data_19136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19136 _Entry.Title ; ERG Ets Domain Backbone Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-02 _Entry.Accession_date 2013-04-02 _Entry.Last_release_date 2013-08-15 _Entry.Original_release_date 2013-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Michael Regan . C. . 19136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 19136 '15N chemical shifts' 84 19136 '1H chemical shifts' 164 19136 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-08-15 2013-04-02 original author . 19136 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19137 'ERGi Backbone Chemical Shifts' 19136 BMRB 19138 'ERG DNA Complex' 19136 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19136 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23898196 _Citation.Full_citation . _Citation.Title 'Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 33 _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 13374 _Citation.Page_last 13379 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Michael Regan . C. . 19136 1 2 Peter Horanyi . S. . 19136 1 3 Edward Pryor . E. Jr. 19136 1 4 Jessica Sarver . L. . 19136 1 5 David Cafiso . S. . 19136 1 6 John Bushweller . H. . 19136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19136 _Assembly.ID 1 _Assembly.Name ERGu _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 ERGu 1 $ERGu A . yes native no no . . . 19136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERGu _Entity.Sf_category entity _Entity.Sf_framecode ERGu _Entity.Entry_ID 19136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERGu _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 ; GAMGPGSGQIQLWQFLLELL SDSSNSSCITWEGTNGEFKM TDPDEVARRWGERKSKPNMN YDKLSRALRYYYDKNIMTKV HGKRYAYKFDFHGI ; _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 94 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19137 . ERGi . . . . . 95.74 122 100.00 100.00 1.06e-60 . . . . 19136 1 2 no BMRB 19138 . EDComplex . . . . . 95.74 122 100.00 100.00 1.06e-60 . . . . 19136 1 3 no PDB 1FLI . "Dna-Binding Domain Of Fli-1" . . . . . 95.74 98 97.78 100.00 7.34e-60 . . . . 19136 1 4 no PDB 4IRI . "Auto-inhibited Erg Ets Domain-dna Complex" . . . . . 95.74 129 100.00 100.00 9.19e-61 . . . . 19136 1 5 no DBJ BAB62744 . "vascular endothelial cell specific protein 14 [Rattus norvegicus]" . . . . . 95.74 455 98.89 100.00 1.25e-57 . . . . 19136 1 6 no DBJ BAB69948 . "Erg [Mus musculus]" . . . . . 95.74 462 98.89 100.00 1.53e-57 . . . . 19136 1 7 no DBJ BAB69949 . "Erg [Mus musculus]" . . . . . 95.74 463 98.89 100.00 1.56e-57 . . . . 19136 1 8 no DBJ BAB69950 . "Erg [Mus musculus]" . . . . . 95.74 486 98.89 100.00 2.14e-57 . . . . 19136 1 9 no DBJ BAC29518 . "unnamed protein product [Mus musculus]" . . . . . 95.74 451 97.78 100.00 6.19e-57 . . . . 19136 1 10 no EMBL CAA42055 . "retrovirus integration site [Mus musculus]" . . . . . 95.74 452 97.78 100.00 5.22e-57 . . . . 19136 1 11 no EMBL CAA47389 . "XLFli protein [Xenopus laevis]" . . . . . 95.74 453 97.78 100.00 1.92e-56 . . . . 19136 1 12 no EMBL CAA47399 . "homologue of the murine FLI-1 gene [Homo sapiens]" . . . . . 95.74 452 97.78 100.00 5.27e-57 . . . . 19136 1 13 no EMBL CAA54404 . "ERG [Gallus gallus]" . . . . . 96.81 478 97.80 98.90 1.47e-57 . . . . 19136 1 14 no EMBL CAA75077 . "FLI transcription factor [Coturnix coturnix]" . . . . . 95.74 432 98.89 100.00 6.54e-58 . . . . 19136 1 15 no GB AAA35811 . "erg1 protein [Homo sapiens]" . . . . . 95.74 363 100.00 100.00 1.19e-58 . . . . 19136 1 16 no GB AAA35812 . "ERGB transcription factor [Homo sapiens]" . . . . . 95.74 452 97.78 100.00 5.27e-57 . . . . 19136 1 17 no GB AAA52398 . "erg 2 protein [Homo sapiens]" . . . . . 95.74 462 100.00 100.00 4.58e-58 . . . . 19136 1 18 no GB AAB28525 . "immunoglobulin heavy-chain enhancer-binding Ets protein, partial [Mus sp.]" . . . . . 96.81 272 97.80 98.90 9.09e-60 . . . . 19136 1 19 no GB AAB31417 . "EWS-erg fusion protein type 1e, partial [Homo sapiens]" . . . . . 95.74 254 100.00 100.00 7.43e-61 . . . . 19136 1 20 no REF NP_001008616 . "transcriptional regulator ERG [Danio rerio]" . . . . . 95.74 427 98.89 98.89 8.42e-58 . . . . 19136 1 21 no REF NP_001017381 . "Friend leukemia integration 1 transcription factor [Rattus norvegicus]" . . . . . 95.74 452 97.78 100.00 5.80e-57 . . . . 19136 1 22 no REF NP_001026079 . "Friend leukemia integration 1 transcription factor [Gallus gallus]" . . . . . 95.74 432 98.89 100.00 7.04e-58 . . . . 19136 1 23 no REF NP_001039763 . "Friend leukemia integration 1 transcription factor [Bos taurus]" . . . . . 95.74 452 97.78 100.00 6.45e-57 . . . . 19136 1 24 no REF NP_001079309 . "v-ets avian erythroblastosis virus E26 oncogene homolog [Xenopus laevis]" . . . . . 95.74 485 98.89 100.00 3.04e-57 . . . . 19136 1 25 no SP P11308 . "RecName: Full=Transcriptional regulator ERG; AltName: Full=Transforming protein ERG" . . . . . 95.74 486 100.00 100.00 6.23e-58 . . . . 19136 1 26 no SP P26323 . "RecName: Full=Friend leukemia integration 1 transcription factor; AltName: Full=Retroviral integration site protein Fli-1" . . . . . 95.74 452 97.78 100.00 5.22e-57 . . . . 19136 1 27 no SP P41157 . "RecName: Full=Retroviral integration site protein Fli-1 homolog" . . . . . 95.74 453 97.78 100.00 1.92e-56 . . . . 19136 1 28 no SP P81270 . "RecName: Full=Transcriptional regulator ERG" . . . . . 95.74 486 98.89 100.00 2.14e-57 . . . . 19136 1 29 no SP Q01543 . "RecName: Full=Friend leukemia integration 1 transcription factor; AltName: Full=Proto-oncogene Fli-1; AltName: Full=Transcripti" . . . . . 95.74 452 97.78 100.00 5.27e-57 . . . . 19136 1 30 no TPG DAA13871 . "TPA: friend leukemia integration 1 transcription factor [Bos taurus]" . . . . . 95.74 446 97.78 100.00 4.91e-57 . . . . 19136 1 31 no TPG DAA32951 . "TPA: v-ets erythroblastosis virus E26 oncogene like [Bos taurus]" . . . . . 95.74 455 98.89 100.00 1.54e-57 . . . . 19136 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19136 1 2 2 ALA . 19136 1 3 3 MET . 19136 1 4 4 GLY . 19136 1 5 5 PRO . 19136 1 6 6 GLY . 19136 1 7 7 SER . 19136 1 8 8 GLY . 19136 1 9 9 GLN . 19136 1 10 10 ILE . 19136 1 11 11 GLN . 19136 1 12 12 LEU . 19136 1 13 13 TRP . 19136 1 14 14 GLN . 19136 1 15 15 PHE . 19136 1 16 16 LEU . 19136 1 17 17 LEU . 19136 1 18 18 GLU . 19136 1 19 19 LEU . 19136 1 20 20 LEU . 19136 1 21 21 SER . 19136 1 22 22 ASP . 19136 1 23 23 SER . 19136 1 24 24 SER . 19136 1 25 25 ASN . 19136 1 26 26 SER . 19136 1 27 27 SER . 19136 1 28 28 CYS . 19136 1 29 29 ILE . 19136 1 30 30 THR . 19136 1 31 31 TRP . 19136 1 32 32 GLU . 19136 1 33 33 GLY . 19136 1 34 34 THR . 19136 1 35 35 ASN . 19136 1 36 36 GLY . 19136 1 37 37 GLU . 19136 1 38 38 PHE . 19136 1 39 39 LYS . 19136 1 40 40 MET . 19136 1 41 41 THR . 19136 1 42 42 ASP . 19136 1 43 43 PRO . 19136 1 44 44 ASP . 19136 1 45 45 GLU . 19136 1 46 46 VAL . 19136 1 47 47 ALA . 19136 1 48 48 ARG . 19136 1 49 49 ARG . 19136 1 50 50 TRP . 19136 1 51 51 GLY . 19136 1 52 52 GLU . 19136 1 53 53 ARG . 19136 1 54 54 LYS . 19136 1 55 55 SER . 19136 1 56 56 LYS . 19136 1 57 57 PRO . 19136 1 58 58 ASN . 19136 1 59 59 MET . 19136 1 60 60 ASN . 19136 1 61 61 TYR . 19136 1 62 62 ASP . 19136 1 63 63 LYS . 19136 1 64 64 LEU . 19136 1 65 65 SER . 19136 1 66 66 ARG . 19136 1 67 67 ALA . 19136 1 68 68 LEU . 19136 1 69 69 ARG . 19136 1 70 70 TYR . 19136 1 71 71 TYR . 19136 1 72 72 TYR . 19136 1 73 73 ASP . 19136 1 74 74 LYS . 19136 1 75 75 ASN . 19136 1 76 76 ILE . 19136 1 77 77 MET . 19136 1 78 78 THR . 19136 1 79 79 LYS . 19136 1 80 80 VAL . 19136 1 81 81 HIS . 19136 1 82 82 GLY . 19136 1 83 83 LYS . 19136 1 84 84 ARG . 19136 1 85 85 TYR . 19136 1 86 86 ALA . 19136 1 87 87 TYR . 19136 1 88 88 LYS . 19136 1 89 89 PHE . 19136 1 90 90 ASP . 19136 1 91 91 PHE . 19136 1 92 92 HIS . 19136 1 93 93 GLY . 19136 1 94 94 ILE . 19136 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 . GLY 1 1 19136 1 . ALA 2 2 19136 1 . MET 3 3 19136 1 . GLY 4 4 19136 1 . PRO 5 5 19136 1 . GLY 6 6 19136 1 . SER 7 7 19136 1 . GLY 8 8 19136 1 . GLN 9 9 19136 1 . ILE 10 10 19136 1 . GLN 11 11 19136 1 . LEU 12 12 19136 1 . TRP 13 13 19136 1 . GLN 14 14 19136 1 . PHE 15 15 19136 1 . LEU 16 16 19136 1 . LEU 17 17 19136 1 . GLU 18 18 19136 1 . LEU 19 19 19136 1 . LEU 20 20 19136 1 . SER 21 21 19136 1 . ASP 22 22 19136 1 . SER 23 23 19136 1 . SER 24 24 19136 1 . ASN 25 25 19136 1 . SER 26 26 19136 1 . SER 27 27 19136 1 . CYS 28 28 19136 1 . ILE 29 29 19136 1 . THR 30 30 19136 1 . TRP 31 31 19136 1 . GLU 32 32 19136 1 . GLY 33 33 19136 1 . THR 34 34 19136 1 . ASN 35 35 19136 1 . GLY 36 36 19136 1 . GLU 37 37 19136 1 . PHE 38 38 19136 1 . LYS 39 39 19136 1 . MET 40 40 19136 1 . THR 41 41 19136 1 . ASP 42 42 19136 1 . PRO 43 43 19136 1 . ASP 44 44 19136 1 . GLU 45 45 19136 1 . VAL 46 46 19136 1 . ALA 47 47 19136 1 . ARG 48 48 19136 1 . ARG 49 49 19136 1 . TRP 50 50 19136 1 . GLY 51 51 19136 1 . GLU 52 52 19136 1 . ARG 53 53 19136 1 . LYS 54 54 19136 1 . SER 55 55 19136 1 . LYS 56 56 19136 1 . PRO 57 57 19136 1 . ASN 58 58 19136 1 . MET 59 59 19136 1 . ASN 60 60 19136 1 . TYR 61 61 19136 1 . ASP 62 62 19136 1 . LYS 63 63 19136 1 . LEU 64 64 19136 1 . SER 65 65 19136 1 . ARG 66 66 19136 1 . ALA 67 67 19136 1 . LEU 68 68 19136 1 . ARG 69 69 19136 1 . TYR 70 70 19136 1 . TYR 71 71 19136 1 . TYR 72 72 19136 1 . ASP 73 73 19136 1 . LYS 74 74 19136 1 . ASN 75 75 19136 1 . ILE 76 76 19136 1 . MET 77 77 19136 1 . THR 78 78 19136 1 . LYS 79 79 19136 1 . VAL 80 80 19136 1 . HIS 81 81 19136 1 . GLY 82 82 19136 1 . LYS 83 83 19136 1 . ARG 84 84 19136 1 . TYR 85 85 19136 1 . ALA 86 86 19136 1 . TYR 87 87 19136 1 . LYS 88 88 19136 1 . PHE 89 89 19136 1 . ASP 90 90 19136 1 . PHE 91 91 19136 1 . HIS 92 92 19136 1 . GLY 93 93 19136 1 . ILE 94 94 19136 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19136 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ERGu . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19136 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 19136 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ERGu . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHis-Parallel2 . . . . . . 19136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19136 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ERGu '[U-98% 13C; U-98% 15N]' . . 1 $ERGu . . 0.5 . . mM . . . . 19136 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19136 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19136 1 4 MgSO4 'natural abundance' . . . . . . 0.2 . . M . . . . 19136 1 5 KPI 'natural abundance' . . . . . . 0.02 . . M . . . . 19136 1 6 DTT 'natural abundance' . . . . . . 0.005 . . M . . . . 19136 1 7 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 19136 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19136 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 19136 1 pH 6.0 . pH 19136 1 pressure 1 . atm 19136 1 temperature 303 . K 19136 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19136 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19136 1 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 19136 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19136 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19136 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 19136 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 6 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 7 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19136 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19136 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19136 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm . na direct 1 . . . . . . . . . 19136 1 H 1 DSS 'methyl protons' . . . . ppm . na direct 1 . . . . . . . . . 19136 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm . na direct 1 . . . . . . . . . 19136 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 19136 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19136 1 2 '2D 1H-13C HSQC' . . . 19136 1 3 '3D CBCA(CO)NH' . . . 19136 1 4 '3D HNCO' . . . 19136 1 5 '3D HNCACB' . . . 19136 1 6 '3D HNHA' . . . 19136 1 7 '3D HCACO' . . . 19136 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.539 0.0014 . 1 . . . . 2 Ala H . 19136 1 2 . 1 1 2 2 ALA HA H 1 4.249 0.0005 . 1 . . . . 2 Ala HA . 19136 1 3 . 1 1 2 2 ALA C C 13 177.7 0.0000 . 1 . . . . 2 Ala C . 19136 1 4 . 1 1 2 2 ALA CA C 13 52.73 0.0176 . 1 . . . . 2 Ala CA . 19136 1 5 . 1 1 2 2 ALA CB C 13 19.35 0.0125 . 1 . . . . 2 Ala CB . 19136 1 6 . 1 1 2 2 ALA N N 15 123.7 0.0283 . 1 . . . . 2 Ala N . 19136 1 7 . 1 1 3 3 MET H H 1 8.369 0.0049 . 1 . . . . 3 Met H . 19136 1 8 . 1 1 3 3 MET HA H 1 4.453 0.0086 . 1 . . . . 3 Met HA . 19136 1 9 . 1 1 3 3 MET CA C 13 55.20 0.0182 . 1 . . . . 3 Met CA . 19136 1 10 . 1 1 3 3 MET CB C 13 33.08 0.0320 . 1 . . . . 3 Met CB . 19136 1 11 . 1 1 3 3 MET N N 15 119.1 0.0062 . 1 . . . . 3 Met N . 19136 1 12 . 1 1 5 5 PRO HA H 1 4.356 0.0032 . 1 . . . . 5 Pro HA . 19136 1 13 . 1 1 5 5 PRO C C 13 177.7 0.0000 . 1 . . . . 5 Pro C . 19136 1 14 . 1 1 5 5 PRO CA C 13 63.51 0.0328 . 1 . . . . 5 Pro CA . 19136 1 15 . 1 1 5 5 PRO CB C 13 32.03 0.0397 . 1 . . . . 5 Pro CB . 19136 1 16 . 1 1 6 6 GLY H H 1 8.526 0.0038 . 1 . . . . 6 Gly H . 19136 1 17 . 1 1 6 6 GLY C C 13 174.6 0.0000 . 1 . . . . 6 Gly C . 19136 1 18 . 1 1 6 6 GLY CA C 13 45.33 0.0064 . 1 . . . . 6 Gly CA . 19136 1 19 . 1 1 6 6 GLY N N 15 109.8 0.0119 . 1 . . . . 6 Gly N . 19136 1 20 . 1 1 7 7 SER H H 1 8.156 0.0136 . 1 . . . . 7 Ser H . 19136 1 21 . 1 1 7 7 SER HA H 1 4.316 0.0053 . 1 . . . . 7 Ser HA . 19136 1 22 . 1 1 7 7 SER C C 13 175.4 0.0000 . 1 . . . . 7 Ser C . 19136 1 23 . 1 1 7 7 SER CA C 13 58.94 0.0248 . 1 . . . . 7 Ser CA . 19136 1 24 . 1 1 7 7 SER CB C 13 63.86 0.0095 . 1 . . . . 7 Ser CB . 19136 1 25 . 1 1 7 7 SER N N 15 115.6 0.0138 . 1 . . . . 7 Ser N . 19136 1 26 . 1 1 8 8 GLY H H 1 8.512 0.0046 . 1 . . . . 8 Gly H . 19136 1 27 . 1 1 8 8 GLY C C 13 174.2 0.0000 . 1 . . . . 8 Gly C . 19136 1 28 . 1 1 8 8 GLY CA C 13 45.56 0.0049 . 1 . . . . 8 Gly CA . 19136 1 29 . 1 1 8 8 GLY N N 15 110.6 0.0253 . 1 . . . . 8 Gly N . 19136 1 30 . 1 1 9 9 GLN H H 1 7.998 0.0038 . 1 . . . . 9 Gln H . 19136 1 31 . 1 1 9 9 GLN HA H 1 4.288 0.0074 . 1 . . . . 9 Gln HA . 19136 1 32 . 1 1 9 9 GLN C C 13 175.9 0.0000 . 1 . . . . 9 Gln C . 19136 1 33 . 1 1 9 9 GLN CA C 13 55.44 0.0663 . 1 . . . . 9 Gln CA . 19136 1 34 . 1 1 9 9 GLN CB C 13 29.50 0.1291 . 1 . . . . 9 Gln CB . 19136 1 35 . 1 1 9 9 GLN N N 15 119.3 0.0148 . 1 . . . . 9 Gln N . 19136 1 36 . 1 1 10 10 ILE H H 1 7.862 0.0090 . 1 . . . . 10 Ile H . 19136 1 37 . 1 1 10 10 ILE HA H 1 4.113 0.0055 . 1 . . . . 10 Ile HA . 19136 1 38 . 1 1 10 10 ILE C C 13 174.2 0.0000 . 1 . . . . 10 Ile C . 19136 1 39 . 1 1 10 10 ILE CA C 13 61.31 0.0174 . 1 . . . . 10 Ile CA . 19136 1 40 . 1 1 10 10 ILE CB C 13 39.28 0.0325 . 1 . . . . 10 Ile CB . 19136 1 41 . 1 1 10 10 ILE N N 15 121.3 0.0248 . 1 . . . . 10 Ile N . 19136 1 42 . 1 1 11 11 GLN H H 1 8.118 0.0040 . 1 . . . . 11 Gln H . 19136 1 43 . 1 1 11 11 GLN HA H 1 4.662 0.0169 . 1 . . . . 11 Gln HA . 19136 1 44 . 1 1 11 11 GLN C C 13 177.8 0.0000 . 1 . . . . 11 Gln C . 19136 1 45 . 1 1 11 11 GLN CA C 13 53.95 0.0560 . 1 . . . . 11 Gln CA . 19136 1 46 . 1 1 11 11 GLN CB C 13 31.34 0.0018 . 1 . . . . 11 Gln CB . 19136 1 47 . 1 1 11 11 GLN N N 15 123. 0.0264 . 1 . . . . 11 Gln N . 19136 1 48 . 1 1 12 12 LEU H H 1 9.070 0.0091 . 1 . . . . 12 Leu H . 19136 1 49 . 1 1 12 12 LEU HA H 1 2.844 0.0087 . 1 . . . . 12 Leu HA . 19136 1 50 . 1 1 12 12 LEU C C 13 178.0 0.0000 . 1 . . . . 12 Leu C . 19136 1 51 . 1 1 12 12 LEU CA C 13 58.45 0.0312 . 1 . . . . 12 Leu CA . 19136 1 52 . 1 1 12 12 LEU CB C 13 39.70 0.0353 . 1 . . . . 12 Leu CB . 19136 1 53 . 1 1 12 12 LEU N N 15 125.1 0.0255 . 1 . . . . 12 Leu N . 19136 1 54 . 1 1 13 13 TRP H H 1 7.427 0.0076 . 1 . . . . 13 Trp H . 19136 1 55 . 1 1 13 13 TRP HA H 1 3.880 0.0076 . 1 . . . . 13 Trp HA . 19136 1 56 . 1 1 13 13 TRP C C 13 176.2 0.0000 . 1 . . . . 13 Trp C . 19136 1 57 . 1 1 13 13 TRP CA C 13 59.92 0.0813 . 1 . . . . 13 Trp CA . 19136 1 58 . 1 1 13 13 TRP CB C 13 27.25 0.0605 . 1 . . . . 13 Trp CB . 19136 1 59 . 1 1 13 13 TRP N N 15 113.9 0.0178 . 1 . . . . 13 Trp N . 19136 1 60 . 1 1 14 14 GLN H H 1 5.557 0.0089 . 1 . . . . 14 Gln H . 19136 1 61 . 1 1 14 14 GLN C C 13 178.4 0.0000 . 1 . . . . 14 Gln C . 19136 1 62 . 1 1 14 14 GLN CA C 13 57.92 0.0212 . 1 . . . . 14 Gln CA . 19136 1 63 . 1 1 14 14 GLN N N 15 119.5 0.0277 . 1 . . . . 14 Gln N . 19136 1 64 . 1 1 15 15 PHE H H 1 7.929 0.0066 . 1 . . . . 15 Phe H . 19136 1 65 . 1 1 15 15 PHE HA H 1 4.107 0.0047 . 1 . . . . 15 Phe HA . 19136 1 66 . 1 1 15 15 PHE C C 13 176.3 0.0000 . 1 . . . . 15 Phe C . 19136 1 67 . 1 1 15 15 PHE CA C 13 60.54 0.0203 . 1 . . . . 15 Phe CA . 19136 1 68 . 1 1 15 15 PHE CB C 13 39.79 0.0809 . 1 . . . . 15 Phe CB . 19136 1 69 . 1 1 15 15 PHE N N 15 122.2 0.0314 . 1 . . . . 15 Phe N . 19136 1 70 . 1 1 16 16 LEU H H 1 8.009 0.0042 . 1 . . . . 16 Leu H . 19136 1 71 . 1 1 16 16 LEU HA H 1 3.381 0.0045 . 1 . . . . 16 Leu HA . 19136 1 72 . 1 1 16 16 LEU C C 13 178.1 0.0000 . 1 . . . . 16 Leu C . 19136 1 73 . 1 1 16 16 LEU CA C 13 58.01 0.0136 . 1 . . . . 16 Leu CA . 19136 1 74 . 1 1 16 16 LEU CB C 13 39.89 0.0516 . 1 . . . . 16 Leu CB . 19136 1 75 . 1 1 16 16 LEU N N 15 117.4 0.0221 . 1 . . . . 16 Leu N . 19136 1 76 . 1 1 17 17 LEU H H 1 7.131 0.0325 . 1 . . . . 17 Leu H . 19136 1 77 . 1 1 17 17 LEU HA H 1 3.697 0.0077 . 1 . . . . 17 Leu HA . 19136 1 78 . 1 1 17 17 LEU C C 13 179.0 0.0000 . 1 . . . . 17 Leu C . 19136 1 79 . 1 1 17 17 LEU CA C 13 57.92 0.0412 . 1 . . . . 17 Leu CA . 19136 1 80 . 1 1 17 17 LEU CB C 13 41.56 0.0154 . 1 . . . . 17 Leu CB . 19136 1 81 . 1 1 17 17 LEU N N 15 116.9 0.0308 . 1 . . . . 17 Leu N . 19136 1 82 . 1 1 18 18 GLU H H 1 7.900 0.0067 . 1 . . . . 18 Glu H . 19136 1 83 . 1 1 18 18 GLU HA H 1 3.758 0.0048 . 1 . . . . 18 Glu HA . 19136 1 84 . 1 1 18 18 GLU C C 13 180.6 0.0000 . 1 . . . . 18 Glu C . 19136 1 85 . 1 1 18 18 GLU CA C 13 59.64 0.0094 . 1 . . . . 18 Glu CA . 19136 1 86 . 1 1 18 18 GLU CB C 13 29.04 0.0372 . 1 . . . . 18 Glu CB . 19136 1 87 . 1 1 18 18 GLU N N 15 121.8 0.0335 . 1 . . . . 18 Glu N . 19136 1 88 . 1 1 19 19 LEU H H 1 7.845 0.0042 . 1 . . . . 19 Leu H . 19136 1 89 . 1 1 19 19 LEU HA H 1 3.759 0.0017 . 1 . . . . 19 Leu HA . 19136 1 90 . 1 1 19 19 LEU C C 13 180.4 0.0000 . 1 . . . . 19 Leu C . 19136 1 91 . 1 1 19 19 LEU CA C 13 57.14 0.0190 . 1 . . . . 19 Leu CA . 19136 1 92 . 1 1 19 19 LEU CB C 13 42.48 0.0115 . 1 . . . . 19 Leu CB . 19136 1 93 . 1 1 19 19 LEU N N 15 120.1 0.0295 . 1 . . . . 19 Leu N . 19136 1 94 . 1 1 20 20 LEU H H 1 7.733 0.0091 . 1 . . . . 20 Leu H . 19136 1 95 . 1 1 20 20 LEU HA H 1 3.448 0.0097 . 1 . . . . 20 Leu HA . 19136 1 96 . 1 1 20 20 LEU C C 13 177.4 0.0000 . 1 . . . . 20 Leu C . 19136 1 97 . 1 1 20 20 LEU CA C 13 56.62 0.0476 . 1 . . . . 20 Leu CA . 19136 1 98 . 1 1 20 20 LEU CB C 13 41.68 0.0253 . 1 . . . . 20 Leu CB . 19136 1 99 . 1 1 20 20 LEU N N 15 118.3 0.0119 . 1 . . . . 20 Leu N . 19136 1 100 . 1 1 21 21 SER H H 1 7.412 0.0075 . 1 . . . . 21 Ser H . 19136 1 101 . 1 1 21 21 SER HA H 1 4.372 0.0087 . 1 . . . . 21 Ser HA . 19136 1 102 . 1 1 21 21 SER C C 13 172.5 0.0000 . 1 . . . . 21 Ser C . 19136 1 103 . 1 1 21 21 SER CA C 13 59.89 0.0050 . 1 . . . . 21 Ser CA . 19136 1 104 . 1 1 21 21 SER CB C 13 63.62 0.0678 . 1 . . . . 21 Ser CB . 19136 1 105 . 1 1 21 21 SER N N 15 112.8 0.0329 . 1 . . . . 21 Ser N . 19136 1 106 . 1 1 22 22 ASP H H 1 6.988 0.0048 . 1 . . . . 22 Asp H . 19136 1 107 . 1 1 22 22 ASP HA H 1 4.949 0.0037 . 1 . . . . 22 Asp HA . 19136 1 108 . 1 1 22 22 ASP C C 13 176.7 0.0000 . 1 . . . . 22 Asp C . 19136 1 109 . 1 1 22 22 ASP CA C 13 52.44 0.0435 . 1 . . . . 22 Asp CA . 19136 1 110 . 1 1 22 22 ASP CB C 13 42.76 0.1290 . 1 . . . . 22 Asp CB . 19136 1 111 . 1 1 22 22 ASP N N 15 120.4 0.0339 . 1 . . . . 22 Asp N . 19136 1 112 . 1 1 23 23 SER H H 1 8.941 0.0043 . 1 . . . . 23 Ser H . 19136 1 113 . 1 1 23 23 SER HA H 1 4.330 0.0000 . 1 . . . . 23 Ser HA . 19136 1 114 . 1 1 23 23 SER C C 13 176.6 0.0000 . 1 . . . . 23 Ser C . 19136 1 115 . 1 1 23 23 SER CA C 13 61.05 0.0493 . 1 . . . . 23 Ser CA . 19136 1 116 . 1 1 23 23 SER CB C 13 62.90 0.0046 . 1 . . . . 23 Ser CB . 19136 1 117 . 1 1 23 23 SER N N 15 122.2 0.0278 . 1 . . . . 23 Ser N . 19136 1 118 . 1 1 24 24 SER H H 1 8.926 0.0045 . 1 . . . . 24 Ser H . 19136 1 119 . 1 1 24 24 SER HA H 1 4.379 0.0045 . 1 . . . . 24 Ser HA . 19136 1 120 . 1 1 24 24 SER C C 13 175.7 0.0000 . 1 . . . . 24 Ser C . 19136 1 121 . 1 1 24 24 SER CA C 13 61.05 0.1299 . 1 . . . . 24 Ser CA . 19136 1 122 . 1 1 24 24 SER CB C 13 62.65 0.0514 . 1 . . . . 24 Ser CB . 19136 1 123 . 1 1 24 24 SER N N 15 120.1 0.0183 . 1 . . . . 24 Ser N . 19136 1 124 . 1 1 25 25 ASN H H 1 8.081 0.0043 . 1 . . . . 25 Asn H . 19136 1 125 . 1 1 25 25 ASN HA H 1 5.038 0.0045 . 1 . . . . 25 Asn HA . 19136 1 126 . 1 1 25 25 ASN C C 13 176.0 0.0000 . 1 . . . . 25 Asn C . 19136 1 127 . 1 1 25 25 ASN CA C 13 53.32 0.0191 . 1 . . . . 25 Asn CA . 19136 1 128 . 1 1 25 25 ASN CB C 13 38.80 0.0060 . 1 . . . . 25 Asn CB . 19136 1 129 . 1 1 25 25 ASN N N 15 117.1 0.0059 . 1 . . . . 25 Asn N . 19136 1 130 . 1 1 26 26 SER H H 1 7.949 0.0049 . 1 . . . . 26 Ser H . 19136 1 131 . 1 1 26 26 SER HA H 1 4.437 0.0208 . 1 . . . . 26 Ser HA . 19136 1 132 . 1 1 26 26 SER C C 13 174.5 0.0000 . 1 . . . . 26 Ser C . 19136 1 133 . 1 1 26 26 SER CA C 13 61.57 0.1344 . 1 . . . . 26 Ser CA . 19136 1 134 . 1 1 26 26 SER CB C 13 62.82 0.1281 . 1 . . . . 26 Ser CB . 19136 1 135 . 1 1 26 26 SER N N 15 118.2 0.0106 . 1 . . . . 26 Ser N . 19136 1 136 . 1 1 27 27 SER H H 1 7.874 0.0105 . 1 . . . . 27 Ser H . 19136 1 137 . 1 1 27 27 SER HA H 1 4.168 0.0112 . 1 . . . . 27 Ser HA . 19136 1 138 . 1 1 27 27 SER C C 13 174.5 0.0000 . 1 . . . . 27 Ser C . 19136 1 139 . 1 1 27 27 SER CA C 13 59.52 0.0513 . 1 . . . . 27 Ser CA . 19136 1 140 . 1 1 27 27 SER CB C 13 62.58 0.0149 . 1 . . . . 27 Ser CB . 19136 1 141 . 1 1 27 27 SER N N 15 115.5 0.0220 . 1 . . . . 27 Ser N . 19136 1 142 . 1 1 28 28 CYS H H 1 8.443 0.0042 . 1 . . . . 28 Cys H . 19136 1 143 . 1 1 28 28 CYS HA H 1 4.946 0.0029 . 1 . . . . 28 Cys HA . 19136 1 144 . 1 1 28 28 CYS C C 13 173.7 0.0000 . 1 . . . . 28 Cys C . 19136 1 145 . 1 1 28 28 CYS CA C 13 57.93 0.0674 . 1 . . . . 28 Cys CA . 19136 1 146 . 1 1 28 28 CYS CB C 13 30.74 0.0311 . 1 . . . . 28 Cys CB . 19136 1 147 . 1 1 28 28 CYS N N 15 115.9 0.0158 . 1 . . . . 28 Cys N . 19136 1 148 . 1 1 29 29 ILE H H 1 8.150 0.0058 . 1 . . . . 29 Ile H . 19136 1 149 . 1 1 29 29 ILE HA H 1 4.959 0.0086 . 1 . . . . 29 Ile HA . 19136 1 150 . 1 1 29 29 ILE C C 13 171.3 0.0000 . 1 . . . . 29 Ile C . 19136 1 151 . 1 1 29 29 ILE CA C 13 61.06 0.0414 . 1 . . . . 29 Ile CA . 19136 1 152 . 1 1 29 29 ILE CB C 13 40.41 0.0184 . 1 . . . . 29 Ile CB . 19136 1 153 . 1 1 29 29 ILE N N 15 123.7 0.0180 . 1 . . . . 29 Ile N . 19136 1 154 . 1 1 30 30 THR H H 1 8.597 0.0068 . 1 . . . . 30 Thr H . 19136 1 155 . 1 1 30 30 THR HA H 1 4.663 0.0017 . 1 . . . . 30 Thr HA . 19136 1 156 . 1 1 30 30 THR C C 13 172.6 0.0000 . 1 . . . . 30 Thr C . 19136 1 157 . 1 1 30 30 THR CA C 13 59.71 0.0195 . 1 . . . . 30 Thr CA . 19136 1 158 . 1 1 30 30 THR CB C 13 71.15 0.0396 . 1 . . . . 30 Thr CB . 19136 1 159 . 1 1 30 30 THR N N 15 119.4 0.0269 . 1 . . . . 30 Thr N . 19136 1 160 . 1 1 31 31 TRP H H 1 8.130 0.0066 . 1 . . . . 31 Trp H . 19136 1 161 . 1 1 31 31 TRP HA H 1 5.086 0.0059 . 1 . . . . 31 Trp HA . 19136 1 162 . 1 1 31 31 TRP C C 13 176.9 0.0000 . 1 . . . . 31 Trp C . 19136 1 163 . 1 1 31 31 TRP CA C 13 58.11 0.0285 . 1 . . . . 31 Trp CA . 19136 1 164 . 1 1 31 31 TRP CB C 13 31.23 0.0683 . 1 . . . . 31 Trp CB . 19136 1 165 . 1 1 31 31 TRP N N 15 127.5 0.0344 . 1 . . . . 31 Trp N . 19136 1 166 . 1 1 32 32 GLU H H 1 8.965 0.0096 . 1 . . . . 32 Glu H . 19136 1 167 . 1 1 32 32 GLU HA H 1 4.647 0.0084 . 1 . . . . 32 Glu HA . 19136 1 168 . 1 1 32 32 GLU C C 13 174.8 0.0000 . 1 . . . . 32 Glu C . 19136 1 169 . 1 1 32 32 GLU CA C 13 56.02 0.0211 . 1 . . . . 32 Glu CA . 19136 1 170 . 1 1 32 32 GLU CB C 13 31.84 0.0481 . 1 . . . . 32 Glu CB . 19136 1 171 . 1 1 32 32 GLU N N 15 123.9 0.0691 . 1 . . . . 32 Glu N . 19136 1 172 . 1 1 33 33 GLY H H 1 8.428 0.0033 . 1 . . . . 33 Gly H . 19136 1 173 . 1 1 33 33 GLY C C 13 175.4 0.0000 . 1 . . . . 33 Gly C . 19136 1 174 . 1 1 33 33 GLY CA C 13 45.03 0.0504 . 1 . . . . 33 Gly CA . 19136 1 175 . 1 1 33 33 GLY N N 15 111.3 0.0443 . 1 . . . . 33 Gly N . 19136 1 176 . 1 1 34 34 THR H H 1 8.534 0.0085 . 1 . . . . 34 Thr H . 19136 1 177 . 1 1 34 34 THR HA H 1 4.404 0.0000 . 1 . . . . 34 Thr HA . 19136 1 178 . 1 1 34 34 THR C C 13 174.6 0.0000 . 1 . . . . 34 Thr C . 19136 1 179 . 1 1 34 34 THR CA C 13 61.33 0.0209 . 1 . . . . 34 Thr CA . 19136 1 180 . 1 1 34 34 THR CB C 13 69.59 0.0216 . 1 . . . . 34 Thr CB . 19136 1 181 . 1 1 34 34 THR N N 15 112. 0.0083 . 1 . . . . 34 Thr N . 19136 1 182 . 1 1 35 35 ASN H H 1 8.814 0.0183 . 1 . . . . 35 Asn H . 19136 1 183 . 1 1 35 35 ASN HA H 1 4.763 0.0025 . 1 . . . . 35 Asn HA . 19136 1 184 . 1 1 35 35 ASN C C 13 175.2 0.0000 . 1 . . . . 35 Asn C . 19136 1 185 . 1 1 35 35 ASN CA C 13 53.50 0.0240 . 1 . . . . 35 Asn CA . 19136 1 186 . 1 1 35 35 ASN CB C 13 39.28 0.0167 . 1 . . . . 35 Asn CB . 19136 1 187 . 1 1 35 35 ASN N N 15 120.6 0.0150 . 1 . . . . 35 Asn N . 19136 1 188 . 1 1 36 36 GLY H H 1 8.453 0.0078 . 1 . . . . 36 Gly H . 19136 1 189 . 1 1 36 36 GLY C C 13 174.4 0.0000 . 1 . . . . 36 Gly C . 19136 1 190 . 1 1 36 36 GLY CA C 13 45.68 0.0000 . 1 . . . . 36 Gly CA . 19136 1 191 . 1 1 36 36 GLY N N 15 108.2 0.0276 . 1 . . . . 36 Gly N . 19136 1 192 . 1 1 37 37 GLU H H 1 8.387 0.0104 . 1 . . . . 37 Glu H . 19136 1 193 . 1 1 37 37 GLU HA H 1 5.066 0.0137 . 1 . . . . 37 Glu HA . 19136 1 194 . 1 1 37 37 GLU C C 13 176.3 0.0000 . 1 . . . . 37 Glu C . 19136 1 195 . 1 1 37 37 GLU CA C 13 56.66 0.0725 . 1 . . . . 37 Glu CA . 19136 1 196 . 1 1 37 37 GLU CB C 13 30.23 0.0879 . 1 . . . . 37 Glu CB . 19136 1 197 . 1 1 37 37 GLU N N 15 122.1 0.0335 . 1 . . . . 37 Glu N . 19136 1 198 . 1 1 38 38 PHE H H 1 9.517 0.0077 . 1 . . . . 38 Phe H . 19136 1 199 . 1 1 38 38 PHE HA H 1 5.427 0.0056 . 1 . . . . 38 Phe HA . 19136 1 200 . 1 1 38 38 PHE C C 13 171.7 0.0000 . 1 . . . . 38 Phe C . 19136 1 201 . 1 1 38 38 PHE CA C 13 56.08 0.0072 . 1 . . . . 38 Phe CA . 19136 1 202 . 1 1 38 38 PHE CB C 13 43.29 0.0063 . 1 . . . . 38 Phe CB . 19136 1 203 . 1 1 38 38 PHE N N 15 122. 0.0362 . 1 . . . . 38 Phe N . 19136 1 204 . 1 1 39 39 LYS H H 1 9.250 0.0067 . 1 . . . . 39 Lys H . 19136 1 205 . 1 1 39 39 LYS HA H 1 5.285 0.0078 . 1 . . . . 39 Lys HA . 19136 1 206 . 1 1 39 39 LYS C C 13 175.7 0.0000 . 1 . . . . 39 Lys C . 19136 1 207 . 1 1 39 39 LYS CA C 13 53.87 0.0589 . 1 . . . . 39 Lys CA . 19136 1 208 . 1 1 39 39 LYS CB C 13 36.61 0.0370 . 1 . . . . 39 Lys CB . 19136 1 209 . 1 1 39 39 LYS N N 15 118.4 0.0130 . 1 . . . . 39 Lys N . 19136 1 210 . 1 1 40 40 MET H H 1 8.747 0.0059 . 1 . . . . 40 Met H . 19136 1 211 . 1 1 40 40 MET HA H 1 4.862 0.0179 . 1 . . . . 40 Met HA . 19136 1 212 . 1 1 40 40 MET C C 13 174.0 0.0000 . 1 . . . . 40 Met C . 19136 1 213 . 1 1 40 40 MET CA C 13 55.13 0.0252 . 1 . . . . 40 Met CA . 19136 1 214 . 1 1 40 40 MET CB C 13 31.91 0.1247 . 1 . . . . 40 Met CB . 19136 1 215 . 1 1 40 40 MET N N 15 121.9 0.0313 . 1 . . . . 40 Met N . 19136 1 216 . 1 1 41 41 THR H H 1 7.260 0.0071 . 1 . . . . 41 Thr H . 19136 1 217 . 1 1 41 41 THR HA H 1 3.887 0.0046 . 1 . . . . 41 Thr HA . 19136 1 218 . 1 1 41 41 THR C C 13 175.9 0.0000 . 1 . . . . 41 Thr C . 19136 1 219 . 1 1 41 41 THR CA C 13 62.75 0.0247 . 1 . . . . 41 Thr CA . 19136 1 220 . 1 1 41 41 THR CB C 13 68.25 0.1600 . 1 . . . . 41 Thr CB . 19136 1 221 . 1 1 41 41 THR N N 15 118.0 0.0173 . 1 . . . . 41 Thr N . 19136 1 222 . 1 1 42 42 ASP H H 1 7.722 0.0163 . 1 . . . . 42 Asp H . 19136 1 223 . 1 1 42 42 ASP HA H 1 4.735 0.0070 . 1 . . . . 42 Asp HA . 19136 1 224 . 1 1 42 42 ASP CA C 13 51.65 0.0166 . 1 . . . . 42 Asp CA . 19136 1 225 . 1 1 42 42 ASP CB C 13 41.11 0.0263 . 1 . . . . 42 Asp CB . 19136 1 226 . 1 1 42 42 ASP N N 15 115.9 0.0162 . 1 . . . . 42 Asp N . 19136 1 227 . 1 1 43 43 PRO HA H 1 3.867 0.0048 . 1 . . . . 43 Pro HA . 19136 1 228 . 1 1 43 43 PRO C C 13 177.9 0.0000 . 1 . . . . 43 Pro C . 19136 1 229 . 1 1 43 43 PRO CA C 13 65.18 0.0662 . 1 . . . . 43 Pro CA . 19136 1 230 . 1 1 43 43 PRO CB C 13 32.24 0.0490 . 1 . . . . 43 Pro CB . 19136 1 231 . 1 1 44 44 ASP H H 1 7.658 0.0066 . 1 . . . . 44 Asp H . 19136 1 232 . 1 1 44 44 ASP HA H 1 4.354 0.0064 . 1 . . . . 44 Asp HA . 19136 1 233 . 1 1 44 44 ASP CA C 13 57.58 0.0141 . 1 . . . . 44 Asp CA . 19136 1 234 . 1 1 44 44 ASP CB C 13 40.27 0.0227 . 1 . . . . 44 Asp CB . 19136 1 235 . 1 1 44 44 ASP N N 15 115.8 0.0147 . 1 . . . . 44 Asp N . 19136 1 236 . 1 1 45 45 GLU H H 1 7.500 0.0085 . 1 . . . . 45 Glu H . 19136 1 237 . 1 1 45 45 GLU HA H 1 4.368 0.0064 . 1 . . . . 45 Glu HA . 19136 1 238 . 1 1 45 45 GLU C C 13 178.5 0.0000 . 1 . . . . 45 Glu C . 19136 1 239 . 1 1 45 45 GLU CA C 13 57.55 0.0237 . 1 . . . . 45 Glu CA . 19136 1 240 . 1 1 45 45 GLU CB C 13 28.64 0.0995 . 1 . . . . 45 Glu CB . 19136 1 241 . 1 1 45 45 GLU N N 15 123.0 0.0403 . 1 . . . . 45 Glu N . 19136 1 242 . 1 1 46 46 VAL H H 1 7.778 0.0034 . 1 . . . . 46 Val H . 19136 1 243 . 1 1 46 46 VAL HA H 1 3.272 0.0155 . 1 . . . . 46 Val HA . 19136 1 244 . 1 1 46 46 VAL C C 13 177.8 0.0000 . 1 . . . . 46 Val C . 19136 1 245 . 1 1 46 46 VAL CA C 13 68.01 0.0218 . 1 . . . . 46 Val CA . 19136 1 246 . 1 1 46 46 VAL CB C 13 31.15 0.0455 . 1 . . . . 46 Val CB . 19136 1 247 . 1 1 46 46 VAL N N 15 120.0 0.0144 . 1 . . . . 46 Val N . 19136 1 248 . 1 1 47 47 ALA H H 1 7.920 0.0069 . 1 . . . . 47 Ala H . 19136 1 249 . 1 1 47 47 ALA HA H 1 3.965 0.0039 . 1 . . . . 47 Ala HA . 19136 1 250 . 1 1 47 47 ALA C C 13 178.4 0.0000 . 1 . . . . 47 Ala C . 19136 1 251 . 1 1 47 47 ALA CA C 13 55.48 0.0509 . 1 . . . . 47 Ala CA . 19136 1 252 . 1 1 47 47 ALA CB C 13 17.69 0.0260 . 1 . . . . 47 Ala CB . 19136 1 253 . 1 1 47 47 ALA N N 15 118.7 0.0210 . 1 . . . . 47 Ala N . 19136 1 254 . 1 1 48 48 ARG H H 1 8.256 0.0129 . 1 . . . . 48 Arg H . 19136 1 255 . 1 1 48 48 ARG HA H 1 3.933 0.0104 . 1 . . . . 48 Arg HA . 19136 1 256 . 1 1 48 48 ARG C C 13 180.2 0.0000 . 1 . . . . 48 Arg C . 19136 1 257 . 1 1 48 48 ARG CA C 13 59.53 0.0465 . 1 . . . . 48 Arg CA . 19136 1 258 . 1 1 48 48 ARG CB C 13 30.40 0.1598 . 1 . . . . 48 Arg CB . 19136 1 259 . 1 1 48 48 ARG N N 15 119.5 0.0137 . 1 . . . . 48 Arg N . 19136 1 260 . 1 1 49 49 ARG H H 1 8.507 0.0057 . 1 . . . . 49 Arg H . 19136 1 261 . 1 1 49 49 ARG HA H 1 4.012 0.0072 . 1 . . . . 49 Arg HA . 19136 1 262 . 1 1 49 49 ARG C C 13 179.4 0.0000 . 1 . . . . 49 Arg C . 19136 1 263 . 1 1 49 49 ARG CA C 13 59.56 0.0406 . 1 . . . . 49 Arg CA . 19136 1 264 . 1 1 49 49 ARG CB C 13 29.97 0.0426 . 1 . . . . 49 Arg CB . 19136 1 265 . 1 1 49 49 ARG N N 15 119.1 0.0337 . 1 . . . . 49 Arg N . 19136 1 266 . 1 1 50 50 TRP H H 1 8.530 0.0063 . 1 . . . . 50 Trp H . 19136 1 267 . 1 1 50 50 TRP HA H 1 3.975 0.0120 . 1 . . . . 50 Trp HA . 19136 1 268 . 1 1 50 50 TRP C C 13 176.7 0.0000 . 1 . . . . 50 Trp C . 19136 1 269 . 1 1 50 50 TRP CA C 13 58.26 0.0350 . 1 . . . . 50 Trp CA . 19136 1 270 . 1 1 50 50 TRP CB C 13 30.28 0.0207 . 1 . . . . 50 Trp CB . 19136 1 271 . 1 1 50 50 TRP N N 15 124. 0.0252 . 1 . . . . 50 Trp N . 19136 1 272 . 1 1 51 51 GLY H H 1 8.525 0.0035 . 1 . . . . 51 Gly H . 19136 1 273 . 1 1 51 51 GLY C C 13 176.4 0.0000 . 1 . . . . 51 Gly C . 19136 1 274 . 1 1 51 51 GLY CA C 13 47.88 0.0462 . 1 . . . . 51 Gly CA . 19136 1 275 . 1 1 51 51 GLY N N 15 105.6 0.0249 . 1 . . . . 51 Gly N . 19136 1 276 . 1 1 52 52 GLU H H 1 7.881 0.0062 . 1 . . . . 52 Glu H . 19136 1 277 . 1 1 52 52 GLU HA H 1 3.877 0.0011 . 1 . . . . 52 Glu HA . 19136 1 278 . 1 1 52 52 GLU C C 13 179.1 0.0000 . 1 . . . . 52 Glu C . 19136 1 279 . 1 1 52 52 GLU CA C 13 58.99 0.0173 . 1 . . . . 52 Glu CA . 19136 1 280 . 1 1 52 52 GLU CB C 13 29.68 0.0318 . 1 . . . . 52 Glu CB . 19136 1 281 . 1 1 52 52 GLU N N 15 120.5 0.0208 . 1 . . . . 52 Glu N . 19136 1 282 . 1 1 53 53 ARG H H 1 7.599 0.0050 . 1 . . . . 53 Arg H . 19136 1 283 . 1 1 53 53 ARG HA H 1 3.947 0.0029 . 1 . . . . 53 Arg HA . 19136 1 284 . 1 1 53 53 ARG C C 13 177.3 0.0000 . 1 . . . . 53 Arg C . 19136 1 285 . 1 1 53 53 ARG CA C 13 56.55 0.0266 . 1 . . . . 53 Arg CA . 19136 1 286 . 1 1 53 53 ARG CB C 13 29.10 0.0714 . 1 . . . . 53 Arg CB . 19136 1 287 . 1 1 53 53 ARG N N 15 120.5 0.0172 . 1 . . . . 53 Arg N . 19136 1 288 . 1 1 54 54 LYS H H 1 7.326 0.0080 . 1 . . . . 54 Lys H . 19136 1 289 . 1 1 54 54 LYS HA H 1 3.853 0.0068 . 1 . . . . 54 Lys HA . 19136 1 290 . 1 1 54 54 LYS C C 13 175.1 0.0000 . 1 . . . . 54 Lys C . 19136 1 291 . 1 1 54 54 LYS CA C 13 52.71 0.0198 . 1 . . . . 54 Lys CA . 19136 1 292 . 1 1 54 54 LYS CB C 13 30.60 0.0995 . 1 . . . . 54 Lys CB . 19136 1 293 . 1 1 54 54 LYS N N 15 115.1 0.0170 . 1 . . . . 54 Lys N . 19136 1 294 . 1 1 55 55 SER H H 1 7.297 0.0053 . 1 . . . . 55 Ser H . 19136 1 295 . 1 1 55 55 SER HA H 1 3.797 0.0055 . 1 . . . . 55 Ser HA . 19136 1 296 . 1 1 55 55 SER C C 13 173.7 0.0000 . 1 . . . . 55 Ser C . 19136 1 297 . 1 1 55 55 SER CA C 13 58.58 0.0204 . 1 . . . . 55 Ser CA . 19136 1 298 . 1 1 55 55 SER CB C 13 61.24 0.0127 . 1 . . . . 55 Ser CB . 19136 1 299 . 1 1 55 55 SER N N 15 114.3 0.0238 . 1 . . . . 55 Ser N . 19136 1 300 . 1 1 56 56 LYS H H 1 8.476 0.0057 . 1 . . . . 56 Lys H . 19136 1 301 . 1 1 56 56 LYS HA H 1 4.677 0.0024 . 1 . . . . 56 Lys HA . 19136 1 302 . 1 1 56 56 LYS CA C 13 51.87 0.0330 . 1 . . . . 56 Lys CA . 19136 1 303 . 1 1 56 56 LYS CB C 13 34.13 0.0977 . 1 . . . . 56 Lys CB . 19136 1 304 . 1 1 56 56 LYS N N 15 119.2 0.0276 . 1 . . . . 56 Lys N . 19136 1 305 . 1 1 57 57 PRO HA H 1 4.221 0.0024 . 1 . . . . 57 Pro HA . 19136 1 306 . 1 1 57 57 PRO C C 13 176.8 0.0000 . 1 . . . . 57 Pro C . 19136 1 307 . 1 1 57 57 PRO CA C 13 63.44 0.0118 . 1 . . . . 57 Pro CA . 19136 1 308 . 1 1 57 57 PRO CB C 13 32.16 0.0274 . 1 . . . . 57 Pro CB . 19136 1 309 . 1 1 58 58 ASN H H 1 8.344 0.0030 . 1 . . . . 58 Asn H . 19136 1 310 . 1 1 58 58 ASN HA H 1 4.540 0.0087 . 1 . . . . 58 Asn HA . 19136 1 311 . 1 1 58 58 ASN C C 13 175.1 0.0000 . 1 . . . . 58 Asn C . 19136 1 312 . 1 1 58 58 ASN CA C 13 52.76 0.0153 . 1 . . . . 58 Asn CA . 19136 1 313 . 1 1 58 58 ASN CB C 13 37.27 0.0142 . 1 . . . . 58 Asn CB . 19136 1 314 . 1 1 58 58 ASN N N 15 115.0 0.0106 . 1 . . . . 58 Asn N . 19136 1 315 . 1 1 59 59 MET H H 1 7.859 0.0061 . 1 . . . . 59 Met H . 19136 1 316 . 1 1 59 59 MET HA H 1 4.267 0.0044 . 1 . . . . 59 Met HA . 19136 1 317 . 1 1 59 59 MET C C 13 174.0 0.0000 . 1 . . . . 59 Met C . 19136 1 318 . 1 1 59 59 MET CA C 13 55.25 0.0220 . 1 . . . . 59 Met CA . 19136 1 319 . 1 1 59 59 MET CB C 13 30.06 0.0120 . 1 . . . . 59 Met CB . 19136 1 320 . 1 1 59 59 MET N N 15 120.1 0.0195 . 1 . . . . 59 Met N . 19136 1 321 . 1 1 60 60 ASN H H 1 7.229 0.0049 . 1 . . . . 60 Asn H . 19136 1 322 . 1 1 60 60 ASN HA H 1 4.723 0.0060 . 1 . . . . 60 Asn HA . 19136 1 323 . 1 1 60 60 ASN C C 13 175.0 0.0000 . 1 . . . . 60 Asn C . 19136 1 324 . 1 1 60 60 ASN CA C 13 51.53 0.0141 . 1 . . . . 60 Asn CA . 19136 1 325 . 1 1 60 60 ASN CB C 13 39.85 0.0566 . 1 . . . . 60 Asn CB . 19136 1 326 . 1 1 60 60 ASN N N 15 120.2 0.0130 . 1 . . . . 60 Asn N . 19136 1 327 . 1 1 61 61 TYR H H 1 9.553 0.0081 . 1 . . . . 61 Tyr H . 19136 1 328 . 1 1 61 61 TYR HA H 1 4.018 0.0030 . 1 . . . . 61 Tyr HA . 19136 1 329 . 1 1 61 61 TYR C C 13 176.3 0.0000 . 1 . . . . 61 Tyr C . 19136 1 330 . 1 1 61 61 TYR CA C 13 62.46 0.0307 . 1 . . . . 61 Tyr CA . 19136 1 331 . 1 1 61 61 TYR CB C 13 37.69 0.0155 . 1 . . . . 61 Tyr CB . 19136 1 332 . 1 1 61 61 TYR N N 15 120.7 0.0178 . 1 . . . . 61 Tyr N . 19136 1 333 . 1 1 62 62 ASP H H 1 8.302 0.0035 . 1 . . . . 62 Asp H . 19136 1 334 . 1 1 62 62 ASP HA H 1 4.050 0.0039 . 1 . . . . 62 Asp HA . 19136 1 335 . 1 1 62 62 ASP C C 13 178.7 0.0000 . 1 . . . . 62 Asp C . 19136 1 336 . 1 1 62 62 ASP CA C 13 58.21 0.0272 . 1 . . . . 62 Asp CA . 19136 1 337 . 1 1 62 62 ASP CB C 13 40.59 0.0133 . 1 . . . . 62 Asp CB . 19136 1 338 . 1 1 62 62 ASP N N 15 121.9 0.0287 . 1 . . . . 62 Asp N . 19136 1 339 . 1 1 63 63 LYS H H 1 8.168 0.0031 . 1 . . . . 63 Lys H . 19136 1 340 . 1 1 63 63 LYS HA H 1 3.849 0.0048 . 1 . . . . 63 Lys HA . 19136 1 341 . 1 1 63 63 LYS C C 13 179.8 0.0000 . 1 . . . . 63 Lys C . 19136 1 342 . 1 1 63 63 LYS CA C 13 59.65 0.0365 . 1 . . . . 63 Lys CA . 19136 1 343 . 1 1 63 63 LYS CB C 13 33.68 0.0198 . 1 . . . . 63 Lys CB . 19136 1 344 . 1 1 63 63 LYS N N 15 118.7 0.0208 . 1 . . . . 63 Lys N . 19136 1 345 . 1 1 64 64 LEU H H 1 8.259 0.0055 . 1 . . . . 64 Leu H . 19136 1 346 . 1 1 64 64 LEU HA H 1 3.811 0.0035 . 1 . . . . 64 Leu HA . 19136 1 347 . 1 1 64 64 LEU C C 13 177.9 0.0000 . 1 . . . . 64 Leu C . 19136 1 348 . 1 1 64 64 LEU CA C 13 58.89 0.0408 . 1 . . . . 64 Leu CA . 19136 1 349 . 1 1 64 64 LEU CB C 13 42.85 0.0439 . 1 . . . . 64 Leu CB . 19136 1 350 . 1 1 64 64 LEU N N 15 123.7 0.0238 . 1 . . . . 64 Leu N . 19136 1 351 . 1 1 65 65 SER H H 1 8.754 0.0046 . 1 . . . . 65 Ser H . 19136 1 352 . 1 1 65 65 SER HA H 1 3.706 0.0061 . 1 . . . . 65 Ser HA . 19136 1 353 . 1 1 65 65 SER C C 13 177.3 0.0000 . 1 . . . . 65 Ser C . 19136 1 354 . 1 1 65 65 SER CA C 13 61.69 0.0394 . 1 . . . . 65 Ser CA . 19136 1 355 . 1 1 65 65 SER CB C 13 62.21 0.0000 . 1 . . . . 65 Ser CB . 19136 1 356 . 1 1 65 65 SER N N 15 113.8 0.0187 . 1 . . . . 65 Ser N . 19136 1 357 . 1 1 66 66 ARG H H 1 7.430 0.0095 . 1 . . . . 66 Arg H . 19136 1 358 . 1 1 66 66 ARG HA H 1 3.859 0.0034 . 1 . . . . 66 Arg HA . 19136 1 359 . 1 1 66 66 ARG C C 13 178.6 0.0000 . 1 . . . . 66 Arg C . 19136 1 360 . 1 1 66 66 ARG CA C 13 59.43 0.0527 . 1 . . . . 66 Arg CA . 19136 1 361 . 1 1 66 66 ARG CB C 13 29.93 0.0420 . 1 . . . . 66 Arg CB . 19136 1 362 . 1 1 66 66 ARG N N 15 122.2 0.0205 . 1 . . . . 66 Arg N . 19136 1 363 . 1 1 67 67 ALA H H 1 7.494 0.0028 . 1 . . . . 67 Ala H . 19136 1 364 . 1 1 67 67 ALA HA H 1 3.999 0.0045 . 1 . . . . 67 Ala HA . 19136 1 365 . 1 1 67 67 ALA C C 13 180.1 0.0000 . 1 . . . . 67 Ala C . 19136 1 366 . 1 1 67 67 ALA CA C 13 54.54 0.0043 . 1 . . . . 67 Ala CA . 19136 1 367 . 1 1 67 67 ALA CB C 13 18.01 0.0035 . 1 . . . . 67 Ala CB . 19136 1 368 . 1 1 67 67 ALA N N 15 123. 0.0367 . 1 . . . . 67 Ala N . 19136 1 369 . 1 1 68 68 LEU H H 1 7.747 0.0061 . 1 . . . . 68 Leu H . 19136 1 370 . 1 1 68 68 LEU HA H 1 3.767 0.0023 . 1 . . . . 68 Leu HA . 19136 1 371 . 1 1 68 68 LEU C C 13 178. 0.0000 . 1 . . . . 68 Leu C . 19136 1 372 . 1 1 68 68 LEU CA C 13 57.18 0.0285 . 1 . . . . 68 Leu CA . 19136 1 373 . 1 1 68 68 LEU CB C 13 40.95 0.0600 . 1 . . . . 68 Leu CB . 19136 1 374 . 1 1 68 68 LEU N N 15 116.9 0.0179 . 1 . . . . 68 Leu N . 19136 1 375 . 1 1 69 69 ARG H H 1 7.084 0.0067 . 1 . . . . 69 Arg H . 19136 1 376 . 1 1 69 69 ARG HA H 1 2.915 0.0045 . 1 . . . . 69 Arg HA . 19136 1 377 . 1 1 69 69 ARG C C 13 178.3 0.0000 . 1 . . . . 69 Arg C . 19136 1 378 . 1 1 69 69 ARG CA C 13 58.09 0.0314 . 1 . . . . 69 Arg CA . 19136 1 379 . 1 1 69 69 ARG CB C 13 29.64 0.0465 . 1 . . . . 69 Arg CB . 19136 1 380 . 1 1 69 69 ARG N N 15 115.8 0.0200 . 1 . . . . 69 Arg N . 19136 1 381 . 1 1 70 70 TYR H H 1 6.997 0.0047 . 1 . . . . 70 Tyr H . 19136 1 382 . 1 1 70 70 TYR HA H 1 4.066 0.0072 . 1 . . . . 70 Tyr HA . 19136 1 383 . 1 1 70 70 TYR C C 13 176.6 0.0000 . 1 . . . . 70 Tyr C . 19136 1 384 . 1 1 70 70 TYR CA C 13 60.35 0.0420 . 1 . . . . 70 Tyr CA . 19136 1 385 . 1 1 70 70 TYR CB C 13 38.47 0.0417 . 1 . . . . 70 Tyr CB . 19136 1 386 . 1 1 70 70 TYR N N 15 118.1 0.0261 . 1 . . . . 70 Tyr N . 19136 1 387 . 1 1 71 71 TYR H H 1 7.366 0.0058 . 1 . . . . 71 Tyr H . 19136 1 388 . 1 1 71 71 TYR HA H 1 4.342 0.0082 . 1 . . . . 71 Tyr HA . 19136 1 389 . 1 1 71 71 TYR C C 13 178.2 0.0000 . 1 . . . . 71 Tyr C . 19136 1 390 . 1 1 71 71 TYR CA C 13 58.02 0.0241 . 1 . . . . 71 Tyr CA . 19136 1 391 . 1 1 71 71 TYR CB C 13 37.75 0.0461 . 1 . . . . 71 Tyr CB . 19136 1 392 . 1 1 71 71 TYR N N 15 114.0 0.0199 . 1 . . . . 71 Tyr N . 19136 1 393 . 1 1 72 72 TYR H H 1 7.603 0.0044 . 1 . . . . 72 Tyr H . 19136 1 394 . 1 1 72 72 TYR HA H 1 5.237 0.0029 . 1 . . . . 72 Tyr HA . 19136 1 395 . 1 1 72 72 TYR C C 13 178.9 0.0000 . 1 . . . . 72 Tyr C . 19136 1 396 . 1 1 72 72 TYR CA C 13 57.47 0.0201 . 1 . . . . 72 Tyr CA . 19136 1 397 . 1 1 72 72 TYR CB C 13 36.52 0.0179 . 1 . . . . 72 Tyr CB . 19136 1 398 . 1 1 72 72 TYR N N 15 119.9 0.0276 . 1 . . . . 72 Tyr N . 19136 1 399 . 1 1 73 73 ASP H H 1 8.006 0.0044 . 1 . . . . 73 Asp H . 19136 1 400 . 1 1 73 73 ASP HA H 1 4.603 0.0124 . 1 . . . . 73 Asp HA . 19136 1 401 . 1 1 73 73 ASP C C 13 177.0 0.0000 . 1 . . . . 73 Asp C . 19136 1 402 . 1 1 73 73 ASP CA C 13 55.02 0.0313 . 1 . . . . 73 Asp CA . 19136 1 403 . 1 1 73 73 ASP CB C 13 40.25 0.0207 . 1 . . . . 73 Asp CB . 19136 1 404 . 1 1 73 73 ASP N N 15 118.2 0.0153 . 1 . . . . 73 Asp N . 19136 1 405 . 1 1 74 74 LYS H H 1 7.291 0.0066 . 1 . . . . 74 Lys H . 19136 1 406 . 1 1 74 74 LYS HA H 1 4.336 0.0041 . 1 . . . . 74 Lys HA . 19136 1 407 . 1 1 74 74 LYS C C 13 175.4 0.0000 . 1 . . . . 74 Lys C . 19136 1 408 . 1 1 74 74 LYS CA C 13 54.87 0.0415 . 1 . . . . 74 Lys CA . 19136 1 409 . 1 1 74 74 LYS CB C 13 32.74 0.0753 . 1 . . . . 74 Lys CB . 19136 1 410 . 1 1 74 74 LYS N N 15 116.1 0.0349 . 1 . . . . 74 Lys N . 19136 1 411 . 1 1 75 75 ASN H H 1 8.057 0.0061 . 1 . . . . 75 Asn H . 19136 1 412 . 1 1 75 75 ASN HA H 1 4.287 0.0047 . 1 . . . . 75 Asn HA . 19136 1 413 . 1 1 75 75 ASN C C 13 173.7 0.0000 . 1 . . . . 75 Asn C . 19136 1 414 . 1 1 75 75 ASN CA C 13 54.73 0.0569 . 1 . . . . 75 Asn CA . 19136 1 415 . 1 1 75 75 ASN CB C 13 36.99 0.0476 . 1 . . . . 75 Asn CB . 19136 1 416 . 1 1 75 75 ASN N N 15 115.1 0.0143 . 1 . . . . 75 Asn N . 19136 1 417 . 1 1 76 76 ILE H H 1 7.655 0.0067 . 1 . . . . 76 Ile H . 19136 1 418 . 1 1 76 76 ILE HA H 1 3.956 0.0094 . 1 . . . . 76 Ile HA . 19136 1 419 . 1 1 76 76 ILE C C 13 174.7 0.0000 . 1 . . . . 76 Ile C . 19136 1 420 . 1 1 76 76 ILE CA C 13 62.48 0.0833 . 1 . . . . 76 Ile CA . 19136 1 421 . 1 1 76 76 ILE CB C 13 40.45 0.0681 . 1 . . . . 76 Ile CB . 19136 1 422 . 1 1 76 76 ILE N N 15 114.7 0.0228 . 1 . . . . 76 Ile N . 19136 1 423 . 1 1 77 77 MET H H 1 7.037 0.0111 . 1 . . . . 77 Met H . 19136 1 424 . 1 1 77 77 MET HA H 1 5.154 0.0088 . 1 . . . . 77 Met HA . 19136 1 425 . 1 1 77 77 MET C C 13 173.6 0.0000 . 1 . . . . 77 Met C . 19136 1 426 . 1 1 77 77 MET CA C 13 54.47 0.0258 . 1 . . . . 77 Met CA . 19136 1 427 . 1 1 77 77 MET CB C 13 37.58 0.0612 . 1 . . . . 77 Met CB . 19136 1 428 . 1 1 77 77 MET N N 15 114.7 0.0474 . 1 . . . . 77 Met N . 19136 1 429 . 1 1 78 78 THR H H 1 8.435 0.0064 . 1 . . . . 78 Thr H . 19136 1 430 . 1 1 78 78 THR HA H 1 4.407 0.0077 . 1 . . . . 78 Thr HA . 19136 1 431 . 1 1 78 78 THR C C 13 172.7 0.0000 . 1 . . . . 78 Thr C . 19136 1 432 . 1 1 78 78 THR CA C 13 60.21 0.0478 . 1 . . . . 78 Thr CA . 19136 1 433 . 1 1 78 78 THR CB C 13 71.92 0.0682 . 1 . . . . 78 Thr CB . 19136 1 434 . 1 1 78 78 THR N N 15 112. 0.0551 . 1 . . . . 78 Thr N . 19136 1 435 . 1 1 79 79 LYS H H 1 7.912 0.0054 . 1 . . . . 79 Lys H . 19136 1 436 . 1 1 79 79 LYS HA H 1 3.957 0.0048 . 1 . . . . 79 Lys HA . 19136 1 437 . 1 1 79 79 LYS C C 13 176.1 0.0000 . 1 . . . . 79 Lys C . 19136 1 438 . 1 1 79 79 LYS CA C 13 56.09 0.0823 . 1 . . . . 79 Lys CA . 19136 1 439 . 1 1 79 79 LYS CB C 13 33.27 0.0997 . 1 . . . . 79 Lys CB . 19136 1 440 . 1 1 79 79 LYS N N 15 123.8 0.0247 . 1 . . . . 79 Lys N . 19136 1 441 . 1 1 80 80 VAL H H 1 7.470 0.0040 . 1 . . . . 80 Val H . 19136 1 442 . 1 1 80 80 VAL HA H 1 3.601 0.0060 . 1 . . . . 80 Val HA . 19136 1 443 . 1 1 80 80 VAL C C 13 175.6 0.0000 . 1 . . . . 80 Val C . 19136 1 444 . 1 1 80 80 VAL CA C 13 62.47 0.0445 . 1 . . . . 80 Val CA . 19136 1 445 . 1 1 80 80 VAL CB C 13 31.35 0.0463 . 1 . . . . 80 Val CB . 19136 1 446 . 1 1 80 80 VAL N N 15 127.6 0.0198 . 1 . . . . 80 Val N . 19136 1 447 . 1 1 81 81 HIS H H 1 8.480 0.0136 . 1 . . . . 81 His H . 19136 1 448 . 1 1 81 81 HIS HA H 1 4.256 0.0140 . 1 . . . . 81 His HA . 19136 1 449 . 1 1 81 81 HIS C C 13 176. 0.0000 . 1 . . . . 81 His C . 19136 1 450 . 1 1 81 81 HIS CA C 13 57.13 0.0246 . 1 . . . . 81 His CA . 19136 1 451 . 1 1 81 81 HIS CB C 13 28.75 0.1270 . 1 . . . . 81 His CB . 19136 1 452 . 1 1 81 81 HIS N N 15 127.3 0.0490 . 1 . . . . 81 His N . 19136 1 453 . 1 1 82 82 GLY H H 1 8.659 0.0141 . 1 . . . . 82 Gly H . 19136 1 454 . 1 1 82 82 GLY C C 13 173.0 0.0000 . 1 . . . . 82 Gly C . 19136 1 455 . 1 1 82 82 GLY CA C 13 45.31 0.0511 . 1 . . . . 82 Gly CA . 19136 1 456 . 1 1 82 82 GLY N N 15 112.0 0.0234 . 1 . . . . 82 Gly N . 19136 1 457 . 1 1 83 83 LYS H H 1 7.017 0.0052 . 1 . . . . 83 Lys H . 19136 1 458 . 1 1 83 83 LYS HA H 1 4.438 0.0051 . 1 . . . . 83 Lys HA . 19136 1 459 . 1 1 83 83 LYS C C 13 174.9 0.0000 . 1 . . . . 83 Lys C . 19136 1 460 . 1 1 83 83 LYS CA C 13 54.41 0.0228 . 1 . . . . 83 Lys CA . 19136 1 461 . 1 1 83 83 LYS CB C 13 36.09 0.0251 . 1 . . . . 83 Lys CB . 19136 1 462 . 1 1 83 83 LYS N N 15 118.4 0.0185 . 1 . . . . 83 Lys N . 19136 1 463 . 1 1 84 84 ARG H H 1 8.312 0.0034 . 1 . . . . 84 Arg H . 19136 1 464 . 1 1 84 84 ARG HA H 1 3.905 0.0093 . 1 . . . . 84 Arg HA . 19136 1 465 . 1 1 84 84 ARG C C 13 176.5 0.0000 . 1 . . . . 84 Arg C . 19136 1 466 . 1 1 84 84 ARG CA C 13 56.90 0.0116 . 1 . . . . 84 Arg CA . 19136 1 467 . 1 1 84 84 ARG CB C 13 30.87 0.0165 . 1 . . . . 84 Arg CB . 19136 1 468 . 1 1 84 84 ARG N N 15 122.0 0.0263 . 1 . . . . 84 Arg N . 19136 1 469 . 1 1 85 85 TYR H H 1 8.458 0.0060 . 1 . . . . 85 Tyr H . 19136 1 470 . 1 1 85 85 TYR HA H 1 4.322 0.0103 . 1 . . . . 85 Tyr HA . 19136 1 471 . 1 1 85 85 TYR C C 13 173.1 0.0000 . 1 . . . . 85 Tyr C . 19136 1 472 . 1 1 85 85 TYR CA C 13 56.87 0.0364 . 1 . . . . 85 Tyr CA . 19136 1 473 . 1 1 85 85 TYR CB C 13 37.33 0.0315 . 1 . . . . 85 Tyr CB . 19136 1 474 . 1 1 85 85 TYR N N 15 116.8 0.0232 . 1 . . . . 85 Tyr N . 19136 1 475 . 1 1 86 86 ALA H H 1 7.173 0.0059 . 1 . . . . 86 Ala H . 19136 1 476 . 1 1 86 86 ALA HA H 1 5.187 0.0160 . 1 . . . . 86 Ala HA . 19136 1 477 . 1 1 86 86 ALA C C 13 175.6 0.0000 . 1 . . . . 86 Ala C . 19136 1 478 . 1 1 86 86 ALA CA C 13 50.48 0.0615 . 1 . . . . 86 Ala CA . 19136 1 479 . 1 1 86 86 ALA CB C 13 22.23 0.0586 . 1 . . . . 86 Ala CB . 19136 1 480 . 1 1 86 86 ALA N N 15 119.9 0.0210 . 1 . . . . 86 Ala N . 19136 1 481 . 1 1 87 87 TYR H H 1 8.062 0.0077 . 1 . . . . 87 Tyr H . 19136 1 482 . 1 1 87 87 TYR HA H 1 4.619 0.0134 . 1 . . . . 87 Tyr HA . 19136 1 483 . 1 1 87 87 TYR C C 13 172.5 0.0000 . 1 . . . . 87 Tyr C . 19136 1 484 . 1 1 87 87 TYR CA C 13 56.15 0.0202 . 1 . . . . 87 Tyr CA . 19136 1 485 . 1 1 87 87 TYR CB C 13 43.75 0.0416 . 1 . . . . 87 Tyr CB . 19136 1 486 . 1 1 87 87 TYR N N 15 121.1 0.0231 . 1 . . . . 87 Tyr N . 19136 1 487 . 1 1 88 88 LYS H H 1 8.703 0.0115 . 1 . . . . 88 Lys H . 19136 1 488 . 1 1 88 88 LYS HA H 1 4.985 0.0083 . 1 . . . . 88 Lys HA . 19136 1 489 . 1 1 88 88 LYS CA C 13 54.87 0.0118 . 1 . . . . 88 Lys CA . 19136 1 490 . 1 1 88 88 LYS CB C 13 36.19 0.0537 . 1 . . . . 88 Lys CB . 19136 1 491 . 1 1 88 88 LYS N N 15 118.3 0.0240 . 1 . . . . 88 Lys N . 19136 1 492 . 1 1 93 93 GLY C C 13 173.1 0.0000 . 1 . . . . 93 Gly C . 19136 1 493 . 1 1 93 93 GLY CA C 13 45.33 0.0055 . 1 . . . . 93 Gly CA . 19136 1 494 . 1 1 94 94 ILE H H 1 7.210 0.0067 . 1 . . . . 94 Ile H . 19136 1 495 . 1 1 94 94 ILE HA H 1 3.949 0.0090 . 1 . . . . 94 Ile HA . 19136 1 496 . 1 1 94 94 ILE CA C 13 62.74 0.0297 . 1 . . . . 94 Ile CA . 19136 1 497 . 1 1 94 94 ILE CB C 13 39.39 0.0255 . 1 . . . . 94 Ile CB . 19136 1 498 . 1 1 94 94 ILE N N 15 122.7 0.0328 . 1 . . . . 94 Ile N . 19136 1 stop_ save_