H 1 1.786 0.02 . 1 . . . . . 314 ILE HB . 27725 1 461 . 1 1 38 38 ILE HG12 H 1 1.662 0.02 . 1 . . . . . 314 ILE HG11 . 27725 1 462 . 1 1 38 38 ILE HG13 H 1 1.662 0.02 . 1 . . . . . 314 ILE HG12 . 27725 1 463 . 1 1 38 38 ILE HG21 H 1 1.023 0.02 . 1 . . . . . 314 ILE HG21 . 27725 1 464 . 1 1 38 38 ILE HG22 H 1 1.023 0.02 . 1 . . . . . 314 ILE HG21 . 27725 1 465 . 1 1 38 38 ILE HG23 H 1 1.023 0.02 . 1 . . . . . 314 ILE HG21 . 27725 1 466 . 1 1 38 38 ILE HD11 H 1 0.506 0.02 . 1 . . . . . 314 ILE HD11 . 27725 1 467 . 1 1 38 38 ILE HD12 H 1 0.506 0.02 . 1 . . . . . 314 ILE HD11 . 27725 1 468 . 1 1 38 38 ILE HD13 H 1 0.506 0.02 . 1 . . . . . 314 ILE HD11 . 27725 1 469 . 1 1 38 38 ILE C C 13 180.796 0.30 . 1 . . . . . 314 ILE C . 27725 1 470 . 1 1 38 38 ILE CA C 13 64.536 0.30 . 1 . . . . . 314 ILE CA . 27725 1 471 . 1 1 38 38 ILE CB C 13 38.611 0.30 . 1 . . . . . 314 ILE CB . 27725 1 472 . 1 1 38 38 ILE CG1 C 13 29.277 0.30 . 1 . . . . . 314 ILE CG1 . 27725 1 473 . 1 1 38 38 ILE CG2 C 13 17.562 0.30 . 1 . . . . . 314 ILE CG2 . 27725 1 474 . 1 1 38 38 ILE CD1 C 13 16.074 0.30 . 1 . . . . . 314 ILE CD1 . 27725 1 475 . 1 1 38 38 ILE N N 15 122.774 0.30 . 1 . . . . . 314 ILE N . 27725 1 476 . 1 1 39 39 LYS H H 1 8.55 0.02 . 1 . . . . . 315 LYS HN . 27725 1 477 . 1 1 39 39 LYS HA H 1 4.069 0.02 . 1 . . . . . 315 LYS HA . 27725 1 478 . 1 1 39 39 LYS HB2 H 1 1.904 0.02 . 2 . . . . . 315 LYS HB1 . 27725 1 479 . 1 1 39 39 LYS HB3 H 1 1.935 0.02 . 2 . . . . . 315 LYS HB2 . 27725 1 480 . 1 1 39 39 LYS HG2 H 1 1.579 0.02 . 2 . . . . . 315 LYS HG1 . 27725 1 481 . 1 1 39 39 LYS HG3 H 1 1.652 0.02 . 2 . . . . . 315 LYS HG2 . 27725 1 482 . 1 1 39 39 LYS HD2 H 1 1.699 0.02 . 2 . . . . . 315 LYS HD1 . 27725 1 483 . 1 1 39 39 LYS HD3 H 1 1.728 0.02 . 2 . . . . . 315 LYS HD2 . 27725 1 484 . 1 1 39 39 LYS HE2 H 1 3.161 0.02 . 2 . . . . . 315 LYS HE1 . 27725 1 485 . 1 1 39 39 LYS HE3 H 1 3.189 0.02 . 2 . . . . . 315 LYS HE2 . 27725 1 486 . 1 1 39 39 LYS C C 13 178.977 0.30 . 1 . . . . . 315 LYS C . 27725 1 487 . 1 1 39 39 LYS CA C 13 59.77 0.30 . 1 . . . . . 315 LYS CA . 27725 1 488 . 1 1 39 39 LYS CB C 13 32.461 0.30 . 1 . . . . . 315 LYS CB . 27725 1 489 . 1 1 39 39 LYS CG C 13 25.673 0.30 . 1 . . . . . 315 LYS CG . 27725 1 490 . 1 1 39 39 LYS CD C 13 29.394 0.30 . 1 . . . . . 315 LYS CD . 27725 1 491 . 1 1 39 39 LYS CE C 13 42.136 0.30 . 1 . . . . . 315 LYS CE . 27725 1 492 . 1 1 39 39 LYS N N 15 121.081 0.30 . 1 . . . . . 315 LYS N . 27725 1 493 . 1 1 40 40 SER H H 1 8.191 0.02 . 1 . . . . . 316 SER HN . 27725 1 494 . 1 1 40 40 SER HA H 1 4.423 0.02 . 1 . . . . . 316 SER HA . 27725 1 495 . 1 1 40 40 SER HB2 H 1 3.999 0.02 . 2 . . . . . 316 SER HB1 . 27725 1 496 . 1 1 40 40 SER HB3 H 1 4.149 0.02 . 2 . . . . . 316 SER HB2 . 27725 1 497 . 1 1 40 40 SER C C 13 175.611 0.30 . 1 . . . . . 316 SER C . 27725 1 498 . 1 1 40 40 SER CA C 13 58.896 0.30 . 1 . . . . . 316 SER CA . 27725 1 499 . 1 1 40 40 SER CB C 13 63.781 0.30 . 1 . . . . . 316 SER CB . 27725 1 500 . 1 1 40 40 SER N N 15 111.202 0.30 . 1 . . . . . 316 SER N . 27725 1 501 . 1 1 41 41 GLY H H 1 7.887 0.02 . 1 . . . . . 317 GLY HN . 27725 1 502 . 1 1 41 41 GLY HA2 H 1 3.939 0.02 . 2 . . . . . 317 GLY HA1 . 27725 1 503 . 1 1 41 41 GLY HA3 H 1 4.239 0.02 . 2 . . . . . 317 GLY HA2 . 27725 1 504 . 1 1 41 41 GLY C C 13 174.866 0.30 . 1 . . . . . 317 GLY C . 27725 1 505 . 1 1 41 41 GLY CA C 13 45.642 0.30 . 1 . . . . . 317 GLY CA . 27725 1 506 . 1 1 41 41 GLY N N 15 110.21 0.30 . 1 . . . . . 317 GLY N . 27725 1 507 . 1 1 42 42 LYS H H 1 8.416 0.02 . 1 . . . . . 318 LYS HN . 27725 1 508 . 1 1 42 42 LYS HA H 1 4.069 0.02 . 1 . . . . . 318 LYS HA . 27725 1 509 . 1 1 42 42 LYS HB2 H 1 1.685 0.02 . 2 . . . . . 318 LYS HB1 . 27725 1 510 . 1 1 42 42 LYS HB3 H 1 1.795 0.02 . 2 . . . . . 318 LYS HB2 . 27725 1 511 . 1 1 42 42 LYS HG2 H 1 1.349 0.02 . 2 . . . . . 318 LYS HG1 . 27725 1 512 . 1 1 42 42 LYS HG3 H 1 1.484 0.02 . 2 . . . . . 318 LYS HG2 . 27725 1 513 . 1 1 42 42 LYS HD2 H 1 1.585 0.02 . 2 . . . . . 318 LYS HD1 . 27725 1 514 . 1 1 42 42 LYS HD3 H 1 1.869 0.02 . 2 . . . . . 318 LYS HD2 . 27725 1 515 . 1 1 42 42 LYS HE2 H 1 2.94 0.02 . 2 . . . . . 318 LYS HE1 . 27725 1 516 . 1 1 42 42 LYS HE3 H 1 3.009 0.02 . 2 . . . . . 318 LYS HE2 . 27725 1 517 . 1 1 42 42 LYS C C 13 176.561 0.30 . 1 . . . . . 318 LYS C . 27725 1 518 . 1 1 42 42 LYS CA C 13 58.5 0.30 . 1 . . . . . 318 LYS CA . 27725 1 519 . 1 1 42 42 LYS CB C 13 33.184 0.30 . 1 . . . . . 318 LYS CB . 27725 1 520 . 1 1 42 42 LYS CG C 13 24.798 0.30 . 1 . . . . . 318 LYS CG . 27725 1 521 . 1 1 42 42 LYS CD C 13 29.135 0.30 . 1 . . . . . 318 LYS CD . 27725 1 522 . 1 1 42 42 LYS CE C 13 42.061 0.30 . 1 . . . . . 318 LYS CE . 27725 1 523 . 1 1 42 42 LYS N N 15 122.107 0.30 . 1 . . . . . 318 LYS N . 27725 1 524 . 1 1 43 43 THR H H 1 7.483 0.02 . 1 . . . . . 319 THR HN . 27725 1 525 . 1 1 43 43 THR HA H 1 4.575 0.02 . 1 . . . . . 319 THR HA . 27725 1 526 . 1 1 43 43 THR HB H 1 4.019 0.02 . 1 . . . . . 319 THR HB . 27725 1 527 . 1 1 43 43 THR HG21 H 1 0.909 0.02 . 1 . . . . . 319 THR HG21 . 27725 1 528 . 1 1 43 43 THR HG22 H 1 0.909 0.02 . 1 . . . . . 319 THR HG21 . 27725 1 529 . 1 1 43 43 THR HG23 H 1 0.909 0.02 . 1 . . . . . 319 THR HG21 . 27725 1 530 . 1 1 43 43 THR C C 13 172.698 0.30 . 1 . . . . . 319 THR C . 27725 1 531 . 1 1 43 43 THR CA C 13 58.814 0.30 . 1 . . . . . 319 THR CA . 27725 1 532 . 1 1 43 43 THR CB C 13 69.602 0.30 . 1 . . . . . 319 THR CB . 27725 1 533 . 1 1 43 43 THR CG2 C 13 18.741 0.30 . 1 . . . . . 319 THR CG2 . 27725 1 534 . 1 1 43 43 THR N N 15 110.406 0.30 . 1 . . . . . 319 THR N . 27725 1 535 . 1 1 44 44 THR H H 1 8.063 0.02 . 1 . . . . . 320 THR HN . 27725 1 536 . 1 1 44 44 THR HA H 1 5.105 0.02 . 1 . . . . . 320 THR HA . 27725 1 537 . 1 1 44 44 THR HB H 1 4.475 0.02 . 1 . . . . . 320 THR HB . 27725 1 538 . 1 1 44 44 THR HG21 H 1 1.354 0.02 . 1 . . . . . 320 THR HG21 . 27725 1 539 . 1 1 44 44 THR HG22 H 1 1.354 0.02 . 1 . . . . . 320 THR HG21 . 27725 1 540 . 1 1 44 44 THR HG23 H 1 1.354 0.02 . 1 . . . . . 320 THR HG21 . 27725 1 541 . 1 1 44 44 THR C C 13 174.629 0.30 . 1 . . . . . 320 THR C . 27725 1 542 . 1 1 44 44 THR CA C 13 59.182 0.30 . 1 . . . . . 320 THR CA . 27725 1 543 . 1 1 44 44 THR CB C 13 68.047 0.30 . 1 . . . . . 320 THR CB . 27725 1 544 . 1 1 44 44 THR CG2 C 13 22.708 0.30 . 1 . . . . . 320 THR CG2 . 27725 1 545 . 1 1 44 44 THR N N 15 110.292 0.30 . 1 . . . . . 320 THR N . 27725 1 546 . 1 1 45 45 PHE H H 1 9.555 0.02 . 1 . . . . . 321 PHE HN . 27725 1 547 . 1 1 45 45 PHE HA H 1 3.7 0.02 . 1 . . . . . 321 PHE HA . 27725 1 548 . 1 1 45 45 PHE HB2 H 1 3.037 0.02 . 2 . . . . . 321 PHE HB1 . 27725 1 549 . 1 1 45 45 PHE HB3 H 1 3.087 0.02 . 2 . . . . . 321 PHE HB2 . 27725 1 550 . 1 1 45 45 PHE HD1 H 1 7.054 0.02 . 3 . . . . . 321 PHE HD1 . 27725 1 551 . 1 1 45 45 PHE HD2 H 1 7.054 0.02 . 3 . . . . . 321 PHE HD2 . 27725 1 552 . 1 1 45 45 PHE HE1 H 1 7.083 0.02 . 3 . . . . . 321 PHE HE1 . 27725 1 553 . 1 1 45 45 PHE HE2 H 1 7.083 0.02 . 3 . . . . . 321 PHE HE2 . 27725 1 554 . 1 1 45 45 PHE HZ H 1 6.96 0.02 . 1 . . . . . 321 PHE HZ . 27725 1 555 . 1 1 45 45 PHE C C 13 177.647 0.30 . 1 . . . . . 321 PHE C . 27725 1 556 . 1 1 45 45 PHE CA C 13 61.808 0.30 . 1 . . . . . 321 PHE CA . 27725 1 557 . 1 1 45 45 PHE CB C 13 39.476 0.30 . 1 . . . . . 321 PHE CB . 27725 1 558 . 1 1 45 45 PHE CD1 C 13 129.973 0.30 . 3 . . . . . 321 PHE CD1 . 27725 1 559 . 1 1 45 45 PHE CD2 C 13 129.973 0.30 . 3 . . . . . 321 PHE CD2 . 27725 1 560 . 1 1 45 45 PHE CE1 C 13 132.452 0.30 . 3 . . . . . 321 PHE CE1 . 27725 1 561 . 1 1 45 45 PHE CE2 C 13 132.452 0.30 . 3 . . . . . 321 PHE CE2 . 27725 1 562 . 1 1 45 45 PHE CZ C 13 127.358 0.30 . 1 . . . . . 321 PHE CZ . 27725 1 563 . 1 1 45 45 PHE N N 15 124.366 0.30 . 1 . . . . . 321 PHE N . 27725 1 564 . 1 1 46 46 ALA H H 1 8.872 0.02 . 1 . . . . . 322 ALA HN . 27725 1 565 . 1 1 46 46 ALA HA H 1 3.996 0.02 . 1 . . . . . 322 ALA HA . 27725 1 566 . 1 1 46 46 ALA HB1 H 1 1.524 0.02 . 1 . . . . . 322 ALA HB1 . 27725 1 567 . 1 1 46 46 ALA HB2 H 1 1.524 0.02 . 1 . . . . . 322 ALA HB1 . 27725 1 568 . 1 1 46 46 ALA HB3 H 1 1.524 0.02 . 1 . . . . . 322 ALA HB1 . 27725 1 569 . 1 1 46 46 ALA C C 13 180.475 0.30 . 1 . . . . . 322 ALA C . 27725 1 570 . 1 1 46 46 ALA CA C 13 55.249 0.30 . 1 . . . . . 322 ALA CA . 27725 1 571 . 1 1 46 46 ALA CB C 13 18.632 0.30 . 1 . . . . . 322 ALA CB . 27725 1 572 . 1 1 46 46 ALA N N 15 117.352 0.30 . 1 . . . . . 322 ALA N . 27725 1 573 . 1 1 47 47 ALA H H 1 7.833 0.02 . 1 . . . . . 323 ALA HN . 27725 1 574 . 1 1 47 47 ALA HA H 1 4.049 0.02 . 1 . . . . . 323 ALA HA . 27725 1 575 . 1 1 47 47 ALA HB1 H 1 1.414 0.02 . 1 . . . . . 323 ALA HB1 . 27725 1 576 . 1 1 47 47 ALA HB2 H 1 1.414 0.02 . 1 . . . . . 323 ALA HB1 . 27725 1 577 . 1 1 47 47 ALA HB3 H 1 1.414 0.02 . 1 . . . . . 323 ALA HB1 . 27725 1 578 . 1 1 47 47 ALA C C 13 180.897 0.30 . 1 . . . . . 323 ALA C . 27725 1 579 . 1 1 47 47 ALA CA C 13 54.993 0.30 . 1 . . . . . 323 ALA CA . 27725 1 580 . 1 1 47 47 ALA CB C 13 18.475 0.30 . 1 . . . . . 323 ALA CB . 27725 1 581 . 1 1 47 47 ALA N N 15 120.256 0.30 . 1 . . . . . 323 ALA N . 27725 1 582 . 1 1 48 48 ALA H H 1 8.363 0.02 . 1 . . . . . 324 ALA HN . 27725 1 583 . 1 1 48 48 ALA HA H 1 4.319 0.02 . 1 . . . . . 324 ALA HA . 27725 1 584 . 1 1 48 48 ALA HB1 H 1 1.334 0.02 . 1 . . . . . 324 ALA HB1 . 27725 1 585 . 1 1 48 48 ALA HB2 H 1 1.334 0.02 . 1 . . . . . 324 ALA HB1 . 27725 1 586 . 1 1 48 48 ALA HB3 H 1 1.334 0.02 . 1 . . . . . 324 ALA HB1 . 27725 1 587 . 1 1 48 48 ALA C C 13 179.847 0.30 . 1 . . . . . 324 ALA C . 27725 1 588 . 1 1 48 48 ALA CA C 13 54.542 0.30 . 1 . . . . . 324 ALA CA . 27725 1 589 . 1 1 48 48 ALA CB C 13 18.239 0.30 . 1 . . . . . 324 ALA CB . 27725 1 590 . 1 1 48 48 ALA N N 15 122.526 0.30 . 1 . . . . . 324 ALA N . 27725 1 591 . 1 1 49 49 ALA H H 1 8.916 0.02 . 1 . . . . . 325 ALA HN . 27725 1 592 . 1 1 49 49 ALA HA H 1 3.889 0.02 . 1 . . . . . 325 ALA HA . 27725 1 593 . 1 1 49 49 ALA HB1 H 1 1.344 0.02 . 1 . . . . . 325 ALA HB1 . 27725 1 594 . 1 1 49 49 ALA HB2 H 1 1.344 0.02 . 1 . . . . . 325 ALA HB1 . 27725 1 595 . 1 1 49 49 ALA HB3 H 1 1.344 0.02 . 1 . . . . . 325 ALA HB1 . 27725 1 596 . 1 1 49 49 ALA C C 13 179.474 0.30 . 1 . . . . . 325 ALA C . 27725 1 597 . 1 1 49 49 ALA CA C 13 55.503 0.30 . 1 . . . . . 325 ALA CA . 27725 1 598 . 1 1 49 49 ALA CB C 13 17.216 0.30 . 1 . . . . . 325 ALA CB . 27725 1 599 . 1 1 49 49 ALA N N 15 121.737 0.30 . 1 . . . . . 325 ALA N . 27725 1 600 . 1 1 50 50 LYS H H 1 7.742 0.02 . 1 . . . . . 326 LYS HN . 27725 1 601 . 1 1 50 50 LYS HA H 1 3.919 0.02 . 1 . . . . . 326 LYS HA . 27725 1 602 . 1 1 50 50 LYS HB2 H 1 1.915 0.02 . 2 . . . . . 326 LYS HB1 . 27725 1 603 . 1 1 50 50 LYS HB3 H 1 1.915 0.02 . 2 . . . . . 326 LYS HB2 . 27725 1 604 . 1 1 50 50 LYS HG2 H 1 1.51 0.02 . 2 . . . . . 326 LYS HG1 . 27725 1 605 . 1 1 50 50 LYS HG3 H 1 1.568 0.02 . 2 . . . . . 326 LYS HG2 . 27725 1 606 . 1 1 50 50 LYS HD2 H 1 1.704 0.02 . 2 . . . . . 326 LYS HD1 . 27725 1 607 . 1 1 50 50 LYS HD3 H 1 1.733 0.02 . 2 . . . . . 326 LYS HD2 . 27725 1 608 . 1 1 50 50 LYS HE2 H 1 2.933 0.02 . 2 . . . . . 326 LYS HE1 . 27725 1 609 . 1 1 50 50 LYS HE3 H 1 2.975 0.02 . 2 . . . . . 326 LYS HE2 . 27725 1 610 . 1 1 50 50 LYS C C 13 179.384 0.30 . 1 . . . . . 326 LYS C . 27725 1 611 . 1 1 50 50 LYS CA C 13 59.442 0.30 . 1 . . . . . 326 LYS CA . 27725 1 612 . 1 1 50 50 LYS CB C 13 32.633 0.30 . 1 . . . . . 326 LYS CB . 27725 1 613 . 1 1 50 50 LYS CG C 13 25.642 0.30 . 1 . . . . . 326 LYS CG . 27725 1 614 . 1 1 50 50 LYS CD C 13 29.603 0.30 . 1 . . . . . 326 LYS CD . 27725 1 615 . 1 1 50 50 LYS CE C 13 42.223 0.30 . 1 . . . . . 326 LYS CE . 27725 1 616 . 1 1 50 50 LYS N N 15 117.55 0.30 . 1 . . . . . 326 LYS N . 27725 1 617 . 1 1 51 51 GLU H H 1 7.742 0.02 . 1 . . . . . 327 GLU HN . 27725 1 618 . 1 1 51 51 GLU HA H 1 3.809 0.02 . 1 . . . . . 327 GLU HA . 27725 1 619 . 1 1 51 51 GLU HB2 H 1 1.154 0.02 . 2 . . . . . 327 GLU HB1 . 27725 1 620 . 1 1 51 51 GLU HB3 H 1 1.615 0.02 . 2 . . . . . 327 GLU HB2 . 27725 1 621 . 1 1 51 51 GLU HG2 H 1 0.997 0.02 . 2 . . . . . 327 GLU HG1 . 27725 1 622 . 1 1 51 51 GLU HG3 H 1 1.536 0.02 . 2 . . . . . 327 GLU HG2 . 27725 1 623 . 1 1 51 51 GLU C C 13 177.915 0.30 . 1 . . . . . 327 GLU C . 27725 1 624 . 1 1 51 51 GLU CA C 13 58.684 0.30 . 1 . . . . . 327 GLU CA . 27725 1 625 . 1 1 51 51 GLU CB C 13 30.509 0.30 . 1 . . . . . 327 GLU CB . 27725 1 626 . 1 1 51 51 GLU CG C 13 35.015 0.30 . 1 . . . . . 327 GLU CG . 27725 1 627 . 1 1 51 51 GLU N N 15 117.55 0.30 . 1 . . . . . 327 GLU N . 27725 1 628 . 1 1 52 52 PHE H H 1 8.426 0.02 . 1 . . . . . 328 PHE HN . 27725 1 629 . 1 1 52 52 PHE HA H 1 4.206 0.02 . 1 . . . . . 328 PHE HA . 27725 1 630 . 1 1 52 52 PHE HB2 H 1 2.726 0.02 . 2 . . . . . 328 PHE HB1 . 27725 1 631 . 1 1 52 52 PHE HB3 H 1 2.726 0.02 . 2 . . . . . 328 PHE HB2 . 27725 1 632 . 1 1 52 52 PHE HD1 H 1 7.299 0.02 . 3 . . . . . 328 PHE HD1 . 27725 1 633 . 1 1 52 52 PHE HD2 H 1 7.299 0.02 . 3 . . . . . 328 PHE HD2 . 27725 1 634 . 1 1 52 52 PHE HE1 H 1 6.925 0.02 . 3 . . . . . 328 PHE HE1 . 27725 1 635 . 1 1 52 52 PHE HE2 H 1 6.925 0.02 . 3 . . . . . 328 PHE HE2 . 27725 1 636 . 1 1 52 52 PHE HZ H 1 6.412 0.02 . 1 . . . . . 328 PHE HZ . 27725 1 637 . 1 1 52 52 PHE C C 13 177.068 0.30 . 1 . . . . . 328 PHE C . 27725 1 638 . 1 1 52 52 PHE CA C 13 58.556 0.30 . 1 . . . . . 328 PHE CA . 27725 1 639 . 1 1 52 52 PHE CB C 13 42.131 0.30 . 1 . . . . . 328 PHE CB . 27725 1 640 . 1 1 52 52 PHE CD1 C 13 132.169 0.30 . 3 . . . . . 328 PHE CD1 . 27725 1 641 . 1 1 52 52 PHE CD2 C 13 132.169 0.30 . 3 . . . . . 328 PHE CD2 . 27725 1 642 . 1 1 52 52 PHE CE1 C 13 130.042 0.30 . 3 . . . . . 328 PHE CE1 . 27725 1 643 . 1 1 52 52 PHE CE2 C 13 130.042 0.30 . 3 . . . . . 328 PHE CE2 . 27725 1 644 . 1 1 52 52 PHE CZ C 13 129.423 0.30 . 1 . . . . . 328 PHE CZ . 27725 1 645 . 1 1 52 52 PHE N N 15 111.563 0.30 . 1 . . . . . 328 PHE N . 27725 1 646 . 1 1 53 53 SER H H 1 8.658 0.02 . 1 . . . . . 329 SER HN . 27725 1 647 . 1 1 53 53 SER HA H 1 4.416 0.02 . 1 . . . . . 329 SER HA . 27725 1 648 . 1 1 53 53 SER HB2 H 1 3.994 0.02 . 2 . . . . . 329 SER HB1 . 27725 1 649 . 1 1 53 53 SER HB3 H 1 3.874 0.02 . 2 . . . . . 329 SER HB2 . 27725 1 650 . 1 1 53 53 SER C C 13 177.001 0.30 . 1 . . . . . 329 SER C . 27725 1 651 . 1 1 53 53 SER CA C 13 58.761 0.30 . 1 . . . . . 329 SER CA . 27725 1 652 . 1 1 53 53 SER CB C 13 64.345 0.30 . 1 . . . . . 329 SER CB . 27725 1 653 . 1 1 53 53 SER N N 15 109.469 0.30 . 1 . . . . . 329 SER N . 27725 1 654 . 1 1 54 54 GLN H H 1 9.723 0.02 . 1 . . . . . 330 GLN HN . 27725 1 655 . 1 1 54 54 GLN HA H 1 4.273 0.02 . 1 . . . . . 330 GLN HA . 27725 1 656 . 1 1 54 54 GLN HB2 H 1 2.113 0.02 . 2 . . . . . 330 GLN HB1 . 27725 1 657 . 1 1 54 54 GLN HB3 H 1 1.972 0.02 . 2 . . . . . 330 GLN HB2 . 27725 1 658 . 1 1 54 54 GLN HG2 H 1 2.324 0.02 . 2 . . . . . 330 GLN HG1 . 27725 1 659 . 1 1 54 54 GLN HG3 H 1 2.342 0.02 . 2 . . . . . 330 GLN HG2 . 27725 1 660 . 1 1 54 54 GLN HE21 H 1 6.962 0.02 . 2 . . . . . 330 GLN HE21 . 27725 1 661 . 1 1 54 54 GLN HE22 H 1 7.556 0.02 . 2 . . . . . 330 GLN HE22 . 27725 1 662 . 1 1 54 54 GLN C C 13 174.561 0.30 . 1 . . . . . 330 GLN C . 27725 1 663 . 1 1 54 54 GLN CA C 13 55.084 0.30 . 1 . . . . . 330 GLN CA . 27725 1 664 . 1 1 54 54 GLN CB C 13 28.543 0.30 . 1 . . . . . 330 GLN CB . 27725 1 665 . 1 1 54 54 GLN CG C 13 33.913 0.30 . 1 . . . . . 330 GLN CG . 27725 1 666 . 1 1 54 54 GLN N N 15 125.474 0.30 . 1 . . . . . 330 GLN N . 27725 1 667 . 1 1 54 54 GLN NE2 N 15 111.106 0.30 . 1 . . . . . 330 GLN NE2 . 27725 1 668 . 1 1 55 55 ASP H H 1 7.295 0.02 . 1 . . . . . 331 ASP HN . 27725 1 669 . 1 1 55 55 ASP HA H 1 5.207 0.02 . 1 . . . . . 331 ASP HA . 27725 1 670 . 1 1 55 55 ASP HB2 H 1 2.54 0.02 . 2 . . . . . 331 ASP HB1 . 27725 1 671 . 1 1 55 55 ASP HB3 H 1 2.7 0.02 . 2 . . . . . 331 ASP HB2 . 27725 1 672 . 1 1 55 55 ASP C C 13 174.595 0.30 . 1 . . . . . 331 ASP C . 27725 1 673 . 1 1 55 55 ASP CA C 13 50.215 0.30 . 1 . . . . . 331 ASP CA . 27725 1 674 . 1 1 55 55 ASP CB C 13 41.776 0.30 . 1 . . . . . 331 ASP CB . 27725 1 675 . 1 1 55 55 ASP N N 15 117 0.30 . 1 . . . . . 331 ASP N . 27725 1 676 . 1 1 56 56 PRO HA H 1 4.383 0.02 . 1 . . . . . 332 PRO HA . 27725 1 677 . 1 1 56 56 PRO HB2 H 1 1.907 0.02 . 2 . . . . . 332 PRO HB1 . 27725 1 678 . 1 1 56 56 PRO HB3 H 1 2.314 0.02 . 2 . . . . . 332 PRO HB2 . 27725 1 679 . 1 1 56 56 PRO HG2 H 1 2.021 0.02 . 2 . . . . . 332 PRO HG1 . 27725 1 680 . 1 1 56 56 PRO HG3 H 1 2.068 0.02 . 2 . . . . . 332 PRO HG2 . 27725 1 681 . 1 1 56 56 PRO HD2 H 1 3.658 0.02 . 2 . . . . . 332 PRO HD1 . 27725 1 682 . 1 1 56 56 PRO HD3 H 1 3.855 0.02 . 2 . . . . . 332 PRO HD2 . 27725 1 683 . 1 1 56 56 PRO C C 13 178.73 0.30 . 1 . . . . . 332 PRO C . 27725 1 684 . 1 1 56 56 PRO CA C 13 63.192 0.30 . 1 . . . . . 332 PRO CA . 27725 1 685 . 1 1 56 56 PRO CB C 13 31.847 0.30 . 1 . . . . . 332 PRO CB . 27725 1 686 . 1 1 56 56 PRO CG C 13 27.384 0.30 . 1 . . . . . 332 PRO CG . 27725 1 687 . 1 1 56 56 PRO CD C 13 50.543 0.30 . 1 . . . . . 332 PRO CD . 27725 1 688 . 1 1 57 57 GLY H H 1 8.094 0.02 . 1 . . . . . 333 GLY HN . 27725 1 689 . 1 1 57 57 GLY HA2 H 1 3.899 0.02 . 2 . . . . . 333 GLY HA1 . 27725 1 690 . 1 1 57 57 GLY HA3 H 1 4.089 0.02 . 2 . . . . . 333 GLY HA2 . 27725 1 691 . 1 1 57 57 GLY C C 13 174.265 0.30 . 1 . . . . . 333 GLY C . 27725 1 692 . 1 1 57 57 GLY CA C 13 46.25 0.30 . 1 . . . . . 333 GLY CA . 27725 1 693 . 1 1 57 57 GLY N N 15 105.597 0.30 . 1 . . . . . 333 GLY N . 27725 1 694 . 1 1 58 58 SER H H 1 7.369 0.02 . 1 . . . . . 334 SER HN . 27725 1 695 . 1 1 58 58 SER HA H 1 4.271 0.02 . 1 . . . . . 334 SER HA . 27725 1 696 . 1 1 58 58 SER HB2 H 1 3.671 0.02 . 2 . . . . . 334 SER HB1 . 27725 1 697 . 1 1 58 58 SER HB3 H 1 3.671 0.02 . 2 . . . . . 334 SER HB2 . 27725 1 698 . 1 1 58 58 SER C C 13 177.306 0.30 . 1 . . . . . 334 SER C . 27725 1 699 . 1 1 58 58 SER CA C 13 59.248 0.30 . 1 . . . . . 334 SER CA . 27725 1 700 . 1 1 58 58 SER CB C 13 65.573 0.30 . 1 . . . . . 334 SER CB . 27725 1 701 . 1 1 58 58 SER N N 15 108.758 0.30 . 1 . . . . . 334 SER N . 27725 1 702 . 1 1 59 59 ALA H H 1 8.526 0.02 . 1 . . . . . 335 ALA HN . 27725 1 703 . 1 1 59 59 ALA HA H 1 3.879 0.02 . 1 . . . . . 335 ALA HA . 27725 1 704 . 1 1 59 59 ALA HB1 H 1 1.444 0.02 . 1 . . . . . 335 ALA HB1 . 27725 1 705 . 1 1 59 59 ALA HB2 H 1 1.444 0.02 . 1 . . . . . 335 ALA HB1 . 27725 1 706 . 1 1 59 59 ALA HB3 H 1 1.444 0.02 . 1 . . . . . 335 ALA HB1 . 27725 1 707 . 1 1 59 59 ALA C C 13 178.711 0.30 . 1 . . . . . 335 ALA C . 27725 1 708 . 1 1 59 59 ALA CA C 13 57.259 0.30 . 1 . . . . . 335 ALA CA . 27725 1 709 . 1 1 59 59 ALA CB C 13 19.183 0.30 . 1 . . . . . 335 ALA CB . 27725 1 710 . 1 1 59 59 ALA N N 15 130.744 0.30 . 1 . . . . . 335 ALA N . 27725 1 711 . 1 1 60 60 ASN H H 1 8.618 0.02 . 1 . . . . . 336 ASN HN . 27725 1 712 . 1 1 60 60 ASN HA H 1 4.634 0.02 . 1 . . . . . 336 ASN HA . 27725 1 713 . 1 1 60 60 ASN HB2 H 1 2.887 0.02 . 2 . . . . . 336 ASN HB1 . 27725 1 714 . 1 1 60 60 ASN HB3 H 1 2.887 0.02 . 2 . . . . . 336 ASN HB2 . 27725 1 715 . 1 1 60 60 ASN HD21 H 1 7.023 0.02 . 2 . . . . . 336 ASN HD21 . 27725 1 716 . 1 1 60 60 ASN C C 13 176.029 0.30 . 1 . . . . . 336 ASN C . 27725 1 717 . 1 1 60 60 ASN CA C 13 54.756 0.30 . 1 . . . . . 336 ASN CA . 27725 1 718 . 1 1 60 60 ASN CB C 13 37.982 0.30 . 1 . . . . . 336 ASN CB . 27725 1 719 . 1 1 60 60 ASN N N 15 111.353 0.30 . 1 . . . . . 336 ASN N . 27725 1 720 . 1 1 60 60 ASN ND2 N 15 112.512 0.30 . 1 . . . . . 336 ASN ND2 . 27725 1 721 . 1 1 61 61 GLN H H 1 7.62 0.02 . 1 . . . . . 337 GLN HN . 27725 1 722 . 1 1 61 61 GLN HA H 1 4.79 0.02 . 1 . . . . . 337 GLN HA . 27725 1 723 . 1 1 61 61 GLN HB2 H 1 2.126 0.02 . 2 . . . . . 337 GLN HB1 . 27725 1 724 . 1 1 61 61 GLN HB3 H 1 2.506 0.02 . 2 . . . . . 337 GLN HB2 . 27725 1 725 . 1 1 61 61 GLN HG2 H 1 2.415 0.02 . 2 . . . . . 337 GLN HG1 . 27725 1 726 . 1 1 61 61 GLN HG3 H 1 2.47 0.02 . 2 . . . . . 337 GLN HG2 . 27725 1 727 . 1 1 61 61 GLN C C 13 177.475 0.30 . 1 . . . . . 337 GLN C . 27725 1 728 . 1 1 61 61 GLN CA C 13 54.574 0.30 . 1 . . . . . 337 GLN CA . 27725 1 729 . 1 1 61 61 GLN CB C 13 28.228 0.30 . 1 . . . . . 337 GLN CB . 27725 1 730 . 1 1 61 61 GLN CG C 13 33.807 0.30 . 1 . . . . . 337 GLN CG . 27725 1 731 . 1 1 61 61 GLN N N 15 118.296 0.30 . 1 . . . . . 337 GLN N . 27725 1 732 . 1 1 62 62 GLY H H 1 8.257 0.02 . 1 . . . . . 338 GLY HN . 27725 1 733 . 1 1 62 62 GLY HA2 H 1 4.089 0.02 . 2 . . . . . 338 GLY HA1 . 27725 1 734 . 1 1 62 62 GLY HA3 H 1 4.089 0.02 . 2 . . . . . 338 GLY HA2 . 27725 1 735 . 1 1 62 62 GLY C C 13 174.495 0.30 . 1 . . . . . 338 GLY C . 27725 1 736 . 1 1 62 62 GLY CA C 13 47.393 0.30 . 1 . . . . . 338 GLY CA . 27725 1 737 . 1 1 62 62 GLY N N 15 109.201 0.30 . 1 . . . . . 338 GLY N . 27725 1 738 . 1 1 63 63 GLY H H 1 8.286 0.02 . 1 . . . . . 339 GLY HN . 27725 1 739 . 1 1 63 63 GLY HA2 H 1 3.947 0.02 . 2 . . . . . 339 GLY HA1 . 27725 1 740 . 1 1 63 63 GLY HA3 H 1 4.224 0.02 . 2 . . . . . 339 GLY HA2 . 27725 1 741 . 1 1 63 63 GLY C C 13 174.29 0.30 . 1 . . . . . 339 GLY C . 27725 1 742 . 1 1 63 63 GLY CA C 13 45.445 0.30 . 1 . . . . . 339 GLY CA . 27725 1 743 . 1 1 63 63 GLY N N 15 105.072 0.30 . 1 . . . . . 339 GLY N . 27725 1 744 . 1 1 64 64 ASP H H 1 6.999 0.02 . 1 . . . . . 340 ASP HN . 27725 1 745 . 1 1 64 64 ASP HA H 1 4.199 0.02 . 1 . . . . . 340 ASP HA . 27725 1 746 . 1 1 64 64 ASP HB2 H 1 2.747 0.02 . 2 . . . . . 340 ASP HB1 . 27725 1 747 . 1 1 64 64 ASP HB3 H 1 3.017 0.02 . 2 . . . . . 340 ASP HB2 . 27725 1 748 . 1 1 64 64 ASP C C 13 175.645 0.30 . 1 . . . . . 340 ASP C . 27725 1 749 . 1 1 64 64 ASP CA C 13 56.613 0.30 . 1 . . . . . 340 ASP CA . 27725 1 750 . 1 1 64 64 ASP CB C 13 42.528 0.30 . 1 . . . . . 340 ASP CB . 27725 1 751 . 1 1 64 64 ASP N N 15 119.367 0.30 . 1 . . . . . 340 ASP N . 27725 1 752 . 1 1 65 65 LEU H H 1 8.48 0.02 . 1 . . . . . 341 LEU HN . 27725 1 753 . 1 1 65 65 LEU HA H 1 4.3 0.02 . 1 . . . . . 341 LEU HA . 27725 1 754 . 1 1 65 65 LEU HB2 H 1 1.665 0.02 . 2 . . . . . 341 LEU HB1 . 27725 1 755 . 1 1 65 65 LEU HB3 H 1 1.604 0.02 . 2 . . . . . 341 LEU HB2 . 27725 1 756 . 1 1 65 65 LEU HG H 1 1.639 0.02 . 1 . . . . . 341 LEU HG . 27725 1 757 . 1 1 65 65 LEU HD11 H 1 0.912 0.02 . 2 . . . . . 341 LEU HD11 . 27725 1 758 . 1 1 65 65 LEU HD12 H 1 0.912 0.02 . 2 . . . . . 341 LEU HD11 . 27725 1 759 . 1 1 65 65 LEU HD13 H 1 0.912 0.02 . 2 . . . . . 341 LEU HD11 . 27725 1 760 . 1 1 65 65 LEU HD21 H 1 0.849 0.02 . 2 . . . . . 341 LEU HD21 . 27725 1 761 . 1 1 65 65 LEU HD22 H 1 0.849 0.02 . 2 . . . . . 341 LEU HD21 . 27725 1 762 . 1 1 65 65 LEU HD23 H 1 0.849 0.02 . 2 . . . . . 341 LEU HD21 . 27725 1 763 . 1 1 65 65 LEU C C 13 178.084 0.30 . 1 . . . . . 341 LEU C . 27725 1 764 . 1 1 65 65 LEU CA C 13 54.902 0.30 . 1 . . . . . 341 LEU CA . 27725 1 765 . 1 1 65 65 LEU CB C 13 42.759 0.30 . 1 . . . . . 341 LEU CB . 27725 1 766 . 1 1 65 65 LEU CG C 13 26.916 0.30 . 1 . . . . . 341 LEU CG . 27725 1 767 . 1 1 65 65 LEU CD1 C 13 24.97 0.30 . 1 . . . . . 341 LEU CD1 . 27725 1 768 . 1 1 65 65 LEU CD2 C 13 23.337 0.30 . 1 . . . . . 341 LEU CD2 . 27725 1 769 . 1 1 65 65 LEU N N 15 126.635 0.30 . 1 . . . . . 341 LEU N . 27725 1 770 . 1 1 66 66 GLY H H 1 8.903 0.02 . 1 . . . . . 342 GLY HN . 27725 1 771 . 1 1 66 66 GLY HA2 H 1 3.55 0.02 . 2 . . . . . 342 GLY HA1 . 27725 1 772 . 1 1 66 66 GLY HA3 H 1 3.55 0.02 . 2 . . . . . 342 GLY HA2 . 27725 1 773 . 1 1 66 66 GLY C C 13 172.088 0.30 . 1 . . . . . 342 GLY C . 27725 1 774 . 1 1 66 66 GLY CA C 13 44.536 0.30 . 1 . . . . . 342 GLY CA . 27725 1 775 . 1 1 66 66 GLY N N 15 109.026 0.30 . 1 . . . . . 342 GLY N . 27725 1 776 . 1 1 67 67 TRP H H 1 8.237 0.02 . 1 . . . . . 343 TRP HN . 27725 1 777 . 1 1 67 67 TRP HA H 1 4.297 0.02 . 1 . . . . . 343 TRP HA . 27725 1 778 . 1 1 67 67 TRP HB2 H 1 1.967 0.02 . 2 . . . . . 343 TRP HB1 . 27725 1 779 . 1 1 67 67 TRP HB3 H 1 2.046 0.02 . 2 . . . . . 343 TRP HB2 . 27725 1 780 . 1 1 67 67 TRP HD1 H 1 6.96 0.02 . 1 . . . . . 343 TRP HD1 . 27725 1 781 . 1 1 67 67 TRP HE1 H 1 9.812 0.02 . 1 . . . . . 343 TRP HE1 . 27725 1 782 . 1 1 67 67 TRP HE3 H 1 7.22 0.02 . 1 . . . . . 343 TRP HE3 . 27725 1 783 . 1 1 67 67 TRP HZ2 H 1 7.487 0.02 . 4 . . . . . 343 TRP HZ2 . 27725 1 784 . 1 1 67 67 TRP HZ3 H 1 7.148 0.02 . 4 . . . . . 343 TRP HZ3 . 27725 1 785 . 1 1 67 67 TRP HH2 H 1 7.164 0.02 . 1 . . . . . 343 TRP HH2 . 27725 1 786 . 1 1 67 67 TRP C C 13 177.509 0.30 . 1 . . . . . 343 TRP C . 27725 1 787 . 1 1 67 67 TRP CA C 13 57.383 0.30 . 1 . . . . . 343 TRP CA . 27725 1 788 . 1 1 67 67 TRP CB C 13 30.352 0.30 . 1 . . . . . 343 TRP CB . 27725 1 789 . 1 1 67 67 TRP CD1 C 13 127.358 0.30 . 1 . . . . . 343 TRP CD1 . 27725 1 790 . 1 1 67 67 TRP CE3 C 13 124.673 0.30 . 1 . . . . . 343 TRP CE3 . 27725 1 791 . 1 1 67 67 TRP CZ2 C 13 114.967 0.30 . 1 . . . . . 343 TRP CZ2 . 27725 1 792 . 1 1 67 67 TRP CZ3 C 13 122.057 0.30 . 1 . . . . . 343 TRP CZ3 . 27725 1 793 . 1 1 67 67 TRP CH2 C 13 124.122 0.30 . 1 . . . . . 343 TRP CH2 . 27725 1 794 . 1 1 67 67 TRP N N 15 120.268 0.30 . 1 . . . . . 343 TRP N . 27725 1 795 . 1 1 67 67 TRP NE1 N 15 128.525 0.30 . 1 . . . . . 343 TRP NE1 . 27725 1 796 . 1 1 68 68 ALA H H 1 9.098 0.02 . 1 . . . . . 344 ALA HN . 27725 1 797 . 1 1 68 68 ALA HA H 1 4.85 0.02 . 1 . . . . . 344 ALA HA . 27725 1 798 . 1 1 68 68 ALA HB1 H 1 1.334 0.02 . 1 . . . . . 344 ALA HB1 . 27725 1 799 . 1 1 68 68 ALA HB2 H 1 1.334 0.02 . 1 . . . . . 344 ALA HB1 . 27725 1 800 . 1 1 68 68 ALA HB3 H 1 1.334 0.02 . 1 . . . . . 344 ALA HB1 . 27725 1 801 . 1 1 68 68 ALA C C 13 177.373 0.30 . 1 . . . . . 344 ALA C . 27725 1 802 . 1 1 68 68 ALA CA C 13 51.524 0.30 . 1 . . . . . 344 ALA CA . 27725 1 803 . 1 1 68 68 ALA CB C 13 23.43 0.30 . 1 . . . . . 344 ALA CB . 27725 1 804 . 1 1 68 68 ALA N N 15 125.207 0.30 . 1 . . . . . 344 ALA N . 27725 1 805 . 1 1 69 69 THR H H 1 8.216 0.02 . 1 . . . . . 345 THR HN . 27725 1 806 . 1 1 69 69 THR HA H 1 5.098 0.02 . 1 . . . . . 345 THR HA . 27725 1 807 . 1 1 69 69 THR HB H 1 4.476 0.02 . 1 . . . . . 345 THR HB . 27725 1 808 . 1 1 69 69 THR HG21 H 1 1.358 0.02 . 1 . . . . . 345 THR HG21 . 27725 1 809 . 1 1 69 69 THR HG22 H 1 1.358 0.02 . 1 . . . . . 345 THR HG21 . 27725 1 810 . 1 1 69 69 THR HG23 H 1 1.358 0.02 . 1 . . . . . 345 THR HG21 . 27725 1 811 . 1 1 69 69 THR C C 13 174.188 0.30 . 1 . . . . . 345 THR C . 27725 1 812 . 1 1 69 69 THR CA C 13 59.248 0.30 . 1 . . . . . 345 THR CA . 27725 1 813 . 1 1 69 69 THR CB C 13 67.908 0.30 . 1 . . . . . 345 THR CB . 27725 1 814 . 1 1 69 69 THR CG2 C 13 22.533 0.30 . 1 . . . . . 345 THR CG2 . 27725 1 815 . 1 1 69 69 THR N N 15 113.733 0.30 . 1 . . . . . 345 THR N . 27725 1 816 . 1 1 70 70 PRO HA H 1 4.319 0.02 . 1 . . . . . 346 PRO HA . 27725 1 817 . 1 1 70 70 PRO HB2 H 1 2.156 0.02 . 2 . . . . . 346 PRO HB1 . 27725 1 818 . 1 1 70 70 PRO HB3 H 1 2.316 0.02 . 2 . . . . . 346 PRO HB2 . 27725 1 819 . 1 1 70 70 PRO HG2 H 1 1.988 0.02 . 2 . . . . . 346 PRO HG1 . 27725 1 820 . 1 1 70 70 PRO HG3 H 1 2.219 0.02 . 2 . . . . . 346 PRO HG2 . 27725 1 821 . 1 1 70 70 PRO HD2 H 1 3.663 0.02 . 2 . . . . . 346 PRO HD1 . 27725 1 822 . 1 1 70 70 PRO HD3 H 1 3.864 0.02 . 2 . . . . . 346 PRO HD2 . 27725 1 823 . 1 1 70 70 PRO C C 13 176.391 0.30 . 1 . . . . . 346 PRO C . 27725 1 824 . 1 1 70 70 PRO CA C 13 64.844 0.30 . 1 . . . . . 346 PRO CA . 27725 1 825 . 1 1 70 70 PRO CB C 13 31.925 0.30 . 1 . . . . . 346 PRO CB . 27725 1 826 . 1 1 70 70 PRO CG C 13 27.908 0.30 . 1 . . . . . 346 PRO CG . 27725 1 827 . 1 1 70 70 PRO CD C 13 50.987 0.30 . 1 . . . . . 346 PRO CD . 27725 1 828 . 1 1 71 71 ASP H H 1 8.063 0.02 . 1 . . . . . 347 ASP HN . 27725 1 829 . 1 1 71 71 ASP HA H 1 4.289 0.02 . 1 . . . . . 347 ASP HA . 27725 1 830 . 1 1 71 71 ASP HB2 H 1 2.646 0.02 . 2 . . . . . 347 ASP HB1 . 27725 1 831 . 1 1 71 71 ASP HB3 H 1 2.706 0.02 . 2 . . . . . 347 ASP HB2 . 27725 1 832 . 1 1 71 71 ASP C C 13 176.831 0.30 . 1 . . . . . 347 ASP C . 27725 1 833 . 1 1 71 71 ASP CA C 13 55.387 0.30 . 1 . . . . . 347 ASP CA . 27725 1 834 . 1 1 71 71 ASP CB C 13 40.027 0.30 . 1 . . . . . 347 ASP CB . 27725 1 835 . 1 1 71 71 ASP N N 15 113.569 0.30 . 1 . . . . . 347 ASP N . 27725 1 836 . 1 1 72 72 ILE H H 1 7.174 0.02 . 1 . . . . . 348 ILE HN . 27725 1 837 . 1 1 72 72 ILE HA H 1 4.069 0.02 . 1 . . . . . 348 ILE HA . 27725 1 838 . 1 1 72 72 ILE HB H 1 1.695 0.02 . 1 . . . . . 348 ILE HB . 27725 1 839 . 1 1 72 72 ILE HG12 H 1 0.29 0.02 . 1 . . . . . 348 ILE HG11 . 27725 1 840 . 1 1 72 72 ILE HG13 H 1 0.889 0.02 . 1 . . . . . 348 ILE HG12 . 27725 1 841 . 1 1 72 72 ILE HG21 H 1 0.929 0.02 . 1 . . . . . 348 ILE HG21 . 27725 1 842 . 1 1 72 72 ILE HG22 H 1 0.929 0.02 . 1 . . . . . 348 ILE HG21 . 27725 1 843 . 1 1 72 72 ILE HG23 H 1 0.929 0.02 . 1 . . . . . 348 ILE HG21 . 27725 1 844 . 1 1 72 72 ILE HD11 H 1 0.625 0.02 . 1 . . . . . 348 ILE HD11 . 27725 1 845 . 1 1 72 72 ILE HD12 H 1 0.625 0.02 . 1 . . . . . 348 ILE HD11 . 27725 1 846 . 1 1 72 72 ILE HD13 H 1 0.625 0.02 . 1 . . . . . 348 ILE HD11 . 27725 1 847 . 1 1 72 72 ILE C C 13 176.831 0.30 . 1 . . . . . 348 ILE C . 27725 1 848 . 1 1 72 72 ILE CA C 13 62.198 0.30 . 1 . . . . . 348 ILE CA . 27725 1 849 . 1 1 72 72 ILE CB C 13 38.06 0.30 . 1 . . . . . 348 ILE CB . 27725 1 850 . 1 1 72 72 ILE CG1 C 13 25.354 0.30 . 1 . . . . . 348 ILE CG1 . 27725 1 851 . 1 1 72 72 ILE CG2 C 13 21.109 0.30 . 1 . . . . . 348 ILE CG2 . 27725 1 852 . 1 1 72 72 ILE CD1 C 13 17.225 0.30 . 1 . . . . . 348 ILE CD1 . 27725 1 853 . 1 1 72 72 ILE N N 15 113.462 0.30 . 1 . . . . . 348 ILE N . 27725 1 854 . 1 1 73 73 PHE H H 1 7.288 0.02 . 1 . . . . . 349 PHE HN . 27725 1 855 . 1 1 73 73 PHE HA H 1 4.326 0.02 . 1 . . . . . 349 PHE HA . 27725 1 856 . 1 1 73 73 PHE HB2 H 1 2.583 0.02 . 2 . . . . . 349 PHE HB1 . 27725 1 857 . 1 1 73 73 PHE HB3 H 1 2.717 0.02 . 2 . . . . . 349 PHE HB2 . 27725 1 858 . 1 1 73 73 PHE HD1 H 1 6.209 0.02 . 3 . . . . . 349 PHE HD1 . 27725 1 859 . 1 1 73 73 PHE HD2 H 1 6.209 0.02 . 3 . . . . . 349 PHE HD2 . 27725 1 860 . 1 1 73 73 PHE HE1 H 1 6.303 0.02 . 3 . . . . . 349 PHE HE1 . 27725 1 861 . 1 1 73 73 PHE HE2 H 1 6.303 0.02 . 3 . . . . . 349 PHE HE2 . 27725 1 862 . 1 1 73 73 PHE HZ H 1 5.885 0.02 . 1 . . . . . 349 PHE HZ . 27725 1 863 . 1 1 73 73 PHE C C 13 174.968 0.30 . 1 . . . . . 349 PHE C . 27725 1 864 . 1 1 73 73 PHE CA C 13 56.561 0.30 . 1 . . . . . 349 PHE CA . 27725 1 865 . 1 1 73 73 PHE CB C 13 41.042 0.30 . 1 . . . . . 349 PHE CB . 27725 1 866 . 1 1 73 73 PHE CD1 C 13 128.495 0.30 . 3 . . . . . 349 PHE CD1 . 27725 1 867 . 1 1 73 73 PHE CD2 C 13 128.495 0.30 . 3 . . . . . 349 PHE CD2 . 27725 1 868 . 1 1 73 73 PHE CE1 C 13 130.318 0.30 . 3 . . . . . 349 PHE CE1 . 27725 1 869 . 1 1 73 73 PHE CE2 C 13 130.318 0.30 . 3 . . . . . 349 PHE CE2 . 27725 1 870 . 1 1 73 73 PHE CZ C 13 131.075 0.30 . 1 . . . . . 349 PHE CZ . 27725 1 871 . 1 1 73 73 PHE N N 15 120.127 0.30 . 1 . . . . . 349 PHE N . 27725 1 872 . 1 1 74 74 ASP H H 1 8.627 0.02 . 1 . . . . . 350 ASP HN . 27725 1 873 . 1 1 74 74 ASP HA H 1 4.693 0.02 . 1 . . . . . 350 ASP HA . 27725 1 874 . 1 1 74 74 ASP HB2 H 1 2.747 0.02 . 2 . . . . . 350 ASP HB1 . 27725 1 875 . 1 1 74 74 ASP HB3 H 1 2.798 0.02 . 2 . . . . . 350 ASP HB2 . 27725 1 876 . 1 1 74 74 ASP C C 13 175.239 0.30 . 1 . . . . . 350 ASP C . 27725 1 877 . 1 1 74 74 ASP CA C 13 52.958 0.30 . 1 . . . . . 350 ASP CA . 27725 1 878 . 1 1 74 74 ASP CB C 13 39.815 0.30 . 1 . . . . . 350 ASP CB . 27725 1 879 . 1 1 74 74 ASP N N 15 121.877 0.30 . 1 . . . . . 350 ASP N . 27725 1 880 . 1 1 75 75 PRO HA H 1 4.109 0.02 . 1 . . . . . 351 PRO HA . 27725 1 881 . 1 1 75 75 PRO HB2 H 1 2.012 0.02 . 2 . . . . . 351 PRO HB1 . 27725 1 882 . 1 1 75 75 PRO HB3 H 1 2.406 0.02 . 2 . . . . . 351 PRO HB2 . 27725 1 883 . 1 1 75 75 PRO HG2 H 1 2.051 0.02 . 2 . . . . . 351 PRO HG1 . 27725 1 884 . 1 1 75 75 PRO HG3 H 1 2.175 0.02 . 2 . . . . . 351 PRO HG2 . 27725 1 885 . 1 1 75 75 PRO HD2 H 1 3.975 0.02 . 2 . . . . . 351 PRO HD1 . 27725 1 886 . 1 1 75 75 PRO HD3 H 1 4.075 0.02 . 2 . . . . . 351 PRO HD2 . 27725 1 887 . 1 1 75 75 PRO C C 13 177.894 0.30 . 1 . . . . . 351 PRO C . 27725 1 888 . 1 1 75 75 PRO CA C 13 66.604 0.30 . 1 . . . . . 351 PRO CA . 27725 1 889 . 1 1 75 75 PRO CB C 13 32.318 0.30 . 1 . . . . . 351 PRO CB . 27725 1 890 . 1 1 75 75 PRO CG C 13 28.135 0.30 . 1 . . . . . 351 PRO CG . 27725 1 891 . 1 1 75 75 PRO CD C 13 51.168 0.30 . 1 . . . . . 351 PRO CD . 27725 1 892 . 1 1 76 76 ALA H H 1 8.625 0.02 . 1 . . . . . 352 ALA HN . 27725 1 893 . 1 1 76 76 ALA HA H 1 4.209 0.02 . 1 . . . . . 352 ALA HA . 27725 1 894 . 1 1 76 76 ALA HB1 H 1 1.414 0.02 . 1 . . . . . 352 ALA HB1 . 27725 1 895 . 1 1 76 76 ALA HB2 H 1 1.414 0.02 . 1 . . . . . 352 ALA HB1 . 27725 1 896 . 1 1 76 76 ALA HB3 H 1 1.414 0.02 . 1 . . . . . 352 ALA HB1 . 27725 1 897 . 1 1 76 76 ALA C C 13 180.953 0.30 . 1 . . . . . 352 ALA C . 27725 1 898 . 1 1 76 76 ALA CA C 13 55.198 0.30 . 1 . . . . . 352 ALA CA . 27725 1 899 . 1 1 76 76 ALA CB C 13 19.261 0.30 . 1 . . . . . 352 ALA CB . 27725 1 900 . 1 1 76 76 ALA N N 15 119.674 0.30 . 1 . . . . . 352 ALA N . 27725 1 901 . 1 1 77 77 PHE H H 1 7.727 0.02 . 1 . . . . . 353 PHE HN . 27725 1 902 . 1 1 77 77 PHE HA H 1 3.802 0.02 . 1 . . . . . 353 PHE HA . 27725 1 903 . 1 1 77 77 PHE HB2 H 1 1.895 0.02 . 2 . . . . . 353 PHE HB1 . 27725 1 904 . 1 1 77 77 PHE HB3 H 1 1.895 0.02 . 2 . . . . . 353 PHE HB2 . 27725 1 905 . 1 1 77 77 PHE HD1 H 1 6.782 0.02 . 3 . . . . . 353 PHE HD1 . 27725 1 906 . 1 1 77 77 PHE HD2 H 1 6.782 0.02 . 3 . . . . . 353 PHE HD2 . 27725 1 907 . 1 1 77 77 PHE HE1 H 1 6.852 0.02 . 3 . . . . . 353 PHE HE1 . 27725 1 908 . 1 1 77 77 PHE HE2 H 1 6.852 0.02 . 3 . . . . . 353 PHE HE2 . 27725 1 909 . 1 1 77 77 PHE HZ H 1 6.7 0.02 . 1 . . . . . 353 PHE HZ . 27725 1 910 . 1 1 77 77 PHE C C 13 176.696 0.30 . 1 . . . . . 353 PHE C . 27725 1 911 . 1 1 77 77 PHE CA C 13 60.382 0.30 . 1 . . . . . 353 PHE CA . 27725 1 912 . 1 1 77 77 PHE CB C 13 40.735 0.30 . 1 . . . . . 353 PHE CB . 27725 1 913 . 1 1 77 77 PHE CD1 C 13 129.492 0.30 . 3 . . . . . 353 PHE CD1 . 27725 1 914 . 1 1 77 77 PHE CD2 C 13 129.492 0.30 . 3 . . . . . 353 PHE CD2 . 27725 1 915 . 1 1 77 77 PHE CE1 C 13 130.868 0.30 . 3 . . . . . 353 PHE CE1 . 27725 1 916 . 1 1 77 77 PHE CE2 C 13 130.868 0.30 . 3 . . . . . 353 PHE CE2 . 27725 1 917 . 1 1 77 77 PHE CZ C 13 130.799 0.30 . 1 . . . . . 353 PHE CZ . 27725 1 918 . 1 1 77 77 PHE N N 15 121.2 0.30 . 1 . . . . . 353 PHE N . 27725 1 919 . 1 1 78 78 ARG H H 1 8.92 0.02 . 1 . . . . . 354 ARG HN . 27725 1 920 . 1 1 78 78 ARG HA H 1 3.899 0.02 . 1 . . . . . 354 ARG HA . 27725 1 921 . 1 1 78 78 ARG HB2 H 1 2.015 0.02 . 2 . . . . . 354 ARG HB1 . 27725 1 922 . 1 1 78 78 ARG HB3 H 1 2.085 0.02 . 2 . . . . . 354 ARG HB2 . 27725 1 923 . 1 1 78 78 ARG HG2 H 1 1.619 0.02 . 2 . . . . . 354 ARG HG1 . 27725 1 924 . 1 1 78 78 ARG HG3 H 1 1.771 0.02 . 2 . . . . . 354 ARG HG2 . 27725 1 925 . 1 1 78 78 ARG HD2 H 1 3.12 0.02 . 2 . . . . . 354 ARG HD1 . 27725 1 926 . 1 1 78 78 ARG HD3 H 1 3.23 0.02 . 2 . . . . . 354 ARG HD2 . 27725 1 927 . 1 1 78 78 ARG C C 13 178.616 0.30 . 1 . . . . . 354 ARG C . 27725 1 928 . 1 1 78 78 ARG CA C 13 60.181 0.30 . 1 . . . . . 354 ARG CA . 27725 1 929 . 1 1 78 78 ARG CB C 13 30.509 0.30 . 1 . . . . . 354 ARG CB . 27725 1 930 . 1 1 78 78 ARG CG C 13 26.823 0.30 . 1 . . . . . 354 ARG CG . 27725 1 931 . 1 1 78 78 ARG CD C 13 43.566 0.30 . 1 . . . . . 354 ARG CD . 27725 1 932 . 1 1 78 78 ARG N N 15 118.541 0.30 . 1 . . . . . 354 ARG N . 27725 1 933 . 1 1 79 79 ASP H H 1 8.521 0.02 . 1 . . . . . 355 ASP HN . 27725 1 934 . 1 1 79 79 ASP HA H 1 4.339 0.02 . 1 . . . . . 355 ASP HA . 27725 1 935 . 1 1 79 79 ASP HB2 H 1 2.596 0.02 . 2 . . . . . 355 ASP HB1 . 27725 1 936 . 1 1 79 79 ASP HB3 H 1 2.767 0.02 . 2 . . . . . 355 ASP HB2 . 27725 1 937 . 1 1 79 79 ASP C C 13 178.501 0.30 . 1 . . . . . 355 ASP C . 27725 1 938 . 1 1 79 79 ASP CA C 13 57.396 0.30 . 1 . . . . . 355 ASP CA . 27725 1 939 . 1 1 79 79 ASP CB C 13 40.813 0.30 . 1 . . . . . 355 ASP CB . 27725 1 940 . 1 1 79 79 ASP N N 15 118.722 0.30 . 1 . . . . . 355 ASP N . 27725 1 941 . 1 1 80 80 ALA H H 1 7.347 0.02 . 1 . . . . . 356 ALA HN . 27725 1 942 . 1 1 80 80 ALA HA H 1 3.999 0.02 . 1 . . . . . 356 ALA HA . 27725 1 943 . 1 1 80 80 ALA HB1 H 1 1.314 0.02 . 1 . . . . . 356 ALA HB1 . 27725 1 944 . 1 1 80 80 ALA HB2 H 1 1.314 0.02 . 1 . . . . . 356 ALA HB1 . 27725 1 945 . 1 1 80 80 ALA HB3 H 1 1.314 0.02 . 1 . . . . . 356 ALA HB1 . 27725 1 946 . 1 1 80 80 ALA C C 13 180.49 0.30 . 1 . . . . . 356 ALA C . 27725 1 947 . 1 1 80 80 ALA CA C 13 54.91 0.30 . 1 . . . . . 356 ALA CA . 27725 1 948 . 1 1 80 80 ALA CB C 13 19.183 0.30 . 1 . . . . . 356 ALA CB . 27725 1 949 . 1 1 80 80 ALA N N 15 120.687 0.30 . 1 . . . . . 356 ALA N . 27725 1 950 . 1 1 81 81 LEU H H 1 7.954 0.02 . 1 . . . . . 357 LEU HN . 27725 1 951 . 1 1 81 81 LEU HA H 1 3.748 0.02 . 1 . . . . . 357 LEU HA . 27725 1 952 . 1 1 81 81 LEU HB2 H 1 1.595 0.02 . 2 . . . . . 357 LEU HB1 . 27725 1 953 . 1 1 81 81 LEU HB3 H 1 1.755 0.02 . 2 . . . . . 357 LEU HB2 . 27725 1 954 . 1 1 81 81 LEU HG H 1 0.759 0.02 . 1 . . . . . 357 LEU HG . 27725 1 955 . 1 1 81 81 LEU HD11 H 1 0.859 0.02 . 2 . . . . . 357 LEU HD11 . 27725 1 956 . 1 1 81 81 LEU HD12 H 1 0.859 0.02 . 2 . . . . . 357 LEU HD11 . 27725 1 957 . 1 1 81 81 LEU HD13 H 1 0.859 0.02 . 2 . . . . . 357 LEU HD11 . 27725 1 958 . 1 1 81 81 LEU HD21 H 1 0.928 0.02 . 2 . . . . . 357 LEU HD21 . 27725 1 959 . 1 1 81 81 LEU HD22 H 1 0.928 0.02 . 2 . . . . . 357 LEU HD21 . 27725 1 960 . 1 1 81 81 LEU HD23 H 1 0.928 0.02 . 2 . . . . . 357 LEU HD21 . 27725 1 961 . 1 1 81 81 LEU C C 13 179 0.30 . 1 . . . . . 357 LEU C . 27725 1 962 . 1 1 81 81 LEU CA C 13 57.899 0.30 . 1 . . . . . 357 LEU CA . 27725 1 963 . 1 1 81 81 LEU CB C 13 42.623 0.30 . 1 . . . . . 357 LEU CB . 27725 1 964 . 1 1 81 81 LEU CG C 13 25.875 0.30 . 1 . . . . . 357 LEU CG . 27725 1 965 . 1 1 81 81 LEU CD1 C 13 24.329 0.30 . 1 . . . . . 357 LEU CD1 . 27725 1 966 . 1 1 81 81 LEU CD2 C 13 23.385 0.30 . 1 . . . . . 357 LEU CD2 . 27725 1 967 . 1 1 81 81 LEU N N 15 116.978 0.30 . 1 . . . . . 357 LEU N . 27725 1 968 . 1 1 82 82 THR H H 1 7.86 0.02 . 1 . . . . . 358 THR HN . 27725 1 969 . 1 1 82 82 THR HA H 1 4.126 0.02 . 1 . . . . . 358 THR HA . 27725 1 970 . 1 1 82 82 THR HB H 1 4.394 0.02 . 1 . . . . . 358 THR HB . 27725 1 971 . 1 1 82 82 THR HG21 H 1 1.232 0.02 . 1 . . . . . 358 THR HG21 . 27725 1 972 . 1 1 82 82 THR HG22 H 1 1.232 0.02 . 1 . . . . . 358 THR HG21 . 27725 1 973 . 1 1 82 82 THR HG23 H 1 1.232 0.02 . 1 . . . . . 358 THR HG21 . 27725 1 974 . 1 1 82 82 THR C C 13 175.443 0.30 . 1 . . . . . 358 THR C . 27725 1 975 . 1 1 82 82 THR CA C 13 64.497 0.30 . 1 . . . . . 358 THR CA . 27725 1 976 . 1 1 82 82 THR CB C 13 69.445 0.30 . 1 . . . . . 358 THR CB . 27725 1 977 . 1 1 82 82 THR CG2 C 13 21.602 0.30 . 1 . . . . . 358 THR CG2 . 27725 1 978 . 1 1 82 82 THR N N 15 107.778 0.30 . 1 . . . . . 358 THR N . 27725 1 979 . 1 1 83 83 ARG H H 1 7.369 0.02 . 1 . . . . . 359 ARG HN . 27725 1 980 . 1 1 83 83 ARG HA H 1 4.4 0.02 . 1 . . . . . 359 ARG HA . 27725 1 981 . 1 1 83 83 ARG HB2 H 1 1.655 0.02 . 2 . . . . . 359 ARG HB1 . 27725 1 982 . 1 1 83 83 ARG HB3 H 1 2.045 0.02 . 2 . . . . . 359 ARG HB2 . 27725 1 983 . 1 1 83 83 ARG HG2 H 1 1.622 0.02 . 2 . . . . . 359 ARG HG1 . 27725 1 984 . 1 1 83 83 ARG HG3 H 1 1.754 0.02 . 2 . . . . . 359 ARG HG2 . 27725 1 985 . 1 1 83 83 ARG HD2 H 1 3.123 0.02 . 2 . . . . . 359 ARG HD1 . 27725 1 986 . 1 1 83 83 ARG HD3 H 1 3.209 0.02 . 2 . . . . . 359 ARG HD2 . 27725 1 987 . 1 1 83 83 ARG C C 13 176.187 0.30 . 1 . . . . . 359 ARG C . 27725 1 988 . 1 1 83 83 ARG CA C 13 55.951 0.30 . 1 . . . . . 359 ARG CA . 27725 1 989 . 1 1 83 83 ARG CB C 13 30.981 0.30 . 1 . . . . . 359 ARG CB . 27725 1 990 . 1 1 83 83 ARG CG C 13 27.37 0.30 . 1 . . . . . 359 ARG CG . 27725 1 991 . 1 1 83 83 ARG CD C 13 43.578 0.30 . 1 . . . . . 359 ARG CD . 27725 1 992 . 1 1 83 83 ARG N N 15 108.758 0.30 . 1 . . . . . 359 ARG N . 27725 1 993 . 1 1 84 84 LEU H H 1 7.209 0.02 . 1 . . . . . 360 LEU HN . 27725 1 994 . 1 1 84 84 LEU HA H 1 4.38 0.02 . 1 . . . . . 360 LEU HA . 27725 1 995 . 1 1 84 84 LEU HB2 H 1 1.795 0.02 . 2 . . . . . 360 LEU HB1 . 27725 1 996 . 1 1 84 84 LEU HB3 H 1 1.454 0.02 . 2 . . . . . 360 LEU HB2 . 27725 1 997 . 1 1 84 84 LEU HG H 1 1.9 0.02 . 1 . . . . . 360 LEU HG . 27725 1 998 . 1 1 84 84 LEU HD11 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD11 . 27725 1 999 . 1 1 84 84 LEU HD12 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD11 . 27725 1 1000 . 1 1 84 84 LEU HD13 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD11 . 27725 1 1001 . 1 1 84 84 LEU HD21 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD21 . 27725 1 1002 . 1 1 84 84 LEU HD22 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD21 . 27725 1 1003 . 1 1 84 84 LEU HD23 H 1 0.543 0.02 . 2 . . . . . 360 LEU HD21 . 27725 1 1004 . 1 1 84 84 LEU C C 13 175.882 0.30 . 1 . . . . . 360 LEU C . 27725 1 1005 . 1 1 84 84 LEU CA C 13 54.319 0.30 . 1 . . . . . 360 LEU CA . 27725 1 1006 . 1 1 84 84 LEU CB C 13 43.566 0.30 . 1 . . . . . 360 LEU CB . 27725 1 1007 . 1 1 84 84 LEU CG C 13 25.7 0.30 . 1 . . . . . 360 LEU CG . 27725 1 1008 . 1 1 84 84 LEU CD1 C 13 22.316 0.30 . 1 . . . . . 360 LEU CD1 . 27725 1 1009 . 1 1 84 84 LEU CD2 C 13 22.316 0.30 . 1 . . . . . 360 LEU CD2 . 27725 1 1010 . 1 1 84 84 LEU N N 15 120.256 0.30 . 1 . . . . . 360 LEU N . 27725 1 1011 . 1 1 85 85 ASN H H 1 8.116 0.02 . 1 . . . . . 361 ASN HN . 27725 1 1012 . 1 1 85 85 ASN HA H 1 4.836 0.02 . 1 . . . . . 361 ASN HA . 27725 1 1013 . 1 1 85 85 ASN HB2 H 1 2.476 0.02 . 2 . . . . . 361 ASN HB1 . 27725 1 1014 . 1 1 85 85 ASN HB3 H 1 2.767 0.02 . 2 . . . . . 361 ASN HB2 . 27725 1 1015 . 1 1 85 85 ASN HD21 H 1 6.988 0.02 . 2 . . . . . 361 ASN HD21 . 27725 1 1016 . 1 1 85 85 ASN HD22 H 1 7.473 0.02 . 2 . . . . . 361 ASN HD22 . 27725 1 1017 . 1 1 85 85 ASN C C 13 175.137 0.30 . 1 . . . . . 361 ASN C . 27725 1 1018 . 1 1 85 85 ASN CA C 13 51.266 0.30 . 1 . . . . . 361 ASN CA . 27725 1 1019 . 1 1 85 85 ASN CB C 13 40.577 0.30 . 1 . . . . . 361 ASN CB . 27725 1 1020 . 1 1 85 85 ASN N N 15 117.538 0.30 . 1 . . . . . 361 ASN N . 27725 1 1021 . 1 1 85 85 ASN ND2 N 15 112.959 0.30 . 1 . . . . . 361 ASN ND2 . 27725 1 1022 . 1 1 86 86 LYS H H 1 8.525 0.02 . 1 . . . . . 362 LYS HN . 27725 1 1023 . 1 1 86 86 LYS HA H 1 3.598 0.02 . 1 . . . . . 362 LYS HA . 27725 1 1024 . 1 1 86 86 LYS HB2 H 1 1.725 0.02 . 2 . . . . . 362 LYS HB1 . 27725 1 1025 . 1 1 86 86 LYS HB3 H 1 1.885 0.02 . 2 . . . . . 362 LYS HB2 . 27725 1 1026 . 1 1 86 86 LYS HG2 H 1 1.205 0.02 . 2 . . . . . 362 LYS HG1 . 27725 1 1027 . 1 1 86 86 LYS HG3 H 1 1.498 0.02 . 2 . . . . . 362 LYS HG2 . 27725 1 1028 . 1 1 86 86 LYS HD2 H 1 1.856 0.02 . 2 . . . . . 362 LYS HD1 . 27725 1 1029 . 1 1 86 86 LYS HD3 H 1 1.856 0.02 . 2 . . . . . 362 LYS HD2 . 27725 1 1030 . 1 1 86 86 LYS HE2 H 1 3.095 0.02 . 2 . . . . . 362 LYS HE1 . 27725 1 1031 . 1 1 86 86 LYS HE3 H 1 3.179 0.02 . 2 . . . . . 362 LYS HE2 . 27725 1 1032 . 1 1 86 86 LYS C C 13 177.882 0.30 . 1 . . . . . 362 LYS C . 27725 1 1033 . 1 1 86 86 LYS CA C 13 59.335 0.30 . 1 . . . . . 362 LYS CA . 27725 1 1034 . 1 1 86 86 LYS CB C 13 32.161 0.30 . 1 . . . . . 362 LYS CB . 27725 1 1035 . 1 1 86 86 LYS CG C 13 24.928 0.30 . 1 . . . . . 362 LYS CG . 27725 1 1036 . 1 1 86 86 LYS CD C 13 29.695 0.30 . 1 . . . . . 362 LYS CD . 27725 1 1037 . 1 1 86 86 LYS CE C 13 42.038 0.30 . 1 . . . . . 362 LYS CE . 27725 1 1038 . 1 1 86 86 LYS N N 15 120.005 0.30 . 1 . . . . . 362 LYS N . 27725 1 1039 . 1 1 87 87 GLY H H 1 9.189 0.02 . 1 . . . . . 363 GLY HN . 27725 1 1040 . 1 1 87 87 GLY HA2 H 1 3.899 0.02 . 2 . . . . . 363 GLY HA1 . 27725 1 1041 . 1 1 87 87 GLY HA3 H 1 4.179 0.02 . 2 . . . . . 363 GLY HA2 . 27725 1 1042 . 1 1 87 87 GLY C C 13 173.961 0.30 . 1 . . . . . 363 GLY C . 27725 1 1043 . 1 1 87 87 GLY CA C 13 45.326 0.30 . 1 . . . . . 363 GLY CA . 27725 1 1044 . 1 1 87 87 GLY N N 15 113.984 0.30 . 1 . . . . . 363 GLY N . 27725 1 1045 . 1 1 88 88 GLN H H 1 8.062 0.02 . 1 . . . . . 364 GLN HN . 27725 1 1046 . 1 1 88 88 GLN HA H 1 4.572 0.02 . 1 . . . . . 364 GLN HA . 27725 1 1047 . 1 1 88 88 GLN HB2 H 1 2.068 0.02 . 2 . . . . . 364 GLN HB1 . 27725 1 1048 . 1 1 88 88 GLN HB3 H 1 2.195 0.02 . 2 . . . . . 364 GLN HB2 . 27725 1 1049 . 1 1 88 88 GLN HG2 H 1 2.324 0.02 . 2 . . . . . 364 GLN HG1 . 27725 1 1050 . 1 1 88 88 GLN HG3 H 1 2.399 0.02 . 2 . . . . . 364 GLN HG2 . 27725 1 1051 . 1 1 88 88 GLN HE21 H 1 6.888 0.02 . 2 . . . . . 364 GLN HE21 . 27725 1 1052 . 1 1 88 88 GLN HE22 H 1 7.605 0.02 . 2 . . . . . 364 GLN HE22 . 27725 1 1053 . 1 1 88 88 GLN C C 13 173.638 0.30 . 1 . . . . . 364 GLN C . 27725 1 1054 . 1 1 88 88 GLN CA C 13 55.084 0.30 . 1 . . . . . 364 GLN CA . 27725 1 1055 . 1 1 88 88 GLN CB C 13 31.42 0.30 . 1 . . . . . 364 GLN CB . 27725 1 1056 . 1 1 88 88 GLN CG C 13 33.878 0.30 . 1 . . . . . 364 GLN CG . 27725 1 1057 . 1 1 88 88 GLN N N 15 120.489 0.30 . 1 . . . . . 364 GLN N . 27725 1 1058 . 1 1 88 88 GLN NE2 N 15 111.106 0.30 . 1 . . . . . 364 GLN NE2 . 27725 1 1059 . 1 1 89 89 MET H H 1 8.37 0.02 . 1 . . . . . 365 MET HN . 27725 1 1060 . 1 1 89 89 MET HA H 1 5.421 0.02 . 1 . . . . . 365 MET HA . 27725 1 1061 . 1 1 89 89 MET HB2 H 1 2.085 0.02 . 2 . . . . . 365 MET HB1 . 27725 1 1062 . 1 1 89 89 MET HB3 H 1 2.085 0.02 . 2 . . . . . 365 MET HB2 . 27725 1 1063 . 1 1 89 89 MET HG2 H 1 2.536 0.02 . 2 . . . . . 365 MET HG1 . 27725 1 1064 . 1 1 89 89 MET HG3 H 1 2.91 0.02 . 2 . . . . . 365 MET HG2 . 27725 1 1065 . 1 1 89 89 MET HE1 H 1 0.85 0.02 . 1 . . . . . 365 MET HE1 . 27725 1 1066 . 1 1 89 89 MET HE2 H 1 0.85 0.02 . 1 . . . . . 365 MET HE1 . 27725 1 1067 . 1 1 89 89 MET HE3 H 1 0.85 0.02 . 1 . . . . . 365 MET HE1 . 27725 1 1068 . 1 1 89 89 MET C C 13 176.391 0.30 . 1 . . . . . 365 MET C . 27725 1 1069 . 1 1 89 89 MET CA C 13 53.69 0.30 . 1 . . . . . 365 MET CA . 27725 1 1070 . 1 1 89 89 MET CB C 13 36.251 0.30 . 1 . . . . . 365 MET CB . 27725 1 1071 . 1 1 89 89 MET CG C 13 30.971 0.30 . 1 . . . . . 365 MET CG . 27725 1 1072 . 1 1 89 89 MET CE C 13 18.849 0.30 . 1 . . . . . 365 MET CE . 27725 1 1073 . 1 1 89 89 MET N N 15 121.67 0.30 . 1 . . . . . 365 MET N . 27725 1 1074 . 1 1 90 90 SER H H 1 9.59 0.02 . 1 . . . . . 366 SER HN . 27725 1 1075 . 1 1 90 90 SER HA H 1 4.265 0.02 . 1 . . . . . 366 SER HA . 27725 1 1076 . 1 1 90 90 SER HB2 H 1 3.662 0.02 . 2 . . . . . 366 SER HB1 . 27725 1 1077 . 1 1 90 90 SER HB3 H 1 3.862 0.02 . 2 . . . . . 366 SER HB2 . 27725 1 1078 . 1 1 90 90 SER C C 13 174.435 0.30 . 1 . . . . . 366 SER C . 27725 1 1079 . 1 1 90 90 SER CA C 13 58.969 0.30 . 1 . . . . . 366 SER CA . 27725 1 1080 . 1 1 90 90 SER CB C 13 65.669 0.30 . 1 . . . . . 366 SER CB . 27725 1 1081 . 1 1 90 90 SER N N 15 122.41 0.30 . 1 . . . . . 366 SER N . 27725 1 1082 . 1 1 91 91 ALA H H 1 7.833 0.02 . 1 . . . . . 367 ALA HN . 27725 1 1083 . 1 1 91 91 ALA HA H 1 4.624 0.02 . 1 . . . . . 367 ALA HA . 27725 1 1084 . 1 1 91 91 ALA HB1 H 1 1.372 0.02 . 1 . . . . . 367 ALA HB1 . 27725 1 1085 . 1 1 91 91 ALA HB2 H 1 1.372 0.02 . 1 . . . . . 367 ALA HB1 . 27725 1 1086 . 1 1 91 91 ALA HB3 H 1 1.372 0.02 . 1 . . . . . 367 ALA HB1 . 27725 1 1087 . 1 1 91 91 ALA C C 13 176.063 0.30 . 1 . . . . . 367 ALA C . 27725 1 1088 . 1 1 91 91 ALA CA C 13 51.656 0.30 . 1 . . . . . 367 ALA CA . 27725 1 1089 . 1 1 91 91 ALA CB C 13 19.006 0.30 . 1 . . . . . 367 ALA CB . 27725 1 1090 . 1 1 91 91 ALA N N 15 120.256 0.30 . 1 . . . . . 367 ALA N . 27725 1 1091 . 1 1 92 92 PRO HA H 1 4.386 0.02 . 1 . . . . . 368 PRO HA . 27725 1 1092 . 1 1 92 92 PRO HB2 H 1 1.925 0.02 . 2 . . . . . 368 PRO HB1 . 27725 1 1093 . 1 1 92 92 PRO HB3 H 1 2.312 0.02 . 2 . . . . . 368 PRO HB2 . 27725 1 1094 . 1 1 92 92 PRO HG2 H 1 2.009 0.02 . 2 . . . . . 368 PRO HG1 . 27725 1 1095 . 1 1 92 92 PRO HG3 H 1 2.063 0.02 . 2 . . . . . 368 PRO HG2 . 27725 1 1096 . 1 1 92 92 PRO HD2 H 1 3.657 0.02 . 2 . . . . . 368 PRO HD1 . 27725 1 1097 . 1 1 92 92 PRO HD3 H 1 3.857 0.02 . 2 . . . . . 368 PRO HD2 . 27725 1 1098 . 1 1 92 92 PRO C C 13 177.172 0.30 . 1 . . . . . 368 PRO C . 27725 1 1099 . 1 1 92 92 PRO CA C 13 63.201 0.30 . 1 . . . . . 368 PRO CA . 27725 1 1100 . 1 1 92 92 PRO CB C 13 31.925 0.30 . 1 . . . . . 368 PRO CB . 27725 1 1101 . 1 1 92 92 PRO CG C 13 27.549 0.30 . 1 . . . . . 368 PRO CG . 27725 1 1102 . 1 1 92 92 PRO CD C 13 50.638 0.30 . 1 . . . . . 368 PRO CD . 27725 1 1103 . 1 1 93 93 VAL H H 1 9.696 0.02 . 1 . . . . . 369 VAL HN . 27725 1 1104 . 1 1 93 93 VAL HA H 1 4.394 0.02 . 1 . . . . . 369 VAL HA . 27725 1 1105 . 1 1 93 93 VAL HB H 1 1.873 0.02 . 1 . . . . . 369 VAL HB . 27725 1 1106 . 1 1 93 93 VAL HG11 H 1 0.706 0.02 . 2 . . . . . 369 VAL HG11 . 27725 1 1107 . 1 1 93 93 VAL HG12 H 1 0.706 0.02 . 2 . . . . . 369 VAL HG11 . 27725 1 1108 . 1 1 93 93 VAL HG13 H 1 0.706 0.02 . 2 . . . . . 369 VAL HG11 . 27725 1 1109 . 1 1 93 93 VAL HG21 H 1 1.01 0.02 . 2 . . . . . 369 VAL HG21 . 27725 1 1110 . 1 1 93 93 VAL HG22 H 1 1.01 0.02 . 2 . . . . . 369 VAL HG21 . 27725 1 1111 . 1 1 93 93 VAL HG23 H 1 1.01 0.02 . 2 . . . . . 369 VAL HG21 . 27725 1 1112 . 1 1 93 93 VAL C C 13 174.426 0.30 . 1 . . . . . 369 VAL C . 27725 1 1113 . 1 1 93 93 VAL CA C 13 61.2 0.30 . 1 . . . . . 369 VAL CA . 27725 1 1114 . 1 1 93 93 VAL CB C 13 35.858 0.30 . 1 . . . . . 369 VAL CB . 27725 1 1115 . 1 1 93 93 VAL CG1 C 13 20.366 0.30 . 1 . . . . . 369 VAL CG1 . 27725 1 1116 . 1 1 93 93 VAL CG2 C 13 20.861 0.30 . 1 . . . . . 369 VAL CG2 . 27725 1 1117 . 1 1 93 93 VAL N N 15 127.036 0.30 . 1 . . . . . 369 VAL N . 27725 1 1118 . 1 1 94 94 HIS H H 1 8.957 0.02 . 1 . . . . . 370 HIS HN . 27725 1 1119 . 1 1 94 94 HIS HA H 1 5.033 0.02 . 1 . . . . . 370 HIS HA . 27725 1 1120 . 1 1 94 94 HIS HB2 H 1 1.812 0.02 . 2 . . . . . 370 HIS HB1 . 27725 1 1121 . 1 1 94 94 HIS HB3 H 1 1.95 0.02 . 2 . . . . . 370 HIS HB2 . 27725 1 1122 . 1 1 94 94 HIS HD2 H 1 6.78 0.02 . 1 . . . . . 370 HIS HD2 . 27725 1 1123 . 1 1 94 94 HIS HE1 H 1 7.751 0.02 . 1 . . . . . 370 HIS HE1 . 27725 1 1124 . 1 1 94 94 HIS C C 13 173.68 0.30 . 1 . . . . . 370 HIS C . 27725 1 1125 . 1 1 94 94 HIS CA C 13 53.355 0.30 . 1 . . . . . 370 HIS CA . 27725 1 1126 . 1 1 94 94 HIS CB C 13 33.772 0.30 . 1 . . . . . 370 HIS CB . 27725 1 1127 . 1 1 94 94 HIS CD2 C 13 117.445 0.30 . 1 . . . . . 370 HIS CD2 . 27725 1 1128 . 1 1 94 94 HIS CE1 C 13 136.995 0.30 . 1 . . . . . 370 HIS CE1 . 27725 1 1129 . 1 1 94 94 HIS N N 15 128.885 0.30 . 1 . . . . . 370 HIS N . 27725 1 1130 . 1 1 95 95 SER H H 1 9.592 0.02 . 1 . . . . . 371 SER HN . 27725 1 1131 . 1 1 95 95 SER HA H 1 5.392 0.02 . 1 . . . . . 371 SER HA . 27725 1 1132 . 1 1 95 95 SER HB2 H 1 3.675 0.02 . 2 . . . . . 371 SER HB1 . 27725 1 1133 . 1 1 95 95 SER HB3 H 1 3.854 0.02 . 2 . . . . . 371 SER HB2 . 27725 1 1134 . 1 1 95 95 SER C C 13 174.8 0.30 . 1 . . . . . 371 SER C . 27725 1 1135 . 1 1 95 95 SER CA C 13 56.954 0.30 . 1 . . . . . 371 SER CA . 27725 1 1136 . 1 1 95 95 SER CB C 13 66.377 0.30 . 1 . . . . . 371 SER CB . 27725 1 1137 . 1 1 95 95 SER N N 15 126.383 0.30 . 1 . . . . . 371 SER N . 27725 1 1138 . 1 1 96 96 SER H H 1 8.479 0.02 . 1 . . . . . 372 SER HN . 27725 1 1139 . 1 1 96 96 SER HA H 1 4.07 0.02 . 1 . . . . . 372 SER HA . 27725 1 1140 . 1 1 96 96 SER HB2 H 1 4.14 0.02 . 2 . . . . . 372 SER HB1 . 27725 1 1141 . 1 1 96 96 SER HB3 H 1 4.14 0.02 . 2 . . . . . 372 SER HB2 . 27725 1 1142 . 1 1 96 96 SER C C 13 175.031 0.30 . 1 . . . . . 372 SER C . 27725 1 1143 . 1 1 96 96 SER CA C 13 61.146 0.30 . 1 . . . . . 372 SER CA . 27725 1 1144 . 1 1 96 96 SER CB C 13 62.916 0.30 . 1 . . . . . 372 SER CB . 27725 1 1145 . 1 1 96 96 SER N N 15 113.428 0.30 . 1 . . . . . 372 SER N . 27725 1 1146 . 1 1 97 97 PHE H H 1 8.989 0.02 . 1 . . . . . 373 PHE HN . 27725 1 1147 . 1 1 97 97 PHE HA H 1 4.582 0.02 . 1 . . . . . 373 PHE HA . 27725 1 1148 . 1 1 97 97 PHE HB2 H 1 2.877 0.02 . 2 . . . . . 373 PHE HB1 . 27725 1 1149 . 1 1 97 97 PHE HB3 H 1 3.167 0.02 . 2 . . . . . 373 PHE HB2 . 27725 1 1150 . 1 1 97 97 PHE HD1 H 1 7.083 0.02 . 3 . . . . . 373 PHE HD1 . 27725 1 1151 . 1 1 97 97 PHE HD2 H 1 7.083 0.02 . 3 . . . . . 373 PHE HD2 . 27725 1 1152 . 1 1 97 97 PHE HE1 H 1 7.3 0.02 . 3 . . . . . 373 PHE HE1 . 27725 1 1153 . 1 1 97 97 PHE HE2 H 1 7.3 0.02 . 3 . . . . . 373 PHE HE2 . 27725 1 1154 . 1 1 97 97 PHE HZ H 1 7.113 0.02 . 1 . . . . . 373 PHE HZ . 27725 1 1155 . 1 1 97 97 PHE C C 13 175.51 0.30 . 1 . . . . . 373 PHE C . 27725 1 1156 . 1 1 97 97 PHE CA C 13 58.424 0.30 . 1 . . . . . 373 PHE CA . 27725 1 1157 . 1 1 97 97 PHE CB C 13 40.499 0.30 . 1 . . . . . 373 PHE CB . 27725 1 1158 . 1 1 97 97 PHE CD1 C 13 132.452 0.30 . 3 . . . . . 373 PHE CD1 . 27725 1 1159 . 1 1 97 97 PHE CD2 C 13 132.452 0.30 . 3 . . . . . 373 PHE CD2 . 27725 1 1160 . 1 1 97 97 PHE CE1 C 13 130.22 0.30 . 3 . . . . . 373 PHE CE1 . 27725 1 1161 . 1 1 97 97 PHE CE2 C 13 130.22 0.30 . 3 . . . . . 373 PHE CE2 . 27725 1 1162 . 1 1 97 97 PHE CZ C 13 129.432 0.30 . 1 . . . . . 373 PHE CZ . 27725 1 1163 . 1 1 97 97 PHE N N 15 119.225 0.30 . 1 . . . . . 373 PHE N . 27725 1 1164 . 1 1 98 98 GLY H H 1 7.342 0.02 . 1 . . . . . 374 GLY HN . 27725 1 1165 . 1 1 98 98 GLY HA2 H 1 3.935 0.02 . 2 . . . . . 374 GLY HA1 . 27725 1 1166 . 1 1 98 98 GLY HA3 H 1 4.019 0.02 . 2 . . . . . 374 GLY HA2 . 27725 1 1167 . 1 1 98 98 GLY C C 13 170.055 0.30 . 1 . . . . . 374 GLY C . 27725 1 1168 . 1 1 98 98 GLY CA C 13 45.279 0.30 . 1 . . . . . 374 GLY CA . 27725 1 1169 . 1 1 98 98 GLY N N 15 106.775 0.30 . 1 . . . . . 374 GLY N . 27725 1 1170 . 1 1 99 99 TRP H H 1 9.08 0.02 . 1 . . . . . 375 TRP HN . 27725 1 1171 . 1 1 99 99 TRP HA H 1 5.532 0.02 . 1 . . . . . 375 TRP HA . 27725 1 1172 . 1 1 99 99 TRP HB2 H 1 2.707 0.02 . 2 . . . . . 375 TRP HB1 . 27725 1 1173 . 1 1 99 99 TRP HB3 H 1 3.017 0.02 . 2 . . . . . 375 TRP HB2 . 27725 1 1174 . 1 1 99 99 TRP HD1 H 1 6.741 0.02 . 1 . . . . . 375 TRP HD1 . 27725 1 1175 . 1 1 99 99 TRP HE1 H 1 10.918 0.02 . 1 . . . . . 375 TRP HE1 . 27725 1 1176 . 1 1 99 99 TRP HE3 H 1 6.245 0.02 . 1 . . . . . 375 TRP HE3 . 27725 1 1177 . 1 1 99 99 TRP HZ2 H 1 7.059 0.02 . 4 . . . . . 375 TRP HZ2 . 27725 1 1178 . 1 1 99 99 TRP HZ3 H 1 6.902 0.02 . 4 . . . . . 375 TRP HZ3 . 27725 1 1179 . 1 1 99 99 TRP HH2 H 1 6.734 0.02 . 1 . . . . . 375 TRP HH2 . 27725 1 1180 . 1 1 99 99 TRP C C 13 175.332 0.30 . 1 . . . . . 375 TRP C . 27725 1 1181 . 1 1 99 99 TRP CA C 13 55.939 0.30 . 1 . . . . . 375 TRP CA . 27725 1 1182 . 1 1 99 99 TRP CB C 13 31.768 0.30 . 1 . . . . . 375 TRP CB . 27725 1 1183 . 1 1 99 99 TRP CD1 C 13 124.879 0.30 . 1 . . . . . 375 TRP CD1 . 27725 1 1184 . 1 1 99 99 TRP CE3 C 13 117.727 0.30 . 1 . . . . . 375 TRP CE3 . 27725 1 1185 . 1 1 99 99 TRP CZ2 C 13 114.623 0.30 . 1 . . . . . 375 TRP CZ2 . 27725 1 1186 . 1 1 99 99 TRP CZ3 C 13 121.438 0.30 . 1 . . . . . 375 TRP CZ3 . 27725 1 1187 . 1 1 99 99 TRP CH2 C 13 121.231 0.30 . 1 . . . . . 375 TRP CH2 . 27725 1 1188 . 1 1 99 99 TRP N N 15 122.991 0.30 . 1 . . . . . 375 TRP N . 27725 1 1189 . 1 1 99 99 TRP NE1 N 15 131.672 0.30 . 1 . . . . . 375 TRP NE1 . 27725 1 1190 . 1 1 100 100 HIS H H 1 10.023 0.02 . 1 . . . . . 376 HIS HN . 27725 1 1191 . 1 1 100 100 HIS HA H 1 5.441 0.02 . 1 . . . . . 376 HIS HA . 27725 1 1192 . 1 1 100 100 HIS HB2 H 1 2.111 0.02 . 2 . . . . . 376 HIS HB1 . 27725 1 1193 . 1 1 100 100 HIS HB3 H 1 2.085 0.02 . 2 . . . . . 376 HIS HB2 . 27725 1 1194 . 1 1 100 100 HIS HD2 H 1 6.902 0.02 . 1 . . . . . 376 HIS HD2 . 27725 1 1195 . 1 1 100 100 HIS HE1 H 1 7.292 0.02 . 1 . . . . . 376 HIS HE1 . 27725 1 1196 . 1 1 100 100 HIS C C 13 177.591 0.30 . 1 . . . . . 376 HIS C . 27725 1 1197 . 1 1 100 100 HIS CA C 13 54.024 0.30 . 1 . . . . . 376 HIS CA . 27725 1 1198 . 1 1 100 100 HIS CB C 13 36.152 0.30 . 1 . . . . . 376 HIS CB . 27725 1 1199 . 1 1 100 100 HIS CD2 C 13 121.438 0.30 . 1 . . . . . 376 HIS CD2 . 27725 1 1200 . 1 1 100 100 HIS CE1 C 13 137.683 0.30 . 1 . . . . . 376 HIS CE1 . 27725 1 1201 . 1 1 100 100 HIS N N 15 118.238 0.30 . 1 . . . . . 376 HIS N . 27725 1 1202 . 1 1 101 101 LEU H H 1 8.55 0.02 . 1 . . . . . 377 LEU HN . 27725 1 1203 . 1 1 101 101 LEU HA H 1 4.528 0.02 . 1 . . . . . 377 LEU HA . 27725 1 1204 . 1 1 101 101 LEU HB2 H 1 1.466 0.02 . 2 . . . . . 377 LEU HB1 . 27725 1 1205 . 1 1 101 101 LEU HB3 H 1 1.605 0.02 . 2 . . . . . 377 LEU HB2 . 27725 1 1206 . 1 1 101 101 LEU HG H 1 1.625 0.02 . 1 . . . . . 377 LEU HG . 27725 1 1207 . 1 1 101 101 LEU HD11 H 1 0.855 0.02 . 2 . . . . . 377 LEU HD11 . 27725 1 1208 . 1 1 101 101 LEU HD12 H 1 0.855 0.02 . 2 . . . . . 377 LEU HD11 . 27725 1 1209 . 1 1 101 101 LEU HD13 H 1 0.855 0.02 . 2 . . . . . 377 LEU HD11 . 27725 1 1210 . 1 1 101 101 LEU HD21 H 1 0.811 0.02 . 2 . . . . . 377 LEU HD21 . 27725 1 1211 . 1 1 101 101 LEU HD22 H 1 0.811 0.02 . 2 . . . . . 377 LEU HD21 . 27725 1 1212 . 1 1 101 101 LEU HD23 H 1 0.811 0.02 . 2 . . . . . 377 LEU HD21 . 27725 1 1213 . 1 1 101 101 LEU C C 13 175.95 0.30 . 1 . . . . . 377 LEU C . 27725 1 1214 . 1 1 101 101 LEU CA C 13 54.801 0.30 . 1 . . . . . 377 LEU CA . 27725 1 1215 . 1 1 101 101 LEU CB C 13 46.158 0.30 . 1 . . . . . 377 LEU CB . 27725 1 1216 . 1 1 101 101 LEU CG C 13 26.998 0.30 . 1 . . . . . 377 LEU CG . 27725 1 1217 . 1 1 101 101 LEU CD1 C 13 24.933 0.30 . 1 . . . . . 377 LEU CD1 . 27725 1 1218 . 1 1 101 101 LEU CD2 C 13 24.182 0.30 . 1 . . . . . 377 LEU CD2 . 27725 1 1219 . 1 1 101 101 LEU N N 15 121.081 0.30 . 1 . . . . . 377 LEU N . 27725 1 1220 . 1 1 102 102 ILE H H 1 8.392 0.02 . 1 . . . . . 378 ILE HN . 27725 1 1221 . 1 1 102 102 ILE HA H 1 4.551 0.02 . 1 . . . . . 378 ILE HA . 27725 1 1222 . 1 1 102 102 ILE HB H 1 1.184 0.02 . 1 . . . . . 378 ILE HB . 27725 1 1223 . 1 1 102 102 ILE HG12 H 1 0.339 0.02 . 1 . . . . . 378 ILE HG11 . 27725 1 1224 . 1 1 102 102 ILE HG13 H 1 0.339 0.02 . 1 . . . . . 378 ILE HG12 . 27725 1 1225 . 1 1 102 102 ILE HG21 H 1 0.097 0.02 . 1 . . . . . 378 ILE HG21 . 27725 1 1226 . 1 1 102 102 ILE HG22 H 1 0.097 0.02 . 1 . . . . . 378 ILE HG21 . 27725 1 1227 . 1 1 102 102 ILE HG23 H 1 0.097 0.02 . 1 . . . . . 378 ILE HG21 . 27725 1 1228 . 1 1 102 102 ILE HD11 H 1 0.358 0.02 . 1 . . . . . 378 ILE HD11 . 27725 1 1229 . 1 1 102 102 ILE HD12 H 1 0.358 0.02 . 1 . . . . . 378 ILE HD11 . 27725 1 1230 . 1 1 102 102 ILE HD13 H 1 0.358 0.02 . 1 . . . . . 378 ILE HD11 . 27725 1 1231 . 1 1 102 102 ILE C C 13 173.985 0.30 . 1 . . . . . 378 ILE C . 27725 1 1232 . 1 1 102 102 ILE CA C 13 60.404 0.30 . 1 . . . . . 378 ILE CA . 27725 1 1233 . 1 1 102 102 ILE CB C 13 42.131 0.30 . 1 . . . . . 378 ILE CB . 27725 1 1234 . 1 1 102 102 ILE CG1 C 13 27.314 0.30 . 1 . . . . . 378 ILE CG1 . 27725 1 1235 . 1 1 102 102 ILE CG2 C 13 13.935 0.30 . 1 . . . . . 378 ILE CG2 . 27725 1 1236 . 1 1 102 102 ILE CD1 C 13 17.524 0.30 . 1 . . . . . 378 ILE CD1 . 27725 1 1237 . 1 1 102 102 ILE N N 15 123.814 0.30 . 1 . . . . . 378 ILE N . 27725 1 1238 . 1 1 103 103 GLU H H 1 8.916 0.02 . 1 . . . . . 379 GLU HN . 27725 1 1239 . 1 1 103 103 GLU HA H 1 4.991 0.02 . 1 . . . . . 379 GLU HA . 27725 1 1240 . 1 1 103 103 GLU HB2 H 1 1.124 0.02 . 2 . . . . . 379 GLU HB1 . 27725 1 1241 . 1 1 103 103 GLU HB3 H 1 1.204 0.02 . 2 . . . . . 379 GLU HB2 . 27725 1 1242 . 1 1 103 103 GLU HG2 H 1 1.762 0.02 . 2 . . . . . 379 GLU HG1 . 27725 1 1243 . 1 1 103 103 GLU HG3 H 1 1.762 0.02 . 2 . . . . . 379 GLU HG2 . 27725 1 1244 . 1 1 103 103 GLU C C 13 175.104 0.30 . 1 . . . . . 379 GLU C . 27725 1 1245 . 1 1 103 103 GLU CA C 13 54.688 0.30 . 1 . . . . . 379 GLU CA . 27725 1 1246 . 1 1 103 103 GLU CB C 13 34.004 0.30 . 1 . . . . . 379 GLU CB . 27725 1 1247 . 1 1 103 103 GLU CG C 13 35.843 0.30 . 1 . . . . . 379 GLU CG . 27725 1 1248 . 1 1 103 103 GLU N N 15 126.112 0.30 . 1 . . . . . 379 GLU N . 27725 1 1249 . 1 1 104 104 LEU H H 1 7.746 0.02 . 1 . . . . . 380 LEU HN . 27725 1 1250 . 1 1 104 104 LEU HA H 1 5.165 0.02 . 1 . . . . . 380 LEU HA . 27725 1 1251 . 1 1 104 104 LEU HB2 H 1 1.602 0.02 . 2 . . . . . 380 LEU HB1 . 27725 1 1252 . 1 1 104 104 LEU HB3 H 1 1.701 0.02 . 2 . . . . . 380 LEU HB2 . 27725 1 1253 . 1 1 104 104 LEU HG H 1 1.647 0.02 . 1 . . . . . 380 LEU HG . 27725 1 1254 . 1 1 104 104 LEU HD11 H 1 0.911 0.02 . 2 . . . . . 380 LEU HD11 . 27725 1 1255 . 1 1 104 104 LEU HD12 H 1 0.911 0.02 . 2 . . . . . 380 LEU HD11 . 27725 1 1256 . 1 1 104 104 LEU HD13 H 1 0.911 0.02 . 2 . . . . . 380 LEU HD11 . 27725 1 1257 . 1 1 104 104 LEU HD21 H 1 0.851 0.02 . 2 . . . . . 380 LEU HD21 . 27725 1 1258 . 1 1 104 104 LEU HD22 H 1 0.851 0.02 . 2 . . . . . 380 LEU HD21 . 27725 1 1259 . 1 1 104 104 LEU HD23 H 1 0.851 0.02 . 2 . . . . . 380 LEU HD21 . 27725 1 1260 . 1 1 104 104 LEU C C 13 175.047 0.30 . 1 . . . . . 380 LEU C . 27725 1 1261 . 1 1 104 104 LEU CA C 13 54.497 0.30 . 1 . . . . . 380 LEU CA . 27725 1 1262 . 1 1 104 104 LEU CB C 13 42.465 0.30 . 1 . . . . . 380 LEU CB . 27725 1 1263 . 1 1 104 104 LEU CG C 13 26.592 0.30 . 1 . . . . . 380 LEU CG . 27725 1 1264 . 1 1 104 104 LEU CD1 C 13 24.847 0.30 . 1 . . . . . 380 LEU CD1 . 27725 1 1265 . 1 1 104 104 LEU CD2 C 13 23.101 0.30 . 1 . . . . . 380 LEU CD2 . 27725 1 1266 . 1 1 104 104 LEU N N 15 127.11 0.30 . 1 . . . . . 380 LEU N . 27725 1 1267 . 1 1 105 105 LEU H H 1 8.841 0.02 . 1 . . . . . 381 LEU HN . 27725 1 1268 . 1 1 105 105 LEU HA H 1 5.439 0.02 . 1 . . . . . 381 LEU HA . 27725 1 1269 . 1 1 105 105 LEU HB2 H 1 1.591 0.02 . 2 . . . . . 381 LEU HB1 . 27725 1 1270 . 1 1 105 105 LEU HB3 H 1 1.617 0.02 . 2 . . . . . 381 LEU HB2 . 27725 1 1271 . 1 1 105 105 LEU HG H 1 0.876 0.02 . 1 . . . . . 381 LEU HG . 27725 1 1272 . 1 1 105 105 LEU HD11 H 1 0.888 0.02 . 2 . . . . . 381 LEU HD11 . 27725 1 1273 . 1 1 105 105 LEU HD12 H 1 0.888 0.02 . 2 . . . . . 381 LEU HD11 . 27725 1 1274 . 1 1 105 105 LEU HD13 H 1 0.888 0.02 . 2 . . . . . 381 LEU HD11 . 27725 1 1275 . 1 1 105 105 LEU HD21 H 1 0.849 0.02 . 2 . . . . . 381 LEU HD21 . 27725 1 1276 . 1 1 105 105 LEU HD22 H 1 0.849 0.02 . 2 . . . . . 381 LEU HD21 . 27725 1 1277 . 1 1 105 105 LEU HD23 H 1 0.849 0.02 . 2 . . . . . 381 LEU HD21 . 27725 1 1278 . 1 1 105 105 LEU C C 13 174.9 0.30 . 1 . . . . . 381 LEU C . 27725 1 1279 . 1 1 105 105 LEU CA C 13 56.085 0.30 . 1 . . . . . 381 LEU CA . 27725 1 1280 . 1 1 105 105 LEU CB C 13 46.598 0.30 . 1 . . . . . 381 LEU CB . 27725 1 1281 . 1 1 105 105 LEU CG C 13 26.856 0.30 . 1 . . . . . 381 LEU CG . 27725 1 1282 . 1 1 105 105 LEU CD1 C 13 25.272 0.30 . 1 . . . . . 381 LEU CD1 . 27725 1 1283 . 1 1 105 105 LEU CD2 C 13 24.107 0.30 . 1 . . . . . 381 LEU CD2 . 27725 1 1284 . 1 1 105 105 LEU N N 15 127.301 0.30 . 1 . . . . . 381 LEU N . 27725 1 1285 . 1 1 106 106 ASP H H 1 7.174 0.02 . 1 . . . . . 382 ASP HN . 27725 1 1286 . 1 1 106 106 ASP HA H 1 4.874 0.02 . 1 . . . . . 382 ASP HA . 27725 1 1287 . 1 1 106 106 ASP HB2 H 1 2.757 0.02 . 2 . . . . . 382 ASP HB1 . 27725 1 1288 . 1 1 106 106 ASP HB3 H 1 2.757 0.02 . 2 . . . . . 382 ASP HB2 . 27725 1 1289 . 1 1 106 106 ASP C C 13 174.03 0.30 . 1 . . . . . 382 ASP C . 27725 1 1290 . 1 1 106 106 ASP CA C 13 53.435 0.30 . 1 . . . . . 382 ASP CA . 27725 1 1291 . 1 1 106 106 ASP CB C 13 44.112 0.30 . 1 . . . . . 382 ASP CB . 27725 1 1292 . 1 1 106 106 ASP N N 15 113.691 0.30 . 1 . . . . . 382 ASP N . 27725 1 1293 . 1 1 107 107 THR H H 1 9.152 0.02 . 1 . . . . . 383 THR HN . 27725 1 1294 . 1 1 107 107 THR HA H 1 5.534 0.02 . 1 . . . . . 383 THR HA . 27725 1 1295 . 1 1 107 107 THR HB H 1 4.302 0.02 . 1 . . . . . 383 THR HB . 27725 1 1296 . 1 1 107 107 THR HG21 H 1 1.29 0.02 . 1 . . . . . 383 THR HG21 . 27725 1 1297 . 1 1 107 107 THR HG22 H 1 1.29 0.02 . 1 . . . . . 383 THR HG21 . 27725 1 1298 . 1 1 107 107 THR HG23 H 1 1.29 0.02 . 1 . . . . . 383 THR HG21 . 27725 1 1299 . 1 1 107 107 THR C C 13 172.596 0.30 . 1 . . . . . 383 THR C . 27725 1 1300 . 1 1 107 107 THR CA C 13 61.037 0.30 . 1 . . . . . 383 THR CA . 27725 1 1301 . 1 1 107 107 THR CB C 13 72.02 0.30 . 1 . . . . . 383 THR CB . 27725 1 1302 . 1 1 107 107 THR CG2 C 13 22.069 0.30 . 1 . . . . . 383 THR CG2 . 27725 1 1303 . 1 1 107 107 THR N N 15 111.768 0.30 . 1 . . . . . 383 THR N . 27725 1 1304 . 1 1 108 108 ARG H H 1 9.21 0.02 . 1 . . . . . 384 ARG HN . 27725 1 1305 . 1 1 108 108 ARG HA H 1 4.281 0.02 . 1 . . . . . 384 ARG HA . 27725 1 1306 . 1 1 108 108 ARG HB2 H 1 1.633 0.02 . 2 . . . . . 384 ARG HB1 . 27725 1 1307 . 1 1 108 108 ARG HB3 H 1 1.633 0.02 . 2 . . . . . 384 ARG HB2 . 27725 1 1308 . 1 1 108 108 ARG HG2 H 1 1.352 0.02 . 2 . . . . . 384 ARG HG1 . 27725 1 1309 . 1 1 108 108 ARG HG3 H 1 1.419 0.02 . 2 . . . . . 384 ARG HG2 . 27725 1 1310 . 1 1 108 108 ARG HD2 H 1 2.937 0.02 . 2 . . . . . 384 ARG HD1 . 27725 1 1311 . 1 1 108 108 ARG HD3 H 1 3.07 0.02 . 2 . . . . . 384 ARG HD2 . 27725 1 1312 . 1 1 108 108 ARG C C 13 172.969 0.30 . 1 . . . . . 384 ARG C . 27725 1 1313 . 1 1 108 108 ARG CA C 13 55.245 0.30 . 1 . . . . . 384 ARG CA . 27725 1 1314 . 1 1 108 108 ARG CB C 13 29.682 0.30 . 1 . . . . . 384 ARG CB . 27725 1 1315 . 1 1 108 108 ARG CG C 13 25.449 0.30 . 1 . . . . . 384 ARG CG . 27725 1 1316 . 1 1 108 108 ARG CD C 13 42.227 0.30 . 1 . . . . . 384 ARG CD . 27725 1 1317 . 1 1 108 108 ARG N N 15 118.553 0.30 . 1 . . . . . 384 ARG N . 27725 1 1318 . 1 1 109 109 ASN H H 1 8.665 0.02 . 1 . . . . . 385 ASN HN . 27725 1 1319 . 1 1 109 109 ASN HA H 1 5.381 0.02 . 1 . . . . . 385 ASN HA . 27725 1 1320 . 1 1 109 109 ASN HB2 H 1 2.596 0.02 . 2 . . . . . 385 ASN HB1 . 27725 1 1321 . 1 1 109 109 ASN HB3 H 1 2.596 0.02 . 2 . . . . . 385 ASN HB2 . 27725 1 1322 . 1 1 109 109 ASN HD21 H 1 6.887 0.02 . 2 . . . . . 385 ASN HD21 . 27725 1 1323 . 1 1 109 109 ASN HD22 H 1 7.493 0.02 . 2 . . . . . 385 ASN HD22 . 27725 1 1324 . 1 1 109 109 ASN C C 13 175.103 0.30 . 1 . . . . . 385 ASN C . 27725 1 1325 . 1 1 109 109 ASN CA C 13 52.498 0.30 . 1 . . . . . 385 ASN CA . 27725 1 1326 . 1 1 109 109 ASN CB C 13 39.948 0.30 . 1 . . . . . 385 ASN CB . 27725 1 1327 . 1 1 109 109 ASN N N 15 119.986 0.30 . 1 . . . . . 385 ASN N . 27725 1 1328 . 1 1 109 109 ASN ND2 N 15 112.466 0.30 . 1 . . . . . 385 ASN ND2 . 27725 1 1329 . 1 1 110 110 VAL H H 1 8.759 0.02 . 1 . . . . . 386 VAL HN . 27725 1 1330 . 1 1 110 110 VAL HA H 1 4.179 0.02 . 1 . . . . . 386 VAL HA . 27725 1 1331 . 1 1 110 110 VAL HB H 1 1.955 0.02 . 1 . . . . . 386 VAL HB . 27725 1 1332 . 1 1 110 110 VAL HG11 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG11 . 27725 1 1333 . 1 1 110 110 VAL HG12 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG11 . 27725 1 1334 . 1 1 110 110 VAL HG13 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG11 . 27725 1 1335 . 1 1 110 110 VAL HG21 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG21 . 27725 1 1336 . 1 1 110 110 VAL HG22 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG21 . 27725 1 1337 . 1 1 110 110 VAL HG23 H 1 0.903 0.02 . 2 . . . . . 386 VAL HG21 . 27725 1 1338 . 1 1 110 110 VAL C C 13 175.069 0.30 . 1 . . . . . 386 VAL C . 27725 1 1339 . 1 1 110 110 VAL CA C 13 61.305 0.30 . 1 . . . . . 386 VAL CA . 27725 1 1340 . 1 1 110 110 VAL CB C 13 34.049 0.30 . 1 . . . . . 386 VAL CB . 27725 1 1341 . 1 1 110 110 VAL CG1 C 13 20.453 0.30 . 1 . . . . . 386 VAL CG1 . 27725 1 1342 . 1 1 110 110 VAL CG2 C 13 21.423 0.30 . 1 . . . . . 386 VAL CG2 . 27725 1 1343 . 1 1 110 110 VAL N N 15 121.165 0.30 . 1 . . . . . 386 VAL N . 27725 1 1344 . 1 1 111 111 ASP H H 1 8.466 0.02 . 1 . . . . . 387 ASP HN . 27725 1 1345 . 1 1 111 111 ASP HA H 1 4.582 0.02 . 1 . . . . . 387 ASP HA . 27725 1 1346 . 1 1 111 111 ASP HB2 H 1 2.6 0.02 . 2 . . . . . 387 ASP HB1 . 27725 1 1347 . 1 1 111 111 ASP HB3 H 1 2.709 0.02 . 2 . . . . . 387 ASP HB2 . 27725 1 1348 . 1 1 111 111 ASP C C 13 176.831 0.30 . 1 . . . . . 387 ASP C . 27725 1 1349 . 1 1 111 111 ASP CA C 13 54.114 0.30 . 1 . . . . . 387 ASP CA . 27725 1 1350 . 1 1 111 111 ASP CB C 13 41.372 0.30 . 1 . . . . . 387 ASP CB . 27725 1 1351 . 1 1 111 111 ASP N N 15 124.421 0.30 . 1 . . . . . 387 ASP N . 27725 1 1352 . 1 1 112 112 LYS H H 1 8.541 0.02 . 1 . . . . . 388 LYS HN . 27725 1 1353 . 1 1 112 112 LYS HA H 1 4.356 0.02 . 1 . . . . . 388 LYS HA . 27725 1 1354 . 1 1 112 112 LYS HB2 H 1 1.655 0.02 . 2 . . . . . 388 LYS HB1 . 27725 1 1355 . 1 1 112 112 LYS HB3 H 1 1.885 0.02 . 2 . . . . . 388 LYS HB2 . 27725 1 1356 . 1 1 112 112 LYS HG2 H 1 1.371 0.02 . 2 . . . . . 388 LYS HG1 . 27725 1 1357 . 1 1 112 112 LYS HG3 H 1 1.432 0.02 . 2 . . . . . 388 LYS HG2 . 27725 1 1358 . 1 1 112 112 LYS HD2 H 1 1.601 0.02 . 2 . . . . . 388 LYS HD1 . 27725 1 1359 . 1 1 112 112 LYS HD3 H 1 1.706 0.02 . 2 . . . . . 388 LYS HD2 . 27725 1 1360 . 1 1 112 112 LYS HE2 H 1 2.966 0.02 . 2 . . . . . 388 LYS HE1 . 27725 1 1361 . 1 1 112 112 LYS HE3 H 1 3.067 0.02 . 2 . . . . . 388 LYS HE2 . 27725 1 1362 . 1 1 112 112 LYS C C 13 176.797 0.30 . 1 . . . . . 388 LYS C . 27725 1 1363 . 1 1 112 112 LYS CA C 13 56.128 0.30 . 1 . . . . . 388 LYS CA . 27725 1 1364 . 1 1 112 112 LYS CB C 13 33.026 0.30 . 1 . . . . . 388 LYS CB . 27725 1 1365 . 1 1 112 112 LYS CG C 13 24.651 0.30 . 1 . . . . . 388 LYS CG . 27725 1 1366 . 1 1 112 112 LYS CD C 13 28.865 0.30 . 1 . . . . . 388 LYS CD . 27725 1 1367 . 1 1 112 112 LYS CE C 13 42.244 0.30 . 1 . . . . . 388 LYS CE . 27725 1 1368 . 1 1 112 112 LYS N N 15 123.298 0.30 . 1 . . . . . 388 LYS N . 27725 1 1369 . 1 1 113 113 THR H H 1 8.332 0.02 . 1 . . . . . 389 THR HN . 27725 1 1370 . 1 1 113 113 THR HA H 1 4.273 0.02 . 9 . . . . . 389 THR HA . 27725 1 1371 . 1 1 113 113 THR HB H 1 4.186 0.02 . 9 . . . . . 389 THR HB . 27725 1 1372 . 1 1 113 113 THR HG21 H 1 1.175 0.02 . 9 . . . . . 389 THR HG21 . 27725 1 1373 . 1 1 113 113 THR HG22 H 1 1.175 0.02 . 9 . . . . . 389 THR HG21 . 27725 1 1374 . 1 1 113 113 THR HG23 H 1 1.175 0.02 . 9 . . . . . 389 THR HG21 . 27725 1 1375 . 1 1 113 113 THR C C 13 174.697 0.30 . 9 . . . . . 389 THR C . 27725 1 1376 . 1 1 113 113 THR CA C 13 62.632 0.30 . 9 . . . . . 389 THR CA . 27725 1 1377 . 1 1 113 113 THR CB C 13 69.838 0.30 . 9 . . . . . 389 THR CB . 27725 1 1378 . 1 1 113 113 THR CG2 C 13 21.443 0.30 . 9 . . . . . 389 THR CG2 . 27725 1 1379 . 1 1 113 113 THR N N 15 116.262 0.30 . 1 . . . . . 389 THR N . 27725 1 1380 . 1 1 114 114 ASP H H 1 8.412 0.02 . 1 . . . . . 390 ASP HN . 27725 1 1381 . 1 1 114 114 ASP HA H 1 4.56 0.02 . 9 . . . . . 390 ASP HA . 27725 1 1382 . 1 1 114 114 ASP HB2 H 1 2.629 0.02 . 9 . . . . . 390 ASP HB1 . 27725 1 1383 . 1 1 114 114 ASP HB3 H 1 2.704 0.02 . 9 . . . . . 390 ASP HB2 . 27725 1 1384 . 1 1 114 114 ASP C C 13 176.425 0.30 . 9 . . . . . 390 ASP C . 27725 1 1385 . 1 1 114 114 ASP CA C 13 54.542 0.30 . 9 . . . . . 390 ASP CA . 27725 1 1386 . 1 1 114 114 ASP CB C 13 41.207 0.30 . 9 . . . . . 390 ASP CB . 27725 1 1387 . 1 1 114 114 ASP N N 15 123.414 0.30 . 1 . . . . . 390 ASP N . 27725 1 stop_ save_