data_27875 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27875 _Entry.Title ; Solution Structure of the RAZUL domain from 26S proteasome subunit hRpn10/S5a complexed with the AZUL domain from E3 ligase E6AP/UBE3A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-08 _Entry.Accession_date 2019-04-08 _Entry.Last_release_date 2019-04-09 _Entry.Original_release_date 2019-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Xiang Chen . . . . 27875 2 Kylie Walters . J. . . 27875 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27875 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 27875 '15N chemical shifts' 143 27875 '1H chemical shifts' 926 27875 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 3 . . 2020-05-13 2019-04-08 update author 'update entry title' 27875 2 . . 2020-03-31 2019-04-08 update BMRB 'update entry citation' 27875 1 . . 2020-03-11 2019-04-08 original author 'original release' 27875 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27875 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32157086 _Citation.DOI 10.1038/s41467-020-15073-7 _Citation.Full_citation . _Citation.Title ; Structure of E3 ligase E6AP with a proteasome-binding site provided by substrate receptor hRpn10 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 1291 _Citation.Page_last 1291 _Citation.Year 2020 _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 Gwen Buel . R. . . 27875 1 2 Xiang Chen . . . . 27875 1 3 Raj Chari . . . . 27875 1 4 Maura O'Neill . J. . . 27875 1 5 Danielle Ebelle . L. . . 27875 1 6 Conor Jenkins . . . . 27875 1 7 Vinidhra Sridharan . . . . 27875 1 8 Sergey Tarasov . G. . . 27875 1 9 Nadya Tarasova . I. . . 27875 1 10 Thorkell Andresson . . . . 27875 1 11 Kylie Walters . J. . . 27875 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27875 _Assembly.ID 1 _Assembly.Name 'proteasome proteins' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hRpn10 1 $entity_1 A . yes native no no . . . 27875 1 2 UBE3A 2 $entity_2 B . yes native no no . . . 27875 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 27875 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SADIDASSAMDTSEPAKEED DYDVMQDPEFLQSVLENLPG VDPNNEAIRNAMGSLASQAT KDGKKDKKEEDKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 1 305 SER . 27875 1 2 306 ALA . 27875 1 3 307 ASP . 27875 1 4 308 ILE . 27875 1 5 309 ASP . 27875 1 6 310 ALA . 27875 1 7 311 SER . 27875 1 8 312 SER . 27875 1 9 313 ALA . 27875 1 10 314 MET . 27875 1 11 315 ASP . 27875 1 12 316 THR . 27875 1 13 317 SER . 27875 1 14 318 GLU . 27875 1 15 319 PRO . 27875 1 16 320 ALA . 27875 1 17 321 LYS . 27875 1 18 322 GLU . 27875 1 19 323 GLU . 27875 1 20 324 ASP . 27875 1 21 325 ASP . 27875 1 22 326 TYR . 27875 1 23 327 ASP . 27875 1 24 328 VAL . 27875 1 25 329 MET . 27875 1 26 330 GLN . 27875 1 27 331 ASP . 27875 1 28 332 PRO . 27875 1 29 333 GLU . 27875 1 30 334 PHE . 27875 1 31 335 LEU . 27875 1 32 336 GLN . 27875 1 33 337 SER . 27875 1 34 338 VAL . 27875 1 35 339 LEU . 27875 1 36 340 GLU . 27875 1 37 341 ASN . 27875 1 38 342 LEU . 27875 1 39 343 PRO . 27875 1 40 344 GLY . 27875 1 41 345 VAL . 27875 1 42 346 ASP . 27875 1 43 347 PRO . 27875 1 44 348 ASN . 27875 1 45 349 ASN . 27875 1 46 350 GLU . 27875 1 47 351 ALA . 27875 1 48 352 ILE . 27875 1 49 353 ARG . 27875 1 50 354 ASN . 27875 1 51 355 ALA . 27875 1 52 356 MET . 27875 1 53 357 GLY . 27875 1 54 358 SER . 27875 1 55 359 LEU . 27875 1 56 360 ALA . 27875 1 57 361 SER . 27875 1 58 362 GLN . 27875 1 59 363 ALA . 27875 1 60 364 THR . 27875 1 61 365 LYS . 27875 1 62 366 ASP . 27875 1 63 367 GLY . 27875 1 64 368 LYS . 27875 1 65 369 LYS . 27875 1 66 370 ASP . 27875 1 67 371 LYS . 27875 1 68 372 LYS . 27875 1 69 373 GLU . 27875 1 70 374 GLU . 27875 1 71 375 ASP . 27875 1 72 376 LYS . 27875 1 73 377 LYS . 27875 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27875 1 . ALA 2 2 27875 1 . ASP 3 3 27875 1 . ILE 4 4 27875 1 . ASP 5 5 27875 1 . ALA 6 6 27875 1 . SER 7 7 27875 1 . SER 8 8 27875 1 . ALA 9 9 27875 1 . MET 10 10 27875 1 . ASP 11 11 27875 1 . THR 12 12 27875 1 . SER 13 13 27875 1 . GLU 14 14 27875 1 . PRO 15 15 27875 1 . ALA 16 16 27875 1 . LYS 17 17 27875 1 . GLU 18 18 27875 1 . GLU 19 19 27875 1 . ASP 20 20 27875 1 . ASP 21 21 27875 1 . TYR 22 22 27875 1 . ASP 23 23 27875 1 . VAL 24 24 27875 1 . MET 25 25 27875 1 . GLN 26 26 27875 1 . ASP 27 27 27875 1 . PRO 28 28 27875 1 . GLU 29 29 27875 1 . PHE 30 30 27875 1 . LEU 31 31 27875 1 . GLN 32 32 27875 1 . SER 33 33 27875 1 . VAL 34 34 27875 1 . LEU 35 35 27875 1 . GLU 36 36 27875 1 . ASN 37 37 27875 1 . LEU 38 38 27875 1 . PRO 39 39 27875 1 . GLY 40 40 27875 1 . VAL 41 41 27875 1 . ASP 42 42 27875 1 . PRO 43 43 27875 1 . ASN 44 44 27875 1 . ASN 45 45 27875 1 . GLU 46 46 27875 1 . ALA 47 47 27875 1 . ILE 48 48 27875 1 . ARG 49 49 27875 1 . ASN 50 50 27875 1 . ALA 51 51 27875 1 . MET 52 52 27875 1 . GLY 53 53 27875 1 . SER 54 54 27875 1 . LEU 55 55 27875 1 . ALA 56 56 27875 1 . SER 57 57 27875 1 . GLN 58 58 27875 1 . ALA 59 59 27875 1 . THR 60 60 27875 1 . LYS 61 61 27875 1 . ASP 62 62 27875 1 . GLY 63 63 27875 1 . LYS 64 64 27875 1 . LYS 65 65 27875 1 . ASP 66 66 27875 1 . LYS 67 67 27875 1 . LYS 68 68 27875 1 . GLU 69 69 27875 1 . GLU 70 70 27875 1 . ASP 71 71 27875 1 . LYS 72 72 27875 1 . LYS 73 73 27875 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 27875 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MKRAAAKHLIERYYHQLTEG CGNEACTNEFCASCPTFLRM DNNAAAIKALELYKINAKLC DPHP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 24 MET . 27875 2 2 25 LYS . 27875 2 3 26 ARG . 27875 2 4 27 ALA . 27875 2 5 28 ALA . 27875 2 6 29 ALA . 27875 2 7 30 LYS . 27875 2 8 31 HIS . 27875 2 9 32 LEU . 27875 2 10 33 ILE . 27875 2 11 34 GLU . 27875 2 12 35 ARG . 27875 2 13 36 TYR . 27875 2 14 37 TYR . 27875 2 15 38 HIS . 27875 2 16 39 GLN . 27875 2 17 40 LEU . 27875 2 18 41 THR . 27875 2 19 42 GLU . 27875 2 20 43 GLY . 27875 2 21 44 CYS . 27875 2 22 45 GLY . 27875 2 23 46 ASN . 27875 2 24 47 GLU . 27875 2 25 48 ALA . 27875 2 26 49 CYS . 27875 2 27 50 THR . 27875 2 28 51 ASN . 27875 2 29 52 GLU . 27875 2 30 53 PHE . 27875 2 31 54 CYS . 27875 2 32 55 ALA . 27875 2 33 56 SER . 27875 2 34 57 CYS . 27875 2 35 58 PRO . 27875 2 36 59 THR . 27875 2 37 60 PHE . 27875 2 38 61 LEU . 27875 2 39 62 ARG . 27875 2 40 63 MET . 27875 2 41 64 ASP . 27875 2 42 65 ASN . 27875 2 43 66 ASN . 27875 2 44 67 ALA . 27875 2 45 68 ALA . 27875 2 46 69 ALA . 27875 2 47 70 ILE . 27875 2 48 71 LYS . 27875 2 49 72 ALA . 27875 2 50 73 LEU . 27875 2 51 74 GLU . 27875 2 52 75 LEU . 27875 2 53 76 TYR . 27875 2 54 77 LYS . 27875 2 55 78 ILE . 27875 2 56 79 ASN . 27875 2 57 80 ALA . 27875 2 58 81 LYS . 27875 2 59 82 LEU . 27875 2 60 83 CYS . 27875 2 61 84 ASP . 27875 2 62 85 PRO . 27875 2 63 86 HIS . 27875 2 64 87 PRO . 27875 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27875 2 . LYS 2 2 27875 2 . ARG 3 3 27875 2 . ALA 4 4 27875 2 . ALA 5 5 27875 2 . ALA 6 6 27875 2 . LYS 7 7 27875 2 . HIS 8 8 27875 2 . LEU 9 9 27875 2 . ILE 10 10 27875 2 . GLU 11 11 27875 2 . ARG 12 12 27875 2 . TYR 13 13 27875 2 . TYR 14 14 27875 2 . HIS 15 15 27875 2 . GLN 16 16 27875 2 . LEU 17 17 27875 2 . THR 18 18 27875 2 . GLU 19 19 27875 2 . GLY 20 20 27875 2 . CYS 21 21 27875 2 . GLY 22 22 27875 2 . ASN 23 23 27875 2 . GLU 24 24 27875 2 . ALA 25 25 27875 2 . CYS 26 26 27875 2 . THR 27 27 27875 2 . ASN 28 28 27875 2 . GLU 29 29 27875 2 . PHE 30 30 27875 2 . CYS 31 31 27875 2 . ALA 32 32 27875 2 . SER 33 33 27875 2 . CYS 34 34 27875 2 . PRO 35 35 27875 2 . THR 36 36 27875 2 . PHE 37 37 27875 2 . LEU 38 38 27875 2 . ARG 39 39 27875 2 . MET 40 40 27875 2 . ASP 41 41 27875 2 . ASN 42 42 27875 2 . ASN 43 43 27875 2 . ALA 44 44 27875 2 . ALA 45 45 27875 2 . ALA 46 46 27875 2 . ILE 47 47 27875 2 . LYS 48 48 27875 2 . ALA 49 49 27875 2 . LEU 50 50 27875 2 . GLU 51 51 27875 2 . LEU 52 52 27875 2 . TYR 53 53 27875 2 . LYS 54 54 27875 2 . ILE 55 55 27875 2 . ASN 56 56 27875 2 . ALA 57 57 27875 2 . LYS 58 58 27875 2 . LEU 59 59 27875 2 . CYS 60 60 27875 2 . ASP 61 61 27875 2 . PRO 62 62 27875 2 . HIS 63 63 27875 2 . PRO 64 64 27875 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27875 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27875 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27875 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 27875 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6P3 . . . 27875 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27875 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27875 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labeled hRpn10 mixed with unlabeled UBE3A' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 27875 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.75 . . mM . . . . 27875 1 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 27875 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27875 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27875 1 6 ZnSO4 'natural abundance' . . . . . . 10 . . uM . . . . 27875 1 7 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27875 1 8 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 27875 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27875 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labeled hRpn10 mixed with unlabeled UBE3A' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 27875 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.75 . . mM . . . . 27875 2 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 27875 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27875 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27875 2 6 ZnSO4 'natural abundance' . . . . . . 10 . . uM . . . . 27875 2 7 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27875 2 8 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 27875 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27875 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labeled UBE3A mixed with unlabeled hRpn10' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 27875 3 2 entity_1 'natural abundance' . . 1 $entity_1 . . 0.75 . . mM . . . . 27875 3 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 27875 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27875 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27875 3 6 ZnSO4 'natural abundance' . . . . . . 10 . . uM . . . . 27875 3 7 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27875 3 8 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 27875 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27875 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled UBE3A mixed with unlabeled hRpn10' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_2 '[U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 27875 4 2 entity_1 'natural abundance' . . 1 $entity_1 . . 0.75 . . mM . . . . 27875 4 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 27875 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27875 4 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27875 4 6 ZnSO4 'natural abundance' . . . . . . 10 . . uM . . . . 27875 4 7 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27875 4 8 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 27875 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 27875 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labeled UBE3A mixed with unlabeled hRpn10' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_2 '[U-100% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 27875 5 2 entity_1 'natural abundance' . . 1 $entity_1 . . 0.75 . . mM . . . . 27875 5 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 27875 5 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27875 5 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27875 5 6 ZnSO4 'natural abundance' . . . . . . 10 . . uM . . . . 27875 5 7 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27875 5 8 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 27875 5 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 27875 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27875 1 pH 6.5 . pH 27875 1 pressure 1 . atm 27875 1 temperature 298 . K 27875 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27875 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27875 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27875 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27875 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27875 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27875 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27875 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27875 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27875 3 . 'peak picking' 27875 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27875 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27875 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27875 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27875 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27875 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27875 1 2 spectrometer_2 Bruker Avance . 700 . . . 27875 1 3 spectrometer_3 Bruker Avance . 600 . . . 27875 1 4 spectrometer_4 Bruker Avance . 800 . . . 27875 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 27875 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27875 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27875 1 6 '3D 13C-half filter NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27875 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27875 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 12 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 13 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 14 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 15 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 17 '3D 13C-half filter NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 20 '3D CCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27875 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27875 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 27875 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27875 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27875 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27875 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 27875 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27875 1 2 '3D 1H-15N NOESY' . . . 27875 1 3 '3D HNCACB' . . . 27875 1 4 '3D HN(CA)CO' . . . 27875 1 5 '3D HNCO' . . . 27875 1 6 '3D 13C-half filter NOESY' . . . 27875 1 7 '3D 1H-13C NOESY aliphatic' . . . 27875 1 8 '3D HCCH-TOCSY' . . . 27875 1 9 '2D 1H-13C HSQC' . . . 27875 1 10 '3D HNCACB' . . . 27875 1 11 '3D CBCA(CO)NH' . . . 27875 1 12 '3D HNCA' . . . 27875 1 13 '3D HN(CO)CA' . . . 27875 1 14 '3D HNCO' . . . 27875 1 15 '3D HN(CA)CO' . . . 27875 1 16 '3D 1H-15N NOESY' . . . 27875 1 17 '3D 13C-half filter NOESY' . . . 27875 1 18 '3D 1H-13C NOESY aliphatic' . . . 27875 1 19 '3D HCCH-TOCSY' . . . 27875 1 20 '3D CCH-TOCSY' . . . 27875 1 21 '2D 1H-15N HSQC' . . . 27875 1 22 '2D 1H-13C HSQC' . . . 27875 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER H H 1 8.24 0 . 1 . . . . A 305 SER HN . 27875 1 2 . 1 . 1 1 1 SER HA H 1 4.390 0 . 1 . . . . A 305 SER HA . 27875 1 3 . 1 . 1 1 1 SER HB2 H 1 3.915 0 . 2 . . . . A 305 SER HB2 . 27875 1 4 . 1 . 1 1 1 SER HB3 H 1 3.853 0 . 2 . . . . A 305 SER HB3 . 27875 1 5 . 1 . 1 1 1 SER C C 13 174.333 0 . 1 . . . . A 305 SER C . 27875 1 6 . 1 . 1 1 1 SER CA C 13 58.573 0 . 1 . . . . A 305 SER CA . 27875 1 7 . 1 . 1 1 1 SER CB C 13 63.765 0 . 1 . . . . A 305 SER CB . 27875 1 8 . 1 . 1 1 1 SER N N 15 116.488 0 . 1 . . . . A 305 SER N . 27875 1 9 . 1 . 1 2 2 ALA H H 1 8.325 0 . 1 . . . . A 306 ALA HN . 27875 1 10 . 1 . 1 2 2 ALA HA H 1 4.336 0 . 1 . . . . A 306 ALA HA . 27875 1 11 . 1 . 1 2 2 ALA HB1 H 1 1.376 0 . 1 . . . . A 306 ALA QB . 27875 1 12 . 1 . 1 2 2 ALA HB2 H 1 1.376 0 . 1 . . . . A 306 ALA QB . 27875 1 13 . 1 . 1 2 2 ALA HB3 H 1 1.376 0 . 1 . . . . A 306 ALA QB . 27875 1 14 . 1 . 1 2 2 ALA C C 13 177.51 0 . 1 . . . . A 306 ALA C . 27875 1 15 . 1 . 1 2 2 ALA CA C 13 52.556 0 . 1 . . . . A 306 ALA CA . 27875 1 16 . 1 . 1 2 2 ALA CB C 13 18.638 0 . 1 . . . . A 306 ALA CB . 27875 1 17 . 1 . 1 2 2 ALA N N 15 125.14 0 . 1 . . . . A 306 ALA N . 27875 1 18 . 1 . 1 3 3 ASP H H 1 8.174 0 . 1 . . . . A 307 ASP HN . 27875 1 19 . 1 . 1 3 3 ASP HA H 1 4.602 0 . 1 . . . . A 307 ASP HA . 27875 1 20 . 1 . 1 3 3 ASP HB2 H 1 2.736 0 . 2 . . . . A 307 ASP HB2 . 27875 1 21 . 1 . 1 3 3 ASP HB3 H 1 2.632 0 . 2 . . . . A 307 ASP HB3 . 27875 1 22 . 1 . 1 3 3 ASP C C 13 176.396 0 . 1 . . . . A 307 ASP C . 27875 1 23 . 1 . 1 3 3 ASP CA C 13 54.255 0 . 1 . . . . A 307 ASP CA . 27875 1 24 . 1 . 1 3 3 ASP CB C 13 40.782 0 . 1 . . . . A 307 ASP CB . 27875 1 25 . 1 . 1 3 3 ASP N N 15 119.14 0 . 1 . . . . A 307 ASP N . 27875 1 26 . 1 . 1 4 4 ILE H H 1 7.952 0 . 1 . . . . A 308 ILE HN . 27875 1 27 . 1 . 1 4 4 ILE HA H 1 4.13 0 . 1 . . . . A 308 ILE HA . 27875 1 28 . 1 . 1 4 4 ILE HB H 1 1.866 0 . 1 . . . . A 308 ILE HB . 27875 1 29 . 1 . 1 4 4 ILE HG12 H 1 1.447 0 . 2 . . . . A 308 ILE HG12 . 27875 1 30 . 1 . 1 4 4 ILE HG13 H 1 1.175 0 . 2 . . . . A 308 ILE HG13 . 27875 1 31 . 1 . 1 4 4 ILE HG21 H 1 0.895 0 . 1 . . . . A 308 ILE QG2 . 27875 1 32 . 1 . 1 4 4 ILE HG22 H 1 0.895 0 . 1 . . . . A 308 ILE QG2 . 27875 1 33 . 1 . 1 4 4 ILE HG23 H 1 0.895 0 . 1 . . . . A 308 ILE QG2 . 27875 1 34 . 1 . 1 4 4 ILE HD11 H 1 0.85 0 . 1 . . . . A 308 ILE QD1 . 27875 1 35 . 1 . 1 4 4 ILE HD12 H 1 0.85 0 . 1 . . . . A 308 ILE QD1 . 27875 1 36 . 1 . 1 4 4 ILE HD13 H 1 0.85 0 . 1 . . . . A 308 ILE QD1 . 27875 1 37 . 1 . 1 4 4 ILE C C 13 176.112 0 . 1 . . . . A 308 ILE C . 27875 1 38 . 1 . 1 4 4 ILE CA C 13 61.161 0 . 1 . . . . A 308 ILE CA . 27875 1 39 . 1 . 1 4 4 ILE CB C 13 38.631 0 . 1 . . . . A 308 ILE CB . 27875 1 40 . 1 . 1 4 4 ILE CG1 C 13 26.865 0 . 1 . . . . A 308 ILE CG1 . 27875 1 41 . 1 . 1 4 4 ILE CG2 C 13 17.184 0 . 1 . . . . A 308 ILE CG2 . 27875 1 42 . 1 . 1 4 4 ILE CD1 C 13 12.657 0 . 1 . . . . A 308 ILE CD1 . 27875 1 43 . 1 . 1 4 4 ILE N N 15 120.366 0 . 1 . . . . A 308 ILE N . 27875 1 44 . 1 . 1 5 5 ASP H H 1 8.354 0 . 1 . . . . A 309 ASP HN . 27875 1 45 . 1 . 1 5 5 ASP HA H 1 4.594 0 . 1 . . . . A 309 ASP HA . 27875 1 46 . 1 . 1 5 5 ASP HB2 H 1 2.726 0 . 2 . . . . A 309 ASP HB2 . 27875 1 47 . 1 . 1 5 5 ASP HB3 H 1 2.610 0 . 2 . . . . A 309 ASP HB3 . 27875 1 48 . 1 . 1 5 5 ASP C C 13 176.308 0 . 1 . . . . A 309 ASP C . 27875 1 49 . 1 . 1 5 5 ASP CA C 13 54.198 0 . 1 . . . . A 309 ASP CA . 27875 1 50 . 1 . 1 5 5 ASP CB C 13 40.838 0 . 1 . . . . A 309 ASP CB . 27875 1 51 . 1 . 1 5 5 ASP N N 15 123.672 0 . 1 . . . . A 309 ASP N . 27875 1 52 . 1 . 1 6 6 ALA H H 1 8.279 0 . 1 . . . . A 310 ALA HN . 27875 1 53 . 1 . 1 6 6 ALA HA H 1 4.369 0 . 1 . . . . A 310 ALA HA . 27875 1 54 . 1 . 1 6 6 ALA HB1 H 1 1.444 0 . 1 . . . . A 310 ALA QB . 27875 1 55 . 1 . 1 6 6 ALA HB2 H 1 1.444 0 . 1 . . . . A 310 ALA QB . 27875 1 56 . 1 . 1 6 6 ALA HB3 H 1 1.444 0 . 1 . . . . A 310 ALA QB . 27875 1 57 . 1 . 1 6 6 ALA C C 13 178.302 0 . 1 . . . . A 310 ALA C . 27875 1 58 . 1 . 1 6 6 ALA CA C 13 52.896 0 . 1 . . . . A 310 ALA CA . 27875 1 59 . 1 . 1 6 6 ALA CB C 13 18.943 0 . 1 . . . . A 310 ALA CB . 27875 1 60 . 1 . 1 6 6 ALA N N 15 125.255 0 . 1 . . . . A 310 ALA N . 27875 1 61 . 1 . 1 7 7 SER H H 1 8.334 0 . 1 . . . . A 311 SER HN . 27875 1 62 . 1 . 1 7 7 SER HA H 1 4.418 0 . 1 . . . . A 311 SER HA . 27875 1 63 . 1 . 1 7 7 SER HB2 H 1 3.884 0 . 2 . . . . A 311 SER QB . 27875 1 64 . 1 . 1 7 7 SER HB3 H 1 3.884 0 . 2 . . . . A 311 SER QB . 27875 1 65 . 1 . 1 7 7 SER C C 13 175.037 0 . 1 . . . . A 311 SER C . 27875 1 66 . 1 . 1 7 7 SER CA C 13 59.123 0 . 1 . . . . A 311 SER CA . 27875 1 67 . 1 . 1 7 7 SER CB C 13 63.708 0 . 1 . . . . A 311 SER CB . 27875 1 68 . 1 . 1 7 7 SER N N 15 114.579 0 . 1 . . . . A 311 SER N . 27875 1 69 . 1 . 1 8 8 SER H H 1 8.17 0 . 1 . . . . A 312 SER HN . 27875 1 70 . 1 . 1 8 8 SER HA H 1 4.457 0 . 1 . . . . A 312 SER HA . 27875 1 71 . 1 . 1 8 8 SER HB2 H 1 3.907 0 . 2 . . . . A 312 SER QB . 27875 1 72 . 1 . 1 8 8 SER HB3 H 1 3.907 0 . 2 . . . . A 312 SER QB . 27875 1 73 . 1 . 1 8 8 SER C C 13 174.362 0 . 1 . . . . A 312 SER C . 27875 1 74 . 1 . 1 8 8 SER CA C 13 58.329 0 . 1 . . . . A 312 SER CA . 27875 1 75 . 1 . 1 8 8 SER CB C 13 63.765 0 . 1 . . . . A 312 SER CB . 27875 1 76 . 1 . 1 8 8 SER N N 15 117.443 0 . 1 . . . . A 312 SER N . 27875 1 77 . 1 . 1 9 9 ALA H H 1 8.142 0 . 1 . . . . A 313 ALA HN . 27875 1 78 . 1 . 1 9 9 ALA HA H 1 4.333 0 . 1 . . . . A 313 ALA HA . 27875 1 79 . 1 . 1 9 9 ALA HB1 H 1 1.368 0 . 1 . . . . A 313 ALA QB . 27875 1 80 . 1 . 1 9 9 ALA HB2 H 1 1.368 0 . 1 . . . . A 313 ALA QB . 27875 1 81 . 1 . 1 9 9 ALA HB3 H 1 1.368 0 . 1 . . . . A 313 ALA QB . 27875 1 82 . 1 . 1 9 9 ALA C C 13 177.656 0 . 1 . . . . A 313 ALA C . 27875 1 83 . 1 . 1 9 9 ALA CA C 13 52.387 0 . 1 . . . . A 313 ALA CA . 27875 1 84 . 1 . 1 9 9 ALA CB C 13 18.874 0 . 1 . . . . A 313 ALA CB . 27875 1 85 . 1 . 1 9 9 ALA N N 15 125.347 0 . 1 . . . . A 313 ALA N . 27875 1 86 . 1 . 1 10 10 MET H H 1 8.187 0 . 1 . . . . A 314 MET HN . 27875 1 87 . 1 . 1 10 10 MET HA H 1 4.461 0 . 1 . . . . A 314 MET HA . 27875 1 88 . 1 . 1 10 10 MET HB2 H 1 2.084 0 . 2 . . . . A 314 MET HB2 . 27875 1 89 . 1 . 1 10 10 MET HB3 H 1 1.996 0 . 2 . . . . A 314 MET HB3 . 27875 1 90 . 1 . 1 10 10 MET HG2 H 1 2.594 0 . 2 . . . . A 314 MET HG2 . 27875 1 91 . 1 . 1 10 10 MET HG3 H 1 2.532 0 . 2 . . . . A 314 MET HG3 . 27875 1 92 . 1 . 1 10 10 MET HE1 H 1 2.097 0 . 1 . . . . A 314 MET QE . 27875 1 93 . 1 . 1 10 10 MET HE2 H 1 2.097 0 . 1 . . . . A 314 MET QE . 27875 1 94 . 1 . 1 10 10 MET HE3 H 1 2.097 0 . 1 . . . . A 314 MET QE . 27875 1 95 . 1 . 1 10 10 MET C C 13 175.956 0 . 1 . . . . A 314 MET C . 27875 1 96 . 1 . 1 10 10 MET CA C 13 55.246 0 . 1 . . . . A 314 MET CA . 27875 1 97 . 1 . 1 10 10 MET CB C 13 32.63 0 . 1 . . . . A 314 MET CB . 27875 1 98 . 1 . 1 10 10 MET CG C 13 31.618 0 . 1 . . . . A 314 MET CG . 27875 1 99 . 1 . 1 10 10 MET CE C 13 16.658 0 . 1 . . . . A 314 MET CE . 27875 1 100 . 1 . 1 10 10 MET N N 15 118.816 0 . 1 . . . . A 314 MET N . 27875 1 101 . 1 . 1 11 11 ASP H H 1 8.335 0 . 1 . . . . A 315 ASP HN . 27875 1 102 . 1 . 1 11 11 ASP HA H 1 4.682 0 . 1 . . . . A 315 ASP HA . 27875 1 103 . 1 . 1 11 11 ASP HB2 H 1 2.756 0 . 2 . . . . A 315 ASP HB2 . 27875 1 104 . 1 . 1 11 11 ASP HB3 H 1 2.653 0 . 2 . . . . A 315 ASP HB3 . 27875 1 105 . 1 . 1 11 11 ASP C C 13 176.548 0 . 1 . . . . A 315 ASP C . 27875 1 106 . 1 . 1 11 11 ASP CA C 13 54.094 0 . 1 . . . . A 315 ASP CA . 27875 1 107 . 1 . 1 11 11 ASP CB C 13 40.839 0 . 1 . . . . A 315 ASP CB . 27875 1 108 . 1 . 1 11 11 ASP N N 15 121.522 0 . 1 . . . . A 315 ASP N . 27875 1 109 . 1 . 1 12 12 THR H H 1 8.152 0 . 1 . . . . A 316 THR HN . 27875 1 110 . 1 . 1 12 12 THR HA H 1 4.413 0 . 1 . . . . A 316 THR HA . 27875 1 111 . 1 . 1 12 12 THR HB H 1 4.352 0 . 1 . . . . A 316 THR HB . 27875 1 112 . 1 . 1 12 12 THR HG21 H 1 1.206 0 . 1 . . . . A 316 THR QG2 . 27875 1 113 . 1 . 1 12 12 THR HG22 H 1 1.206 0 . 1 . . . . A 316 THR QG2 . 27875 1 114 . 1 . 1 12 12 THR HG23 H 1 1.206 0 . 1 . . . . A 316 THR QG2 . 27875 1 115 . 1 . 1 12 12 THR C C 13 174.659 0 . 1 . . . . A 316 THR C . 27875 1 116 . 1 . 1 12 12 THR CA C 13 61.19 0 . 1 . . . . A 316 THR CA . 27875 1 117 . 1 . 1 12 12 THR CB C 13 69.256 0 . 1 . . . . A 316 THR CB . 27875 1 118 . 1 . 1 12 12 THR CG2 C 13 21.132 0 . 1 . . . . A 316 THR CG2 . 27875 1 119 . 1 . 1 12 12 THR N N 15 114.331 0 . 1 . . . . A 316 THR N . 27875 1 120 . 1 . 1 13 13 SER H H 1 8.345 0 . 1 . . . . A 317 SER HN . 27875 1 121 . 1 . 1 13 13 SER HA H 1 4.405 0 . 1 . . . . A 317 SER HA . 27875 1 122 . 1 . 1 13 13 SER HB2 H 1 3.857 0 . 2 . . . . A 317 SER QB . 27875 1 123 . 1 . 1 13 13 SER HB3 H 1 3.857 0 . 2 . . . . A 317 SER QB . 27875 1 124 . 1 . 1 13 13 SER C C 13 174.106 0 . 1 . . . . A 317 SER C . 27875 1 125 . 1 . 1 13 13 SER CA C 13 58.614 0 . 1 . . . . A 317 SER CA . 27875 1 126 . 1 . 1 13 13 SER CB C 13 64.007 0 . 1 . . . . A 317 SER CB . 27875 1 127 . 1 . 1 13 13 SER N N 15 118.267 0 . 1 . . . . A 317 SER N . 27875 1 128 . 1 . 1 14 14 GLU H H 1 8.316 0 . 1 . . . . A 318 GLU HN . 27875 1 129 . 1 . 1 14 14 GLU HA H 1 4.615 0 . 1 . . . . A 318 GLU HA . 27875 1 130 . 1 . 1 14 14 GLU HB2 H 1 2.015 0 . 2 . . . . A 318 GLU HB2 . 27875 1 131 . 1 . 1 14 14 GLU HB3 H 1 1.895 0 . 2 . . . . A 318 GLU HB3 . 27875 1 132 . 1 . 1 14 14 GLU HG2 H 1 2.281 0 . 2 . . . . A 318 GLU QG . 27875 1 133 . 1 . 1 14 14 GLU HG3 H 1 2.281 0 . 2 . . . . A 318 GLU QG . 27875 1 134 . 1 . 1 14 14 GLU C C 13 174.396 0 . 1 . . . . A 318 GLU C . 27875 1 135 . 1 . 1 14 14 GLU CA C 13 54.029 0 . 1 . . . . A 318 GLU CA . 27875 1 136 . 1 . 1 14 14 GLU CB C 13 29.347 0 . 1 . . . . A 318 GLU CB . 27875 1 137 . 1 . 1 14 14 GLU CG C 13 35.715 0 . 1 . . . . A 318 GLU CG . 27875 1 138 . 1 . 1 14 14 GLU N N 15 123.535 0 . 1 . . . . A 318 GLU N . 27875 1 139 . 1 . 1 15 15 PRO HA H 1 4.472 0 . 1 . . . . A 319 PRO HA . 27875 1 140 . 1 . 1 15 15 PRO HB2 H 1 2.307 0 . 2 . . . . A 319 PRO HB2 . 27875 1 141 . 1 . 1 15 15 PRO HB3 H 1 1.945 0 . 2 . . . . A 319 PRO HB3 . 27875 1 142 . 1 . 1 15 15 PRO HG2 H 1 2.012 0 . 2 . . . . A 319 PRO QG . 27875 1 143 . 1 . 1 15 15 PRO HG3 H 1 2.012 0 . 2 . . . . A 319 PRO QG . 27875 1 144 . 1 . 1 15 15 PRO HD2 H 1 3.573 0 . 2 . . . . A 319 PRO HD2 . 27875 1 145 . 1 . 1 15 15 PRO HD3 H 1 3.573 0 . 2 . . . . A 319 PRO HD3 . 27875 1 146 . 1 . 1 15 15 PRO C C 13 176.669 0 . 1 . . . . A 319 PRO C . 27875 1 147 . 1 . 1 15 15 PRO CA C 13 62.929 0 . 1 . . . . A 319 PRO CA . 27875 1 148 . 1 . 1 15 15 PRO CB C 13 31.555 0 . 1 . . . . A 319 PRO CB . 27875 1 149 . 1 . 1 15 15 PRO CG C 13 26.865 0 . 1 . . . . A 319 PRO CG . 27875 1 150 . 1 . 1 15 15 PRO CD C 13 49.393 0 . 1 . . . . A 319 PRO CD . 27875 1 151 . 1 . 1 16 16 ALA H H 1 8.402 0 . 1 . . . . A 320 ALA HN . 27875 1 152 . 1 . 1 16 16 ALA HA H 1 4.291 0 . 1 . . . . A 320 ALA HA . 27875 1 153 . 1 . 1 16 16 ALA HB1 H 1 1.388 0 . 1 . . . . A 320 ALA QB . 27875 1 154 . 1 . 1 16 16 ALA HB2 H 1 1.388 0 . 1 . . . . A 320 ALA QB . 27875 1 155 . 1 . 1 16 16 ALA HB3 H 1 1.388 0 . 1 . . . . A 320 ALA QB . 27875 1 156 . 1 . 1 16 16 ALA C C 13 177.823 0 . 1 . . . . A 320 ALA C . 27875 1 157 . 1 . 1 16 16 ALA CA C 13 52.225 0 . 1 . . . . A 320 ALA CA . 27875 1 158 . 1 . 1 16 16 ALA CB C 13 18.943 0 . 1 . . . . A 320 ALA CB . 27875 1 159 . 1 . 1 16 16 ALA N N 15 124.201 0 . 1 . . . . A 320 ALA N . 27875 1 160 . 1 . 1 17 17 LYS H H 1 8.31 0 . 1 . . . . A 321 LYS HN . 27875 1 161 . 1 . 1 17 17 LYS HA H 1 4.32 0 . 1 . . . . A 321 LYS HA . 27875 1 162 . 1 . 1 17 17 LYS HB2 H 1 1.822 0 . 2 . . . . A 321 LYS HB2 . 27875 1 163 . 1 . 1 17 17 LYS HB3 H 1 1.742 0 . 2 . . . . A 321 LYS HB3 . 27875 1 164 . 1 . 1 17 17 LYS HG2 H 1 1.433 0 . 2 . . . . A 321 LYS QG . 27875 1 165 . 1 . 1 17 17 LYS HG3 H 1 1.433 0 . 2 . . . . A 321 LYS QG . 27875 1 166 . 1 . 1 17 17 LYS HD2 H 1 1.679 0 . 2 . . . . A 321 LYS QD . 27875 1 167 . 1 . 1 17 17 LYS HD3 H 1 1.679 0 . 2 . . . . A 321 LYS QD . 27875 1 168 . 1 . 1 17 17 LYS HE2 H 1 2.99 0 . 2 . . . . A 321 LYS QE . 27875 1 169 . 1 . 1 17 17 LYS HE3 H 1 2.99 0 . 2 . . . . A 321 LYS QE . 27875 1 170 . 1 . 1 17 17 LYS C C 13 176.663 0 . 1 . . . . A 321 LYS C . 27875 1 171 . 1 . 1 17 17 LYS CA C 13 55.803 0 . 1 . . . . A 321 LYS CA . 27875 1 172 . 1 . 1 17 17 LYS CB C 13 32.654 0 . 1 . . . . A 321 LYS CB . 27875 1 173 . 1 . 1 17 17 LYS CG C 13 24.732 0 . 1 . . . . A 321 LYS CG . 27875 1 174 . 1 . 1 17 17 LYS CD C 13 28.693 0 . 1 . . . . A 321 LYS CD . 27875 1 175 . 1 . 1 17 17 LYS CE C 13 41.795 0 . 1 . . . . A 321 LYS CE . 27875 1 176 . 1 . 1 17 17 LYS N N 15 121.032 0 . 1 . . . . A 321 LYS N . 27875 1 177 . 1 . 1 18 18 GLU H H 1 8.501 0 . 1 . . . . A 322 GLU HN . 27875 1 178 . 1 . 1 18 18 GLU HA H 1 4.265 0 . 1 . . . . A 322 GLU HA . 27875 1 179 . 1 . 1 18 18 GLU HB2 H 1 2.051 0 . 2 . . . . A 322 GLU HB2 . 27875 1 180 . 1 . 1 18 18 GLU HB3 H 1 1.927 0 . 2 . . . . A 322 GLU HB3 . 27875 1 181 . 1 . 1 18 18 GLU HG2 H 1 2.272 0 . 2 . . . . A 322 GLU QG . 27875 1 182 . 1 . 1 18 18 GLU HG3 H 1 2.272 0 . 2 . . . . A 322 GLU QG . 27875 1 183 . 1 . 1 18 18 GLU C C 13 176.63 0 . 1 . . . . A 322 GLU C . 27875 1 184 . 1 . 1 18 18 GLU CA C 13 56.236 0 . 1 . . . . A 322 GLU CA . 27875 1 185 . 1 . 1 18 18 GLU CB C 13 29.607 0 . 1 . . . . A 322 GLU CB . 27875 1 186 . 1 . 1 18 18 GLU CG C 13 36.006 0 . 1 . . . . A 322 GLU CG . 27875 1 187 . 1 . 1 18 18 GLU N N 15 122.337 0 . 1 . . . . A 322 GLU N . 27875 1 188 . 1 . 1 19 19 GLU H H 1 8.485 0 . 1 . . . . A 323 GLU HN . 27875 1 189 . 1 . 1 19 19 GLU HA H 1 4.326 0 . 1 . . . . A 323 GLU HA . 27875 1 190 . 1 . 1 19 19 GLU HB2 H 1 2.084 0 . 2 . . . . A 323 GLU HB2 . 27875 1 191 . 1 . 1 19 19 GLU HB3 H 1 1.951 0 . 2 . . . . A 323 GLU HB3 . 27875 1 192 . 1 . 1 19 19 GLU HG2 H 1 2.269 0 . 2 . . . . A 323 GLU QG . 27875 1 193 . 1 . 1 19 19 GLU HG3 H 1 2.269 0 . 2 . . . . A 323 GLU QG . 27875 1 194 . 1 . 1 19 19 GLU C C 13 176.528 0 . 1 . . . . A 323 GLU C . 27875 1 195 . 1 . 1 19 19 GLU CA C 13 56.236 0 . 1 . . . . A 323 GLU CA . 27875 1 196 . 1 . 1 19 19 GLU CB C 13 29.913 0 . 1 . . . . A 323 GLU CB . 27875 1 197 . 1 . 1 19 19 GLU CG C 13 36.006 0 . 1 . . . . A 323 GLU CG . 27875 1 198 . 1 . 1 19 19 GLU N N 15 121.7 0 . 1 . . . . A 323 GLU N . 27875 1 199 . 1 . 1 20 20 ASP H H 1 8.413 0 . 1 . . . . A 324 ASP HN . 27875 1 200 . 1 . 1 20 20 ASP HA H 1 4.601 0 . 1 . . . . A 324 ASP HA . 27875 1 201 . 1 . 1 20 20 ASP HB2 H 1 2.722 0 . 2 . . . . A 324 ASP HB2 . 27875 1 202 . 1 . 1 20 20 ASP HB3 H 1 2.661 0 . 2 . . . . A 324 ASP HB3 . 27875 1 203 . 1 . 1 20 20 ASP C C 13 175.988 0 . 1 . . . . A 324 ASP C . 27875 1 204 . 1 . 1 20 20 ASP CA C 13 54.708 0 . 1 . . . . A 324 ASP CA . 27875 1 205 . 1 . 1 20 20 ASP CB C 13 41.186 0 . 1 . . . . A 324 ASP CB . 27875 1 206 . 1 . 1 20 20 ASP N N 15 121.474 0 . 1 . . . . A 324 ASP N . 27875 1 207 . 1 . 1 21 21 ASP H H 1 8.301 0 . 1 . . . . A 325 ASP HN . 27875 1 208 . 1 . 1 21 21 ASP HA H 1 4.615 0 . 1 . . . . A 325 ASP HA . 27875 1 209 . 1 . 1 21 21 ASP HB2 H 1 2.733 0 . 2 . . . . A 325 ASP HB2 . 27875 1 210 . 1 . 1 21 21 ASP HB3 H 1 2.668 0 . 2 . . . . A 325 ASP HB3 . 27875 1 211 . 1 . 1 21 21 ASP C C 13 175.765 0 . 1 . . . . A 325 ASP C . 27875 1 212 . 1 . 1 21 21 ASP CA C 13 53.632 0 . 1 . . . . A 325 ASP CA . 27875 1 213 . 1 . 1 21 21 ASP CB C 13 40.272 0 . 1 . . . . A 325 ASP CB . 27875 1 214 . 1 . 1 21 21 ASP N N 15 119.628 0 . 1 . . . . A 325 ASP N . 27875 1 215 . 1 . 1 22 22 TYR H H 1 7.902 0 . 1 . . . . A 326 TYR HN . 27875 1 216 . 1 . 1 22 22 TYR HA H 1 4.314 0 . 1 . . . . A 326 TYR HA . 27875 1 217 . 1 . 1 22 22 TYR HB2 H 1 3.115 0 . 2 . . . . A 326 TYR HB2 . 27875 1 218 . 1 . 1 22 22 TYR HB3 H 1 2.656 0 . 2 . . . . A 326 TYR HB3 . 27875 1 219 . 1 . 1 22 22 TYR HD1 H 1 6.96 0 . 3 . . . . A 326 TYR QD . 27875 1 220 . 1 . 1 22 22 TYR HD2 H 1 6.96 0 . 3 . . . . A 326 TYR QD . 27875 1 221 . 1 . 1 22 22 TYR HE1 H 1 6.631 0 . 3 . . . . A 326 TYR QE . 27875 1 222 . 1 . 1 22 22 TYR HE2 H 1 6.631 0 . 3 . . . . A 326 TYR QE . 27875 1 223 . 1 . 1 22 22 TYR C C 13 173.841 0 . 1 . . . . A 326 TYR C . 27875 1 224 . 1 . 1 22 22 TYR CA C 13 58.897 0 . 1 . . . . A 326 TYR CA . 27875 1 225 . 1 . 1 22 22 TYR CB C 13 39.197 0 . 1 . . . . A 326 TYR CB . 27875 1 226 . 1 . 1 22 22 TYR N N 15 121.722 0 . 1 . . . . A 326 TYR N . 27875 1 227 . 1 . 1 23 23 ASP H H 1 7.634 0 . 1 . . . . A 327 ASP HN . 27875 1 228 . 1 . 1 23 23 ASP HA H 1 4.603 0 . 1 . . . . A 327 ASP HA . 27875 1 229 . 1 . 1 23 23 ASP HB2 H 1 2.532 0 . 2 . . . . A 327 ASP HB2 . 27875 1 230 . 1 . 1 23 23 ASP HB3 H 1 2.417 0 . 2 . . . . A 327 ASP HB3 . 27875 1 231 . 1 . 1 23 23 ASP C C 13 176.778 0 . 1 . . . . A 327 ASP C . 27875 1 232 . 1 . 1 23 23 ASP CA C 13 51.707 0 . 1 . . . . A 327 ASP CA . 27875 1 233 . 1 . 1 23 23 ASP CB C 13 42.405 0 . 1 . . . . A 327 ASP CB . 27875 1 234 . 1 . 1 23 23 ASP N N 15 127.179 0 . 1 . . . . A 327 ASP N . 27875 1 235 . 1 . 1 24 24 VAL H H 1 8.425 0 . 1 . . . . A 328 VAL HN . 27875 1 236 . 1 . 1 24 24 VAL HA H 1 3.735 0 . 1 . . . . A 328 VAL HA . 27875 1 237 . 1 . 1 24 24 VAL HB H 1 2.087 0 . 1 . . . . A 328 VAL HB . 27875 1 238 . 1 . 1 24 24 VAL HG11 H 1 1.13 0 . 2 . . . . A 328 VAL QG1 . 27875 1 239 . 1 . 1 24 24 VAL HG12 H 1 1.13 0 . 2 . . . . A 328 VAL QG1 . 27875 1 240 . 1 . 1 24 24 VAL HG13 H 1 1.13 0 . 2 . . . . A 328 VAL QG1 . 27875 1 241 . 1 . 1 24 24 VAL HG21 H 1 1.009 0 . 2 . . . . A 328 VAL QG2 . 27875 1 242 . 1 . 1 24 24 VAL HG22 H 1 1.009 0 . 2 . . . . A 328 VAL QG2 . 27875 1 243 . 1 . 1 24 24 VAL HG23 H 1 1.009 0 . 2 . . . . A 328 VAL QG2 . 27875 1 244 . 1 . 1 24 24 VAL C C 13 176.316 0 . 1 . . . . A 328 VAL C . 27875 1 245 . 1 . 1 24 24 VAL CA C 13 63.658 0 . 1 . . . . A 328 VAL CA . 27875 1 246 . 1 . 1 24 24 VAL CB C 13 31.74 0 . 1 . . . . A 328 VAL CB . 27875 1 247 . 1 . 1 24 24 VAL CG1 C 13 21.076 0 . 2 . . . . A 328 VAL CG1 . 27875 1 248 . 1 . 1 24 24 VAL CG2 C 13 21.38 0 . 2 . . . . A 328 VAL CG2 . 27875 1 249 . 1 . 1 24 24 VAL N N 15 125.727 0 . 1 . . . . A 328 VAL N . 27875 1 250 . 1 . 1 25 25 MET H H 1 7.988 0 . 1 . . . . A 329 MET HN . 27875 1 251 . 1 . 1 25 25 MET HA H 1 4.51 0 . 1 . . . . A 329 MET HA . 27875 1 252 . 1 . 1 25 25 MET HB2 H 1 2.186 0 . 2 . . . . A 329 MET HB2 . 27875 1 253 . 1 . 1 25 25 MET HB3 H 1 2.089 0 . 2 . . . . A 329 MET HB3 . 27875 1 254 . 1 . 1 25 25 MET HG2 H 1 2.888 0 . 2 . . . . A 329 MET HG2 . 27875 1 255 . 1 . 1 25 25 MET HG3 H 1 2.58 0 . 2 . . . . A 329 MET HG3 . 27875 1 256 . 1 . 1 25 25 MET HE1 H 1 2.007 0 . 1 . . . . A 329 MET QE . 27875 1 257 . 1 . 1 25 25 MET HE2 H 1 2.007 0 . 1 . . . . A 329 MET QE . 27875 1 258 . 1 . 1 25 25 MET HE3 H 1 2.007 0 . 1 . . . . A 329 MET QE . 27875 1 259 . 1 . 1 25 25 MET C C 13 177.547 0 . 1 . . . . A 329 MET C . 27875 1 260 . 1 . 1 25 25 MET CA C 13 55.2 0 . 1 . . . . A 329 MET CA . 27875 1 261 . 1 . 1 25 25 MET CB C 13 29.403 0 . 1 . . . . A 329 MET CB . 27875 1 262 . 1 . 1 25 25 MET CG C 13 32.349 0 . 1 . . . . A 329 MET CG . 27875 1 263 . 1 . 1 25 25 MET CE C 13 16.434 0 . 1 . . . . A 329 MET CE . 27875 1 264 . 1 . 1 25 25 MET N N 15 114.438 0 . 1 . . . . A 329 MET N . 27875 1 265 . 1 . 1 26 26 GLN H H 1 7.497 0 . 1 . . . . A 330 GLN HN . 27875 1 266 . 1 . 1 26 26 GLN HA H 1 4.504 0 . 1 . . . . A 330 GLN HA . 27875 1 267 . 1 . 1 26 26 GLN HB2 H 1 2.482 0 . 2 . . . . A 330 GLN HB2 . 27875 1 268 . 1 . 1 26 26 GLN HB3 H 1 1.839 0 . 2 . . . . A 330 GLN HB3 . 27875 1 269 . 1 . 1 26 26 GLN HG2 H 1 2.296 0 . 2 . . . . A 330 GLN HG2 . 27875 1 270 . 1 . 1 26 26 GLN HG3 H 1 2.181 0 . 2 . . . . A 330 GLN HG3 . 27875 1 271 . 1 . 1 26 26 GLN HE21 H 1 7.696 0 . 2 . . . . A 330 GLN HE21 . 27875 1 272 . 1 . 1 26 26 GLN HE22 H 1 6.8 0 . 2 . . . . A 330 GLN HE22 . 27875 1 273 . 1 . 1 26 26 GLN C C 13 174.11 0 . 1 . . . . A 330 GLN C . 27875 1 274 . 1 . 1 26 26 GLN CA C 13 53.802 0 . 1 . . . . A 330 GLN CA . 27875 1 275 . 1 . 1 26 26 GLN CB C 13 28.084 0 . 1 . . . . A 330 GLN CB . 27875 1 276 . 1 . 1 26 26 GLN CG C 13 33.568 0 . 1 . . . . A 330 GLN CG . 27875 1 277 . 1 . 1 26 26 GLN N N 15 115.023 0 . 1 . . . . A 330 GLN N . 27875 1 278 . 1 . 1 26 26 GLN NE2 N 15 112.624 0 . 1 . . . . A 330 GLN NE2 . 27875 1 279 . 1 . 1 27 27 ASP H H 1 7.559 0 . 1 . . . . A 331 ASP HN . 27875 1 280 . 1 . 1 27 27 ASP HA H 1 5.289 0 . 1 . . . . A 331 ASP HA . 27875 1 281 . 1 . 1 27 27 ASP HB2 H 1 3.619 0 . 2 . . . . A 331 ASP HB2 . 27875 1 282 . 1 . 1 27 27 ASP HB3 H 1 2.419 0 . 2 . . . . A 331 ASP HB3 . 27875 1 283 . 1 . 1 27 27 ASP C C 13 173.053 0 . 1 . . . . A 331 ASP C . 27875 1 284 . 1 . 1 27 27 ASP CA C 13 50.261 0 . 1 . . . . A 331 ASP CA . 27875 1 285 . 1 . 1 27 27 ASP CB C 13 41.065 0 . 1 . . . . A 331 ASP CB . 27875 1 286 . 1 . 1 27 27 ASP N N 15 119.675 0 . 1 . . . . A 331 ASP N . 27875 1 287 . 1 . 1 28 28 PRO HA H 1 4.295 0 . 1 . . . . A 332 PRO HA . 27875 1 288 . 1 . 1 28 28 PRO HB2 H 1 2.295 0 . 2 . . . . A 332 PRO HB2 . 27875 1 289 . 1 . 1 28 28 PRO HB3 H 1 2.066 0 . 2 . . . . A 332 PRO HB3 . 27875 1 290 . 1 . 1 28 28 PRO HG2 H 1 2.151 0 . 2 . . . . A 332 PRO HG2 . 27875 1 291 . 1 . 1 28 28 PRO HG3 H 1 2.015 0 . 2 . . . . A 332 PRO HG3 . 27875 1 292 . 1 . 1 28 28 PRO HD2 H 1 4.096 0 . 2 . . . . A 332 PRO HD2 . 27875 1 293 . 1 . 1 28 28 PRO HD3 H 1 3.494 0 . 2 . . . . A 332 PRO HD3 . 27875 1 294 . 1 . 1 28 28 PRO C C 13 178.653 0 . 1 . . . . A 332 PRO C . 27875 1 295 . 1 . 1 28 28 PRO CA C 13 64.91 0 . 1 . . . . A 332 PRO CA . 27875 1 296 . 1 . 1 28 28 PRO CB C 13 31.435 0 . 1 . . . . A 332 PRO CB . 27875 1 297 . 1 . 1 28 28 PRO CG C 13 26.685 0 . 1 . . . . A 332 PRO CG . 27875 1 298 . 1 . 1 28 28 PRO CD C 13 50.579 0 . 1 . . . . A 332 PRO CD . 27875 1 299 . 1 . 1 29 29 GLU H H 1 8.459 0 . 1 . . . . A 333 GLU HN . 27875 1 300 . 1 . 1 29 29 GLU HA H 1 4.051 0 . 1 . . . . A 333 GLU HA . 27875 1 301 . 1 . 1 29 29 GLU HB2 H 1 2.15 0 . 2 . . . . A 333 GLU HB2 . 27875 1 302 . 1 . 1 29 29 GLU HB3 H 1 2.076 0 . 2 . . . . A 333 GLU HB3 . 27875 1 303 . 1 . 1 29 29 GLU HG2 H 1 2.344 0 . 2 . . . . A 333 GLU HG2 . 27875 1 304 . 1 . 1 29 29 GLU HG3 H 1 2.288 0 . 2 . . . . A 333 GLU HG3 . 27875 1 305 . 1 . 1 29 29 GLU C C 13 179.621 0 . 1 . . . . A 333 GLU C . 27875 1 306 . 1 . 1 29 29 GLU CA C 13 59.576 0 . 1 . . . . A 333 GLU CA . 27875 1 307 . 1 . 1 29 29 GLU CB C 13 28.894 0 . 1 . . . . A 333 GLU CB . 27875 1 308 . 1 . 1 29 29 GLU CG C 13 36.615 0 . 1 . . . . A 333 GLU CG . 27875 1 309 . 1 . 1 29 29 GLU N N 15 118.24 0 . 1 . . . . A 333 GLU N . 27875 1 310 . 1 . 1 30 30 PHE H H 1 7.551 0 . 1 . . . . A 334 PHE HN . 27875 1 311 . 1 . 1 30 30 PHE HA H 1 4.307 0 . 1 . . . . A 334 PHE HA . 27875 1 312 . 1 . 1 30 30 PHE HB2 H 1 3.263 0 . 2 . . . . A 334 PHE HB2 . 27875 1 313 . 1 . 1 30 30 PHE HB3 H 1 2.992 0 . 2 . . . . A 334 PHE HB3 . 27875 1 314 . 1 . 1 30 30 PHE HD1 H 1 7.173 0 . 3 . . . . A 334 PHE QD . 27875 1 315 . 1 . 1 30 30 PHE HD2 H 1 7.173 0 . 3 . . . . A 334 PHE QD . 27875 1 316 . 1 . 1 30 30 PHE HE1 H 1 7.238 0 . 3 . . . . A 334 PHE QE . 27875 1 317 . 1 . 1 30 30 PHE HE2 H 1 7.238 0 . 3 . . . . A 334 PHE QE . 27875 1 318 . 1 . 1 30 30 PHE C C 13 178.204 0 . 1 . . . . A 334 PHE C . 27875 1 319 . 1 . 1 30 30 PHE CA C 13 60.199 0 . 1 . . . . A 334 PHE CA . 27875 1 320 . 1 . 1 30 30 PHE CB C 13 39.367 0 . 1 . . . . A 334 PHE CB . 27875 1 321 . 1 . 1 30 30 PHE N N 15 120.527 0 . 1 . . . . A 334 PHE N . 27875 1 322 . 1 . 1 31 31 LEU H H 1 8.297 0 . 1 . . . . A 335 LEU HN . 27875 1 323 . 1 . 1 31 31 LEU HA H 1 3.487 0 . 1 . . . . A 335 LEU HA . 27875 1 324 . 1 . 1 31 31 LEU HB2 H 1 1.951 0 . 2 . . . . A 335 LEU HB2 . 27875 1 325 . 1 . 1 31 31 LEU HB3 H 1 1.266 0 . 2 . . . . A 335 LEU HB3 . 27875 1 326 . 1 . 1 31 31 LEU HG H 1 1.978 0 . 1 . . . . A 335 LEU HG . 27875 1 327 . 1 . 1 31 31 LEU HD11 H 1 0.762 0 . 2 . . . . A 335 LEU QD1 . 27875 1 328 . 1 . 1 31 31 LEU HD12 H 1 0.762 0 . 2 . . . . A 335 LEU QD1 . 27875 1 329 . 1 . 1 31 31 LEU HD13 H 1 0.762 0 . 2 . . . . A 335 LEU QD1 . 27875 1 330 . 1 . 1 31 31 LEU HD21 H 1 0.946 0 . 2 . . . . A 335 LEU QD2 . 27875 1 331 . 1 . 1 31 31 LEU HD22 H 1 0.946 0 . 2 . . . . A 335 LEU QD2 . 27875 1 332 . 1 . 1 31 31 LEU HD23 H 1 0.946 0 . 2 . . . . A 335 LEU QD2 . 27875 1 333 . 1 . 1 31 31 LEU C C 13 178.448 0 . 1 . . . . A 335 LEU C . 27875 1 334 . 1 . 1 31 31 LEU CA C 13 58.047 0 . 1 . . . . A 335 LEU CA . 27875 1 335 . 1 . 1 31 31 LEU CB C 13 41.178 0 . 1 . . . . A 335 LEU CB . 27875 1 336 . 1 . 1 31 31 LEU CG C 13 26.255 0 . 1 . . . . A 335 LEU CG . 27875 1 337 . 1 . 1 31 31 LEU CD1 C 13 22.294 0 . 2 . . . . A 335 LEU CD1 . 27875 1 338 . 1 . 1 31 31 LEU CD2 C 13 25.646 0 . 2 . . . . A 335 LEU CD2 . 27875 1 339 . 1 . 1 31 31 LEU N N 15 119.93 0 . 1 . . . . A 335 LEU N . 27875 1 340 . 1 . 1 32 32 GLN H H 1 8.517 0 . 1 . . . . A 336 GLN HN . 27875 1 341 . 1 . 1 32 32 GLN HA H 1 3.68 0 . 1 . . . . A 336 GLN HA . 27875 1 342 . 1 . 1 32 32 GLN HB2 H 1 1.971 0 . 2 . . . . A 336 GLN QB . 27875 1 343 . 1 . 1 32 32 GLN HB3 H 1 1.971 0 . 2 . . . . A 336 GLN QB . 27875 1 344 . 1 . 1 32 32 GLN HG2 H 1 2.27 0 . 2 . . . . A 336 GLN HG2 . 27875 1 345 . 1 . 1 32 32 GLN HG3 H 1 2.181 0 . 2 . . . . A 336 GLN HG3 . 27875 1 346 . 1 . 1 32 32 GLN HE21 H 1 7.795 0 . 2 . . . . A 336 GLN HE21 . 27875 1 347 . 1 . 1 32 32 GLN HE22 H 1 6.684 0 . 2 . . . . A 336 GLN HE22 . 27875 1 348 . 1 . 1 32 32 GLN C C 13 177.148 0 . 1 . . . . A 336 GLN C . 27875 1 349 . 1 . 1 32 32 GLN CA C 13 59.29 0 . 1 . . . . A 336 GLN CA . 27875 1 350 . 1 . 1 32 32 GLN CB C 13 27.17 0 . 1 . . . . A 336 GLN CB . 27875 1 351 . 1 . 1 32 32 GLN CG C 13 32.349 0 . 1 . . . . A 336 GLN CG . 27875 1 352 . 1 . 1 32 32 GLN N N 15 118.113 0 . 1 . . . . A 336 GLN N . 27875 1 353 . 1 . 1 32 32 GLN NE2 N 15 110.898 0 . 1 . . . . A 336 GLN NE2 . 27875 1 354 . 1 . 1 33 33 SER H H 1 7.267 0 . 1 . . . . A 337 SER HN . 27875 1 355 . 1 . 1 33 33 SER HA H 1 4.187 0 . 1 . . . . A 337 SER HA . 27875 1 356 . 1 . 1 33 33 SER HB2 H 1 3.924 0 . 2 . . . . A 337 SER HB2 . 27875 1 357 . 1 . 1 33 33 SER HB3 H 1 3.89 0 . 2 . . . . A 337 SER HB3 . 27875 1 358 . 1 . 1 33 33 SER C C 13 176.18 0 . 1 . . . . A 337 SER C . 27875 1 359 . 1 . 1 33 33 SER CA C 13 60.757 0 . 1 . . . . A 337 SER CA . 27875 1 360 . 1 . 1 33 33 SER CB C 13 62.846 0 . 1 . . . . A 337 SER CB . 27875 1 361 . 1 . 1 33 33 SER N N 15 113.495 0 . 1 . . . . A 337 SER N . 27875 1 362 . 1 . 1 34 34 VAL H H 1 7.427 0 . 1 . . . . A 338 VAL HN . 27875 1 363 . 1 . 1 34 34 VAL HA H 1 3.494 0 . 1 . . . . A 338 VAL HA . 27875 1 364 . 1 . 1 34 34 VAL HB H 1 1.894 0 . 1 . . . . A 338 VAL HB . 27875 1 365 . 1 . 1 34 34 VAL HG11 H 1 0.752 0 . 2 . . . . A 338 VAL QG1 . 27875 1 366 . 1 . 1 34 34 VAL HG12 H 1 0.752 0 . 2 . . . . A 338 VAL QG1 . 27875 1 367 . 1 . 1 34 34 VAL HG13 H 1 0.752 0 . 2 . . . . A 338 VAL QG1 . 27875 1 368 . 1 . 1 34 34 VAL HG21 H 1 0.25 0 . 2 . . . . A 338 VAL QG2 . 27875 1 369 . 1 . 1 34 34 VAL HG22 H 1 0.25 0 . 2 . . . . A 338 VAL QG2 . 27875 1 370 . 1 . 1 34 34 VAL HG23 H 1 0.25 0 . 2 . . . . A 338 VAL QG2 . 27875 1 371 . 1 . 1 34 34 VAL C C 13 178.605 0 . 1 . . . . A 338 VAL C . 27875 1 372 . 1 . 1 34 34 VAL CA C 13 65.124 0 . 1 . . . . A 338 VAL CA . 27875 1 373 . 1 . 1 34 34 VAL CB C 13 31.131 0 . 1 . . . . A 338 VAL CB . 27875 1 374 . 1 . 1 34 34 VAL CG1 C 13 21.076 0 . 2 . . . . A 338 VAL CG1 . 27875 1 375 . 1 . 1 34 34 VAL CG2 C 13 22.599 0 . 2 . . . . A 338 VAL CG2 . 27875 1 376 . 1 . 1 34 34 VAL N N 15 122.002 0 . 1 . . . . A 338 VAL N . 27875 1 377 . 1 . 1 35 35 LEU H H 1 7.896 0 . 1 . . . . A 339 LEU HN . 27875 1 378 . 1 . 1 35 35 LEU HA H 1 3.729 0 . 1 . . . . A 339 LEU HA . 27875 1 379 . 1 . 1 35 35 LEU HB2 H 1 1.702 0 . 2 . . . . A 339 LEU HB2 . 27875 1 380 . 1 . 1 35 35 LEU HB3 H 1 1.269 0 . 2 . . . . A 339 LEU HB3 . 27875 1 381 . 1 . 1 35 35 LEU HG H 1 1.748 0 . 1 . . . . A 339 LEU HG . 27875 1 382 . 1 . 1 35 35 LEU HD11 H 1 0.758 0 . 2 . . . . A 339 LEU QD1 . 27875 1 383 . 1 . 1 35 35 LEU HD12 H 1 0.758 0 . 2 . . . . A 339 LEU QD1 . 27875 1 384 . 1 . 1 35 35 LEU HD13 H 1 0.758 0 . 2 . . . . A 339 LEU QD1 . 27875 1 385 . 1 . 1 35 35 LEU HD21 H 1 0.719 0 . 2 . . . . A 339 LEU QD2 . 27875 1 386 . 1 . 1 35 35 LEU HD22 H 1 0.719 0 . 2 . . . . A 339 LEU QD2 . 27875 1 387 . 1 . 1 35 35 LEU HD23 H 1 0.719 0 . 2 . . . . A 339 LEU QD2 . 27875 1 388 . 1 . 1 35 35 LEU C C 13 178.292 0 . 1 . . . . A 339 LEU C . 27875 1 389 . 1 . 1 35 35 LEU CA C 13 57.763 0 . 1 . . . . A 339 LEU CA . 27875 1 390 . 1 . 1 35 35 LEU CB C 13 41.405 0 . 1 . . . . A 339 LEU CB . 27875 1 391 . 1 . 1 35 35 LEU CG C 13 26.865 0 . 1 . . . . A 339 LEU CG . 27875 1 392 . 1 . 1 35 35 LEU CD1 C 13 25.037 0 . 2 . . . . A 339 LEU CD1 . 27875 1 393 . 1 . 1 35 35 LEU CD2 C 13 23.513 0 . 2 . . . . A 339 LEU CD2 . 27875 1 394 . 1 . 1 35 35 LEU N N 15 118.248 0 . 1 . . . . A 339 LEU N . 27875 1 395 . 1 . 1 36 36 GLU H H 1 7.985 0 . 1 . . . . A 340 GLU HN . 27875 1 396 . 1 . 1 36 36 GLU HA H 1 3.759 0 . 1 . . . . A 340 GLU HA . 27875 1 397 . 1 . 1 36 36 GLU HB2 H 1 1.954 0 . 2 . . . . A 340 GLU HB2 . 27875 1 398 . 1 . 1 36 36 GLU HB3 H 1 1.914 0 . 2 . . . . A 340 GLU HB3 . 27875 1 399 . 1 . 1 36 36 GLU HG2 H 1 2.443 0 . 2 . . . . A 340 GLU HG2 . 27875 1 400 . 1 . 1 36 36 GLU HG3 H 1 2.14 0 . 2 . . . . A 340 GLU HG3 . 27875 1 401 . 1 . 1 36 36 GLU C C 13 175.965 0 . 1 . . . . A 340 GLU C . 27875 1 402 . 1 . 1 36 36 GLU CA C 13 57.951 0 . 1 . . . . A 340 GLU CA . 27875 1 403 . 1 . 1 36 36 GLU CB C 13 29.302 0 . 1 . . . . A 340 GLU CB . 27875 1 404 . 1 . 1 36 36 GLU CG C 13 36.615 0 . 1 . . . . A 340 GLU CG . 27875 1 405 . 1 . 1 36 36 GLU N N 15 111.157 0 . 1 . . . . A 340 GLU N . 27875 1 406 . 1 . 1 37 37 ASN H H 1 7.021 0 . 1 . . . . A 341 ASN HN . 27875 1 407 . 1 . 1 37 37 ASN HA H 1 4.801 0 . 1 . . . . A 341 ASN HA . 27875 1 408 . 1 . 1 37 37 ASN HB2 H 1 2.901 0 . 2 . . . . A 341 ASN HB2 . 27875 1 409 . 1 . 1 37 37 ASN HB3 H 1 2.594 0 . 2 . . . . A 341 ASN HB3 . 27875 1 410 . 1 . 1 37 37 ASN HD21 H 1 8.117 0 . 2 . . . . A 341 ASN HD21 . 27875 1 411 . 1 . 1 37 37 ASN HD22 H 1 7.037 0 . 2 . . . . A 341 ASN HD22 . 27875 1 412 . 1 . 1 37 37 ASN C C 13 174.822 0 . 1 . . . . A 341 ASN C . 27875 1 413 . 1 . 1 37 37 ASN CA C 13 52.767 0 . 1 . . . . A 341 ASN CA . 27875 1 414 . 1 . 1 37 37 ASN CB C 13 40.272 0 . 1 . . . . A 341 ASN CB . 27875 1 415 . 1 . 1 37 37 ASN N N 15 113.741 0 . 1 . . . . A 341 ASN N . 27875 1 416 . 1 . 1 37 37 ASN ND2 N 15 116.062 0 . 1 . . . . A 341 ASN ND2 . 27875 1 417 . 1 . 1 38 38 LEU H H 1 7.042 0 . 1 . . . . A 342 LEU HN . 27875 1 418 . 1 . 1 38 38 LEU HA H 1 4.33 0 . 1 . . . . A 342 LEU HA . 27875 1 419 . 1 . 1 38 38 LEU HB2 H 1 1.35 0 . 2 . . . . A 342 LEU HB2 . 27875 1 420 . 1 . 1 38 38 LEU HB3 H 1 0.126 0 . 2 . . . . A 342 LEU HB3 . 27875 1 421 . 1 . 1 38 38 LEU HG H 1 2.032 0 . 1 . . . . A 342 LEU HG . 27875 1 422 . 1 . 1 38 38 LEU HD11 H 1 0.624 0 . 2 . . . . A 342 LEU QD1 . 27875 1 423 . 1 . 1 38 38 LEU HD12 H 1 0.624 0 . 2 . . . . A 342 LEU QD1 . 27875 1 424 . 1 . 1 38 38 LEU HD13 H 1 0.624 0 . 2 . . . . A 342 LEU QD1 . 27875 1 425 . 1 . 1 38 38 LEU HD21 H 1 0.384 0 . 2 . . . . A 342 LEU QD2 . 27875 1 426 . 1 . 1 38 38 LEU HD22 H 1 0.384 0 . 2 . . . . A 342 LEU QD2 . 27875 1 427 . 1 . 1 38 38 LEU HD23 H 1 0.384 0 . 2 . . . . A 342 LEU QD2 . 27875 1 428 . 1 . 1 38 38 LEU C C 13 175.056 0 . 1 . . . . A 342 LEU C . 27875 1 429 . 1 . 1 38 38 LEU CA C 13 52.953 0 . 1 . . . . A 342 LEU CA . 27875 1 430 . 1 . 1 38 38 LEU CB C 13 38.748 0 . 1 . . . . A 342 LEU CB . 27875 1 431 . 1 . 1 38 38 LEU CG C 13 24.732 0 . 1 . . . . A 342 LEU CG . 27875 1 432 . 1 . 1 38 38 LEU CD1 C 13 22.294 0 . 2 . . . . A 342 LEU CD1 . 27875 1 433 . 1 . 1 38 38 LEU CD2 C 13 24.732 0 . 2 . . . . A 342 LEU CD2 . 27875 1 434 . 1 . 1 38 38 LEU N N 15 124.175 0 . 1 . . . . A 342 LEU N . 27875 1 435 . 1 . 1 39 39 PRO HA H 1 4.389 0 . 1 . . . . A 343 PRO HA . 27875 1 436 . 1 . 1 39 39 PRO HB2 H 1 2.291 0 . 2 . . . . A 343 PRO HB2 . 27875 1 437 . 1 . 1 39 39 PRO HB3 H 1 2.152 0 . 2 . . . . A 343 PRO HB3 . 27875 1 438 . 1 . 1 39 39 PRO HG2 H 1 2.435 0 . 2 . . . . A 343 PRO HG2 . 27875 1 439 . 1 . 1 39 39 PRO HG3 H 1 2.225 0 . 2 . . . . A 343 PRO HG3 . 27875 1 440 . 1 . 1 39 39 PRO HD2 H 1 3.923 0 . 2 . . . . A 343 PRO HD2 . 27875 1 441 . 1 . 1 39 39 PRO HD3 H 1 3.599 0 . 2 . . . . A 343 PRO HD3 . 27875 1 442 . 1 . 1 39 39 PRO C C 13 178.478 0 . 1 . . . . A 343 PRO C . 27875 1 443 . 1 . 1 39 39 PRO CA C 13 63.595 0 . 1 . . . . A 343 PRO CA . 27875 1 444 . 1 . 1 39 39 PRO CB C 13 30.826 0 . 1 . . . . A 343 PRO CB . 27875 1 445 . 1 . 1 39 39 PRO CG C 13 27.474 0 . 1 . . . . A 343 PRO CG . 27875 1 446 . 1 . 1 39 39 PRO CD C 13 49.716 0 . 1 . . . . A 343 PRO CD . 27875 1 447 . 1 . 1 40 40 GLY H H 1 9.058 0 . 1 . . . . A 344 GLY HN . 27875 1 448 . 1 . 1 40 40 GLY HA2 H 1 4.272 0 . 2 . . . . A 344 GLY HA1 . 27875 1 449 . 1 . 1 40 40 GLY HA3 H 1 3.717 0 . 2 . . . . A 344 GLY HA2 . 27875 1 450 . 1 . 1 40 40 GLY C C 13 174.362 0 . 1 . . . . A 344 GLY C . 27875 1 451 . 1 . 1 40 40 GLY CA C 13 44.842 0 . 1 . . . . A 344 GLY CA . 27875 1 452 . 1 . 1 40 40 GLY N N 15 114.831 0 . 1 . . . . A 344 GLY N . 27875 1 453 . 1 . 1 41 41 VAL H H 1 7.305 0 . 1 . . . . A 345 VAL HN . 27875 1 454 . 1 . 1 41 41 VAL HA H 1 3.927 0 . 1 . . . . A 345 VAL HA . 27875 1 455 . 1 . 1 41 41 VAL HB H 1 2.003 0 . 1 . . . . A 345 VAL HB . 27875 1 456 . 1 . 1 41 41 VAL HG11 H 1 0.781 0 . 2 . . . . A 345 VAL QG1 . 27875 1 457 . 1 . 1 41 41 VAL HG12 H 1 0.781 0 . 2 . . . . A 345 VAL QG1 . 27875 1 458 . 1 . 1 41 41 VAL HG13 H 1 0.781 0 . 2 . . . . A 345 VAL QG1 . 27875 1 459 . 1 . 1 41 41 VAL HG21 H 1 0.798 0 . 2 . . . . A 345 VAL QG2 . 27875 1 460 . 1 . 1 41 41 VAL HG22 H 1 0.798 0 . 2 . . . . A 345 VAL QG2 . 27875 1 461 . 1 . 1 41 41 VAL HG23 H 1 0.798 0 . 2 . . . . A 345 VAL QG2 . 27875 1 462 . 1 . 1 41 41 VAL C C 13 175.614 0 . 1 . . . . A 345 VAL C . 27875 1 463 . 1 . 1 41 41 VAL CA C 13 62.237 0 . 1 . . . . A 345 VAL CA . 27875 1 464 . 1 . 1 41 41 VAL CB C 13 32.349 0 . 1 . . . . A 345 VAL CB . 27875 1 465 . 1 . 1 41 41 VAL CG1 C 13 21.076 0 . 2 . . . . A 345 VAL CG1 . 27875 1 466 . 1 . 1 41 41 VAL CG2 C 13 23.513 0 . 2 . . . . A 345 VAL CG2 . 27875 1 467 . 1 . 1 41 41 VAL N N 15 121.39 0 . 1 . . . . A 345 VAL N . 27875 1 468 . 1 . 1 42 42 ASP H H 1 9.136 0 . 1 . . . . A 346 ASP HN . 27875 1 469 . 1 . 1 42 42 ASP HA H 1 5.146 0 . 1 . . . . A 346 ASP HA . 27875 1 470 . 1 . 1 42 42 ASP HB2 H 1 2.968 0 . 2 . . . . A 346 ASP HB2 . 27875 1 471 . 1 . 1 42 42 ASP HB3 H 1 2.792 0 . 2 . . . . A 346 ASP HB3 . 27875 1 472 . 1 . 1 42 42 ASP C C 13 175.086 0 . 1 . . . . A 346 ASP C . 27875 1 473 . 1 . 1 42 42 ASP CA C 13 50.188 0 . 1 . . . . A 346 ASP CA . 27875 1 474 . 1 . 1 42 42 ASP CB C 13 41.795 0 . 1 . . . . A 346 ASP CB . 27875 1 475 . 1 . 1 42 42 ASP N N 15 126.751 0 . 1 . . . . A 346 ASP N . 27875 1 476 . 1 . 1 43 43 PRO HA H 1 4.173 0 . 1 . . . . A 347 PRO HA . 27875 1 477 . 1 . 1 43 43 PRO HB2 H 1 2.19 0 . 2 . . . . A 347 PRO HB2 . 27875 1 478 . 1 . 1 43 43 PRO HB3 H 1 1.913 0 . 2 . . . . A 347 PRO HB3 . 27875 1 479 . 1 . 1 43 43 PRO HG2 H 1 1.97 0 . 2 . . . . A 347 PRO QG . 27875 1 480 . 1 . 1 43 43 PRO HG3 H 1 1.97 0 . 2 . . . . A 347 PRO QG . 27875 1 481 . 1 . 1 43 43 PRO HD2 H 1 3.955 0 . 2 . . . . A 347 PRO QD . 27875 1 482 . 1 . 1 43 43 PRO HD3 H 1 3.955 0 . 2 . . . . A 347 PRO QD . 27875 1 483 . 1 . 1 43 43 PRO C C 13 175.926 0 . 1 . . . . A 347 PRO C . 27875 1 484 . 1 . 1 43 43 PRO CA C 13 63.502 0 . 1 . . . . A 347 PRO CA . 27875 1 485 . 1 . 1 43 43 PRO CB C 13 31.843 0 . 1 . . . . A 347 PRO CB . 27875 1 486 . 1 . 1 43 43 PRO CG C 13 26.56 0 . 1 . . . . A 347 PRO CG . 27875 1 487 . 1 . 1 43 43 PRO CD C 13 50.555 0 . 1 . . . . A 347 PRO CD . 27875 1 488 . 1 . 1 44 44 ASN H H 1 8.131 0 . 1 . . . . A 348 ASN HN . 27875 1 489 . 1 . 1 44 44 ASN HA H 1 4.625 0 . 1 . . . . A 348 ASN HA . 27875 1 490 . 1 . 1 44 44 ASN HB2 H 1 2.856 0 . 2 . . . . A 348 ASN HB2 . 27875 1 491 . 1 . 1 44 44 ASN HB3 H 1 2.722 0 . 2 . . . . A 348 ASN HB3 . 27875 1 492 . 1 . 1 44 44 ASN HD21 H 1 7.81 0 . 2 . . . . A 348 ASN HD21 . 27875 1 493 . 1 . 1 44 44 ASN HD22 H 1 6.963 0 . 2 . . . . A 348 ASN HD22 . 27875 1 494 . 1 . 1 44 44 ASN C C 13 175.408 0 . 1 . . . . A 348 ASN C . 27875 1 495 . 1 . 1 44 44 ASN CA C 13 52.783 0 . 1 . . . . A 348 ASN CA . 27875 1 496 . 1 . 1 44 44 ASN CB C 13 38.443 0 . 1 . . . . A 348 ASN CB . 27875 1 497 . 1 . 1 44 44 ASN N N 15 113.079 0 . 1 . . . . A 348 ASN N . 27875 1 498 . 1 . 1 44 44 ASN ND2 N 15 114.733 0 . 1 . . . . A 348 ASN ND2 . 27875 1 499 . 1 . 1 45 45 ASN H H 1 7.903 0 . 1 . . . . A 349 ASN HN . 27875 1 500 . 1 . 1 45 45 ASN HA H 1 4.374 0 . 1 . . . . A 349 ASN HA . 27875 1 501 . 1 . 1 45 45 ASN HB2 H 1 2.978 0 . 2 . . . . A 349 ASN HB2 . 27875 1 502 . 1 . 1 45 45 ASN HB3 H 1 2.691 0 . 2 . . . . A 349 ASN HB3 . 27875 1 503 . 1 . 1 45 45 ASN HD21 H 1 8.182 0 . 2 . . . . A 349 ASN HD21 . 27875 1 504 . 1 . 1 45 45 ASN HD22 H 1 7.145 0 . 2 . . . . A 349 ASN HD22 . 27875 1 505 . 1 . 1 45 45 ASN C C 13 176.141 0 . 1 . . . . A 349 ASN C . 27875 1 506 . 1 . 1 45 45 ASN CA C 13 54.591 0 . 1 . . . . A 349 ASN CA . 27875 1 507 . 1 . 1 45 45 ASN CB C 13 40.576 0 . 1 . . . . A 349 ASN CB . 27875 1 508 . 1 . 1 45 45 ASN N N 15 121.128 0 . 1 . . . . A 349 ASN N . 27875 1 509 . 1 . 1 45 45 ASN ND2 N 15 114.681 0 . 1 . . . . A 349 ASN ND2 . 27875 1 510 . 1 . 1 46 46 GLU H H 1 9.137 0 . 1 . . . . A 350 GLU HN . 27875 1 511 . 1 . 1 46 46 GLU HA H 1 3.85 0 . 1 . . . . A 350 GLU HA . 27875 1 512 . 1 . 1 46 46 GLU HB2 H 1 2.038 0 . 2 . . . . A 350 GLU HB2 . 27875 1 513 . 1 . 1 46 46 GLU HB3 H 1 1.999 0 . 2 . . . . A 350 GLU HB3 . 27875 1 514 . 1 . 1 46 46 GLU HG2 H 1 2.271 0 . 2 . . . . A 350 GLU QG . 27875 1 515 . 1 . 1 46 46 GLU HG3 H 1 2.271 0 . 2 . . . . A 350 GLU QG . 27875 1 516 . 1 . 1 46 46 GLU C C 13 176.923 0 . 1 . . . . A 350 GLU C . 27875 1 517 . 1 . 1 46 46 GLU CA C 13 59.576 0 . 1 . . . . A 350 GLU CA . 27875 1 518 . 1 . 1 46 46 GLU CB C 13 29.302 0 . 1 . . . . A 350 GLU CB . 27875 1 519 . 1 . 1 46 46 GLU CG C 13 35.701 0 . 1 . . . . A 350 GLU CG . 27875 1 520 . 1 . 1 46 46 GLU N N 15 126.891 0 . 1 . . . . A 350 GLU N . 27875 1 521 . 1 . 1 47 47 ALA H H 1 8.01 0 . 1 . . . . A 351 ALA HN . 27875 1 522 . 1 . 1 47 47 ALA HA H 1 4.139 0 . 1 . . . . A 351 ALA HA . 27875 1 523 . 1 . 1 47 47 ALA HB1 H 1 1.426 0 . 1 . . . . A 351 ALA QB . 27875 1 524 . 1 . 1 47 47 ALA HB2 H 1 1.426 0 . 1 . . . . A 351 ALA QB . 27875 1 525 . 1 . 1 47 47 ALA HB3 H 1 1.426 0 . 1 . . . . A 351 ALA QB . 27875 1 526 . 1 . 1 47 47 ALA C C 13 180.804 0 . 1 . . . . A 351 ALA C . 27875 1 527 . 1 . 1 47 47 ALA CA C 13 54.927 0 . 1 . . . . A 351 ALA CA . 27875 1 528 . 1 . 1 47 47 ALA CB C 13 17.419 0 . 1 . . . . A 351 ALA CB . 27875 1 529 . 1 . 1 47 47 ALA N N 15 120.77 0 . 1 . . . . A 351 ALA N . 27875 1 530 . 1 . 1 48 48 ILE H H 1 7.631 0 . 1 . . . . A 352 ILE HN . 27875 1 531 . 1 . 1 48 48 ILE HA H 1 3.684 0 . 1 . . . . A 352 ILE HA . 27875 1 532 . 1 . 1 48 48 ILE HB H 1 2.179 0 . 1 . . . . A 352 ILE HB . 27875 1 533 . 1 . 1 48 48 ILE HG12 H 1 1.65 0 . 2 . . . . A 352 ILE HG12 . 27875 1 534 . 1 . 1 48 48 ILE HG13 H 1 1.245 0 . 2 . . . . A 352 ILE HG13 . 27875 1 535 . 1 . 1 48 48 ILE HG21 H 1 0.8 0 . 1 . . . . A 352 ILE QG2 . 27875 1 536 . 1 . 1 48 48 ILE HG22 H 1 0.8 0 . 1 . . . . A 352 ILE QG2 . 27875 1 537 . 1 . 1 48 48 ILE HG23 H 1 0.8 0 . 1 . . . . A 352 ILE QG2 . 27875 1 538 . 1 . 1 48 48 ILE HD11 H 1 0.788 0 . 1 . . . . A 352 ILE QD1 . 27875 1 539 . 1 . 1 48 48 ILE HD12 H 1 0.788 0 . 1 . . . . A 352 ILE QD1 . 27875 1 540 . 1 . 1 48 48 ILE HD13 H 1 0.788 0 . 1 . . . . A 352 ILE QD1 . 27875 1 541 . 1 . 1 48 48 ILE C C 13 178.087 0 . 1 . . . . A 352 ILE C . 27875 1 542 . 1 . 1 48 48 ILE CA C 13 62.812 0 . 1 . . . . A 352 ILE CA . 27875 1 543 . 1 . 1 48 48 ILE CB C 13 36.006 0 . 1 . . . . A 352 ILE CB . 27875 1 544 . 1 . 1 48 48 ILE CG1 C 13 27.166 0 . 1 . . . . A 352 ILE CG1 . 27875 1 545 . 1 . 1 48 48 ILE CG2 C 13 17.114 0 . 1 . . . . A 352 ILE CG2 . 27875 1 546 . 1 . 1 48 48 ILE CD1 C 13 10.411 0 . 1 . . . . A 352 ILE CD1 . 27875 1 547 . 1 . 1 48 48 ILE N N 15 118.491 0 . 1 . . . . A 352 ILE N . 27875 1 548 . 1 . 1 49 49 ARG H H 1 8.171 0 . 1 . . . . A 353 ARG HN . 27875 1 549 . 1 . 1 49 49 ARG HA H 1 3.974 0 . 1 . . . . A 353 ARG HA . 27875 1 550 . 1 . 1 49 49 ARG HB2 H 1 1.802 0 . 2 . . . . A 353 ARG QB . 27875 1 551 . 1 . 1 49 49 ARG HB3 H 1 1.802 0 . 2 . . . . A 353 ARG QB . 27875 1 552 . 1 . 1 49 49 ARG HG2 H 1 1.689 0 . 2 . . . . A 353 ARG HG2 . 27875 1 553 . 1 . 1 49 49 ARG HG3 H 1 1.6 0 . 2 . . . . A 353 ARG HG3 . 27875 1 554 . 1 . 1 49 49 ARG HD2 H 1 3.188 0 . 2 . . . . A 353 ARG QD . 27875 1 555 . 1 . 1 49 49 ARG HD3 H 1 3.188 0 . 2 . . . . A 353 ARG QD . 27875 1 556 . 1 . 1 49 49 ARG C C 13 179.475 0 . 1 . . . . A 353 ARG C . 27875 1 557 . 1 . 1 49 49 ARG CA C 13 59.234 0 . 1 . . . . A 353 ARG CA . 27875 1 558 . 1 . 1 49 49 ARG CB C 13 29.364 0 . 1 . . . . A 353 ARG CB . 27875 1 559 . 1 . 1 49 49 ARG CG C 13 26.865 0 . 1 . . . . A 353 ARG CG . 27875 1 560 . 1 . 1 49 49 ARG CD C 13 43.014 0 . 1 . . . . A 353 ARG CD . 27875 1 561 . 1 . 1 49 49 ARG N N 15 119.29 0 . 1 . . . . A 353 ARG N . 27875 1 562 . 1 . 1 50 50 ASN H H 1 8.232 0 . 1 . . . . A 354 ASN HN . 27875 1 563 . 1 . 1 50 50 ASN HA H 1 4.727 0 . 1 . . . . A 354 ASN HA . 27875 1 564 . 1 . 1 50 50 ASN HB2 H 1 2.867 0 . 2 . . . . A 354 ASN HB2 . 27875 1 565 . 1 . 1 50 50 ASN HB3 H 1 2.761 0 . 2 . . . . A 354 ASN HB3 . 27875 1 566 . 1 . 1 50 50 ASN HD21 H 1 7.628 0 . 2 . . . . A 354 ASN HD21 . 27875 1 567 . 1 . 1 50 50 ASN HD22 H 1 6.982 0 . 2 . . . . A 354 ASN HD22 . 27875 1 568 . 1 . 1 50 50 ASN C C 13 177.187 0 . 1 . . . . A 354 ASN C . 27875 1 569 . 1 . 1 50 50 ASN CA C 13 54.202 0 . 1 . . . . A 354 ASN CA . 27875 1 570 . 1 . 1 50 50 ASN CB C 13 38.548 0 . 1 . . . . A 354 ASN CB . 27875 1 571 . 1 . 1 50 50 ASN N N 15 116.571 0 . 1 . . . . A 354 ASN N . 27875 1 572 . 1 . 1 50 50 ASN ND2 N 15 112.631 0 . 1 . . . . A 354 ASN ND2 . 27875 1 573 . 1 . 1 51 51 ALA H H 1 7.785 0 . 1 . . . . A 355 ALA HN . 27875 1 574 . 1 . 1 51 51 ALA HA H 1 4.138 0 . 1 . . . . A 355 ALA HA . 27875 1 575 . 1 . 1 51 51 ALA HB1 H 1 1.5 0 . 1 . . . . A 355 ALA QB . 27875 1 576 . 1 . 1 51 51 ALA HB2 H 1 1.5 0 . 1 . . . . A 355 ALA QB . 27875 1 577 . 1 . 1 51 51 ALA HB3 H 1 1.5 0 . 1 . . . . A 355 ALA QB . 27875 1 578 . 1 . 1 51 51 ALA C C 13 179.778 0 . 1 . . . . A 355 ALA C . 27875 1 579 . 1 . 1 51 51 ALA CA C 13 55.138 0 . 1 . . . . A 355 ALA CA . 27875 1 580 . 1 . 1 51 51 ALA CB C 13 18.33 0 . 1 . . . . A 355 ALA CB . 27875 1 581 . 1 . 1 51 51 ALA N N 15 123.976 0 . 1 . . . . A 355 ALA N . 27875 1 582 . 1 . 1 52 52 MET H H 1 8.415 0 . 1 . . . . A 356 MET HN . 27875 1 583 . 1 . 1 52 52 MET HA H 1 4.471 0 . 1 . . . . A 356 MET HA . 27875 1 584 . 1 . 1 52 52 MET HB2 H 1 2.172 0 . 2 . . . . A 356 MET HB2 . 27875 1 585 . 1 . 1 52 52 MET HB3 H 1 2.011 0 . 2 . . . . A 356 MET HB3 . 27875 1 586 . 1 . 1 52 52 MET HG2 H 1 2.802 0 . 2 . . . . A 356 MET HG2 . 27875 1 587 . 1 . 1 52 52 MET HG3 H 1 2.599 0 . 2 . . . . A 356 MET HG3 . 27875 1 588 . 1 . 1 52 52 MET HE1 H 1 1.95 0 . 1 . . . . A 356 MET QE . 27875 1 589 . 1 . 1 52 52 MET HE2 H 1 1.95 0 . 1 . . . . A 356 MET QE . 27875 1 590 . 1 . 1 52 52 MET HE3 H 1 1.95 0 . 1 . . . . A 356 MET QE . 27875 1 591 . 1 . 1 52 52 MET C C 13 178.634 0 . 1 . . . . A 356 MET C . 27875 1 592 . 1 . 1 52 52 MET CA C 13 56.022 0 . 1 . . . . A 356 MET CA . 27875 1 593 . 1 . 1 52 52 MET CB C 13 31.862 0 . 1 . . . . A 356 MET CB . 27875 1 594 . 1 . 1 52 52 MET CG C 13 32.045 0 . 1 . . . . A 356 MET CG . 27875 1 595 . 1 . 1 52 52 MET CE C 13 18.019 0 . 1 . . . . A 356 MET CE . 27875 1 596 . 1 . 1 52 52 MET N N 15 115.395 0 . 1 . . . . A 356 MET N . 27875 1 597 . 1 . 1 53 53 GLY H H 1 8.071 0 . 1 . . . . A 357 GLY HN . 27875 1 598 . 1 . 1 53 53 GLY HA2 H 1 3.948 0 . 2 . . . . A 357 GLY QA . 27875 1 599 . 1 . 1 53 53 GLY HA3 H 1 3.948 0 . 2 . . . . A 357 GLY QA . 27875 1 600 . 1 . 1 53 53 GLY C C 13 175.711 0 . 1 . . . . A 357 GLY C . 27875 1 601 . 1 . 1 53 53 GLY CA C 13 46.061 0 . 1 . . . . A 357 GLY CA . 27875 1 602 . 1 . 1 53 53 GLY N N 15 107.64 0 . 1 . . . . A 357 GLY N . 27875 1 603 . 1 . 1 54 54 SER H H 1 7.999 0 . 1 . . . . A 358 SER HN . 27875 1 604 . 1 . 1 54 54 SER HA H 1 4.442 0 . 1 . . . . A 358 SER HA . 27875 1 605 . 1 . 1 54 54 SER HB2 H 1 3.939 0 . 2 . . . . A 358 SER HB2 . 27875 1 606 . 1 . 1 54 54 SER HB3 H 1 3.875 0 . 2 . . . . A 358 SER HB3 . 27875 1 607 . 1 . 1 54 54 SER C C 13 175.692 0 . 1 . . . . A 358 SER C . 27875 1 608 . 1 . 1 54 54 SER CA C 13 59.451 0 . 1 . . . . A 358 SER CA . 27875 1 609 . 1 . 1 54 54 SER CB C 13 63.282 0 . 1 . . . . A 358 SER CB . 27875 1 610 . 1 . 1 54 54 SER N N 15 115.92 0 . 1 . . . . A 358 SER N . 27875 1 611 . 1 . 1 55 55 LEU H H 1 7.876 0 . 1 . . . . A 359 LEU HN . 27875 1 612 . 1 . 1 55 55 LEU HA H 1 4.251 0 . 1 . . . . A 359 LEU HA . 27875 1 613 . 1 . 1 55 55 LEU HB2 H 1 1.782 0 . 2 . . . . A 359 LEU HB2 . 27875 1 614 . 1 . 1 55 55 LEU HB3 H 1 1.603 0 . 2 . . . . A 359 LEU HB3 . 27875 1 615 . 1 . 1 55 55 LEU HG H 1 1.775 0 . 1 . . . . A 359 LEU HG . 27875 1 616 . 1 . 1 55 55 LEU HD11 H 1 0.933 0 . 2 . . . . A 359 LEU QD1 . 27875 1 617 . 1 . 1 55 55 LEU HD12 H 1 0.933 0 . 2 . . . . A 359 LEU QD1 . 27875 1 618 . 1 . 1 55 55 LEU HD13 H 1 0.933 0 . 2 . . . . A 359 LEU QD1 . 27875 1 619 . 1 . 1 55 55 LEU HD21 H 1 0.876 0 . 2 . . . . A 359 LEU QD2 . 27875 1 620 . 1 . 1 55 55 LEU HD22 H 1 0.876 0 . 2 . . . . A 359 LEU QD2 . 27875 1 621 . 1 . 1 55 55 LEU HD23 H 1 0.876 0 . 2 . . . . A 359 LEU QD2 . 27875 1 622 . 1 . 1 55 55 LEU C C 13 178.067 0 . 1 . . . . A 359 LEU C . 27875 1 623 . 1 . 1 55 55 LEU CA C 13 56.38 0 . 1 . . . . A 359 LEU CA . 27875 1 624 . 1 . 1 55 55 LEU CB C 13 41.688 0 . 1 . . . . A 359 LEU CB . 27875 1 625 . 1 . 1 55 55 LEU CG C 13 26.865 0 . 1 . . . . A 359 LEU CG . 27875 1 626 . 1 . 1 55 55 LEU CD1 C 13 25.037 0 . 2 . . . . A 359 LEU CD1 . 27875 1 627 . 1 . 1 55 55 LEU CD2 C 13 23.202 0 . 2 . . . . A 359 LEU CD2 . 27875 1 628 . 1 . 1 55 55 LEU N N 15 122.51 0 . 1 . . . . A 359 LEU N . 27875 1 629 . 1 . 1 56 56 ALA H H 1 8.049 0 . 1 . . . . A 360 ALA HN . 27875 1 630 . 1 . 1 56 56 ALA HA H 1 4.326 0 . 1 . . . . A 360 ALA HA . 27875 1 631 . 1 . 1 56 56 ALA HB1 H 1 1.426 0 . 1 . . . . A 360 ALA QB . 27875 1 632 . 1 . 1 56 56 ALA HB2 H 1 1.426 0 . 1 . . . . A 360 ALA QB . 27875 1 633 . 1 . 1 56 56 ALA HB3 H 1 1.426 0 . 1 . . . . A 360 ALA QB . 27875 1 634 . 1 . 1 56 56 ALA C C 13 178.419 0 . 1 . . . . A 360 ALA C . 27875 1 635 . 1 . 1 56 56 ALA CA C 13 53.066 0 . 1 . . . . A 360 ALA CA . 27875 1 636 . 1 . 1 56 56 ALA CB C 13 18.591 0 . 1 . . . . A 360 ALA CB . 27875 1 637 . 1 . 1 56 56 ALA N N 15 122.064 0 . 1 . . . . A 360 ALA N . 27875 1 638 . 1 . 1 57 57 SER H H 1 8.07 0 . 1 . . . . A 361 SER HN . 27875 1 639 . 1 . 1 57 57 SER HA H 1 4.465 0 . 1 . . . . A 361 SER HA . 27875 1 640 . 1 . 1 57 57 SER HB2 H 1 3.892 0 . 2 . . . . A 361 SER HB2 . 27875 1 641 . 1 . 1 57 57 SER HB3 H 1 3.873 0 . 2 . . . . A 361 SER HB3 . 27875 1 642 . 1 . 1 57 57 SER C C 13 175.252 0 . 1 . . . . A 361 SER C . 27875 1 643 . 1 . 1 57 57 SER CA C 13 58.818 0 . 1 . . . . A 361 SER CA . 27875 1 644 . 1 . 1 57 57 SER CB C 13 63.369 0 . 1 . . . . A 361 SER CB . 27875 1 645 . 1 . 1 57 57 SER N N 15 113.896 0 . 1 . . . . A 361 SER N . 27875 1 646 . 1 . 1 58 58 GLN H H 1 8.203 0 . 1 . . . . A 362 GLN HN . 27875 1 647 . 1 . 1 58 58 GLN HA H 1 4.298 0 . 1 . . . . A 362 GLN HA . 27875 1 648 . 1 . 1 58 58 GLN HB2 H 1 2.168 0 . 2 . . . . A 362 GLN HB2 . 27875 1 649 . 1 . 1 58 58 GLN HB3 H 1 2.04 0 . 2 . . . . A 362 GLN HB3 . 27875 1 650 . 1 . 1 58 58 GLN HG2 H 1 2.43 0 . 2 . . . . A 362 GLN HG2 . 27875 1 651 . 1 . 1 58 58 GLN HG3 H 1 2.397 0 . 2 . . . . A 362 GLN HG3 . 27875 1 652 . 1 . 1 58 58 GLN HE21 H 1 7.526 0 . 2 . . . . A 362 GLN HE21 . 27875 1 653 . 1 . 1 58 58 GLN HE22 H 1 6.866 0 . 2 . . . . A 362 GLN HE22 . 27875 1 654 . 1 . 1 58 58 GLN C C 13 176.141 0 . 1 . . . . A 362 GLN C . 27875 1 655 . 1 . 1 58 58 GLN CA C 13 55.897 0 . 1 . . . . A 362 GLN CA . 27875 1 656 . 1 . 1 58 58 GLN CB C 13 28.693 0 . 1 . . . . A 362 GLN CB . 27875 1 657 . 1 . 1 58 58 GLN CG C 13 33.568 0 . 1 . . . . A 362 GLN CG . 27875 1 658 . 1 . 1 58 58 GLN N N 15 121.422 0 . 1 . . . . A 362 GLN N . 27875 1 659 . 1 . 1 58 58 GLN NE2 N 15 112.528 0 . 1 . . . . A 362 GLN NE2 . 27875 1 660 . 1 . 1 59 59 ALA H H 1 8.133 0 . 1 . . . . A 363 ALA HN . 27875 1 661 . 1 . 1 59 59 ALA HA H 1 4.339 0 . 1 . . . . A 363 ALA HA . 27875 1 662 . 1 . 1 59 59 ALA HB1 H 1 1.401 0 . 1 . . . . A 363 ALA QB . 27875 1 663 . 1 . 1 59 59 ALA HB2 H 1 1.401 0 . 1 . . . . A 363 ALA QB . 27875 1 664 . 1 . 1 59 59 ALA HB3 H 1 1.401 0 . 1 . . . . A 363 ALA QB . 27875 1 665 . 1 . 1 59 59 ALA C C 13 178.262 0 . 1 . . . . A 363 ALA C . 27875 1 666 . 1 . 1 59 59 ALA CA C 13 52.727 0 . 1 . . . . A 363 ALA CA . 27875 1 667 . 1 . 1 59 59 ALA CB C 13 18.895 0 . 1 . . . . A 363 ALA CB . 27875 1 668 . 1 . 1 59 59 ALA N N 15 123.617 0 . 1 . . . . A 363 ALA N . 27875 1 669 . 1 . 1 60 60 THR H H 1 8.042 0 . 1 . . . . A 364 THR HN . 27875 1 670 . 1 . 1 60 60 THR HA H 1 4.325 0 . 1 . . . . A 364 THR HA . 27875 1 671 . 1 . 1 60 60 THR HB H 1 4.263 0 . 1 . . . . A 364 THR HB . 27875 1 672 . 1 . 1 60 60 THR HG21 H 1 1.229 0 . 1 . . . . A 364 THR QG2 . 27875 1 673 . 1 . 1 60 60 THR HG22 H 1 1.229 0 . 1 . . . . A 364 THR QG2 . 27875 1 674 . 1 . 1 60 60 THR HG23 H 1 1.229 0 . 1 . . . . A 364 THR QG2 . 27875 1 675 . 1 . 1 60 60 THR C C 13 175.066 0 . 1 . . . . A 364 THR C . 27875 1 676 . 1 . 1 60 60 THR CA C 13 61.919 0 . 1 . . . . A 364 THR CA . 27875 1 677 . 1 . 1 60 60 THR CB C 13 69.483 0 . 1 . . . . A 364 THR CB . 27875 1 678 . 1 . 1 60 60 THR CG2 C 13 21.38 0 . 1 . . . . A 364 THR CG2 . 27875 1 679 . 1 . 1 60 60 THR N N 15 112.845 0 . 1 . . . . A 364 THR N . 27875 1 680 . 1 . 1 61 61 LYS H H 1 8.285 0 . 1 . . . . A 365 LYS HN . 27875 1 681 . 1 . 1 61 61 LYS HA H 1 4.304 0 . 1 . . . . A 365 LYS HA . 27875 1 682 . 1 . 1 61 61 LYS HB2 H 1 1.836 0 . 2 . . . . A 365 LYS HB2 . 27875 1 683 . 1 . 1 61 61 LYS HB3 H 1 1.76 0 . 2 . . . . A 365 LYS HB3 . 27875 1 684 . 1 . 1 61 61 LYS HG2 H 1 1.44 0 . 2 . . . . A 365 LYS HG2 . 27875 1 685 . 1 . 1 61 61 LYS HG3 H 1 1.392 0 . 2 . . . . A 365 LYS HG3 . 27875 1 686 . 1 . 1 61 61 LYS HD2 H 1 1.663 0 . 2 . . . . A 365 LYS QD . 27875 1 687 . 1 . 1 61 61 LYS HD3 H 1 1.663 0 . 2 . . . . A 365 LYS QD . 27875 1 688 . 1 . 1 61 61 LYS HE2 H 1 2.991 0 . 2 . . . . A 365 LYS QE . 27875 1 689 . 1 . 1 61 61 LYS HE3 H 1 2.991 0 . 2 . . . . A 365 LYS QE . 27875 1 690 . 1 . 1 61 61 LYS C C 13 176.64 0 . 1 . . . . A 365 LYS C . 27875 1 691 . 1 . 1 61 61 LYS CA C 13 56.519 0 . 1 . . . . A 365 LYS CA . 27875 1 692 . 1 . 1 61 61 LYS CB C 13 32.234 0 . 1 . . . . A 365 LYS CB . 27875 1 693 . 1 . 1 61 61 LYS CG C 13 24.427 0 . 1 . . . . A 365 LYS CG . 27875 1 694 . 1 . 1 61 61 LYS CD C 13 28.388 0 . 1 . . . . A 365 LYS CD . 27875 1 695 . 1 . 1 61 61 LYS CE C 13 41.49 0 . 1 . . . . A 365 LYS CE . 27875 1 696 . 1 . 1 61 61 LYS N N 15 123.268 0 . 1 . . . . A 365 LYS N . 27875 1 697 . 1 . 1 62 62 ASP H H 1 8.334 0 . 1 . . . . A 366 ASP HN . 27875 1 698 . 1 . 1 62 62 ASP HA H 1 4.589 0 . 1 . . . . A 366 ASP HA . 27875 1 699 . 1 . 1 62 62 ASP HB2 H 1 2.708 0 . 2 . . . . A 366 ASP HB2 . 27875 1 700 . 1 . 1 62 62 ASP HB3 H 1 2.655 0 . 2 . . . . A 366 ASP HB3 . 27875 1 701 . 1 . 1 62 62 ASP C C 13 176.826 0 . 1 . . . . A 366 ASP C . 27875 1 702 . 1 . 1 62 62 ASP CA C 13 54.312 0 . 1 . . . . A 366 ASP CA . 27875 1 703 . 1 . 1 62 62 ASP CB C 13 40.811 0 . 1 . . . . A 366 ASP CB . 27875 1 704 . 1 . 1 62 62 ASP N N 15 120.526 0 . 1 . . . . A 366 ASP N . 27875 1 705 . 1 . 1 63 63 GLY H H 1 8.27 0 . 1 . . . . A 367 GLY HN . 27875 1 706 . 1 . 1 63 63 GLY HA2 H 1 3.964 0 . 2 . . . . A 367 GLY QA . 27875 1 707 . 1 . 1 63 63 GLY HA3 H 1 3.964 0 . 2 . . . . A 367 GLY QA . 27875 1 708 . 1 . 1 63 63 GLY C C 13 174.372 0 . 1 . . . . A 367 GLY C . 27875 1 709 . 1 . 1 63 63 GLY CA C 13 45.254 0 . 1 . . . . A 367 GLY CA . 27875 1 710 . 1 . 1 63 63 GLY N N 15 109.014 0 . 1 . . . . A 367 GLY N . 27875 1 711 . 1 . 1 64 64 LYS H H 1 8.137 0 . 1 . . . . A 368 LYS HN . 27875 1 712 . 1 . 1 64 64 LYS HA H 1 4.304 0 . 1 . . . . A 368 LYS HA . 27875 1 713 . 1 . 1 64 64 LYS HB2 H 1 1.823 0 . 2 . . . . A 368 LYS HB2 . 27875 1 714 . 1 . 1 64 64 LYS HB3 H 1 1.743 0 . 2 . . . . A 368 LYS HB3 . 27875 1 715 . 1 . 1 64 64 LYS HG2 H 1 1.411 0 . 2 . . . . A 368 LYS QG . 27875 1 716 . 1 . 1 64 64 LYS HG3 H 1 1.411 0 . 2 . . . . A 368 LYS QG . 27875 1 717 . 1 . 1 64 64 LYS HD2 H 1 1.659 0 . 2 . . . . A 368 LYS QD . 27875 1 718 . 1 . 1 64 64 LYS HD3 H 1 1.659 0 . 2 . . . . A 368 LYS QD . 27875 1 719 . 1 . 1 64 64 LYS HE2 H 1 2.993 0 . 2 . . . . A 368 LYS QE . 27875 1 720 . 1 . 1 64 64 LYS HE3 H 1 2.993 0 . 2 . . . . A 368 LYS QE . 27875 1 721 . 1 . 1 64 64 LYS C C 13 176.835 0 . 1 . . . . A 368 LYS C . 27875 1 722 . 1 . 1 64 64 LYS CA C 13 56.066 0 . 1 . . . . A 368 LYS CA . 27875 1 723 . 1 . 1 64 64 LYS CB C 13 32.178 0 . 1 . . . . A 368 LYS CB . 27875 1 724 . 1 . 1 64 64 LYS CG C 13 23.818 0 . 1 . . . . A 368 LYS CG . 27875 1 725 . 1 . 1 64 64 LYS CD C 13 27.779 0 . 1 . . . . A 368 LYS CD . 27875 1 726 . 1 . 1 64 64 LYS CE C 13 41.49 0 . 1 . . . . A 368 LYS CE . 27875 1 727 . 1 . 1 64 64 LYS N N 15 120.633 0 . 1 . . . . A 368 LYS N . 27875 1 728 . 1 . 1 65 65 LYS H H 1 8.313 0 . 1 . . . . A 369 LYS HN . 27875 1 729 . 1 . 1 65 65 LYS HA H 1 4.311 0 . 1 . . . . A 369 LYS HA . 27875 1 730 . 1 . 1 65 65 LYS HB2 H 1 1.816 0 . 2 . . . . A 369 LYS HB2 . 27875 1 731 . 1 . 1 65 65 LYS HB3 H 1 1.737 0 . 2 . . . . A 369 LYS HB3 . 27875 1 732 . 1 . 1 65 65 LYS HG2 H 1 1.417 0 . 2 . . . . A 369 LYS QG . 27875 1 733 . 1 . 1 65 65 LYS HG3 H 1 1.417 0 . 2 . . . . A 369 LYS QG . 27875 1 734 . 1 . 1 65 65 LYS HD2 H 1 1.662 0 . 2 . . . . A 369 LYS QD . 27875 1 735 . 1 . 1 65 65 LYS HD3 H 1 1.662 0 . 2 . . . . A 369 LYS QD . 27875 1 736 . 1 . 1 65 65 LYS HE2 H 1 2.992 0 . 2 . . . . A 369 LYS QE . 27875 1 737 . 1 . 1 65 65 LYS HE3 H 1 2.992 0 . 2 . . . . A 369 LYS QE . 27875 1 738 . 1 . 1 65 65 LYS C C 13 176.298 0 . 1 . . . . A 369 LYS C . 27875 1 739 . 1 . 1 65 65 LYS CA C 13 55.953 0 . 1 . . . . A 369 LYS CA . 27875 1 740 . 1 . 1 65 65 LYS CB C 13 32.404 0 . 1 . . . . A 369 LYS CB . 27875 1 741 . 1 . 1 65 65 LYS CG C 13 23.818 0 . 1 . . . . A 369 LYS CG . 27875 1 742 . 1 . 1 65 65 LYS CD C 13 27.779 0 . 1 . . . . A 369 LYS CD . 27875 1 743 . 1 . 1 65 65 LYS CE C 13 41.795 0 . 1 . . . . A 369 LYS CE . 27875 1 744 . 1 . 1 65 65 LYS N N 15 122.117 0 . 1 . . . . A 369 LYS N . 27875 1 745 . 1 . 1 66 66 ASP H H 1 8.331 0 . 1 . . . . A 370 ASP HN . 27875 1 746 . 1 . 1 66 66 ASP HA H 1 4.58 0 . 1 . . . . A 370 ASP HA . 27875 1 747 . 1 . 1 66 66 ASP HB2 H 1 2.691 0 . 2 . . . . A 370 ASP HB2 . 27875 1 748 . 1 . 1 66 66 ASP HB3 H 1 2.593 0 . 2 . . . . A 370 ASP HB3 . 27875 1 749 . 1 . 1 66 66 ASP C C 13 175.995 0 . 1 . . . . A 370 ASP C . 27875 1 750 . 1 . 1 66 66 ASP CA C 13 53.915 0 . 1 . . . . A 370 ASP CA . 27875 1 751 . 1 . 1 66 66 ASP CB C 13 40.839 0 . 1 . . . . A 370 ASP CB . 27875 1 752 . 1 . 1 66 66 ASP N N 15 121.339 0 . 1 . . . . A 370 ASP N . 27875 1 753 . 1 . 1 67 67 LYS H H 1 8.201 0 . 1 . . . . A 371 LYS HN . 27875 1 754 . 1 . 1 67 67 LYS HA H 1 4.294 0 . 1 . . . . A 371 LYS HA . 27875 1 755 . 1 . 1 67 67 LYS HB2 H 1 1.82 0 . 2 . . . . A 371 LYS HB2 . 27875 1 756 . 1 . 1 67 67 LYS HB3 H 1 1.746 0 . 2 . . . . A 371 LYS HB3 . 27875 1 757 . 1 . 1 67 67 LYS HG2 H 1 1.423 0 . 2 . . . . A 371 LYS QG . 27875 1 758 . 1 . 1 67 67 LYS HG3 H 1 1.423 0 . 2 . . . . A 371 LYS QG . 27875 1 759 . 1 . 1 67 67 LYS HD2 H 1 1.671 0 . 2 . . . . A 371 LYS QD . 27875 1 760 . 1 . 1 67 67 LYS HD3 H 1 1.671 0 . 2 . . . . A 371 LYS QD . 27875 1 761 . 1 . 1 67 67 LYS HE2 H 1 3.002 0 . 2 . . . . A 371 LYS QE . 27875 1 762 . 1 . 1 67 67 LYS HE3 H 1 3.002 0 . 2 . . . . A 371 LYS QE . 27875 1 763 . 1 . 1 67 67 LYS C C 13 176.405 0 . 1 . . . . A 371 LYS C . 27875 1 764 . 1 . 1 67 67 LYS CA C 13 55.897 0 . 1 . . . . A 371 LYS CA . 27875 1 765 . 1 . 1 67 67 LYS CB C 13 32.404 0 . 1 . . . . A 371 LYS CB . 27875 1 766 . 1 . 1 67 67 LYS CG C 13 24.124 0 . 1 . . . . A 371 LYS CG . 27875 1 767 . 1 . 1 67 67 LYS CD C 13 28.084 0 . 1 . . . . A 371 LYS CD . 27875 1 768 . 1 . 1 67 67 LYS CE C 13 41.795 0 . 1 . . . . A 371 LYS CE . 27875 1 769 . 1 . 1 67 67 LYS N N 15 121.778 0 . 1 . . . . A 371 LYS N . 27875 1 770 . 1 . 1 68 68 LYS H H 1 8.436 0 . 1 . . . . A 372 LYS HN . 27875 1 771 . 1 . 1 68 68 LYS HA H 1 4.3 0 . 1 . . . . A 372 LYS HA . 27875 1 772 . 1 . 1 68 68 LYS HB2 H 1 1.815 0 . 2 . . . . A 372 LYS HB2 . 27875 1 773 . 1 . 1 68 68 LYS HB3 H 1 1.738 0 . 2 . . . . A 372 LYS HB3 . 27875 1 774 . 1 . 1 68 68 LYS HG2 H 1 1.414 0 . 2 . . . . A 372 LYS QG . 27875 1 775 . 1 . 1 68 68 LYS HG3 H 1 1.414 0 . 2 . . . . A 372 LYS QG . 27875 1 776 . 1 . 1 68 68 LYS HD2 H 1 1.661 0 . 2 . . . . A 372 LYS QD . 27875 1 777 . 1 . 1 68 68 LYS HD3 H 1 1.661 0 . 2 . . . . A 372 LYS QD . 27875 1 778 . 1 . 1 68 68 LYS HE2 H 1 2.998 0 . 2 . . . . A 372 LYS QE . 27875 1 779 . 1 . 1 68 68 LYS HE3 H 1 2.998 0 . 2 . . . . A 372 LYS QE . 27875 1 780 . 1 . 1 68 68 LYS C C 13 176.757 0 . 1 . . . . A 372 LYS C . 27875 1 781 . 1 . 1 68 68 LYS CA C 13 56.010 0 . 1 . . . . A 372 LYS CA . 27875 1 782 . 1 . 1 68 68 LYS CB C 13 32.349 0 . 1 . . . . A 372 LYS CB . 27875 1 783 . 1 . 1 68 68 LYS CG C 13 24.123 0 . 1 . . . . A 372 LYS CG . 27875 1 784 . 1 . 1 68 68 LYS CD C 13 28.084 0 . 1 . . . . A 372 LYS CD . 27875 1 785 . 1 . 1 68 68 LYS CE C 13 41.795 0 . 1 . . . . A 372 LYS CE . 27875 1 786 . 1 . 1 68 68 LYS N N 15 123.004 0 . 1 . . . . A 372 LYS N . 27875 1 787 . 1 . 1 69 69 GLU H H 1 8.483 0 . 1 . . . . A 373 GLU HN . 27875 1 788 . 1 . 1 69 69 GLU HA H 1 4.301 0 . 1 . . . . A 373 GLU HA . 27875 1 789 . 1 . 1 69 69 GLU HB2 H 1 2.073 0 . 2 . . . . A 373 GLU HB2 . 27875 1 790 . 1 . 1 69 69 GLU HB3 H 1 1.947 0 . 2 . . . . A 373 GLU HB3 . 27875 1 791 . 1 . 1 69 69 GLU HG2 H 1 2.278 0 . 2 . . . . A 373 GLU QG . 27875 1 792 . 1 . 1 69 69 GLU HG3 H 1 2.278 0 . 2 . . . . A 373 GLU QG . 27875 1 793 . 1 . 1 69 69 GLU C C 13 176.669 0 . 1 . . . . A 373 GLU C . 27875 1 794 . 1 . 1 69 69 GLU CA C 13 56.123 0 . 1 . . . . A 373 GLU CA . 27875 1 795 . 1 . 1 69 69 GLU CB C 13 29.517 0 . 1 . . . . A 373 GLU CB . 27875 1 796 . 1 . 1 69 69 GLU CG C 13 36.311 0 . 1 . . . . A 373 GLU CG . 27875 1 797 . 1 . 1 69 69 GLU N N 15 122.212 0 . 1 . . . . A 373 GLU N . 27875 1 798 . 1 . 1 70 70 GLU H H 1 8.493 0 . 1 . . . . A 374 GLU HN . 27875 1 799 . 1 . 1 70 70 GLU HA H 1 4.271 0 . 1 . . . . A 374 GLU HA . 27875 1 800 . 1 . 1 70 70 GLU HB2 H 1 2.06 0 . 2 . . . . A 374 GLU HB2 . 27875 1 801 . 1 . 1 70 70 GLU HB3 H 1 1.93 0 . 2 . . . . A 374 GLU HB3 . 27875 1 802 . 1 . 1 70 70 GLU HG2 H 1 2.279 0 . 2 . . . . A 374 GLU QG . 27875 1 803 . 1 . 1 70 70 GLU HG3 H 1 2.279 0 . 2 . . . . A 374 GLU QG . 27875 1 804 . 1 . 1 70 70 GLU C C 13 176.229 0 . 1 . . . . A 374 GLU C . 27875 1 805 . 1 . 1 70 70 GLU CA C 13 56.293 0 . 1 . . . . A 374 GLU CA . 27875 1 806 . 1 . 1 70 70 GLU CB C 13 29.8 0 . 1 . . . . A 374 GLU CB . 27875 1 807 . 1 . 1 70 70 GLU CG C 13 36.311 0 . 1 . . . . A 374 GLU CG . 27875 1 808 . 1 . 1 70 70 GLU N N 15 121.474 0 . 1 . . . . A 374 GLU N . 27875 1 809 . 1 . 1 71 71 ASP H H 1 8.358 0 . 1 . . . . A 375 ASP HN . 27875 1 810 . 1 . 1 71 71 ASP HA H 1 4.577 0 . 1 . . . . A 375 ASP HA . 27875 1 811 . 1 . 1 71 71 ASP HB2 H 1 2.686 0 . 2 . . . . A 375 ASP HB2 . 27875 1 812 . 1 . 1 71 71 ASP HB3 H 1 2.596 0 . 2 . . . . A 375 ASP HB3 . 27875 1 813 . 1 . 1 71 71 ASP C C 13 175.936 0 . 1 . . . . A 375 ASP C . 27875 1 814 . 1 . 1 71 71 ASP CA C 13 54.085 0 . 1 . . . . A 375 ASP CA . 27875 1 815 . 1 . 1 71 71 ASP CB C 13 40.556 0 . 1 . . . . A 375 ASP CB . 27875 1 816 . 1 . 1 71 71 ASP N N 15 121.34 0 . 1 . . . . A 375 ASP N . 27875 1 817 . 1 . 1 72 72 LYS H H 1 8.136 0 . 1 . . . . A 376 LYS HN . 27875 1 818 . 1 . 1 72 72 LYS HA H 1 4.309 0 . 1 . . . . A 376 LYS HA . 27875 1 819 . 1 . 1 72 72 LYS HB2 H 1 1.865 0 . 2 . . . . A 376 LYS HB2 . 27875 1 820 . 1 . 1 72 72 LYS HB3 H 1 1.788 0 . 2 . . . . A 376 LYS HB3 . 27875 1 821 . 1 . 1 72 72 LYS HG2 H 1 1.453 0 . 2 . . . . A 376 LYS QG . 27875 1 822 . 1 . 1 72 72 LYS HG3 H 1 1.453 0 . 2 . . . . A 376 LYS QG . 27875 1 823 . 1 . 1 72 72 LYS HD2 H 1 1.6 0 . 2 . . . . A 376 LYS QD . 27875 1 824 . 1 . 1 72 72 LYS HD3 H 1 1.6 0 . 2 . . . . A 376 LYS QD . 27875 1 825 . 1 . 1 72 72 LYS HE2 H 1 3.005 0 . 2 . . . . A 376 LYS QE . 27875 1 826 . 1 . 1 72 72 LYS HE3 H 1 3.005 0 . 2 . . . . A 376 LYS QE . 27875 1 827 . 1 . 1 72 72 LYS C C 13 175.594 0 . 1 . . . . A 376 LYS C . 27875 1 828 . 1 . 1 72 72 LYS CA C 13 55.84 0 . 1 . . . . A 376 LYS CA . 27875 1 829 . 1 . 1 72 72 LYS CB C 13 32.347 0 . 1 . . . . A 376 LYS CB . 27875 1 830 . 1 . 1 72 72 LYS CG C 13 24.427 0 . 1 . . . . A 376 LYS CG . 27875 1 831 . 1 . 1 72 72 LYS CD C 13 28.188 0 . 1 . . . . A 376 LYS CD . 27875 1 832 . 1 . 1 72 72 LYS CE C 13 41.795 0 . 1 . . . . A 376 LYS CE . 27875 1 833 . 1 . 1 72 72 LYS N N 15 121.989 0 . 1 . . . . A 376 LYS N . 27875 1 834 . 1 . 1 73 73 LYS H H 1 7.965 0 . 1 . . . . A 377 LYS HN . 27875 1 835 . 1 . 1 73 73 LYS HA H 1 4.154 0 . 1 . . . . A 377 LYS HA . 27875 1 836 . 1 . 1 73 73 LYS HB2 H 1 1.816 0 . 2 . . . . A 377 LYS HB2 . 27875 1 837 . 1 . 1 73 73 LYS HB3 H 1 1.699 0 . 2 . . . . A 377 LYS HB3 . 27875 1 838 . 1 . 1 73 73 LYS HG2 H 1 1.384 0 . 2 . . . . A 377 LYS QG . 27875 1 839 . 1 . 1 73 73 LYS HG3 H 1 1.384 0 . 2 . . . . A 377 LYS QG . 27875 1 840 . 1 . 1 73 73 LYS HD2 H 1 1.644 0 . 2 . . . . A 377 LYS QD . 27875 1 841 . 1 . 1 73 73 LYS HD3 H 1 1.644 0 . 2 . . . . A 377 LYS QD . 27875 1 842 . 1 . 1 73 73 LYS HE2 H 1 2.988 0 . 2 . . . . A 377 LYS QE . 27875 1 843 . 1 . 1 73 73 LYS HE3 H 1 2.988 0 . 2 . . . . A 377 LYS QE . 27875 1 844 . 1 . 1 73 73 LYS C C 13 181.42 0 . 1 . . . . A 377 LYS C . 27875 1 845 . 1 . 1 73 73 LYS CA C 13 57.312 0 . 1 . . . . A 377 LYS CA . 27875 1 846 . 1 . 1 73 73 LYS CB C 13 33.14 0 . 1 . . . . A 377 LYS CB . 27875 1 847 . 1 . 1 73 73 LYS CG C 13 24.123 0 . 1 . . . . A 377 LYS CG . 27875 1 848 . 1 . 1 73 73 LYS CD C 13 28.388 0 . 1 . . . . A 377 LYS CD . 27875 1 849 . 1 . 1 73 73 LYS CE C 13 41.795 0 . 1 . . . . A 377 LYS CE . 27875 1 850 . 1 . 1 73 73 LYS N N 15 128.167 0 . 1 . . . . A 377 LYS N . 27875 1 851 . 2 . 2 1 1 MET H H 1 8.392 0 . 1 . . . . B 24 MET HN . 27875 1 852 . 2 . 2 1 1 MET HA H 1 4.268 0 . 1 . . . . B 24 MET HA . 27875 1 853 . 2 . 2 1 1 MET HB2 H 1 2.114 0 . 2 . . . . B 24 MET QB . 27875 1 854 . 2 . 2 1 1 MET HB3 H 1 2.114 0 . 2 . . . . B 24 MET QB . 27875 1 855 . 2 . 2 1 1 MET HG2 H 1 2.622 0 . 2 . . . . B 24 MET HG2 . 27875 1 856 . 2 . 2 1 1 MET HG3 H 1 2.525 0 . 2 . . . . B 24 MET HG3 . 27875 1 857 . 2 . 2 1 1 MET HE1 H 1 2.117 0 . 1 . . . . B 24 MET QE . 27875 1 858 . 2 . 2 1 1 MET HE2 H 1 2.117 0 . 1 . . . . B 24 MET QE . 27875 1 859 . 2 . 2 1 1 MET HE3 H 1 2.117 0 . 1 . . . . B 24 MET QE . 27875 1 860 . 2 . 2 1 1 MET C C 13 178.691 0 . 1 . . . . B 24 MET C . 27875 1 861 . 2 . 2 1 1 MET CA C 13 57.952 0 . 1 . . . . B 24 MET CA . 27875 1 862 . 2 . 2 1 1 MET CB C 13 32.068 0 . 1 . . . . B 24 MET CB . 27875 1 863 . 2 . 2 1 1 MET CG C 13 32.068 0 . 1 . . . . B 24 MET CG . 27875 1 864 . 2 . 2 1 1 MET CE C 13 17.104 0 . 1 . . . . B 24 MET CE . 27875 1 865 . 2 . 2 1 1 MET N N 15 120.308 0 . 1 . . . . B 24 MET N . 27875 1 866 . 2 . 2 2 2 LYS H H 1 8.241 0 . 1 . . . . B 25 LYS HN . 27875 1 867 . 2 . 2 2 2 LYS HA H 1 4.171 0 . 1 . . . . B 25 LYS HA . 27875 1 868 . 2 . 2 2 2 LYS HB2 H 1 1.936 0 . 2 . . . . B 25 LYS HB2 . 27875 1 869 . 2 . 2 2 2 LYS HB3 H 1 1.873 0 . 2 . . . . B 25 LYS HB3 . 27875 1 870 . 2 . 2 2 2 LYS HG2 H 1 1.721 0 . 2 . . . . B 25 LYS HG2 . 27875 1 871 . 2 . 2 2 2 LYS HG3 H 1 1.55 0 . 2 . . . . B 25 LYS HG3 . 27875 1 872 . 2 . 2 2 2 LYS HD2 H 1 1.919 0 . 2 . . . . B 25 LYS HD2 . 27875 1 873 . 2 . 2 2 2 LYS HD3 H 1 1.78 0 . 2 . . . . B 25 LYS HD3 . 27875 1 874 . 2 . 2 2 2 LYS HE2 H 1 3.112 0 . 2 . . . . B 25 LYS QE . 27875 1 875 . 2 . 2 2 2 LYS HE3 H 1 3.112 0 . 2 . . . . B 25 LYS QE . 27875 1 876 . 2 . 2 2 2 LYS C C 13 179.843 0 . 1 . . . . B 25 LYS C . 27875 1 877 . 2 . 2 2 2 LYS CA C 13 59.28 0 . 1 . . . . B 25 LYS CA . 27875 1 878 . 2 . 2 2 2 LYS CB C 13 32.791 0 . 1 . . . . B 25 LYS CB . 27875 1 879 . 2 . 2 2 2 LYS CG C 13 26.065 0 . 1 . . . . B 25 LYS CG . 27875 1 880 . 2 . 2 2 2 LYS CD C 13 29.754 0 . 1 . . . . B 25 LYS CD . 27875 1 881 . 2 . 2 2 2 LYS CE C 13 42.046 0 . 1 . . . . B 25 LYS CE . 27875 1 882 . 2 . 2 2 2 LYS N N 15 120.949 0 . 1 . . . . B 25 LYS N . 27875 1 883 . 2 . 2 3 3 ARG H H 1 8.201 0 . 1 . . . . B 26 ARG HN . 27875 1 884 . 2 . 2 3 3 ARG HA H 1 3.605 0 . 1 . . . . B 26 ARG HA . 27875 1 885 . 2 . 2 3 3 ARG HB2 H 1 1.575 0 . 2 . . . . B 26 ARG HB2 . 27875 1 886 . 2 . 2 3 3 ARG HB3 H 1 1.372 0 . 2 . . . . B 26 ARG HB3 . 27875 1 887 . 2 . 2 3 3 ARG HG2 H 1 1.364 0 . 2 . . . . B 26 ARG HG2 . 27875 1 888 . 2 . 2 3 3 ARG HG3 H 1 0.238 0 . 2 . . . . B 26 ARG HG3 . 27875 1 889 . 2 . 2 3 3 ARG HD2 H 1 2.56 0 . 2 . . . . B 26 ARG HD2 . 27875 1 890 . 2 . 2 3 3 ARG HD3 H 1 2.435 0 . 2 . . . . B 26 ARG HD3 . 27875 1 891 . 2 . 2 3 3 ARG HE H 1 6.627 0 . 1 . . . . B 26 ARG HE . 27875 1 892 . 2 . 2 3 3 ARG C C 13 177.487 0 . 1 . . . . B 26 ARG C . 27875 1 893 . 2 . 2 3 3 ARG CA C 13 59.847 0 . 1 . . . . B 26 ARG CA . 27875 1 894 . 2 . 2 3 3 ARG CB C 13 30.622 0 . 1 . . . . B 26 ARG CB . 27875 1 895 . 2 . 2 3 3 ARG CG C 13 28.164 0 . 1 . . . . B 26 ARG CG . 27875 1 896 . 2 . 2 3 3 ARG CD C 13 43.926 0 . 1 . . . . B 26 ARG CD . 27875 1 897 . 2 . 2 3 3 ARG N N 15 119.968 0 . 1 . . . . B 26 ARG N . 27875 1 898 . 2 . 2 4 4 ALA H H 1 7.914 0 . 1 . . . . B 27 ALA HN . 27875 1 899 . 2 . 2 4 4 ALA HA H 1 4.107 0 . 1 . . . . B 27 ALA HA . 27875 1 900 . 2 . 2 4 4 ALA HB1 H 1 1.456 0 . 1 . . . . B 27 ALA QB . 27875 1 901 . 2 . 2 4 4 ALA HB2 H 1 1.456 0 . 1 . . . . B 27 ALA QB . 27875 1 902 . 2 . 2 4 4 ALA HB3 H 1 1.456 0 . 1 . . . . B 27 ALA QB . 27875 1 903 . 2 . 2 4 4 ALA C C 13 180.65 0 . 1 . . . . B 27 ALA C . 27875 1 904 . 2 . 2 4 4 ALA CA C 13 55.222 0 . 1 . . . . B 27 ALA CA . 27875 1 905 . 2 . 2 4 4 ALA CB C 13 17.795 0 . 1 . . . . B 27 ALA CB . 27875 1 906 . 2 . 2 4 4 ALA N N 15 120.423 0 . 1 . . . . B 27 ALA N . 27875 1 907 . 2 . 2 5 5 ALA H H 1 7.905 0 . 1 . . . . B 28 ALA HN . 27875 1 908 . 2 . 2 5 5 ALA HA H 1 4.302 0 . 1 . . . . B 28 ALA HA . 27875 1 909 . 2 . 2 5 5 ALA HB1 H 1 1.616 0 . 1 . . . . B 28 ALA QB . 27875 1 910 . 2 . 2 5 5 ALA HB2 H 1 1.616 0 . 1 . . . . B 28 ALA QB . 27875 1 911 . 2 . 2 5 5 ALA HB3 H 1 1.616 0 . 1 . . . . B 28 ALA QB . 27875 1 912 . 2 . 2 5 5 ALA C C 13 180.086 0 . 1 . . . . B 28 ALA C . 27875 1 913 . 2 . 2 5 5 ALA CA C 13 54.728 0 . 1 . . . . B 28 ALA CA . 27875 1 914 . 2 . 2 5 5 ALA CB C 13 18.261 0 . 1 . . . . B 28 ALA CB . 27875 1 915 . 2 . 2 5 5 ALA N N 15 120.429 0 . 1 . . . . B 28 ALA N . 27875 1 916 . 2 . 2 6 6 ALA H H 1 7.918 0 . 1 . . . . B 29 ALA HN . 27875 1 917 . 2 . 2 6 6 ALA HA H 1 4.25 0 . 1 . . . . B 29 ALA HA . 27875 1 918 . 2 . 2 6 6 ALA HB1 H 1 1.604 0 . 1 . . . . B 29 ALA QB . 27875 1 919 . 2 . 2 6 6 ALA HB2 H 1 1.604 0 . 1 . . . . B 29 ALA QB . 27875 1 920 . 2 . 2 6 6 ALA HB3 H 1 1.604 0 . 1 . . . . B 29 ALA QB . 27875 1 921 . 2 . 2 6 6 ALA C C 13 178.753 0 . 1 . . . . B 29 ALA C . 27875 1 922 . 2 . 2 6 6 ALA CA C 13 55.145 0 . 1 . . . . B 29 ALA CA . 27875 1 923 . 2 . 2 6 6 ALA CB C 13 19.031 0 . 1 . . . . B 29 ALA CB . 27875 1 924 . 2 . 2 6 6 ALA N N 15 120.874 0 . 1 . . . . B 29 ALA N . 27875 1 925 . 2 . 2 7 7 LYS H H 1 8.619 0 . 1 . . . . B 30 LYS HN . 27875 1 926 . 2 . 2 7 7 LYS HA H 1 3.769 0 . 1 . . . . B 30 LYS HA . 27875 1 927 . 2 . 2 7 7 LYS HB2 H 1 2.085 0 . 2 . . . . B 30 LYS HB2 . 27875 1 928 . 2 . 2 7 7 LYS HB3 H 1 1.96 0 . 2 . . . . B 30 LYS HB3 . 27875 1 929 . 2 . 2 7 7 LYS HG2 H 1 1.343 0 . 2 . . . . B 30 LYS QG . 27875 1 930 . 2 . 2 7 7 LYS HG3 H 1 1.343 0 . 2 . . . . B 30 LYS QG . 27875 1 931 . 2 . 2 7 7 LYS HD2 H 1 1.73 0 . 2 . . . . B 30 LYS HD2 . 27875 1 932 . 2 . 2 7 7 LYS HD3 H 1 1.683 0 . 2 . . . . B 30 LYS HD3 . 27875 1 933 . 2 . 2 7 7 LYS HE2 H 1 3.05 0 . 2 . . . . B 30 LYS HE2 . 27875 1 934 . 2 . 2 7 7 LYS HE3 H 1 2.975 0 . 2 . . . . B 30 LYS HE3 . 27875 1 935 . 2 . 2 7 7 LYS C C 13 177.106 0 . 1 . . . . B 30 LYS C . 27875 1 936 . 2 . 2 7 7 LYS CA C 13 60.19 0 . 1 . . . . B 30 LYS CA . 27875 1 937 . 2 . 2 7 7 LYS CB C 13 33.37 0 . 1 . . . . B 30 LYS CB . 27875 1 938 . 2 . 2 7 7 LYS CG C 13 24.693 0 . 1 . . . . B 30 LYS CG . 27875 1 939 . 2 . 2 7 7 LYS CD C 13 30.044 0 . 1 . . . . B 30 LYS CD . 27875 1 940 . 2 . 2 7 7 LYS CE C 13 42.046 0 . 1 . . . . B 30 LYS CE . 27875 1 941 . 2 . 2 7 7 LYS N N 15 117.353 0 . 1 . . . . B 30 LYS N . 27875 1 942 . 2 . 2 8 8 HIS H H 1 7.833 0 . 1 . . . . B 31 HIS HN . 27875 1 943 . 2 . 2 8 8 HIS HA H 1 4.463 0 . 1 . . . . B 31 HIS HA . 27875 1 944 . 2 . 2 8 8 HIS HB2 H 1 3.271 0 . 2 . . . . B 31 HIS HB2 . 27875 1 945 . 2 . 2 8 8 HIS HB3 H 1 3.238 0 . 2 . . . . B 31 HIS HB3 . 27875 1 946 . 2 . 2 8 8 HIS HD2 H 1 7.007 0 . 1 . . . . B 31 HIS HD2 . 27875 1 947 . 2 . 2 8 8 HIS C C 13 177.559 0 . 1 . . . . B 31 HIS C . 27875 1 948 . 2 . 2 8 8 HIS CA C 13 58.623 0 . 1 . . . . B 31 HIS CA . 27875 1 949 . 2 . 2 8 8 HIS CB C 13 30.044 0 . 1 . . . . B 31 HIS CB . 27875 1 950 . 2 . 2 8 8 HIS N N 15 114.737 0 . 1 . . . . B 31 HIS N . 27875 1 951 . 2 . 2 9 9 LEU H H 1 8.044 0 . 1 . . . . B 32 LEU HN . 27875 1 952 . 2 . 2 9 9 LEU HA H 1 3.946 0 . 1 . . . . B 32 LEU HA . 27875 1 953 . 2 . 2 9 9 LEU HB2 H 1 2.199 0 . 2 . . . . B 32 LEU HB2 . 27875 1 954 . 2 . 2 9 9 LEU HB3 H 1 1.78 0 . 2 . . . . B 32 LEU HB3 . 27875 1 955 . 2 . 2 9 9 LEU HG H 1 2.018 0 . 1 . . . . B 32 LEU HG . 27875 1 956 . 2 . 2 9 9 LEU HD11 H 1 1.193 0 . 2 . . . . B 32 LEU QD1 . 27875 1 957 . 2 . 2 9 9 LEU HD12 H 1 1.193 0 . 2 . . . . B 32 LEU QD1 . 27875 1 958 . 2 . 2 9 9 LEU HD13 H 1 1.193 0 . 2 . . . . B 32 LEU QD1 . 27875 1 959 . 2 . 2 9 9 LEU HD21 H 1 1.017 0 . 2 . . . . B 32 LEU QD2 . 27875 1 960 . 2 . 2 9 9 LEU HD22 H 1 1.017 0 . 2 . . . . B 32 LEU QD2 . 27875 1 961 . 2 . 2 9 9 LEU HD23 H 1 1.017 0 . 2 . . . . B 32 LEU QD2 . 27875 1 962 . 2 . 2 9 9 LEU C C 13 178.485 0 . 1 . . . . B 32 LEU C . 27875 1 963 . 2 . 2 9 9 LEU CA C 13 58.083 0 . 1 . . . . B 32 LEU CA . 27875 1 964 . 2 . 2 9 9 LEU CB C 13 42.335 0 . 1 . . . . B 32 LEU CB . 27875 1 965 . 2 . 2 9 9 LEU CG C 13 27.73 0 . 1 . . . . B 32 LEU CG . 27875 1 966 . 2 . 2 9 9 LEU CD1 C 13 25.271 0 . 2 . . . . B 32 LEU CD1 . 27875 1 967 . 2 . 2 9 9 LEU CD2 C 13 23.681 0 . 2 . . . . B 32 LEU CD2 . 27875 1 968 . 2 . 2 9 9 LEU N N 15 119.214 0 . 1 . . . . B 32 LEU N . 27875 1 969 . 2 . 2 10 10 ILE H H 1 8.775 0 . 1 . . . . B 33 ILE HN . 27875 1 970 . 2 . 2 10 10 ILE HA H 1 3.72 0 . 1 . . . . B 33 ILE HA . 27875 1 971 . 2 . 2 10 10 ILE HB H 1 1.741 0 . 1 . . . . B 33 ILE HB . 27875 1 972 . 2 . 2 10 10 ILE HG12 H 1 1.608 0 . 2 . . . . B 33 ILE HG12 . 27875 1 973 . 2 . 2 10 10 ILE HG13 H 1 0.608 0 . 2 . . . . B 33 ILE HG13 . 27875 1 974 . 2 . 2 10 10 ILE HG21 H 1 0.743 0 . 1 . . . . B 33 ILE QG2 . 27875 1 975 . 2 . 2 10 10 ILE HG22 H 1 0.743 0 . 1 . . . . B 33 ILE QG2 . 27875 1 976 . 2 . 2 10 10 ILE HG23 H 1 0.743 0 . 1 . . . . B 33 ILE QG2 . 27875 1 977 . 2 . 2 10 10 ILE HD11 H 1 0.44 0 . 1 . . . . B 33 ILE QD1 . 27875 1 978 . 2 . 2 10 10 ILE HD12 H 1 0.44 0 . 1 . . . . B 33 ILE QD1 . 27875 1 979 . 2 . 2 10 10 ILE HD13 H 1 0.44 0 . 1 . . . . B 33 ILE QD1 . 27875 1 980 . 2 . 2 10 10 ILE C C 13 178.259 0 . 1 . . . . B 33 ILE C . 27875 1 981 . 2 . 2 10 10 ILE CA C 13 67.336 0 . 1 . . . . B 33 ILE CA . 27875 1 982 . 2 . 2 10 10 ILE CB C 13 37.563 0 . 1 . . . . B 33 ILE CB . 27875 1 983 . 2 . 2 10 10 ILE CG1 C 13 31.056 0 . 1 . . . . B 33 ILE CG1 . 27875 1 984 . 2 . 2 10 10 ILE CG2 C 13 17.318 0 . 1 . . . . B 33 ILE CG2 . 27875 1 985 . 2 . 2 10 10 ILE CD1 C 13 13.558 0 . 1 . . . . B 33 ILE CD1 . 27875 1 986 . 2 . 2 10 10 ILE N N 15 120.082 0 . 1 . . . . B 33 ILE N . 27875 1 987 . 2 . 2 11 11 GLU H H 1 8.286 0 . 1 . . . . B 34 GLU HN . 27875 1 988 . 2 . 2 11 11 GLU HA H 1 3.874 0 . 1 . . . . B 34 GLU HA . 27875 1 989 . 2 . 2 11 11 GLU HB2 H 1 2.421 0 . 2 . . . . B 34 GLU HB2 . 27875 1 990 . 2 . 2 11 11 GLU HB3 H 1 1.916 0 . 2 . . . . B 34 GLU HB3 . 27875 1 991 . 2 . 2 11 11 GLU HG2 H 1 2.548 0 . 2 . . . . B 34 GLU HG2 . 27875 1 992 . 2 . 2 11 11 GLU HG3 H 1 2.159 0 . 2 . . . . B 34 GLU HG3 . 27875 1 993 . 2 . 2 11 11 GLU C C 13 179.946 0 . 1 . . . . B 34 GLU C . 27875 1 994 . 2 . 2 11 11 GLU CA C 13 60.131 0 . 1 . . . . B 34 GLU CA . 27875 1 995 . 2 . 2 11 11 GLU CB C 13 28.887 0 . 1 . . . . B 34 GLU CB . 27875 1 996 . 2 . 2 11 11 GLU CG C 13 37.563 0 . 1 . . . . B 34 GLU CG . 27875 1 997 . 2 . 2 11 11 GLU N N 15 117.681 0 . 1 . . . . B 34 GLU N . 27875 1 998 . 2 . 2 12 12 ARG H H 1 8.181 0 . 1 . . . . B 35 ARG HN . 27875 1 999 . 2 . 2 12 12 ARG HA H 1 4.111 0 . 1 . . . . B 35 ARG HA . 27875 1 1000 . 2 . 2 12 12 ARG HB2 H 1 1.917 0 . 2 . . . . B 35 ARG HB2 . 27875 1 1001 . 2 . 2 12 12 ARG HB3 H 1 1.761 0 . 2 . . . . B 35 ARG HB3 . 27875 1 1002 . 2 . 2 12 12 ARG HG2 H 1 1.585 0 . 2 . . . . B 35 ARG HG2 . 27875 1 1003 . 2 . 2 12 12 ARG HG3 H 1 1.389 0 . 2 . . . . B 35 ARG HG3 . 27875 1 1004 . 2 . 2 12 12 ARG HD2 H 1 3.103 0 . 2 . . . . B 35 ARG HD2 . 27875 1 1005 . 2 . 2 12 12 ARG HD3 H 1 2.858 0 . 2 . . . . B 35 ARG HD3 . 27875 1 1006 . 2 . 2 12 12 ARG C C 13 180.337 0 . 1 . . . . B 35 ARG C . 27875 1 1007 . 2 . 2 12 12 ARG CA C 13 59.779 0 . 1 . . . . B 35 ARG CA . 27875 1 1008 . 2 . 2 12 12 ARG CB C 13 29.465 0 . 1 . . . . B 35 ARG CB . 27875 1 1009 . 2 . 2 12 12 ARG CG C 13 26.428 0 . 1 . . . . B 35 ARG CG . 27875 1 1010 . 2 . 2 12 12 ARG CD C 13 42.914 0 . 1 . . . . B 35 ARG CD . 27875 1 1011 . 2 . 2 12 12 ARG N N 15 121.682 0 . 1 . . . . B 35 ARG N . 27875 1 1012 . 2 . 2 13 13 TYR H H 1 9.011 0 . 1 . . . . B 36 TYR HN . 27875 1 1013 . 2 . 2 13 13 TYR HA H 1 4.171 0 . 1 . . . . B 36 TYR HA . 27875 1 1014 . 2 . 2 13 13 TYR HB2 H 1 3.23 0 . 2 . . . . B 36 TYR HB2 . 27875 1 1015 . 2 . 2 13 13 TYR HB3 H 1 3.012 0 . 2 . . . . B 36 TYR HB3 . 27875 1 1016 . 2 . 2 13 13 TYR HD1 H 1 7.059 0 . 3 . . . . B 36 TYR QD . 27875 1 1017 . 2 . 2 13 13 TYR HD2 H 1 7.059 0 . 3 . . . . B 36 TYR QD . 27875 1 1018 . 2 . 2 13 13 TYR HE1 H 1 6.574 0 . 3 . . . . B 36 TYR QE . 27875 1 1019 . 2 . 2 13 13 TYR HE2 H 1 6.574 0 . 3 . . . . B 36 TYR QE . 27875 1 1020 . 2 . 2 13 13 TYR C C 13 177.971 0 . 1 . . . . B 36 TYR C . 27875 1 1021 . 2 . 2 13 13 TYR CA C 13 63.264 0 . 1 . . . . B 36 TYR CA . 27875 1 1022 . 2 . 2 13 13 TYR CB C 13 38.72 0 . 1 . . . . B 36 TYR CB . 27875 1 1023 . 2 . 2 13 13 TYR N N 15 121.188 0 . 1 . . . . B 36 TYR N . 27875 1 1024 . 2 . 2 14 14 TYR H H 1 9.004 0 . 1 . . . . B 37 TYR HN . 27875 1 1025 . 2 . 2 14 14 TYR HA H 1 4.112 0 . 1 . . . . B 37 TYR HA . 27875 1 1026 . 2 . 2 14 14 TYR HB2 H 1 3.134 0 . 2 . . . . B 37 TYR HB2 . 27875 1 1027 . 2 . 2 14 14 TYR HB3 H 1 2.942 0 . 2 . . . . B 37 TYR HB3 . 27875 1 1028 . 2 . 2 14 14 TYR HD1 H 1 6.914 0 . 3 . . . . B 37 TYR QD . 27875 1 1029 . 2 . 2 14 14 TYR HD2 H 1 6.914 0 . 3 . . . . B 37 TYR QD . 27875 1 1030 . 2 . 2 14 14 TYR HE1 H 1 7.165 0 . 3 . . . . B 37 TYR QE . 27875 1 1031 . 2 . 2 14 14 TYR HE2 H 1 7.165 0 . 3 . . . . B 37 TYR QE . 27875 1 1032 . 2 . 2 14 14 TYR C C 13 178.66 0 . 1 . . . . B 37 TYR C . 27875 1 1033 . 2 . 2 14 14 TYR CA C 13 62.414 0 . 1 . . . . B 37 TYR CA . 27875 1 1034 . 2 . 2 14 14 TYR CB C 13 39.009 0 . 1 . . . . B 37 TYR CB . 27875 1 1035 . 2 . 2 14 14 TYR N N 15 119.74 0 . 1 . . . . B 37 TYR N . 27875 1 1036 . 2 . 2 15 15 HIS H H 1 8.822 0 . 1 . . . . B 38 HIS HN . 27875 1 1037 . 2 . 2 15 15 HIS HA H 1 3.952 0 . 1 . . . . B 38 HIS HA . 27875 1 1038 . 2 . 2 15 15 HIS HB2 H 1 3.372 0 . 2 . . . . B 38 HIS HB2 . 27875 1 1039 . 2 . 2 15 15 HIS HB3 H 1 3.343 0 . 2 . . . . B 38 HIS HB3 . 27875 1 1040 . 2 . 2 15 15 HIS HD2 H 1 7.101 0 . 1 . . . . B 38 HIS HD2 . 27875 1 1041 . 2 . 2 15 15 HIS C C 13 177.103 0 . 1 . . . . B 38 HIS C . 27875 1 1042 . 2 . 2 15 15 HIS CA C 13 60.455 0 . 1 . . . . B 38 HIS CA . 27875 1 1043 . 2 . 2 15 15 HIS CB C 13 29.908 0 . 1 . . . . B 38 HIS CB . 27875 1 1044 . 2 . 2 15 15 HIS N N 15 120.082 0 . 1 . . . . B 38 HIS N . 27875 1 1045 . 2 . 2 16 16 GLN H H 1 8.481 0 . 1 . . . . B 39 GLN HN . 27875 1 1046 . 2 . 2 16 16 GLN HA H 1 3.775 0 . 1 . . . . B 39 GLN HA . 27875 1 1047 . 2 . 2 16 16 GLN HB2 H 1 2.564 0 . 2 . . . . B 39 GLN HB2 . 27875 1 1048 . 2 . 2 16 16 GLN HB3 H 1 2.311 0 . 2 . . . . B 39 GLN HB3 . 27875 1 1049 . 2 . 2 16 16 GLN HG2 H 1 2.943 0 . 2 . . . . B 39 GLN HG2 . 27875 1 1050 . 2 . 2 16 16 GLN HG3 H 1 2.741 0 . 2 . . . . B 39 GLN HG3 . 27875 1 1051 . 2 . 2 16 16 GLN HE21 H 1 7.316 0 . 2 . . . . B 39 GLN HE21 . 27875 1 1052 . 2 . 2 16 16 GLN HE22 H 1 7.244 0 . 2 . . . . B 39 GLN HE22 . 27875 1 1053 . 2 . 2 16 16 GLN C C 13 176.262 0 . 1 . . . . B 39 GLN C . 27875 1 1054 . 2 . 2 16 16 GLN CA C 13 60.224 0 . 1 . . . . B 39 GLN CA . 27875 1 1055 . 2 . 2 16 16 GLN CB C 13 30.622 0 . 1 . . . . B 39 GLN CB . 27875 1 1056 . 2 . 2 16 16 GLN CG C 13 35.25 0 . 1 . . . . B 39 GLN CG . 27875 1 1057 . 2 . 2 16 16 GLN N N 15 121.836 0 . 1 . . . . B 39 GLN N . 27875 1 1058 . 2 . 2 16 16 GLN NE2 N 15 108.395 0 . 1 . . . . B 39 GLN NE2 . 27875 1 1059 . 2 . 2 17 17 LEU H H 1 7.961 0 . 1 . . . . B 40 LEU HN . 27875 1 1060 . 2 . 2 17 17 LEU HA H 1 4.023 0 . 1 . . . . B 40 LEU HA . 27875 1 1061 . 2 . 2 17 17 LEU HB2 H 1 1.986 0 . 2 . . . . B 40 LEU HB2 . 27875 1 1062 . 2 . 2 17 17 LEU HB3 H 1 1.683 0 . 2 . . . . B 40 LEU HB3 . 27875 1 1063 . 2 . 2 17 17 LEU HG H 1 2.077 0 . 1 . . . . B 40 LEU HG . 27875 1 1064 . 2 . 2 17 17 LEU HD11 H 1 0.997 0 . 2 . . . . B 40 LEU QD1 . 27875 1 1065 . 2 . 2 17 17 LEU HD12 H 1 0.997 0 . 2 . . . . B 40 LEU QD1 . 27875 1 1066 . 2 . 2 17 17 LEU HD13 H 1 0.997 0 . 2 . . . . B 40 LEU QD1 . 27875 1 1067 . 2 . 2 17 17 LEU HD21 H 1 1.214 0 . 2 . . . . B 40 LEU QD2 . 27875 1 1068 . 2 . 2 17 17 LEU HD22 H 1 1.214 0 . 2 . . . . B 40 LEU QD2 . 27875 1 1069 . 2 . 2 17 17 LEU HD23 H 1 1.214 0 . 2 . . . . B 40 LEU QD2 . 27875 1 1070 . 2 . 2 17 17 LEU C C 13 175.565 0 . 1 . . . . B 40 LEU C . 27875 1 1071 . 2 . 2 17 17 LEU CA C 13 56.474 0 . 1 . . . . B 40 LEU CA . 27875 1 1072 . 2 . 2 17 17 LEU CB C 13 45.228 0 . 1 . . . . B 40 LEU CB . 27875 1 1073 . 2 . 2 17 17 LEU CG C 13 27.007 0 . 1 . . . . B 40 LEU CG . 27875 1 1074 . 2 . 2 17 17 LEU CD1 C 13 27.441 0 . 2 . . . . B 40 LEU CD1 . 27875 1 1075 . 2 . 2 17 17 LEU CD2 C 13 23.97 0 . 2 . . . . B 40 LEU CD2 . 27875 1 1076 . 2 . 2 17 17 LEU N N 15 116.91 0 . 1 . . . . B 40 LEU N . 27875 1 1077 . 2 . 2 18 18 THR H H 1 7.166 0 . 1 . . . . B 41 THR HN . 27875 1 1078 . 2 . 2 18 18 THR HA H 1 4.267 0 . 1 . . . . B 41 THR HA . 27875 1 1079 . 2 . 2 18 18 THR HB H 1 3.898 0 . 1 . . . . B 41 THR HB . 27875 1 1080 . 2 . 2 18 18 THR HG21 H 1 0.606 0 . 1 . . . . B 41 THR QG2 . 27875 1 1081 . 2 . 2 18 18 THR HG22 H 1 0.606 0 . 1 . . . . B 41 THR QG2 . 27875 1 1082 . 2 . 2 18 18 THR HG23 H 1 0.606 0 . 1 . . . . B 41 THR QG2 . 27875 1 1083 . 2 . 2 18 18 THR C C 13 174.935 0 . 1 . . . . B 41 THR C . 27875 1 1084 . 2 . 2 18 18 THR CA C 13 61.304 0 . 1 . . . . B 41 THR CA . 27875 1 1085 . 2 . 2 18 18 THR CB C 13 70.397 0 . 1 . . . . B 41 THR CB . 27875 1 1086 . 2 . 2 18 18 THR CG2 C 13 21.222 0 . 1 . . . . B 41 THR CG2 . 27875 1 1087 . 2 . 2 18 18 THR N N 15 104.765 0 . 1 . . . . B 41 THR N . 27875 1 1088 . 2 . 2 19 19 GLU H H 1 8.122 0 . 1 . . . . B 42 GLU HN . 27875 1 1089 . 2 . 2 19 19 GLU HA H 1 4.243 0 . 1 . . . . B 42 GLU HA . 27875 1 1090 . 2 . 2 19 19 GLU HB2 H 1 1.742 0 . 2 . . . . B 42 GLU HB2 . 27875 1 1091 . 2 . 2 19 19 GLU HB3 H 1 1.191 0 . 2 . . . . B 42 GLU HB3 . 27875 1 1092 . 2 . 2 19 19 GLU HG2 H 1 2.095 0 . 2 . . . . B 42 GLU QG . 27875 1 1093 . 2 . 2 19 19 GLU HG3 H 1 2.095 0 . 2 . . . . B 42 GLU QG . 27875 1 1094 . 2 . 2 19 19 GLU C C 13 177.456 0 . 1 . . . . B 42 GLU C . 27875 1 1095 . 2 . 2 19 19 GLU CA C 13 56.73 0 . 1 . . . . B 42 GLU CA . 27875 1 1096 . 2 . 2 19 19 GLU CB C 13 31.056 0 . 1 . . . . B 42 GLU CB . 27875 1 1097 . 2 . 2 19 19 GLU CG C 13 36.117 0 . 1 . . . . B 42 GLU CG . 27875 1 1098 . 2 . 2 19 19 GLU N N 15 121.828 0 . 1 . . . . B 42 GLU N . 27875 1 1099 . 2 . 2 20 20 GLY H H 1 7.64 0 . 1 . . . . B 43 GLY HN . 27875 1 1100 . 2 . 2 20 20 GLY HA2 H 1 4.662 0 . 2 . . . . B 43 GLY HA1 . 27875 1 1101 . 2 . 2 20 20 GLY HA3 H 1 4.44 0 . 2 . . . . B 43 GLY HA2 . 27875 1 1102 . 2 . 2 20 20 GLY C C 13 172.961 0 . 1 . . . . B 43 GLY C . 27875 1 1103 . 2 . 2 20 20 GLY CA C 13 44.071 0 . 1 . . . . B 43 GLY CA . 27875 1 1104 . 2 . 2 20 20 GLY N N 15 107.501 0 . 1 . . . . B 43 GLY N . 27875 1 1105 . 2 . 2 21 21 CYS H H 1 7.513 0 . 1 . . . . B 44 CYS HN . 27875 1 1106 . 2 . 2 21 21 CYS HA H 1 4.576 0 . 1 . . . . B 44 CYS HA . 27875 1 1107 . 2 . 2 21 21 CYS HB2 H 1 3.23 0 . 2 . . . . B 44 CYS HB2 . 27875 1 1108 . 2 . 2 21 21 CYS HB3 H 1 2.92 0 . 2 . . . . B 44 CYS HB3 . 27875 1 1109 . 2 . 2 21 21 CYS C C 13 176.99 0 . 1 . . . . B 44 CYS C . 27875 1 1110 . 2 . 2 21 21 CYS CA C 13 58.585 0 . 1 . . . . B 44 CYS CA . 27875 1 1111 . 2 . 2 21 21 CYS CB C 13 31.49 0 . 1 . . . . B 44 CYS CB . 27875 1 1112 . 2 . 2 21 21 CYS N N 15 117.919 0 . 1 . . . . B 44 CYS N . 27875 1 1113 . 2 . 2 22 22 GLY H H 1 8.706 0 . 1 . . . . B 45 GLY HN . 27875 1 1114 . 2 . 2 22 22 GLY HA2 H 1 4.325 0 . 2 . . . . B 45 GLY HA1 . 27875 1 1115 . 2 . 2 22 22 GLY HA3 H 1 3.594 0 . 2 . . . . B 45 GLY HA2 . 27875 1 1116 . 2 . 2 22 22 GLY C C 13 173.638 0 . 1 . . . . B 45 GLY C . 27875 1 1117 . 2 . 2 22 22 GLY CA C 13 45.083 0 . 1 . . . . B 45 GLY CA . 27875 1 1118 . 2 . 2 22 22 GLY N N 15 112.648 0 . 1 . . . . B 45 GLY N . 27875 1 1119 . 2 . 2 23 23 ASN H H 1 8.414 0 . 1 . . . . B 46 ASN HN . 27875 1 1120 . 2 . 2 23 23 ASN HA H 1 4.583 0 . 1 . . . . B 46 ASN HA . 27875 1 1121 . 2 . 2 23 23 ASN HB2 H 1 3.065 0 . 2 . . . . B 46 ASN HB2 . 27875 1 1122 . 2 . 2 23 23 ASN HB3 H 1 2.674 0 . 2 . . . . B 46 ASN HB3 . 27875 1 1123 . 2 . 2 23 23 ASN HD21 H 1 7.634 0 . 2 . . . . B 46 ASN HD21 . 27875 1 1124 . 2 . 2 23 23 ASN HD22 H 1 6.83 0 . 2 . . . . B 46 ASN HD22 . 27875 1 1125 . 2 . 2 23 23 ASN C C 13 175.079 0 . 1 . . . . B 46 ASN C . 27875 1 1126 . 2 . 2 23 23 ASN CA C 13 51.721 0 . 1 . . . . B 46 ASN CA . 27875 1 1127 . 2 . 2 23 23 ASN CB C 13 38.865 0 . 1 . . . . B 46 ASN CB . 27875 1 1128 . 2 . 2 23 23 ASN N N 15 121.872 0 . 1 . . . . B 46 ASN N . 27875 1 1129 . 2 . 2 23 23 ASN ND2 N 15 113.333 0 . 1 . . . . B 46 ASN ND2 . 27875 1 1130 . 2 . 2 24 24 GLU H H 1 8.863 0 . 1 . . . . B 47 GLU HN . 27875 1 1131 . 2 . 2 24 24 GLU HA H 1 4.239 0 . 1 . . . . B 47 GLU HA . 27875 1 1132 . 2 . 2 24 24 GLU HB2 H 1 2.115 0 . 2 . . . . B 47 GLU HB2 . 27875 1 1133 . 2 . 2 24 24 GLU HB3 H 1 2.036 0 . 2 . . . . B 47 GLU HB3 . 27875 1 1134 . 2 . 2 24 24 GLU HG2 H 1 2.312 0 . 2 . . . . B 47 GLU QG . 27875 1 1135 . 2 . 2 24 24 GLU HG3 H 1 2.312 0 . 2 . . . . B 47 GLU QG . 27875 1 1136 . 2 . 2 24 24 GLU C C 13 175.789 0 . 1 . . . . B 47 GLU C . 27875 1 1137 . 2 . 2 24 24 GLU CA C 13 57.961 0 . 1 . . . . B 47 GLU CA . 27875 1 1138 . 2 . 2 24 24 GLU CB C 13 29.099 0 . 1 . . . . B 47 GLU CB . 27875 1 1139 . 2 . 2 24 24 GLU CG C 13 36.117 0 . 1 . . . . B 47 GLU CG . 27875 1 1140 . 2 . 2 24 24 GLU N N 15 124.462 0 . 1 . . . . B 47 GLU N . 27875 1 1141 . 2 . 2 25 25 ALA H H 1 7.978 0 . 1 . . . . B 48 ALA HN . 27875 1 1142 . 2 . 2 25 25 ALA HA H 1 4.444 0 . 1 . . . . B 48 ALA HA . 27875 1 1143 . 2 . 2 25 25 ALA HB1 H 1 1.32 0 . 1 . . . . B 48 ALA QB . 27875 1 1144 . 2 . 2 25 25 ALA HB2 H 1 1.32 0 . 1 . . . . B 48 ALA QB . 27875 1 1145 . 2 . 2 25 25 ALA HB3 H 1 1.32 0 . 1 . . . . B 48 ALA QB . 27875 1 1146 . 2 . 2 25 25 ALA C C 13 175.841 0 . 1 . . . . B 48 ALA C . 27875 1 1147 . 2 . 2 25 25 ALA CA C 13 50.188 0 . 1 . . . . B 48 ALA CA . 27875 1 1148 . 2 . 2 25 25 ALA CB C 13 18.253 0 . 1 . . . . B 48 ALA CB . 27875 1 1149 . 2 . 2 25 25 ALA N N 15 122.051 0 . 1 . . . . B 48 ALA N . 27875 1 1150 . 2 . 2 26 26 CYS H H 1 7.418 0 . 1 . . . . B 49 CYS HN . 27875 1 1151 . 2 . 2 26 26 CYS HA H 1 3.84 0 . 1 . . . . B 49 CYS HA . 27875 1 1152 . 2 . 2 26 26 CYS HB2 H 1 3.061 0 . 2 . . . . B 49 CYS HB2 . 27875 1 1153 . 2 . 2 26 26 CYS HB3 H 1 2.32 0 . 2 . . . . B 49 CYS HB3 . 27875 1 1154 . 2 . 2 26 26 CYS C C 13 176.057 0 . 1 . . . . B 49 CYS C . 27875 1 1155 . 2 . 2 26 26 CYS CA C 13 62.712 0 . 1 . . . . B 49 CYS CA . 27875 1 1156 . 2 . 2 26 26 CYS CB C 13 29.61 0 . 1 . . . . B 49 CYS CB . 27875 1 1157 . 2 . 2 26 26 CYS N N 15 124.137 0 . 1 . . . . B 49 CYS N . 27875 1 1158 . 2 . 2 27 27 THR H H 1 7.894 0 . 1 . . . . B 50 THR HN . 27875 1 1159 . 2 . 2 27 27 THR HA H 1 4.586 0 . 1 . . . . B 50 THR HA . 27875 1 1160 . 2 . 2 27 27 THR HB H 1 4.59 0 . 1 . . . . B 50 THR HB . 27875 1 1161 . 2 . 2 27 27 THR HG21 H 1 1.256 0 . 1 . . . . B 50 THR QG2 . 27875 1 1162 . 2 . 2 27 27 THR HG22 H 1 1.256 0 . 1 . . . . B 50 THR QG2 . 27875 1 1163 . 2 . 2 27 27 THR HG23 H 1 1.256 0 . 1 . . . . B 50 THR QG2 . 27875 1 1164 . 2 . 2 27 27 THR C C 13 174.991 0 . 1 . . . . B 50 THR C . 27875 1 1165 . 2 . 2 27 27 THR CA C 13 61.02 0 . 1 . . . . B 50 THR CA . 27875 1 1166 . 2 . 2 27 27 THR CB C 13 69.681 0 . 1 . . . . B 50 THR CB . 27875 1 1167 . 2 . 2 27 27 THR CG2 C 13 21.367 0 . 1 . . . . B 50 THR CG2 . 27875 1 1168 . 2 . 2 27 27 THR N N 15 115.393 0 . 1 . . . . B 50 THR N . 27875 1 1169 . 2 . 2 28 28 ASN H H 1 9.37 0 . 1 . . . . B 51 ASN HN . 27875 1 1170 . 2 . 2 28 28 ASN HA H 1 4.493 0 . 1 . . . . B 51 ASN HA . 27875 1 1171 . 2 . 2 28 28 ASN HB2 H 1 3.353 0 . 2 . . . . B 51 ASN HB2 . 27875 1 1172 . 2 . 2 28 28 ASN HB3 H 1 2.672 0 . 2 . . . . B 51 ASN HB3 . 27875 1 1173 . 2 . 2 28 28 ASN HD21 H 1 8.486 0 . 2 . . . . B 51 ASN HD21 . 27875 1 1174 . 2 . 2 28 28 ASN HD22 H 1 6.512 0 . 2 . . . . B 51 ASN HD22 . 27875 1 1175 . 2 . 2 28 28 ASN C C 13 174.243 0 . 1 . . . . B 51 ASN C . 27875 1 1176 . 2 . 2 28 28 ASN CA C 13 53.092 0 . 1 . . . . B 51 ASN CA . 27875 1 1177 . 2 . 2 28 28 ASN CB C 13 38.485 0 . 1 . . . . B 51 ASN CB . 27875 1 1178 . 2 . 2 28 28 ASN N N 15 127.737 0 . 1 . . . . B 51 ASN N . 27875 1 1179 . 2 . 2 28 28 ASN ND2 N 15 114.29 0 . 1 . . . . B 51 ASN ND2 . 27875 1 1180 . 2 . 2 29 29 GLU H H 1 8.555 0 . 1 . . . . B 52 GLU HN . 27875 1 1181 . 2 . 2 29 29 GLU HA H 1 4.083 0 . 1 . . . . B 52 GLU HA . 27875 1 1182 . 2 . 2 29 29 GLU HB2 H 1 1.814 0 . 2 . . . . B 52 GLU HB2 . 27875 1 1183 . 2 . 2 29 29 GLU HB3 H 1 1.702 0 . 2 . . . . B 52 GLU HB3 . 27875 1 1184 . 2 . 2 29 29 GLU HG2 H 1 1.563 0 . 2 . . . . B 52 GLU HG2 . 27875 1 1185 . 2 . 2 29 29 GLU HG3 H 1 1.285 0 . 2 . . . . B 52 GLU HG3 . 27875 1 1186 . 2 . 2 29 29 GLU C C 13 175.852 0 . 1 . . . . B 52 GLU C . 27875 1 1187 . 2 . 2 29 29 GLU CA C 13 58.12 0 . 1 . . . . B 52 GLU CA . 27875 1 1188 . 2 . 2 29 29 GLU CB C 13 28.982 0 . 1 . . . . B 52 GLU CB . 27875 1 1189 . 2 . 2 29 29 GLU CG C 13 35.105 0 . 1 . . . . B 52 GLU CG . 27875 1 1190 . 2 . 2 29 29 GLU N N 15 123.841 0 . 1 . . . . B 52 GLU N . 27875 1 1191 . 2 . 2 30 30 PHE H H 1 7.47 0 . 1 . . . . B 53 PHE HN . 27875 1 1192 . 2 . 2 30 30 PHE HA H 1 4.965 0 . 1 . . . . B 53 PHE HA . 27875 1 1193 . 2 . 2 30 30 PHE HB2 H 1 3.689 0 . 2 . . . . B 53 PHE HB2 . 27875 1 1194 . 2 . 2 30 30 PHE HB3 H 1 2.689 0 . 2 . . . . B 53 PHE HB3 . 27875 1 1195 . 2 . 2 30 30 PHE HD1 H 1 7.325 0 . 3 . . . . B 53 PHE QD . 27875 1 1196 . 2 . 2 30 30 PHE HD2 H 1 7.325 0 . 3 . . . . B 53 PHE QD . 27875 1 1197 . 2 . 2 30 30 PHE HE1 H 1 7.355 0 . 3 . . . . B 53 PHE QE . 27875 1 1198 . 2 . 2 30 30 PHE HE2 H 1 7.355 0 . 3 . . . . B 53 PHE QE . 27875 1 1199 . 2 . 2 30 30 PHE HZ H 1 7.238 0 . 1 . . . . B 53 PHE HZ . 27875 1 1200 . 2 . 2 30 30 PHE C C 13 171.992 0 . 1 . . . . B 53 PHE C . 27875 1 1201 . 2 . 2 30 30 PHE CA C 13 56.142 0 . 1 . . . . B 53 PHE CA . 27875 1 1202 . 2 . 2 30 30 PHE CB C 13 38.142 0 . 1 . . . . B 53 PHE CB . 27875 1 1203 . 2 . 2 30 30 PHE N N 15 117.393 0 . 1 . . . . B 53 PHE N . 27875 1 1204 . 2 . 2 31 31 CYS H H 1 7.435 0 . 1 . . . . B 54 CYS HN . 27875 1 1205 . 2 . 2 31 31 CYS HA H 1 4.324 0 . 1 . . . . B 54 CYS HA . 27875 1 1206 . 2 . 2 31 31 CYS HB2 H 1 3.371 0 . 2 . . . . B 54 CYS HB2 . 27875 1 1207 . 2 . 2 31 31 CYS HB3 H 1 2.448 0 . 2 . . . . B 54 CYS HB3 . 27875 1 1208 . 2 . 2 31 31 CYS C C 13 174.379 0 . 1 . . . . B 54 CYS C . 27875 1 1209 . 2 . 2 31 31 CYS CA C 13 57.284 0 . 1 . . . . B 54 CYS CA . 27875 1 1210 . 2 . 2 31 31 CYS CB C 13 33.264 0 . 1 . . . . B 54 CYS CB . 27875 1 1211 . 2 . 2 31 31 CYS N N 15 121.946 0 . 1 . . . . B 54 CYS N . 27875 1 1212 . 2 . 2 32 32 ALA H H 1 7.918 0 . 1 . . . . B 55 ALA HN . 27875 1 1213 . 2 . 2 32 32 ALA HA H 1 3.108 0 . 1 . . . . B 55 ALA HA . 27875 1 1214 . 2 . 2 32 32 ALA HB1 H 1 0.685 0 . 1 . . . . B 55 ALA QB . 27875 1 1215 . 2 . 2 32 32 ALA HB2 H 1 0.685 0 . 1 . . . . B 55 ALA QB . 27875 1 1216 . 2 . 2 32 32 ALA HB3 H 1 0.685 0 . 1 . . . . B 55 ALA QB . 27875 1 1217 . 2 . 2 32 32 ALA C C 13 178.753 0 . 1 . . . . B 55 ALA C . 27875 1 1218 . 2 . 2 32 32 ALA CA C 13 53.033 0 . 1 . . . . B 55 ALA CA . 27875 1 1219 . 2 . 2 32 32 ALA CB C 13 16.884 0 . 1 . . . . B 55 ALA CB . 27875 1 1220 . 2 . 2 32 32 ALA N N 15 128.067 0 . 1 . . . . B 55 ALA N . 27875 1 1221 . 2 . 2 33 33 SER H H 1 9.583 0 . 1 . . . . B 56 SER HN . 27875 1 1222 . 2 . 2 33 33 SER HA H 1 4.368 0 . 1 . . . . B 56 SER HA . 27875 1 1223 . 2 . 2 33 33 SER HB2 H 1 4.08 0 . 2 . . . . B 56 SER QB . 27875 1 1224 . 2 . 2 33 33 SER HB3 H 1 4.08 0 . 2 . . . . B 56 SER QB . 27875 1 1225 . 2 . 2 33 33 SER C C 13 173.443 0 . 1 . . . . B 56 SER C . 27875 1 1226 . 2 . 2 33 33 SER CA C 13 60.797 0 . 1 . . . . B 56 SER CA . 27875 1 1227 . 2 . 2 33 33 SER CB C 13 63.547 0 . 1 . . . . B 56 SER CB . 27875 1 1228 . 2 . 2 33 33 SER N N 15 119.119 0 . 1 . . . . B 56 SER N . 27875 1 1229 . 2 . 2 34 34 CYS H H 1 8.03 0 . 1 . . . . B 57 CYS HN . 27875 1 1230 . 2 . 2 34 34 CYS HA H 1 4.737 0 . 1 . . . . B 57 CYS HA . 27875 1 1231 . 2 . 2 34 34 CYS HB2 H 1 3.062 0 . 2 . . . . B 57 CYS HB2 . 27875 1 1232 . 2 . 2 34 34 CYS HB3 H 1 3.025 0 . 2 . . . . B 57 CYS HB3 . 27875 1 1233 . 2 . 2 34 34 CYS C C 13 176.826 0 . 1 . . . . B 57 CYS C . 27875 1 1234 . 2 . 2 34 34 CYS CA C 13 55.764 0 . 1 . . . . B 57 CYS CA . 27875 1 1235 . 2 . 2 34 34 CYS CB C 13 27.585 0 . 1 . . . . B 57 CYS CB . 27875 1 1236 . 2 . 2 34 34 CYS N N 15 124.791 0 . 1 . . . . B 57 CYS N . 27875 1 1237 . 2 . 2 35 35 PRO HA H 1 4.474 0 . 1 . . . . B 58 PRO HA . 27875 1 1238 . 2 . 2 35 35 PRO HB2 H 1 2.513 0 . 2 . . . . B 58 PRO HB2 . 27875 1 1239 . 2 . 2 35 35 PRO HB3 H 1 2.035 0 . 2 . . . . B 58 PRO HB3 . 27875 1 1240 . 2 . 2 35 35 PRO HG2 H 1 2.172 0 . 2 . . . . B 58 PRO HG2 . 27875 1 1241 . 2 . 2 35 35 PRO HG3 H 1 2.083 0 . 2 . . . . B 58 PRO HG3 . 27875 1 1242 . 2 . 2 35 35 PRO HD2 H 1 4.127 0 . 2 . . . . B 58 PRO QD . 27875 1 1243 . 2 . 2 35 35 PRO HD3 H 1 4.127 0 . 2 . . . . B 58 PRO QD . 27875 1 1244 . 2 . 2 35 35 PRO C C 13 177.738 0 . 1 . . . . B 58 PRO C . 27875 1 1245 . 2 . 2 35 35 PRO CA C 13 65.091 0 . 1 . . . . B 58 PRO CA . 27875 1 1246 . 2 . 2 35 35 PRO CB C 13 32.678 0 . 1 . . . . B 58 PRO CB . 27875 1 1247 . 2 . 2 35 35 PRO CG C 13 27.441 0 . 1 . . . . B 58 PRO CG . 27875 1 1248 . 2 . 2 35 35 PRO CD C 13 51.867 0 . 1 . . . . B 58 PRO CD . 27875 1 1249 . 2 . 2 36 36 THR H H 1 7.535 0 . 1 . . . . B 59 THR HN . 27875 1 1250 . 2 . 2 36 36 THR HA H 1 4.387 0 . 1 . . . . B 59 THR HA . 27875 1 1251 . 2 . 2 36 36 THR HB H 1 4.521 0 . 1 . . . . B 59 THR HB . 27875 1 1252 . 2 . 2 36 36 THR HG21 H 1 1.134 0 . 1 . . . . B 59 THR QG2 . 27875 1 1253 . 2 . 2 36 36 THR HG22 H 1 1.134 0 . 1 . . . . B 59 THR QG2 . 27875 1 1254 . 2 . 2 36 36 THR HG23 H 1 1.134 0 . 1 . . . . B 59 THR QG2 . 27875 1 1255 . 2 . 2 36 36 THR C C 13 174.263 0 . 1 . . . . B 59 THR C . 27875 1 1256 . 2 . 2 36 36 THR CA C 13 61.128 0 . 1 . . . . B 59 THR CA . 27875 1 1257 . 2 . 2 36 36 THR CB C 13 68.063 0 . 1 . . . . B 59 THR CB . 27875 1 1258 . 2 . 2 36 36 THR CG2 C 13 21.656 0 . 1 . . . . B 59 THR CG2 . 27875 1 1259 . 2 . 2 36 36 THR N N 15 107.069 0 . 1 . . . . B 59 THR N . 27875 1 1260 . 2 . 2 37 37 PHE H H 1 7.782 0 . 1 . . . . B 60 PHE HN . 27875 1 1261 . 2 . 2 37 37 PHE HA H 1 4.268 0 . 1 . . . . B 60 PHE HA . 27875 1 1262 . 2 . 2 37 37 PHE HB2 H 1 3.163 0 . 2 . . . . B 60 PHE HB2 . 27875 1 1263 . 2 . 2 37 37 PHE HB3 H 1 2.907 0 . 2 . . . . B 60 PHE HB3 . 27875 1 1264 . 2 . 2 37 37 PHE HD1 H 1 7.093 0 . 3 . . . . B 60 PHE QD . 27875 1 1265 . 2 . 2 37 37 PHE HD2 H 1 7.093 0 . 3 . . . . B 60 PHE QD . 27875 1 1266 . 2 . 2 37 37 PHE HE1 H 1 7.282 0 . 3 . . . . B 60 PHE QE . 27875 1 1267 . 2 . 2 37 37 PHE HE2 H 1 7.282 0 . 3 . . . . B 60 PHE QE . 27875 1 1268 . 2 . 2 37 37 PHE HZ H 1 7.449 0 . 1 . . . . B 60 PHE HZ . 27875 1 1269 . 2 . 2 37 37 PHE C C 13 175.073 0 . 1 . . . . B 60 PHE C . 27875 1 1270 . 2 . 2 37 37 PHE CA C 13 58.958 0 . 1 . . . . B 60 PHE CA . 27875 1 1271 . 2 . 2 37 37 PHE CB C 13 40.889 0 . 1 . . . . B 60 PHE CB . 27875 1 1272 . 2 . 2 37 37 PHE N N 15 124.902 0 . 1 . . . . B 60 PHE N . 27875 1 1273 . 2 . 2 38 38 LEU H H 1 7.511 0 . 1 . . . . B 61 LEU HN . 27875 1 1274 . 2 . 2 38 38 LEU HA H 1 4.385 0 . 1 . . . . B 61 LEU HA . 27875 1 1275 . 2 . 2 38 38 LEU HB2 H 1 1.389 0 . 2 . . . . B 61 LEU HB2 . 27875 1 1276 . 2 . 2 38 38 LEU HB3 H 1 1.313 0 . 2 . . . . B 61 LEU HB3 . 27875 1 1277 . 2 . 2 38 38 LEU HG H 1 1.507 0 . 1 . . . . B 61 LEU HG . 27875 1 1278 . 2 . 2 38 38 LEU HD11 H 1 0.879 0 . 2 . . . . B 61 LEU QD1 . 27875 1 1279 . 2 . 2 38 38 LEU HD12 H 1 0.879 0 . 2 . . . . B 61 LEU QD1 . 27875 1 1280 . 2 . 2 38 38 LEU HD13 H 1 0.879 0 . 2 . . . . B 61 LEU QD1 . 27875 1 1281 . 2 . 2 38 38 LEU HD21 H 1 0.802 0 . 2 . . . . B 61 LEU QD2 . 27875 1 1282 . 2 . 2 38 38 LEU HD22 H 1 0.802 0 . 2 . . . . B 61 LEU QD2 . 27875 1 1283 . 2 . 2 38 38 LEU HD23 H 1 0.802 0 . 2 . . . . B 61 LEU QD2 . 27875 1 1284 . 2 . 2 38 38 LEU C C 13 174.246 0 . 1 . . . . B 61 LEU C . 27875 1 1285 . 2 . 2 38 38 LEU CA C 13 52.988 0 . 1 . . . . B 61 LEU CA . 27875 1 1286 . 2 . 2 38 38 LEU CB C 13 41.242 0 . 1 . . . . B 61 LEU CB . 27875 1 1287 . 2 . 2 38 38 LEU CG C 13 26.428 0 . 1 . . . . B 61 LEU CG . 27875 1 1288 . 2 . 2 38 38 LEU CD1 C 13 24.548 0 . 2 . . . . B 61 LEU CD1 . 27875 1 1289 . 2 . 2 38 38 LEU CD2 C 13 23.825 0 . 2 . . . . B 61 LEU CD2 . 27875 1 1290 . 2 . 2 38 38 LEU N N 15 130.81 0 . 1 . . . . B 61 LEU N . 27875 1 1291 . 2 . 2 39 39 ARG H H 1 7.952 0 . 1 . . . . B 62 ARG HN . 27875 1 1292 . 2 . 2 39 39 ARG HA H 1 4.074 0 . 1 . . . . B 62 ARG HA . 27875 1 1293 . 2 . 2 39 39 ARG HB2 H 1 1.82 0 . 2 . . . . B 62 ARG QB . 27875 1 1294 . 2 . 2 39 39 ARG HB3 H 1 1.82 0 . 2 . . . . B 62 ARG QB . 27875 1 1295 . 2 . 2 39 39 ARG HG2 H 1 1.911 0 . 2 . . . . B 62 ARG HG2 . 27875 1 1296 . 2 . 2 39 39 ARG HG3 H 1 1.799 0 . 2 . . . . B 62 ARG HG3 . 27875 1 1297 . 2 . 2 39 39 ARG HD2 H 1 3.315 0 . 2 . . . . B 62 ARG QD . 27875 1 1298 . 2 . 2 39 39 ARG HD3 H 1 3.315 0 . 2 . . . . B 62 ARG QD . 27875 1 1299 . 2 . 2 39 39 ARG HE H 1 7.37 0 . 1 . . . . B 62 ARG HE . 27875 1 1300 . 2 . 2 39 39 ARG C C 13 175.779 0 . 1 . . . . B 62 ARG C . 27875 1 1301 . 2 . 2 39 39 ARG CA C 13 57.395 0 . 1 . . . . B 62 ARG CA . 27875 1 1302 . 2 . 2 39 39 ARG CB C 13 30.39 0 . 1 . . . . B 62 ARG CB . 27875 1 1303 . 2 . 2 39 39 ARG CG C 13 27.441 0 . 1 . . . . B 62 ARG CG . 27875 1 1304 . 2 . 2 39 39 ARG CD C 13 43.059 0 . 1 . . . . B 62 ARG CD . 27875 1 1305 . 2 . 2 39 39 ARG N N 15 122.647 0 . 1 . . . . B 62 ARG N . 27875 1 1306 . 2 . 2 40 40 MET H H 1 8.479 0 . 1 . . . . B 63 MET HN . 27875 1 1307 . 2 . 2 40 40 MET HA H 1 4.756 0 . 1 . . . . B 63 MET HA . 27875 1 1308 . 2 . 2 40 40 MET HB2 H 1 2.163 0 . 2 . . . . B 63 MET HB2 . 27875 1 1309 . 2 . 2 40 40 MET HB3 H 1 2.033 0 . 2 . . . . B 63 MET HB3 . 27875 1 1310 . 2 . 2 40 40 MET HG2 H 1 2.678 0 . 2 . . . . B 63 MET HG2 . 27875 1 1311 . 2 . 2 40 40 MET HG3 H 1 2.545 0 . 2 . . . . B 63 MET HG3 . 27875 1 1312 . 2 . 2 40 40 MET HE1 H 1 2.146 0 . 1 . . . . B 63 MET QE . 27875 1 1313 . 2 . 2 40 40 MET HE2 H 1 2.146 0 . 1 . . . . B 63 MET QE . 27875 1 1314 . 2 . 2 40 40 MET HE3 H 1 2.146 0 . 1 . . . . B 63 MET QE . 27875 1 1315 . 2 . 2 40 40 MET C C 13 175.175 0 . 1 . . . . B 63 MET C . 27875 1 1316 . 2 . 2 40 40 MET CA C 13 53.678 0 . 1 . . . . B 63 MET CA . 27875 1 1317 . 2 . 2 40 40 MET CB C 13 36.84 0 . 1 . . . . B 63 MET CB . 27875 1 1318 . 2 . 2 40 40 MET CG C 13 31.49 0 . 1 . . . . B 63 MET CG . 27875 1 1319 . 2 . 2 40 40 MET CE C 13 17.683 0 . 1 . . . . B 63 MET CE . 27875 1 1320 . 2 . 2 40 40 MET N N 15 120.9 0 . 1 . . . . B 63 MET N . 27875 1 1321 . 2 . 2 41 41 ASP H H 1 8.479 0 . 1 . . . . B 64 ASP HN . 27875 1 1322 . 2 . 2 41 41 ASP HA H 1 4.641 0 . 1 . . . . B 64 ASP HA . 27875 1 1323 . 2 . 2 41 41 ASP HB2 H 1 3.129 0 . 2 . . . . B 64 ASP HB2 . 27875 1 1324 . 2 . 2 41 41 ASP HB3 H 1 2.694 0 . 2 . . . . B 64 ASP HB3 . 27875 1 1325 . 2 . 2 41 41 ASP C C 13 175.676 0 . 1 . . . . B 64 ASP C . 27875 1 1326 . 2 . 2 41 41 ASP CA C 13 53.742 0 . 1 . . . . B 64 ASP CA . 27875 1 1327 . 2 . 2 41 41 ASP CB C 13 41.712 0 . 1 . . . . B 64 ASP CB . 27875 1 1328 . 2 . 2 41 41 ASP N N 15 120.563 0 . 1 . . . . B 64 ASP N . 27875 1 1329 . 2 . 2 42 42 ASN H H 1 8.684 0 . 1 . . . . B 65 ASN HN . 27875 1 1330 . 2 . 2 42 42 ASN HA H 1 4.306 0 . 1 . . . . B 65 ASN HA . 27875 1 1331 . 2 . 2 42 42 ASN HB2 H 1 3.23 0 . 2 . . . . B 65 ASN HB2 . 27875 1 1332 . 2 . 2 42 42 ASN HB3 H 1 2.583 0 . 2 . . . . B 65 ASN HB3 . 27875 1 1333 . 2 . 2 42 42 ASN HD21 H 1 7.28 0 . 2 . . . . B 65 ASN HD21 . 27875 1 1334 . 2 . 2 42 42 ASN HD22 H 1 6.991 0 . 2 . . . . B 65 ASN HD22 . 27875 1 1335 . 2 . 2 42 42 ASN C C 13 176.972 0 . 1 . . . . B 65 ASN C . 27875 1 1336 . 2 . 2 42 42 ASN CA C 13 56.776 0 . 1 . . . . B 65 ASN CA . 27875 1 1337 . 2 . 2 42 42 ASN CB C 13 37.853 0 . 1 . . . . B 65 ASN CB . 27875 1 1338 . 2 . 2 42 42 ASN N N 15 118.481 0 . 1 . . . . B 65 ASN N . 27875 1 1339 . 2 . 2 42 42 ASN ND2 N 15 109.551 0 . 1 . . . . B 65 ASN ND2 . 27875 1 1340 . 2 . 2 43 43 ASN H H 1 8.211 0 . 1 . . . . B 66 ASN HN . 27875 1 1341 . 2 . 2 43 43 ASN HA H 1 4.511 0 . 1 . . . . B 66 ASN HA . 27875 1 1342 . 2 . 2 43 43 ASN HB2 H 1 2.918 0 . 2 . . . . B 66 ASN HB2 . 27875 1 1343 . 2 . 2 43 43 ASN HB3 H 1 2.467 0 . 2 . . . . B 66 ASN HB3 . 27875 1 1344 . 2 . 2 43 43 ASN HD21 H 1 7.723 0 . 2 . . . . B 66 ASN HD21 . 27875 1 1345 . 2 . 2 43 43 ASN HD22 H 1 6.951 0 . 2 . . . . B 66 ASN HD22 . 27875 1 1346 . 2 . 2 43 43 ASN C C 13 176.828 0 . 1 . . . . B 66 ASN C . 27875 1 1347 . 2 . 2 43 43 ASN CA C 13 56.609 0 . 1 . . . . B 66 ASN CA . 27875 1 1348 . 2 . 2 43 43 ASN CB C 13 37.708 0 . 1 . . . . B 66 ASN CB . 27875 1 1349 . 2 . 2 43 43 ASN N N 15 116.482 0 . 1 . . . . B 66 ASN N . 27875 1 1350 . 2 . 2 43 43 ASN ND2 N 15 113.311 0 . 1 . . . . B 66 ASN ND2 . 27875 1 1351 . 2 . 2 44 44 ALA H H 1 8.068 0 . 1 . . . . B 67 ALA HN . 27875 1 1352 . 2 . 2 44 44 ALA HA H 1 4.092 0 . 1 . . . . B 67 ALA HA . 27875 1 1353 . 2 . 2 44 44 ALA HB1 H 1 1.527 0 . 1 . . . . B 67 ALA QB . 27875 1 1354 . 2 . 2 44 44 ALA HB2 H 1 1.527 0 . 1 . . . . B 67 ALA QB . 27875 1 1355 . 2 . 2 44 44 ALA HB3 H 1 1.527 0 . 1 . . . . B 67 ALA QB . 27875 1 1356 . 2 . 2 44 44 ALA C C 13 181.212 0 . 1 . . . . B 67 ALA C . 27875 1 1357 . 2 . 2 44 44 ALA CA C 13 54.718 0 . 1 . . . . B 67 ALA CA . 27875 1 1358 . 2 . 2 44 44 ALA CB C 13 18.186 0 . 1 . . . . B 67 ALA CB . 27875 1 1359 . 2 . 2 44 44 ALA N N 15 122.059 0 . 1 . . . . B 67 ALA N . 27875 1 1360 . 2 . 2 45 45 ALA H H 1 8.796 0 . 1 . . . . B 68 ALA HN . 27875 1 1361 . 2 . 2 45 45 ALA HA H 1 4.306 0 . 1 . . . . B 68 ALA HA . 27875 1 1362 . 2 . 2 45 45 ALA HB1 H 1 1.448 0 . 1 . . . . B 68 ALA QB . 27875 1 1363 . 2 . 2 45 45 ALA HB2 H 1 1.448 0 . 1 . . . . B 68 ALA QB . 27875 1 1364 . 2 . 2 45 45 ALA HB3 H 1 1.448 0 . 1 . . . . B 68 ALA QB . 27875 1 1365 . 2 . 2 45 45 ALA C C 13 178.567 0 . 1 . . . . B 68 ALA C . 27875 1 1366 . 2 . 2 45 45 ALA CA C 13 54.852 0 . 1 . . . . B 68 ALA CA . 27875 1 1367 . 2 . 2 45 45 ALA CB C 13 18.186 0 . 1 . . . . B 68 ALA CB . 27875 1 1368 . 2 . 2 45 45 ALA N N 15 121.85 0 . 1 . . . . B 68 ALA N . 27875 1 1369 . 2 . 2 46 46 ALA H H 1 8.139 0 . 1 . . . . B 69 ALA HN . 27875 1 1370 . 2 . 2 46 46 ALA HA H 1 3.998 0 . 1 . . . . B 69 ALA HA . 27875 1 1371 . 2 . 2 46 46 ALA HB1 H 1 1.498 0 . 1 . . . . B 69 ALA QB . 27875 1 1372 . 2 . 2 46 46 ALA HB2 H 1 1.498 0 . 1 . . . . B 69 ALA QB . 27875 1 1373 . 2 . 2 46 46 ALA HB3 H 1 1.498 0 . 1 . . . . B 69 ALA QB . 27875 1 1374 . 2 . 2 46 46 ALA C C 13 177.626 0 . 1 . . . . B 69 ALA C . 27875 1 1375 . 2 . 2 46 46 ALA CA C 13 55.889 0 . 1 . . . . B 69 ALA CA . 27875 1 1376 . 2 . 2 46 46 ALA CB C 13 18.658 0 . 1 . . . . B 69 ALA CB . 27875 1 1377 . 2 . 2 46 46 ALA N N 15 122.398 0 . 1 . . . . B 69 ALA N . 27875 1 1378 . 2 . 2 47 47 ILE H H 1 7.089 0 . 1 . . . . B 70 ILE HN . 27875 1 1379 . 2 . 2 47 47 ILE HA H 1 3.622 0 . 1 . . . . B 70 ILE HA . 27875 1 1380 . 2 . 2 47 47 ILE HB H 1 1.958 0 . 1 . . . . B 70 ILE HB . 27875 1 1381 . 2 . 2 47 47 ILE HG12 H 1 1.643 0 . 2 . . . . B 70 ILE HG12 . 27875 1 1382 . 2 . 2 47 47 ILE HG13 H 1 1.232 0 . 2 . . . . B 70 ILE HG13 . 27875 1 1383 . 2 . 2 47 47 ILE HG21 H 1 0.927 0 . 1 . . . . B 70 ILE QG2 . 27875 1 1384 . 2 . 2 47 47 ILE HG22 H 1 0.927 0 . 1 . . . . B 70 ILE QG2 . 27875 1 1385 . 2 . 2 47 47 ILE HG23 H 1 0.927 0 . 1 . . . . B 70 ILE QG2 . 27875 1 1386 . 2 . 2 47 47 ILE HD11 H 1 0.742 0 . 1 . . . . B 70 ILE QD1 . 27875 1 1387 . 2 . 2 47 47 ILE HD12 H 1 0.742 0 . 1 . . . . B 70 ILE QD1 . 27875 1 1388 . 2 . 2 47 47 ILE HD13 H 1 0.742 0 . 1 . . . . B 70 ILE QD1 . 27875 1 1389 . 2 . 2 47 47 ILE C C 13 179.144 0 . 1 . . . . B 70 ILE C . 27875 1 1390 . 2 . 2 47 47 ILE CA C 13 63.709 0 . 1 . . . . B 70 ILE CA . 27875 1 1391 . 2 . 2 47 47 ILE CB C 13 37.488 0 . 1 . . . . B 70 ILE CB . 27875 1 1392 . 2 . 2 47 47 ILE CG1 C 13 28.453 0 . 1 . . . . B 70 ILE CG1 . 27875 1 1393 . 2 . 2 47 47 ILE CG2 C 13 17.607 0 . 1 . . . . B 70 ILE CG2 . 27875 1 1394 . 2 . 2 47 47 ILE CD1 C 13 12.112 0 . 1 . . . . B 70 ILE CD1 . 27875 1 1395 . 2 . 2 47 47 ILE N N 15 114.52 0 . 1 . . . . B 70 ILE N . 27875 1 1396 . 2 . 2 48 48 LYS H H 1 8.337 0 . 1 . . . . B 71 LYS HN . 27875 1 1397 . 2 . 2 48 48 LYS HA H 1 4.139 0 . 1 . . . . B 71 LYS HA . 27875 1 1398 . 2 . 2 48 48 LYS HB2 H 1 2.167 0 . 2 . . . . B 71 LYS HB2 . 27875 1 1399 . 2 . 2 48 48 LYS HB3 H 1 1.827 0 . 2 . . . . B 71 LYS HB3 . 27875 1 1400 . 2 . 2 48 48 LYS HG2 H 1 1.441 0 . 2 . . . . B 71 LYS QG . 27875 1 1401 . 2 . 2 48 48 LYS HG3 H 1 1.441 0 . 2 . . . . B 71 LYS QG . 27875 1 1402 . 2 . 2 48 48 LYS HD2 H 1 1.761 0 . 2 . . . . B 71 LYS HD2 . 27875 1 1403 . 2 . 2 48 48 LYS HD3 H 1 1.685 0 . 2 . . . . B 71 LYS HD3 . 27875 1 1404 . 2 . 2 48 48 LYS HE2 H 1 2.917 0 . 2 . . . . B 71 LYS HE2 . 27875 1 1405 . 2 . 2 48 48 LYS HE3 H 1 2.661 0 . 2 . . . . B 71 LYS HE3 . 27875 1 1406 . 2 . 2 48 48 LYS C C 13 177.549 0 . 1 . . . . B 71 LYS C . 27875 1 1407 . 2 . 2 48 48 LYS CA C 13 56.977 0 . 1 . . . . B 71 LYS CA . 27875 1 1408 . 2 . 2 48 48 LYS CB C 13 31.094 0 . 1 . . . . B 71 LYS CB . 27875 1 1409 . 2 . 2 48 48 LYS CG C 13 24.404 0 . 1 . . . . B 71 LYS CG . 27875 1 1410 . 2 . 2 48 48 LYS CD C 13 28.019 0 . 1 . . . . B 71 LYS CD . 27875 1 1411 . 2 . 2 48 48 LYS CE C 13 41.612 0 . 1 . . . . B 71 LYS CE . 27875 1 1412 . 2 . 2 48 48 LYS N N 15 121.307 0 . 1 . . . . B 71 LYS N . 27875 1 1413 . 2 . 2 49 49 ALA H H 1 8.816 0 . 1 . . . . B 72 ALA HN . 27875 1 1414 . 2 . 2 49 49 ALA HA H 1 3.758 0 . 1 . . . . B 72 ALA HA . 27875 1 1415 . 2 . 2 49 49 ALA HB1 H 1 1.74 0 . 1 . . . . B 72 ALA QB . 27875 1 1416 . 2 . 2 49 49 ALA HB2 H 1 1.74 0 . 1 . . . . B 72 ALA QB . 27875 1 1417 . 2 . 2 49 49 ALA HB3 H 1 1.74 0 . 1 . . . . B 72 ALA QB . 27875 1 1418 . 2 . 2 49 49 ALA C C 13 178.65 0 . 1 . . . . B 72 ALA C . 27875 1 1419 . 2 . 2 49 49 ALA CA C 13 55.826 0 . 1 . . . . B 72 ALA CA . 27875 1 1420 . 2 . 2 49 49 ALA CB C 13 17.607 0 . 1 . . . . B 72 ALA CB . 27875 1 1421 . 2 . 2 49 49 ALA N N 15 122.699 0 . 1 . . . . B 72 ALA N . 27875 1 1422 . 2 . 2 50 50 LEU H H 1 7.204 0 . 1 . . . . B 73 LEU HN . 27875 1 1423 . 2 . 2 50 50 LEU HA H 1 4.089 0 . 1 . . . . B 73 LEU HA . 27875 1 1424 . 2 . 2 50 50 LEU HB2 H 1 1.94 0 . 2 . . . . B 73 LEU HB2 . 27875 1 1425 . 2 . 2 50 50 LEU HB3 H 1 1.781 0 . 2 . . . . B 73 LEU HB3 . 27875 1 1426 . 2 . 2 50 50 LEU HG H 1 1.86 0 . 1 . . . . B 73 LEU HG . 27875 1 1427 . 2 . 2 50 50 LEU HD11 H 1 1.001 0 . 2 . . . . B 73 LEU QD1 . 27875 1 1428 . 2 . 2 50 50 LEU HD12 H 1 1.001 0 . 2 . . . . B 73 LEU QD1 . 27875 1 1429 . 2 . 2 50 50 LEU HD13 H 1 1.001 0 . 2 . . . . B 73 LEU QD1 . 27875 1 1430 . 2 . 2 50 50 LEU HD21 H 1 0.9 0 . 2 . . . . B 73 LEU QD2 . 27875 1 1431 . 2 . 2 50 50 LEU HD22 H 1 0.9 0 . 2 . . . . B 73 LEU QD2 . 27875 1 1432 . 2 . 2 50 50 LEU HD23 H 1 0.9 0 . 2 . . . . B 73 LEU QD2 . 27875 1 1433 . 2 . 2 50 50 LEU C C 13 178.207 0 . 1 . . . . B 73 LEU C . 27875 1 1434 . 2 . 2 50 50 LEU CA C 13 57.813 0 . 1 . . . . B 73 LEU CA . 27875 1 1435 . 2 . 2 50 50 LEU CB C 13 41.619 0 . 1 . . . . B 73 LEU CB . 27875 1 1436 . 2 . 2 50 50 LEU CG C 13 27.007 0 . 1 . . . . B 73 LEU CG . 27875 1 1437 . 2 . 2 50 50 LEU CD1 C 13 24.838 0 . 2 . . . . B 73 LEU CD1 . 27875 1 1438 . 2 . 2 50 50 LEU CD2 C 13 25.127 0 . 2 . . . . B 73 LEU CD2 . 27875 1 1439 . 2 . 2 50 50 LEU N N 15 115.59 0 . 1 . . . . B 73 LEU N . 27875 1 1440 . 2 . 2 51 51 GLU H H 1 7.435 0 . 1 . . . . B 74 GLU HN . 27875 1 1441 . 2 . 2 51 51 GLU HA H 1 3.876 0 . 1 . . . . B 74 GLU HA . 27875 1 1442 . 2 . 2 51 51 GLU HB2 H 1 2.16 0 . 2 . . . . B 74 GLU QB . 27875 1 1443 . 2 . 2 51 51 GLU HB3 H 1 2.16 0 . 2 . . . . B 74 GLU QB . 27875 1 1444 . 2 . 2 51 51 GLU HG2 H 1 2.363 0 . 2 . . . . B 74 GLU HG2 . 27875 1 1445 . 2 . 2 51 51 GLU HG3 H 1 2.094 0 . 2 . . . . B 74 GLU HG3 . 27875 1 1446 . 2 . 2 51 51 GLU C C 13 178.742 0 . 1 . . . . B 74 GLU C . 27875 1 1447 . 2 . 2 51 51 GLU CA C 13 59.486 0 . 1 . . . . B 74 GLU CA . 27875 1 1448 . 2 . 2 51 51 GLU CB C 13 29.275 0 . 1 . . . . B 74 GLU CB . 27875 1 1449 . 2 . 2 51 51 GLU CG C 13 35.973 0 . 1 . . . . B 74 GLU CG . 27875 1 1450 . 2 . 2 51 51 GLU N N 15 119.551 0 . 1 . . . . B 74 GLU N . 27875 1 1451 . 2 . 2 52 52 LEU H H 1 8.507 0 . 1 . . . . B 75 LEU HN . 27875 1 1452 . 2 . 2 52 52 LEU HA H 1 3.561 0 . 1 . . . . B 75 LEU HA . 27875 1 1453 . 2 . 2 52 52 LEU HB2 H 1 1.135 0 . 2 . . . . B 75 LEU HB2 . 27875 1 1454 . 2 . 2 52 52 LEU HB3 H 1 0.449 0 . 2 . . . . B 75 LEU HB3 . 27875 1 1455 . 2 . 2 52 52 LEU HG H 1 1.743 0 . 1 . . . . B 75 LEU HG . 27875 1 1456 . 2 . 2 52 52 LEU HD11 H 1 0.802 0 . 2 . . . . B 75 LEU QD1 . 27875 1 1457 . 2 . 2 52 52 LEU HD12 H 1 0.802 0 . 2 . . . . B 75 LEU QD1 . 27875 1 1458 . 2 . 2 52 52 LEU HD13 H 1 0.802 0 . 2 . . . . B 75 LEU QD1 . 27875 1 1459 . 2 . 2 52 52 LEU HD21 H 1 0.057 0 . 2 . . . . B 75 LEU QD2 . 27875 1 1460 . 2 . 2 52 52 LEU HD22 H 1 0.057 0 . 2 . . . . B 75 LEU QD2 . 27875 1 1461 . 2 . 2 52 52 LEU HD23 H 1 0.057 0 . 2 . . . . B 75 LEU QD2 . 27875 1 1462 . 2 . 2 52 52 LEU C C 13 178.454 0 . 1 . . . . B 75 LEU C . 27875 1 1463 . 2 . 2 52 52 LEU CA C 13 56.846 0 . 1 . . . . B 75 LEU CA . 27875 1 1464 . 2 . 2 52 52 LEU CB C 13 39.013 0 . 1 . . . . B 75 LEU CB . 27875 1 1465 . 2 . 2 52 52 LEU CG C 13 25.85 0 . 1 . . . . B 75 LEU CG . 27875 1 1466 . 2 . 2 52 52 LEU CD1 C 13 27.441 0 . 2 . . . . B 75 LEU CD1 . 27875 1 1467 . 2 . 2 52 52 LEU CD2 C 13 20.644 0 . 2 . . . . B 75 LEU CD2 . 27875 1 1468 . 2 . 2 52 52 LEU N N 15 117.576 0 . 1 . . . . B 75 LEU N . 27875 1 1469 . 2 . 2 53 53 TYR H H 1 7.637 0 . 1 . . . . B 76 TYR HN . 27875 1 1470 . 2 . 2 53 53 TYR HA H 1 4.121 0 . 1 . . . . B 76 TYR HA . 27875 1 1471 . 2 . 2 53 53 TYR HB2 H 1 3.329 0 . 2 . . . . B 76 TYR HB2 . 27875 1 1472 . 2 . 2 53 53 TYR HB3 H 1 3.048 0 . 2 . . . . B 76 TYR HB3 . 27875 1 1473 . 2 . 2 53 53 TYR HD1 H 1 7.122 0 . 3 . . . . B 76 TYR QD . 27875 1 1474 . 2 . 2 53 53 TYR HD2 H 1 7.122 0 . 3 . . . . B 76 TYR QD . 27875 1 1475 . 2 . 2 53 53 TYR HE1 H 1 6.896 0 . 3 . . . . B 76 TYR QE . 27875 1 1476 . 2 . 2 53 53 TYR HE2 H 1 6.896 0 . 3 . . . . B 76 TYR QE . 27875 1 1477 . 2 . 2 53 53 TYR C C 13 178.567 0 . 1 . . . . B 76 TYR C . 27875 1 1478 . 2 . 2 53 53 TYR CA C 13 61.03 0 . 1 . . . . B 76 TYR CA . 27875 1 1479 . 2 . 2 53 53 TYR CB C 13 38.196 0 . 1 . . . . B 76 TYR CB . 27875 1 1480 . 2 . 2 53 53 TYR N N 15 119.102 0 . 1 . . . . B 76 TYR N . 27875 1 1481 . 2 . 2 54 54 LYS H H 1 7.96 0 . 1 . . . . B 77 LYS HN . 27875 1 1482 . 2 . 2 54 54 LYS HA H 1 3.7 0 . 1 . . . . B 77 LYS HA . 27875 1 1483 . 2 . 2 54 54 LYS HB2 H 1 1.988 0 . 2 . . . . B 77 LYS QB . 27875 1 1484 . 2 . 2 54 54 LYS HB3 H 1 1.988 0 . 2 . . . . B 77 LYS QB . 27875 1 1485 . 2 . 2 54 54 LYS HG2 H 1 1.743 0 . 2 . . . . B 77 LYS HG2 . 27875 1 1486 . 2 . 2 54 54 LYS HG3 H 1 1.479 0 . 2 . . . . B 77 LYS HG3 . 27875 1 1487 . 2 . 2 54 54 LYS HD2 H 1 1.729 0 . 2 . . . . B 77 LYS HD2 . 27875 1 1488 . 2 . 2 54 54 LYS HD3 H 1 1.68 0 . 2 . . . . B 77 LYS HD3 . 27875 1 1489 . 2 . 2 54 54 LYS HE2 H 1 2.944 0 . 2 . . . . B 77 LYS HE2 . 27875 1 1490 . 2 . 2 54 54 LYS HE3 H 1 2.915 0 . 2 . . . . B 77 LYS HE3 . 27875 1 1491 . 2 . 2 54 54 LYS C C 13 178.269 0 . 1 . . . . B 77 LYS C . 27875 1 1492 . 2 . 2 54 54 LYS CA C 13 59.392 0 . 1 . . . . B 77 LYS CA . 27875 1 1493 . 2 . 2 54 54 LYS CB C 13 32.502 0 . 1 . . . . B 77 LYS CB . 27875 1 1494 . 2 . 2 54 54 LYS CG C 13 25.271 0 . 1 . . . . B 77 LYS CG . 27875 1 1495 . 2 . 2 54 54 LYS CD C 13 29.465 0 . 1 . . . . B 77 LYS CD . 27875 1 1496 . 2 . 2 54 54 LYS CE C 13 41.757 0 . 1 . . . . B 77 LYS CE . 27875 1 1497 . 2 . 2 54 54 LYS N N 15 120.373 0 . 1 . . . . B 77 LYS N . 27875 1 1498 . 2 . 2 55 55 ILE H H 1 7.378 0 . 1 . . . . B 78 ILE HN . 27875 1 1499 . 2 . 2 55 55 ILE HA H 1 4.407 0 . 1 . . . . B 78 ILE HA . 27875 1 1500 . 2 . 2 55 55 ILE HB H 1 2.164 0 . 1 . . . . B 78 ILE HB . 27875 1 1501 . 2 . 2 55 55 ILE HG12 H 1 1.472 0 . 2 . . . . B 78 ILE HG12 . 27875 1 1502 . 2 . 2 55 55 ILE HG13 H 1 1.095 0 . 2 . . . . B 78 ILE HG13 . 27875 1 1503 . 2 . 2 55 55 ILE HG21 H 1 0.867 0 . 1 . . . . B 78 ILE QG2 . 27875 1 1504 . 2 . 2 55 55 ILE HG22 H 1 0.867 0 . 1 . . . . B 78 ILE QG2 . 27875 1 1505 . 2 . 2 55 55 ILE HG23 H 1 0.867 0 . 1 . . . . B 78 ILE QG2 . 27875 1 1506 . 2 . 2 55 55 ILE HD11 H 1 0.725 0 . 1 . . . . B 78 ILE QD1 . 27875 1 1507 . 2 . 2 55 55 ILE HD12 H 1 0.725 0 . 1 . . . . B 78 ILE QD1 . 27875 1 1508 . 2 . 2 55 55 ILE HD13 H 1 0.725 0 . 1 . . . . B 78 ILE QD1 . 27875 1 1509 . 2 . 2 55 55 ILE C C 13 175.83 0 . 1 . . . . B 78 ILE C . 27875 1 1510 . 2 . 2 55 55 ILE CA C 13 60.528 0 . 1 . . . . B 78 ILE CA . 27875 1 1511 . 2 . 2 55 55 ILE CB C 13 38.142 0 . 1 . . . . B 78 ILE CB . 27875 1 1512 . 2 . 2 55 55 ILE CG1 C 13 25.85 0 . 1 . . . . B 78 ILE CG1 . 27875 1 1513 . 2 . 2 55 55 ILE CG2 C 13 16.815 0 . 1 . . . . B 78 ILE CG2 . 27875 1 1514 . 2 . 2 55 55 ILE CD1 C 13 13.558 0 . 1 . . . . B 78 ILE CD1 . 27875 1 1515 . 2 . 2 55 55 ILE N N 15 108.891 0 . 1 . . . . B 78 ILE N . 27875 1 1516 . 2 . 2 56 56 ASN H H 1 7.804 0 . 1 . . . . B 79 ASN HN . 27875 1 1517 . 2 . 2 56 56 ASN HA H 1 4.327 0 . 1 . . . . B 79 ASN HA . 27875 1 1518 . 2 . 2 56 56 ASN HB2 H 1 3.073 0 . 2 . . . . B 79 ASN HB2 . 27875 1 1519 . 2 . 2 56 56 ASN HB3 H 1 2.642 0 . 2 . . . . B 79 ASN HB3 . 27875 1 1520 . 2 . 2 56 56 ASN HD21 H 1 7.461 0 . 2 . . . . B 79 ASN HD21 . 27875 1 1521 . 2 . 2 56 56 ASN HD22 H 1 6.71 0 . 2 . . . . B 79 ASN HD22 . 27875 1 1522 . 2 . 2 56 56 ASN C C 13 174.585 0 . 1 . . . . B 79 ASN C . 27875 1 1523 . 2 . 2 56 56 ASN CA C 13 53.993 0 . 1 . . . . B 79 ASN CA . 27875 1 1524 . 2 . 2 56 56 ASN CB C 13 36.985 0 . 1 . . . . B 79 ASN CB . 27875 1 1525 . 2 . 2 56 56 ASN N N 15 121.339 0 . 1 . . . . B 79 ASN N . 27875 1 1526 . 2 . 2 56 56 ASN ND2 N 15 112.323 0 . 1 . . . . B 79 ASN ND2 . 27875 1 1527 . 2 . 2 57 57 ALA H H 1 7.702 0 . 1 . . . . B 80 ALA HN . 27875 1 1528 . 2 . 2 57 57 ALA HA H 1 4.191 0 . 1 . . . . B 80 ALA HA . 27875 1 1529 . 2 . 2 57 57 ALA HB1 H 1 1.153 0 . 1 . . . . B 80 ALA QB . 27875 1 1530 . 2 . 2 57 57 ALA HB2 H 1 1.153 0 . 1 . . . . B 80 ALA QB . 27875 1 1531 . 2 . 2 57 57 ALA HB3 H 1 1.153 0 . 1 . . . . B 80 ALA QB . 27875 1 1532 . 2 . 2 57 57 ALA C C 13 177.929 0 . 1 . . . . B 80 ALA C . 27875 1 1533 . 2 . 2 57 57 ALA CA C 13 51.892 0 . 1 . . . . B 80 ALA CA . 27875 1 1534 . 2 . 2 57 57 ALA CB C 13 20.697 0 . 1 . . . . B 80 ALA CB . 27875 1 1535 . 2 . 2 57 57 ALA N N 15 119.331 0 . 1 . . . . B 80 ALA N . 27875 1 1536 . 2 . 2 58 58 LYS H H 1 8.641 0 . 1 . . . . B 81 LYS HN . 27875 1 1537 . 2 . 2 58 58 LYS HA H 1 4.082 0 . 1 . . . . B 81 LYS HA . 27875 1 1538 . 2 . 2 58 58 LYS HB2 H 1 1.899 0 . 2 . . . . B 81 LYS QB . 27875 1 1539 . 2 . 2 58 58 LYS HB3 H 1 1.899 0 . 2 . . . . B 81 LYS QB . 27875 1 1540 . 2 . 2 58 58 LYS HG2 H 1 1.39 0 . 2 . . . . B 81 LYS HG2 . 27875 1 1541 . 2 . 2 58 58 LYS HG3 H 1 1.273 0 . 2 . . . . B 81 LYS HG3 . 27875 1 1542 . 2 . 2 58 58 LYS HD2 H 1 1.724 0 . 2 . . . . B 81 LYS HD2 . 27875 1 1543 . 2 . 2 58 58 LYS HD3 H 1 1.64 0 . 2 . . . . B 81 LYS HD3 . 27875 1 1544 . 2 . 2 58 58 LYS HE2 H 1 3.027 0 . 2 . . . . B 81 LYS QE . 27875 1 1545 . 2 . 2 58 58 LYS HE3 H 1 3.027 0 . 2 . . . . B 81 LYS QE . 27875 1 1546 . 2 . 2 58 58 LYS C C 13 176.149 0 . 1 . . . . B 81 LYS C . 27875 1 1547 . 2 . 2 58 58 LYS CA C 13 58.315 0 . 1 . . . . B 81 LYS CA . 27875 1 1548 . 2 . 2 58 58 LYS CB C 13 32.711 0 . 1 . . . . B 81 LYS CB . 27875 1 1549 . 2 . 2 58 58 LYS CG C 13 24.62 0 . 1 . . . . B 81 LYS CG . 27875 1 1550 . 2 . 2 58 58 LYS CD C 13 28.667 0 . 1 . . . . B 81 LYS CD . 27875 1 1551 . 2 . 2 58 58 LYS CE C 13 41.902 0 . 1 . . . . B 81 LYS CE . 27875 1 1552 . 2 . 2 58 58 LYS N N 15 122.384 0 . 1 . . . . B 81 LYS N . 27875 1 1553 . 2 . 2 59 59 LEU H H 1 8.513 0 . 1 . . . . B 82 LEU HN . 27875 1 1554 . 2 . 2 59 59 LEU HA H 1 5.054 0 . 1 . . . . B 82 LEU HA . 27875 1 1555 . 2 . 2 59 59 LEU HB2 H 1 1.443 0 . 2 . . . . B 82 LEU HB2 . 27875 1 1556 . 2 . 2 59 59 LEU HB3 H 1 1.328 0 . 2 . . . . B 82 LEU HB3 . 27875 1 1557 . 2 . 2 59 59 LEU HG H 1 1.32 0 . 1 . . . . B 82 LEU HG . 27875 1 1558 . 2 . 2 59 59 LEU HD11 H 1 0.468 0 . 2 . . . . B 82 LEU QD1 . 27875 1 1559 . 2 . 2 59 59 LEU HD12 H 1 0.468 0 . 2 . . . . B 82 LEU QD1 . 27875 1 1560 . 2 . 2 59 59 LEU HD13 H 1 0.468 0 . 2 . . . . B 82 LEU QD1 . 27875 1 1561 . 2 . 2 59 59 LEU HD21 H 1 0.196 0 . 2 . . . . B 82 LEU QD2 . 27875 1 1562 . 2 . 2 59 59 LEU HD22 H 1 0.196 0 . 2 . . . . B 82 LEU QD2 . 27875 1 1563 . 2 . 2 59 59 LEU HD23 H 1 0.196 0 . 2 . . . . B 82 LEU QD2 . 27875 1 1564 . 2 . 2 59 59 LEU C C 13 177.769 0 . 1 . . . . B 82 LEU C . 27875 1 1565 . 2 . 2 59 59 LEU CA C 13 52.685 0 . 1 . . . . B 82 LEU CA . 27875 1 1566 . 2 . 2 59 59 LEU CB C 13 43.553 0 . 1 . . . . B 82 LEU CB . 27875 1 1567 . 2 . 2 59 59 LEU CG C 13 26.573 0 . 1 . . . . B 82 LEU CG . 27875 1 1568 . 2 . 2 59 59 LEU CD1 C 13 24.62 0 . 2 . . . . B 82 LEU CD1 . 27875 1 1569 . 2 . 2 59 59 LEU CD2 C 13 24.331 0 . 2 . . . . B 82 LEU CD2 . 27875 1 1570 . 2 . 2 59 59 LEU N N 15 129.821 0 . 1 . . . . B 82 LEU N . 27875 1 1571 . 2 . 2 60 60 CYS H H 1 8.546 0 . 1 . . . . B 83 CYS HN . 27875 1 1572 . 2 . 2 60 60 CYS HA H 1 4.033 0 . 1 . . . . B 83 CYS HA . 27875 1 1573 . 2 . 2 60 60 CYS HB2 H 1 3.053 0 . 2 . . . . B 83 CYS HB2 . 27875 1 1574 . 2 . 2 60 60 CYS HB3 H 1 2.777 0 . 2 . . . . B 83 CYS HB3 . 27875 1 1575 . 2 . 2 60 60 CYS C C 13 176.19 0 . 1 . . . . B 83 CYS C . 27875 1 1576 . 2 . 2 60 60 CYS CA C 13 61.57 0 . 1 . . . . B 83 CYS CA . 27875 1 1577 . 2 . 2 60 60 CYS CB C 13 30.767 0 . 1 . . . . B 83 CYS CB . 27875 1 1578 . 2 . 2 60 60 CYS N N 15 125.999 0 . 1 . . . . B 83 CYS N . 27875 1 1579 . 2 . 2 61 61 ASP H H 1 8.601 0 . 1 . . . . B 84 ASP HN . 27875 1 1580 . 2 . 2 61 61 ASP HA H 1 4.846 0 . 1 . . . . B 84 ASP HA . 27875 1 1581 . 2 . 2 61 61 ASP HB2 H 1 2.702 0 . 2 . . . . B 84 ASP HB2 . 27875 1 1582 . 2 . 2 61 61 ASP HB3 H 1 2.467 0 . 2 . . . . B 84 ASP HB3 . 27875 1 1583 . 2 . 2 61 61 ASP C C 13 173.884 0 . 1 . . . . B 84 ASP C . 27875 1 1584 . 2 . 2 61 61 ASP CA C 13 52.398 0 . 1 . . . . B 84 ASP CA . 27875 1 1585 . 2 . 2 61 61 ASP CB C 13 40.6 0 . 1 . . . . B 84 ASP CB . 27875 1 1586 . 2 . 2 61 61 ASP N N 15 123.472 0 . 1 . . . . B 84 ASP N . 27875 1 1587 . 2 . 2 62 62 PRO HA H 1 4.445 0 . 1 . . . . B 85 PRO HA . 27875 1 1588 . 2 . 2 62 62 PRO HB2 H 1 2.237 0 . 2 . . . . B 85 PRO HB2 . 27875 1 1589 . 2 . 2 62 62 PRO HB3 H 1 1.829 0 . 2 . . . . B 85 PRO HB3 . 27875 1 1590 . 2 . 2 62 62 PRO HG2 H 1 1.969 0 . 2 . . . . B 85 PRO QG . 27875 1 1591 . 2 . 2 62 62 PRO HG3 H 1 1.969 0 . 2 . . . . B 85 PRO QG . 27875 1 1592 . 2 . 2 62 62 PRO HD2 H 1 3.811 0 . 2 . . . . B 85 PRO HD2 . 27875 1 1593 . 2 . 2 62 62 PRO HD3 H 1 3.68 0 . 2 . . . . B 85 PRO HD3 . 27875 1 1594 . 2 . 2 62 62 PRO C C 13 176.508 0 . 1 . . . . B 85 PRO C . 27875 1 1595 . 2 . 2 62 62 PRO CA C 13 62.989 0 . 1 . . . . B 85 PRO CA . 27875 1 1596 . 2 . 2 62 62 PRO CB C 13 32.068 0 . 1 . . . . B 85 PRO CB . 27875 1 1597 . 2 . 2 62 62 PRO CG C 13 27.296 0 . 1 . . . . B 85 PRO CG . 27875 1 1598 . 2 . 2 62 62 PRO CD C 13 50.322 0 . 1 . . . . B 85 PRO CD . 27875 1 1599 . 2 . 2 63 63 HIS H H 1 8.458 0 . 1 . . . . B 86 HIS HN . 27875 1 1600 . 2 . 2 63 63 HIS HA H 1 4.837 0 . 1 . . . . B 86 HIS HA . 27875 1 1601 . 2 . 2 63 63 HIS HB2 H 1 3.164 0 . 2 . . . . B 86 HIS HB2 . 27875 1 1602 . 2 . 2 63 63 HIS HB3 H 1 3.095 0 . 2 . . . . B 86 HIS HB3 . 27875 1 1603 . 2 . 2 63 63 HIS HD2 H 1 7.172 0 . 1 . . . . B 86 HIS HD2 . 27875 1 1604 . 2 . 2 63 63 HIS C C 13 172.243 0 . 1 . . . . B 86 HIS C . 27875 1 1605 . 2 . 2 63 63 HIS CA C 13 53.835 0 . 1 . . . . B 86 HIS CA . 27875 1 1606 . 2 . 2 63 63 HIS CB C 13 29.245 0 . 1 . . . . B 86 HIS CB . 27875 1 1607 . 2 . 2 63 63 HIS N N 15 120.77 0 . 1 . . . . B 86 HIS N . 27875 1 1608 . 2 . 2 64 64 PRO HA H 1 4.271 0 . 1 . . . . B 87 PRO HA . 27875 1 1609 . 2 . 2 64 64 PRO HB2 H 1 2.22 0 . 2 . . . . B 87 PRO HB2 . 27875 1 1610 . 2 . 2 64 64 PRO HB3 H 1 1.899 0 . 2 . . . . B 87 PRO HB3 . 27875 1 1611 . 2 . 2 64 64 PRO HG2 H 1 1.912 0 . 2 . . . . B 87 PRO QG . 27875 1 1612 . 2 . 2 64 64 PRO HG3 H 1 1.912 0 . 2 . . . . B 87 PRO QG . 27875 1 1613 . 2 . 2 64 64 PRO HD2 H 1 3.682 0 . 2 . . . . B 87 PRO HD2 . 27875 1 1614 . 2 . 2 64 64 PRO HD3 H 1 3.296 0 . 2 . . . . B 87 PRO HD3 . 27875 1 1615 . 2 . 2 64 64 PRO CA C 13 64.814 0 . 1 . . . . B 87 PRO CA . 27875 1 1616 . 2 . 2 64 64 PRO CB C 13 32.213 0 . 1 . . . . B 87 PRO CB . 27875 1 1617 . 2 . 2 64 64 PRO CG C 13 27.151 0 . 1 . . . . B 87 PRO CG . 27875 1 1618 . 2 . 2 64 64 PRO CD C 13 50.258 0 . 1 . . . . B 87 PRO CD . 27875 1 stop_ save_