data_4952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4952 _Entry.Title ; The UBX Domain: A Widespread Ubquitin-like Module ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-02-01 _Entry.Accession_date 2001-02-01 _Entry.Last_release_date 2001-03-09 _Entry.Original_release_date 2001-03-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Alex Buchberger . . . 4952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 4952 '15N chemical shifts' 87 4952 '1H chemical shifts' 493 4952 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 . . 2001-03-09 2001-02-01 original author . 4952 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4952 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The UBX Domain: A Widespread Ubquitin-like Module' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alex Buchberger . . . 4952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_faf1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_faf1 _Assembly.Entry_ID 4952 _Assembly.ID 1 _Assembly.Name 'UBX domain of fas accociated factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID momomer 4952 1 stop_ 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 'ubx domain' 1 $faf1 . . . native . . . . . 4952 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID faf1 abbreviation 4952 1 'UBX domain of fas accociated factor 1' system 4952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_faf1 _Entity.Sf_category entity _Entity.Sf_framecode faf1 _Entity.Entry_ID 4952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fas accociated factor 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 ; GSEAIRLSLEQALPPEPKEE NAEPVSKLRIRTPSGEFLER RFLASNKLQIVFDFVASKGF PWDEYKLLSTFPRRDVTQLD PNKSLLEVKLFPQETLFLEA KE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 PDB 1H8C . "Ubx Domain From Human Faf1" . . . . . 80.39 82 100.00 100.00 1.06e-49 . . . . 4952 1 2 no PDB 3QC8 . "Crystal Structure Of Faf1 Ubx Domain In Complex With P97VCP N DOMAIN Reveals The Conserved Fcisp Touch-Turn Motif Of Ubx Domain" . . . . . 78.43 84 100.00 100.00 5.79e-48 . . . . 4952 1 3 no PDB 3QCA . "Crystal Structure Of Faf1 Ubx Domain In Complex With P97VCP N DOMAIN Reveals The Conserved Fcisp Touch-Turn Motif Of Ubx Domain" . . . . . 78.43 84 100.00 100.00 5.79e-48 . . . . 4952 1 4 no PDB 3QQ8 . "Crystal Structure Of P97-N In Complex With Faf1-Ubx" . . . . . 81.37 85 100.00 100.00 1.47e-50 . . . . 4952 1 5 no PDB 3QX1 . "Crystal Structure Of Faf1 Ubx Domain" . . . . . 80.39 84 97.56 98.78 1.83e-48 . . . . 4952 1 6 no PDB 3R3M . "Crystal Structure Of The Faf1 Ubx Domain" . . . . . 81.37 85 100.00 100.00 1.47e-50 . . . . 4952 1 7 no DBJ BAF85529 . "unnamed protein product [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 9.44e-59 . . . . 4952 1 8 no DBJ BAG11065 . "FAS-associated factor 1 [synthetic construct]" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 9 no DBJ BAG52940 . "unnamed protein product [Homo sapiens]" . . . . . 72.55 464 98.65 100.00 1.33e-41 . . . . 4952 1 10 no DBJ BAG57107 . "unnamed protein product [Homo sapiens]" . . . . . 98.04 408 100.00 100.00 6.11e-61 . . . . 4952 1 11 no EMBL CAB63755 . "hypothetical protein [Homo sapiens]" . . . . . 98.04 554 100.00 100.00 1.96e-59 . . . . 4952 1 12 no EMBL CAB67705 . "Fas-associated factor, FAF1 [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 13 no GB AAA92091 . "FAF1 [Mus musculus]" . . . . . 98.04 649 97.00 99.00 7.13e-57 . . . . 4952 1 14 no GB AAD27713 . "CGI-03 protein [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 15 no GB AAD51876 . "Fas associated factor 1 [Homo sapiens]" . . . . . 98.04 490 100.00 100.00 1.45e-59 . . . . 4952 1 16 no GB AAD51886 . "fas-associated factor 1 [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 9.64e-59 . . . . 4952 1 17 no GB AAH04970 . "Fas (TNFRSF6) associated factor 1 [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 18 no REF NP_001039783 . "FAS-associated factor 1 [Bos taurus]" . . . . . 98.04 650 98.00 99.00 1.36e-56 . . . . 4952 1 19 no REF NP_001252796 . "FAS-associated factor 1 [Macaca mulatta]" . . . . . 98.04 650 99.00 100.00 5.38e-58 . . . . 4952 1 20 no REF NP_008982 . "FAS-associated factor 1 [Homo sapiens]" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 21 no REF NP_032009 . "FAS-associated factor 1 [Mus musculus]" . . . . . 98.04 649 97.00 99.00 8.23e-57 . . . . 4952 1 22 no REF XP_001137725 . "PREDICTED: FAS-associated factor 1 [Pan troglodytes]" . . . . . 98.04 650 100.00 100.00 7.77e-59 . . . . 4952 1 23 no SP P54731 . "RecName: Full=FAS-associated factor 1 [Mus musculus]" . . . . . 98.04 649 97.00 99.00 8.23e-57 . . . . 4952 1 24 no SP Q9UNN5 . "RecName: Full=FAS-associated factor 1; Short=hFAF1; AltName: Full=UBX domain-containing protein 12; AltName: Full=UBX domain-co" . . . . . 98.04 650 100.00 100.00 8.10e-59 . . . . 4952 1 25 no TPG DAA31193 . "TPA: Fas (TNFRSF6) associated factor 1 [Bos taurus]" . . . . . 98.04 650 98.00 99.00 1.36e-56 . . . . 4952 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID faf1 abbreviation 4952 1 'fas accociated factor 1' common 4952 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 . GLY . 4952 1 2 . SER . 4952 1 3 . GLU . 4952 1 4 . ALA . 4952 1 5 . ILE . 4952 1 6 . ARG . 4952 1 7 . LEU . 4952 1 8 . SER . 4952 1 9 . LEU . 4952 1 10 . GLU . 4952 1 11 . GLN . 4952 1 12 . ALA . 4952 1 13 . LEU . 4952 1 14 . PRO . 4952 1 15 . PRO . 4952 1 16 . GLU . 4952 1 17 . PRO . 4952 1 18 . LYS . 4952 1 19 . GLU . 4952 1 20 . GLU . 4952 1 21 . ASN . 4952 1 22 . ALA . 4952 1 23 . GLU . 4952 1 24 . PRO . 4952 1 25 . VAL . 4952 1 26 . SER . 4952 1 27 . LYS . 4952 1 28 . LEU . 4952 1 29 . ARG . 4952 1 30 . ILE . 4952 1 31 . ARG . 4952 1 32 . THR . 4952 1 33 . PRO . 4952 1 34 . SER . 4952 1 35 . GLY . 4952 1 36 . GLU . 4952 1 37 . PHE . 4952 1 38 . LEU . 4952 1 39 . GLU . 4952 1 40 . ARG . 4952 1 41 . ARG . 4952 1 42 . PHE . 4952 1 43 . LEU . 4952 1 44 . ALA . 4952 1 45 . SER . 4952 1 46 . ASN . 4952 1 47 . LYS . 4952 1 48 . LEU . 4952 1 49 . GLN . 4952 1 50 . ILE . 4952 1 51 . VAL . 4952 1 52 . PHE . 4952 1 53 . ASP . 4952 1 54 . PHE . 4952 1 55 . VAL . 4952 1 56 . ALA . 4952 1 57 . SER . 4952 1 58 . LYS . 4952 1 59 . GLY . 4952 1 60 . PHE . 4952 1 61 . PRO . 4952 1 62 . TRP . 4952 1 63 . ASP . 4952 1 64 . GLU . 4952 1 65 . TYR . 4952 1 66 . LYS . 4952 1 67 . LEU . 4952 1 68 . LEU . 4952 1 69 . SER . 4952 1 70 . THR . 4952 1 71 . PHE . 4952 1 72 . PRO . 4952 1 73 . ARG . 4952 1 74 . ARG . 4952 1 75 . ASP . 4952 1 76 . VAL . 4952 1 77 . THR . 4952 1 78 . GLN . 4952 1 79 . LEU . 4952 1 80 . ASP . 4952 1 81 . PRO . 4952 1 82 . ASN . 4952 1 83 . LYS . 4952 1 84 . SER . 4952 1 85 . LEU . 4952 1 86 . LEU . 4952 1 87 . GLU . 4952 1 88 . VAL . 4952 1 89 . LYS . 4952 1 90 . LEU . 4952 1 91 . PHE . 4952 1 92 . PRO . 4952 1 93 . GLN . 4952 1 94 . GLU . 4952 1 95 . THR . 4952 1 96 . LEU . 4952 1 97 . PHE . 4952 1 98 . LEU . 4952 1 99 . GLU . 4952 1 100 . ALA . 4952 1 101 . LYS . 4952 1 102 . GLU . 4952 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 4952 1 . SER 2 2 4952 1 . GLU 3 3 4952 1 . ALA 4 4 4952 1 . ILE 5 5 4952 1 . ARG 6 6 4952 1 . LEU 7 7 4952 1 . SER 8 8 4952 1 . LEU 9 9 4952 1 . GLU 10 10 4952 1 . GLN 11 11 4952 1 . ALA 12 12 4952 1 . LEU 13 13 4952 1 . PRO 14 14 4952 1 . PRO 15 15 4952 1 . GLU 16 16 4952 1 . PRO 17 17 4952 1 . LYS 18 18 4952 1 . GLU 19 19 4952 1 . GLU 20 20 4952 1 . ASN 21 21 4952 1 . ALA 22 22 4952 1 . GLU 23 23 4952 1 . PRO 24 24 4952 1 . VAL 25 25 4952 1 . SER 26 26 4952 1 . LYS 27 27 4952 1 . LEU 28 28 4952 1 . ARG 29 29 4952 1 . ILE 30 30 4952 1 . ARG 31 31 4952 1 . THR 32 32 4952 1 . PRO 33 33 4952 1 . SER 34 34 4952 1 . GLY 35 35 4952 1 . GLU 36 36 4952 1 . PHE 37 37 4952 1 . LEU 38 38 4952 1 . GLU 39 39 4952 1 . ARG 40 40 4952 1 . ARG 41 41 4952 1 . PHE 42 42 4952 1 . LEU 43 43 4952 1 . ALA 44 44 4952 1 . SER 45 45 4952 1 . ASN 46 46 4952 1 . LYS 47 47 4952 1 . LEU 48 48 4952 1 . GLN 49 49 4952 1 . ILE 50 50 4952 1 . VAL 51 51 4952 1 . PHE 52 52 4952 1 . ASP 53 53 4952 1 . PHE 54 54 4952 1 . VAL 55 55 4952 1 . ALA 56 56 4952 1 . SER 57 57 4952 1 . LYS 58 58 4952 1 . GLY 59 59 4952 1 . PHE 60 60 4952 1 . PRO 61 61 4952 1 . TRP 62 62 4952 1 . ASP 63 63 4952 1 . GLU 64 64 4952 1 . TYR 65 65 4952 1 . LYS 66 66 4952 1 . LEU 67 67 4952 1 . LEU 68 68 4952 1 . SER 69 69 4952 1 . THR 70 70 4952 1 . PHE 71 71 4952 1 . PRO 72 72 4952 1 . ARG 73 73 4952 1 . ARG 74 74 4952 1 . ASP 75 75 4952 1 . VAL 76 76 4952 1 . THR 77 77 4952 1 . GLN 78 78 4952 1 . LEU 79 79 4952 1 . ASP 80 80 4952 1 . PRO 81 81 4952 1 . ASN 82 82 4952 1 . LYS 83 83 4952 1 . SER 84 84 4952 1 . LEU 85 85 4952 1 . LEU 86 86 4952 1 . GLU 87 87 4952 1 . VAL 88 88 4952 1 . LYS 89 89 4952 1 . LEU 90 90 4952 1 . PHE 91 91 4952 1 . PRO 92 92 4952 1 . GLN 93 93 4952 1 . GLU 94 94 4952 1 . THR 95 95 4952 1 . LEU 96 96 4952 1 . PHE 97 97 4952 1 . LEU 98 98 4952 1 . GLU 99 99 4952 1 . ALA 100 100 4952 1 . LYS 101 101 4952 1 . GLU 102 102 4952 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 4952 _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 $faf1 . 9606 organism . 'Homo sapien' human . . Eukaryota Metazoa Homo sapien . . . . . . . . . . . . . . . . . . . . . 4952 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 4952 _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 $faf1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4952 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'fas accociated factor 1' . . . 1 $faf1 . . 5 . . mM . . . . 4952 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4952 _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 pH 5.8 0.2 n/a 4952 1 temperature 310 0.5 K 4952 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4952 _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 unknown unknown . 0 'spectrometer information not available' . . 4952 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 4952 _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 NMR_applied_experiment . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4952 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4952 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4952 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4952 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4952 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_1. _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_1. _Assigned_chem_shift_list.Entry_ID 4952 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4952 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 3 3 GLU HA H 1 4.18 0.015 . 1 . . . . . . . . 4952 1 2 . 1 1 3 3 GLU HB2 H 1 1.97 0.015 . 1 . . . . . . . . 4952 1 3 . 1 1 3 3 GLU HB3 H 1 1.97 0.015 . 1 . . . . . . . . 4952 1 4 . 1 1 3 3 GLU C C 13 174.62 0.15 . 1 . . . . . . . . 4952 1 5 . 1 1 3 3 GLU CA C 13 55.58 0.15 . 1 . . . . . . . . 4952 1 6 . 1 1 3 3 GLU CB C 13 27.44 0.15 . 1 . . . . . . . . 4952 1 7 . 1 1 4 4 ALA H H 1 8.14 0.015 . 1 . . . . . . . . 4952 1 8 . 1 1 4 4 ALA HA H 1 4.17 0.015 . 1 . . . . . . . . 4952 1 9 . 1 1 4 4 ALA HB1 H 1 1.35 0.015 . 1 . . . . . . . . 4952 1 10 . 1 1 4 4 ALA HB2 H 1 1.35 0.015 . 1 . . . . . . . . 4952 1 11 . 1 1 4 4 ALA HB3 H 1 1.35 0.015 . 1 . . . . . . . . 4952 1 12 . 1 1 4 4 ALA C C 13 176.65 0.15 . 1 . . . . . . . . 4952 1 13 . 1 1 4 4 ALA CA C 13 51.38 0.15 . 1 . . . . . . . . 4952 1 14 . 1 1 4 4 ALA CB C 13 16.71 0.15 . 1 . . . . . . . . 4952 1 15 . 1 1 4 4 ALA N N 15 123.27 0.2 . 1 . . . . . . . . 4952 1 16 . 1 1 5 5 ILE H H 1 7.75 0.015 . 1 . . . . . . . . 4952 1 17 . 1 1 5 5 ILE HA H 1 3.95 0.015 . 1 . . . . . . . . 4952 1 18 . 1 1 5 5 ILE HB H 1 1.84 0.015 . 1 . . . . . . . . 4952 1 19 . 1 1 5 5 ILE HG12 H 1 1.45 0.015 . 2 . . . . . . . . 4952 1 20 . 1 1 5 5 ILE HG13 H 1 1.14 0.015 . 2 . . . . . . . . 4952 1 21 . 1 1 5 5 ILE HG21 H 1 0.83 0.015 . 1 . . . . . . . . 4952 1 22 . 1 1 5 5 ILE HG22 H 1 0.83 0.015 . 1 . . . . . . . . 4952 1 23 . 1 1 5 5 ILE HG23 H 1 0.83 0.015 . 1 . . . . . . . . 4952 1 24 . 1 1 5 5 ILE HD11 H 1 0.76 0.015 . 1 . . . . . . . . 4952 1 25 . 1 1 5 5 ILE HD12 H 1 0.76 0.015 . 1 . . . . . . . . 4952 1 26 . 1 1 5 5 ILE HD13 H 1 0.76 0.015 . 1 . . . . . . . . 4952 1 27 . 1 1 5 5 ILE C C 13 174.78 0.15 . 1 . . . . . . . . 4952 1 28 . 1 1 5 5 ILE CA C 13 60.19 0.15 . 1 . . . . . . . . 4952 1 29 . 1 1 5 5 ILE CB C 13 35.98 0.15 . 1 . . . . . . . . 4952 1 30 . 1 1 5 5 ILE CD1 C 13 10.65 0.15 . 1 . . . . . . . . 4952 1 31 . 1 1 5 5 ILE N N 15 119.15 0.2 . 1 . . . . . . . . 4952 1 32 . 1 1 6 6 ARG H H 1 8.09 0.015 . 1 . . . . . . . . 4952 1 33 . 1 1 6 6 ARG HA H 1 4.12 0.015 . 1 . . . . . . . . 4952 1 34 . 1 1 6 6 ARG HB2 H 1 1.82 0.015 . 2 . . . . . . . . 4952 1 35 . 1 1 6 6 ARG HB3 H 1 1.17 0.015 . 2 . . . . . . . . 4952 1 36 . 1 1 6 6 ARG C C 13 173.23 0.15 . 1 . . . . . . . . 4952 1 37 . 1 1 6 6 ARG CA C 13 55.55 0.15 . 1 . . . . . . . . 4952 1 38 . 1 1 6 6 ARG CB C 13 28.27 0.15 . 1 . . . . . . . . 4952 1 39 . 1 1 6 6 ARG N N 15 123.33 0.2 . 1 . . . . . . . . 4952 1 40 . 1 1 7 7 LEU H H 1 8.17 0.015 . 1 . . . . . . . . 4952 1 41 . 1 1 7 7 LEU HA H 1 4.22 0.015 . 1 . . . . . . . . 4952 1 42 . 1 1 7 7 LEU HB2 H 1 1.59 0.015 . 1 . . . . . . . . 4952 1 43 . 1 1 7 7 LEU HB3 H 1 1.59 0.015 . 1 . . . . . . . . 4952 1 44 . 1 1 7 7 LEU C C 13 176.03 0.15 . 1 . . . . . . . . 4952 1 45 . 1 1 7 7 LEU CA C 13 54.08 0.15 . 1 . . . . . . . . 4952 1 46 . 1 1 7 7 LEU CB C 13 40.11 0.15 . 1 . . . . . . . . 4952 1 47 . 1 1 7 7 LEU N N 15 121.53 0.2 . 1 . . . . . . . . 4952 1 48 . 1 1 8 8 SER H H 1 8.04 0.015 . 1 . . . . . . . . 4952 1 49 . 1 1 8 8 SER HA H 1 4.33 0.015 . 1 . . . . . . . . 4952 1 50 . 1 1 8 8 SER HB2 H 1 3.89 0.015 . 1 . . . . . . . . 4952 1 51 . 1 1 8 8 SER HB3 H 1 3.89 0.015 . 1 . . . . . . . . 4952 1 52 . 1 1 8 8 SER C C 13 173.68 0.15 . 1 . . . . . . . . 4952 1 53 . 1 1 8 8 SER CA C 13 57.34 0.15 . 1 . . . . . . . . 4952 1 54 . 1 1 8 8 SER CB C 13 61.16 0.15 . 1 . . . . . . . . 4952 1 55 . 1 1 8 8 SER N N 15 115.59 0.2 . 1 . . . . . . . . 4952 1 56 . 1 1 9 9 LEU H H 1 8.06 0.015 . 1 . . . . . . . . 4952 1 57 . 1 1 9 9 LEU HA H 1 4.21 0.015 . 1 . . . . . . . . 4952 1 58 . 1 1 9 9 LEU HB2 H 1 1.72 0.015 . 2 . . . . . . . . 4952 1 59 . 1 1 9 9 LEU HB3 H 1 1.52 0.015 . 2 . . . . . . . . 4952 1 60 . 1 1 9 9 LEU C C 13 176.40 0.15 . 1 . . . . . . . . 4952 1 61 . 1 1 9 9 LEU CA C 13 54.31 0.15 . 1 . . . . . . . . 4952 1 62 . 1 1 9 9 LEU CB C 13 40.15 0.15 . 1 . . . . . . . . 4952 1 63 . 1 1 9 9 LEU N N 15 123.06 0.2 . 1 . . . . . . . . 4952 1 64 . 1 1 10 10 GLU H H 1 8.27 0.015 . 1 . . . . . . . . 4952 1 65 . 1 1 10 10 GLU HA H 1 4.07 0.015 . 1 . . . . . . . . 4952 1 66 . 1 1 10 10 GLU HB2 H 1 2.06 0.015 . 1 . . . . . . . . 4952 1 67 . 1 1 10 10 GLU HB3 H 1 2.06 0.015 . 1 . . . . . . . . 4952 1 68 . 1 1 10 10 GLU HG2 H 1 2.29 0.015 . 1 . . . . . . . . 4952 1 69 . 1 1 10 10 GLU HG3 H 1 2.29 0.015 . 1 . . . . . . . . 4952 1 70 . 1 1 10 10 GLU C C 13 175.70 0.15 . 1 . . . . . . . . 4952 1 71 . 1 1 10 10 GLU CA C 13 56.14 0.15 . 1 . . . . . . . . 4952 1 72 . 1 1 10 10 GLU CB C 13 27.89 0.15 . 1 . . . . . . . . 4952 1 73 . 1 1 10 10 GLU N N 15 119.56 0.2 . 1 . . . . . . . . 4952 1 74 . 1 1 11 11 GLN H H 1 8.05 0.015 . 1 . . . . . . . . 4952 1 75 . 1 1 11 11 GLN HA H 1 4.19 0.015 . 1 . . . . . . . . 4952 1 76 . 1 1 11 11 GLN HB2 H 1 2.05 0.015 . 1 . . . . . . . . 4952 1 77 . 1 1 11 11 GLN HB3 H 1 2.05 0.015 . 1 . . . . . . . . 4952 1 78 . 1 1 11 11 GLN HG2 H 1 2.38 0.015 . 1 . . . . . . . . 4952 1 79 . 1 1 11 11 GLN HG3 H 1 2.38 0.015 . 1 . . . . . . . . 4952 1 80 . 1 1 11 11 GLN C C 13 173.69 0.15 . 1 . . . . . . . . 4952 1 81 . 1 1 11 11 GLN CA C 13 54.36 0.15 . 1 . . . . . . . . 4952 1 82 . 1 1 11 11 GLN CB C 13 27.04 0.15 . 1 . . . . . . . . 4952 1 83 . 1 1 11 11 GLN N N 15 118.15 0.2 . 1 . . . . . . . . 4952 1 84 . 1 1 12 12 ALA H H 1 7.78 0.015 . 1 . . . . . . . . 4952 1 85 . 1 1 12 12 ALA HA H 1 4.32 0.015 . 1 . . . . . . . . 4952 1 86 . 1 1 12 12 ALA HB1 H 1 1.42 0.015 . 1 . . . . . . . . 4952 1 87 . 1 1 12 12 ALA HB2 H 1 1.42 0.015 . 1 . . . . . . . . 4952 1 88 . 1 1 12 12 ALA HB3 H 1 1.42 0.015 . 1 . . . . . . . . 4952 1 89 . 1 1 12 12 ALA C C 13 175.42 0.15 . 1 . . . . . . . . 4952 1 90 . 1 1 12 12 ALA CA C 13 49.89 0.15 . 1 . . . . . . . . 4952 1 91 . 1 1 12 12 ALA CB C 13 17.28 0.15 . 1 . . . . . . . . 4952 1 92 . 1 1 12 12 ALA N N 15 122.44 0.2 . 1 . . . . . . . . 4952 1 93 . 1 1 13 13 LEU H H 1 7.66 0.015 . 1 . . . . . . . . 4952 1 94 . 1 1 13 13 LEU HA H 1 4.59 0.015 . 1 . . . . . . . . 4952 1 95 . 1 1 13 13 LEU HB2 H 1 1.71 0.015 . 2 . . . . . . . . 4952 1 96 . 1 1 13 13 LEU HB3 H 1 1.46 0.015 . 2 . . . . . . . . 4952 1 97 . 1 1 13 13 LEU CA C 13 51.07 0.15 . 1 . . . . . . . . 4952 1 98 . 1 1 13 13 LEU N N 15 121.32 0.2 . 1 . . . . . . . . 4952 1 99 . 1 1 17 17 PRO HA H 1 4.37 0.015 . 1 . . . . . . . . 4952 1 100 . 1 1 17 17 PRO HB2 H 1 2.14 0.015 . 2 . . . . . . . . 4952 1 101 . 1 1 17 17 PRO HB3 H 1 1.79 0.015 . 2 . . . . . . . . 4952 1 102 . 1 1 17 17 PRO C C 13 174.34 0.15 . 1 . . . . . . . . 4952 1 103 . 1 1 17 17 PRO CA C 13 60.43 0.15 . 1 . . . . . . . . 4952 1 104 . 1 1 17 17 PRO CB C 13 29.95 0.15 . 1 . . . . . . . . 4952 1 105 . 1 1 18 18 LYS H H 1 8.39 0.015 . 1 . . . . . . . . 4952 1 106 . 1 1 18 18 LYS HA H 1 4.17 0.015 . 1 . . . . . . . . 4952 1 107 . 1 1 18 18 LYS HB2 H 1 1.91 0.015 . 2 . . . . . . . . 4952 1 108 . 1 1 18 18 LYS HB3 H 1 1.70 0.015 . 2 . . . . . . . . 4952 1 109 . 1 1 18 18 LYS C C 13 174.75 0.15 . 1 . . . . . . . . 4952 1 110 . 1 1 18 18 LYS CA C 13 53.92 0.15 . 1 . . . . . . . . 4952 1 111 . 1 1 18 18 LYS CB C 13 30.98 0.15 . 1 . . . . . . . . 4952 1 112 . 1 1 18 18 LYS N N 15 121.49 0.2 . 1 . . . . . . . . 4952 1 113 . 1 1 19 19 GLU H H 1 8.57 0.015 . 1 . . . . . . . . 4952 1 114 . 1 1 19 19 GLU HA H 1 3.96 0.015 . 1 . . . . . . . . 4952 1 115 . 1 1 19 19 GLU HB2 H 1 1.92 0.015 . 1 . . . . . . . . 4952 1 116 . 1 1 19 19 GLU HB3 H 1 1.92 0.015 . 1 . . . . . . . . 4952 1 117 . 1 1 19 19 GLU HG2 H 1 2.16 0.015 . 1 . . . . . . . . 4952 1 118 . 1 1 19 19 GLU HG3 H 1 2.16 0.015 . 1 . . . . . . . . 4952 1 119 . 1 1 19 19 GLU C C 13 174.79 0.15 . 1 . . . . . . . . 4952 1 120 . 1 1 19 19 GLU CA C 13 56.29 0.15 . 1 . . . . . . . . 4952 1 121 . 1 1 19 19 GLU CB C 13 27.82 0.15 . 1 . . . . . . . . 4952 1 122 . 1 1 19 19 GLU N N 15 120.67 0.2 . 1 . . . . . . . . 4952 1 123 . 1 1 20 20 GLU H H 1 8.32 0.015 . 1 . . . . . . . . 4952 1 124 . 1 1 20 20 GLU HA H 1 4.20 0.015 . 1 . . . . . . . . 4952 1 125 . 1 1 20 20 GLU HB2 H 1 1.94 0.015 . 1 . . . . . . . . 4952 1 126 . 1 1 20 20 GLU HB3 H 1 1.94 0.015 . 1 . . . . . . . . 4952 1 127 . 1 1 20 20 GLU C C 13 173.61 0.15 . 1 . . . . . . . . 4952 1 128 . 1 1 20 20 GLU CA C 13 54.33 0.15 . 1 . . . . . . . . 4952 1 129 . 1 1 20 20 GLU CB C 13 26.99 0.15 . 1 . . . . . . . . 4952 1 130 . 1 1 20 20 GLU N N 15 118.26 0.2 . 1 . . . . . . . . 4952 1 131 . 1 1 21 21 ASN H H 1 7.96 0.015 . 1 . . . . . . . . 4952 1 132 . 1 1 21 21 ASN HA H 1 4.58 0.015 . 1 . . . . . . . . 4952 1 133 . 1 1 21 21 ASN HB2 H 1 2.84 0.015 . 2 . . . . . . . . 4952 1 134 . 1 1 21 21 ASN HB3 H 1 2.74 0.015 . 2 . . . . . . . . 4952 1 135 . 1 1 21 21 ASN C C 13 172.71 0.15 . 1 . . . . . . . . 4952 1 136 . 1 1 21 21 ASN CA C 13 51.56 0.15 . 1 . . . . . . . . 4952 1 137 . 1 1 21 21 ASN CB C 13 38.02 0.15 . 1 . . . . . . . . 4952 1 138 . 1 1 21 21 ASN N N 15 120.95 0.2 . 1 . . . . . . . . 4952 1 139 . 1 1 22 22 ALA H H 1 8.38 0.015 . 1 . . . . . . . . 4952 1 140 . 1 1 22 22 ALA HA H 1 4.23 0.015 . 1 . . . . . . . . 4952 1 141 . 1 1 22 22 ALA HB1 H 1 1.39 0.015 . 1 . . . . . . . . 4952 1 142 . 1 1 22 22 ALA HB2 H 1 1.39 0.015 . 1 . . . . . . . . 4952 1 143 . 1 1 22 22 ALA HB3 H 1 1.39 0.015 . 1 . . . . . . . . 4952 1 144 . 1 1 22 22 ALA C C 13 175.79 0.15 . 1 . . . . . . . . 4952 1 145 . 1 1 22 22 ALA CA C 13 51.22 0.15 . 1 . . . . . . . . 4952 1 146 . 1 1 22 22 ALA CB C 13 17.13 0.15 . 1 . . . . . . . . 4952 1 147 . 1 1 22 22 ALA N N 15 124.79 0.2 . 1 . . . . . . . . 4952 1 148 . 1 1 23 23 GLU H H 1 8.02 0.015 . 1 . . . . . . . . 4952 1 149 . 1 1 23 23 GLU HA H 1 4.58 0.015 . 1 . . . . . . . . 4952 1 150 . 1 1 23 23 GLU HB2 H 1 1.79 0.015 . 1 . . . . . . . . 4952 1 151 . 1 1 23 23 GLU HB3 H 1 1.79 0.015 . 1 . . . . . . . . 4952 1 152 . 1 1 23 23 GLU HG2 H 1 2.20 0.015 . 1 . . . . . . . . 4952 1 153 . 1 1 23 23 GLU HG3 H 1 2.20 0.015 . 1 . . . . . . . . 4952 1 154 . 1 1 23 23 GLU CA C 13 52.23 0.15 . 1 . . . . . . . . 4952 1 155 . 1 1 23 23 GLU N N 15 118.69 0.2 . 1 . . . . . . . . 4952 1 156 . 1 1 24 24 PRO HA H 1 4.29 0.015 . 1 . . . . . . . . 4952 1 157 . 1 1 24 24 PRO HB2 H 1 2.28 0.015 . 2 . . . . . . . . 4952 1 158 . 1 1 24 24 PRO HB3 H 1 1.78 0.015 . 2 . . . . . . . . 4952 1 159 . 1 1 24 24 PRO C C 13 176.80 0.15 . 1 . . . . . . . . 4952 1 160 . 1 1 24 24 PRO CA C 13 61.50 0.15 . 1 . . . . . . . . 4952 1 161 . 1 1 24 24 PRO CB C 13 29.66 0.15 . 1 . . . . . . . . 4952 1 162 . 1 1 25 25 VAL H H 1 8.53 0.015 . 1 . . . . . . . . 4952 1 163 . 1 1 25 25 VAL HA H 1 4.72 0.015 . 1 . . . . . . . . 4952 1 164 . 1 1 25 25 VAL HB H 1 1.99 0.015 . 1 . . . . . . . . 4952 1 165 . 1 1 25 25 VAL HG11 H 1 0.94 0.015 . 2 . . . . . . . . 4952 1 166 . 1 1 25 25 VAL HG12 H 1 0.94 0.015 . 2 . . . . . . . . 4952 1 167 . 1 1 25 25 VAL HG13 H 1 0.94 0.015 . 2 . . . . . . . . 4952 1 168 . 1 1 25 25 VAL HG21 H 1 0.85 0.015 . 2 . . . . . . . . 4952 1 169 . 1 1 25 25 VAL HG22 H 1 0.85 0.015 . 2 . . . . . . . . 4952 1 170 . 1 1 25 25 VAL HG23 H 1 0.85 0.015 . 2 . . . . . . . . 4952 1 171 . 1 1 25 25 VAL C C 13 172.74 0.15 . 1 . . . . . . . . 4952 1 172 . 1 1 25 25 VAL CA C 13 59.01 0.15 . 1 . . . . . . . . 4952 1 173 . 1 1 25 25 VAL CB C 13 33.84 0.15 . 1 . . . . . . . . 4952 1 174 . 1 1 25 25 VAL N N 15 123.87 0.2 . 1 . . . . . . . . 4952 1 175 . 1 1 26 26 SER H H 1 9.31 0.015 . 1 . . . . . . . . 4952 1 176 . 1 1 26 26 SER HA H 1 5.07 0.015 . 1 . . . . . . . . 4952 1 177 . 1 1 26 26 SER HB2 H 1 3.60 0.015 . 1 . . . . . . . . 4952 1 178 . 1 1 26 26 SER HB3 H 1 3.60 0.015 . 1 . . . . . . . . 4952 1 179 . 1 1 26 26 SER C C 13 171.35 0.15 . 1 . . . . . . . . 4952 1 180 . 1 1 26 26 SER CA C 13 55.44 0.15 . 1 . . . . . . . . 4952 1 181 . 1 1 26 26 SER CB C 13 63.30 0.15 . 1 . . . . . . . . 4952 1 182 . 1 1 26 26 SER N N 15 120.10 0.2 . 1 . . . . . . . . 4952 1 183 . 1 1 27 27 LYS H H 1 8.42 0.015 . 1 . . . . . . . . 4952 1 184 . 1 1 27 27 LYS HA H 1 4.54 0.015 . 1 . . . . . . . . 4952 1 185 . 1 1 27 27 LYS HB2 H 1 1.85 0.015 . 2 . . . . . . . . 4952 1 186 . 1 1 27 27 LYS HB3 H 1 1.59 0.015 . 2 . . . . . . . . 4952 1 187 . 1 1 27 27 LYS C C 13 172.81 0.15 . 1 . . . . . . . . 4952 1 188 . 1 1 27 27 LYS CA C 13 53.60 0.15 . 1 . . . . . . . . 4952 1 189 . 1 1 27 27 LYS CB C 13 30.10 0.15 . 1 . . . . . . . . 4952 1 190 . 1 1 27 27 LYS N N 15 125.56 0.2 . 1 . . . . . . . . 4952 1 191 . 1 1 28 28 LEU H H 1 8.42 0.015 . 1 . . . . . . . . 4952 1 192 . 1 1 28 28 LEU HA H 1 5.27 0.015 . 1 . . . . . . . . 4952 1 193 . 1 1 28 28 LEU HB2 H 1 1.89 0.015 . 2 . . . . . . . . 4952 1 194 . 1 1 28 28 LEU HB3 H 1 1.14 0.015 . 2 . . . . . . . . 4952 1 195 . 1 1 28 28 LEU HG H 1 1.66 0.015 . 1 . . . . . . . . 4952 1 196 . 1 1 28 28 LEU HD11 H 1 0.64 0.015 . 2 . . . . . . . . 4952 1 197 . 1 1 28 28 LEU HD12 H 1 0.64 0.015 . 2 . . . . . . . . 4952 1 198 . 1 1 28 28 LEU HD13 H 1 0.64 0.015 . 2 . . . . . . . . 4952 1 199 . 1 1 28 28 LEU HD21 H 1 0.69 0.015 . 2 . . . . . . . . 4952 1 200 . 1 1 28 28 LEU HD22 H 1 0.69 0.015 . 2 . . . . . . . . 4952 1 201 . 1 1 28 28 LEU HD23 H 1 0.69 0.015 . 2 . . . . . . . . 4952 1 202 . 1 1 28 28 LEU C C 13 174.86 0.15 . 1 . . . . . . . . 4952 1 203 . 1 1 28 28 LEU CA C 13 51.03 0.15 . 1 . . . . . . . . 4952 1 204 . 1 1 28 28 LEU CB C 13 41.93 0.15 . 1 . . . . . . . . 4952 1 205 . 1 1 28 28 LEU N N 15 124.05 0.2 . 1 . . . . . . . . 4952 1 206 . 1 1 29 29 ARG H H 1 8.17 0.015 . 1 . . . . . . . . 4952 1 207 . 1 1 29 29 ARG HA H 1 5.22 0.015 . 1 . . . . . . . . 4952 1 208 . 1 1 29 29 ARG HB2 H 1 1.75 0.015 . 1 . . . . . . . . 4952 1 209 . 1 1 29 29 ARG HB3 H 1 1.75 0.015 . 1 . . . . . . . . 4952 1 210 . 1 1 29 29 ARG C C 13 174.49 0.15 . 1 . . . . . . . . 4952 1 211 . 1 1 29 29 ARG CA C 13 52.48 0.15 . 1 . . . . . . . . 4952 1 212 . 1 1 29 29 ARG CB C 13 30.79 0.15 . 1 . . . . . . . . 4952 1 213 . 1 1 29 29 ARG N N 15 121.53 0.2 . 1 . . . . . . . . 4952 1 214 . 1 1 30 30 ILE H H 1 9.55 0.015 . 1 . . . . . . . . 4952 1 215 . 1 1 30 30 ILE HA H 1 4.80 0.015 . 1 . . . . . . . . 4952 1 216 . 1 1 30 30 ILE HB H 1 1.75 0.015 . 1 . . . . . . . . 4952 1 217 . 1 1 30 30 ILE HG12 H 1 1.49 0.015 . 1 . . . . . . . . 4952 1 218 . 1 1 30 30 ILE HG13 H 1 1.49 0.015 . 1 . . . . . . . . 4952 1 219 . 1 1 30 30 ILE HG21 H 1 0.48 0.015 . 1 . . . . . . . . 4952 1 220 . 1 1 30 30 ILE HG22 H 1 0.48 0.015 . 1 . . . . . . . . 4952 1 221 . 1 1 30 30 ILE HG23 H 1 0.48 0.015 . 1 . . . . . . . . 4952 1 222 . 1 1 30 30 ILE HD11 H 1 0.89 0.015 . 1 . . . . . . . . 4952 1 223 . 1 1 30 30 ILE HD12 H 1 0.89 0.015 . 1 . . . . . . . . 4952 1 224 . 1 1 30 30 ILE HD13 H 1 0.89 0.015 . 1 . . . . . . . . 4952 1 225 . 1 1 30 30 ILE C C 13 172.29 0.15 . 1 . . . . . . . . 4952 1 226 . 1 1 30 30 ILE CA C 13 57.54 0.15 . 1 . . . . . . . . 4952 1 227 . 1 1 30 30 ILE CB C 13 39.13 0.15 . 1 . . . . . . . . 4952 1 228 . 1 1 30 30 ILE CD1 C 13 12.15 0.15 . 1 . . . . . . . . 4952 1 229 . 1 1 30 30 ILE N N 15 123.83 0.2 . 1 . . . . . . . . 4952 1 230 . 1 1 31 31 ARG H H 1 9.14 0.015 . 1 . . . . . . . . 4952 1 231 . 1 1 31 31 ARG HA H 1 4.14 0.015 . 1 . . . . . . . . 4952 1 232 . 1 1 31 31 ARG HB2 H 1 1.70 0.015 . 2 . . . . . . . . 4952 1 233 . 1 1 31 31 ARG HB3 H 1 1.10 0.015 . 2 . . . . . . . . 4952 1 234 . 1 1 31 31 ARG C C 13 174.36 0.15 . 1 . . . . . . . . 4952 1 235 . 1 1 31 31 ARG CA C 13 53.32 0.15 . 1 . . . . . . . . 4952 1 236 . 1 1 31 31 ARG CB C 13 29.17 0.15 . 1 . . . . . . . . 4952 1 237 . 1 1 31 31 ARG N N 15 129.55 0.2 . 1 . . . . . . . . 4952 1 238 . 1 1 32 32 THR H H 1 8.89 0.015 . 1 . . . . . . . . 4952 1 239 . 1 1 32 32 THR HA H 1 4.17 0.015 . 1 . . . . . . . . 4952 1 240 . 1 1 32 32 THR HB H 1 4.26 0.015 . 1 . . . . . . . . 4952 1 241 . 1 1 32 32 THR HG21 H 1 0.88 0.015 . 1 . . . . . . . . 4952 1 242 . 1 1 32 32 THR HG22 H 1 0.88 0.015 . 1 . . . . . . . . 4952 1 243 . 1 1 32 32 THR HG23 H 1 0.88 0.015 . 1 . . . . . . . . 4952 1 244 . 1 1 32 32 THR CA C 13 58.34 0.15 . 1 . . . . . . . . 4952 1 245 . 1 1 32 32 THR CB C 13 65.30 0.15 . 1 . . . . . . . . 4952 1 246 . 1 1 32 32 THR CG2 C 13 19.34 0.15 . 1 . . . . . . . . 4952 1 247 . 1 1 32 32 THR N N 15 119.59 0.2 . 1 . . . . . . . . 4952 1 248 . 1 1 34 34 SER HA H 1 4.44 0.015 . 1 . . . . . . . . 4952 1 249 . 1 1 34 34 SER HB2 H 1 4.05 0.015 . 1 . . . . . . . . 4952 1 250 . 1 1 34 34 SER HB3 H 1 3.86 0.015 . 1 . . . . . . . . 4952 1 251 . 1 1 34 34 SER C C 13 173.27 0.15 . 1 . . . . . . . . 4952 1 252 . 1 1 34 34 SER CA C 13 56.33 0.15 . 1 . . . . . . . . 4952 1 253 . 1 1 34 34 SER CB C 13 61.39 0.15 . 1 . . . . . . . . 4952 1 254 . 1 1 35 35 GLY H H 1 8.10 0.015 . 1 . . . . . . . . 4952 1 255 . 1 1 35 35 GLY HA2 H 1 4.24 0.015 . 1 . . . . . . . . 4952 1 256 . 1 1 35 35 GLY HA3 H 1 3.15 0.015 . 1 . . . . . . . . 4952 1 257 . 1 1 35 35 GLY C C 13 171.76 0.15 . 1 . . . . . . . . 4952 1 258 . 1 1 35 35 GLY CA C 13 42.84 0.15 . 1 . . . . . . . . 4952 1 259 . 1 1 35 35 GLY N N 15 110.11 0.2 . 1 . . . . . . . . 4952 1 260 . 1 1 36 36 GLU H H 1 7.16 0.015 . 1 . . . . . . . . 4952 1 261 . 1 1 36 36 GLU HA H 1 4.28 0.015 . 1 . . . . . . . . 4952 1 262 . 1 1 36 36 GLU HB2 H 1 1.77 0.015 . 2 . . . . . . . . 4952 1 263 . 1 1 36 36 GLU HB3 H 1 1.97 0.015 . 2 . . . . . . . . 4952 1 264 . 1 1 36 36 GLU HG2 H 1 2.14 0.015 . 1 . . . . . . . . 4952 1 265 . 1 1 36 36 GLU HG3 H 1 2.14 0.015 . 1 . . . . . . . . 4952 1 266 . 1 1 36 36 GLU C C 13 173.22 0.15 . 1 . . . . . . . . 4952 1 267 . 1 1 36 36 GLU CA C 13 53.51 0.15 . 1 . . . . . . . . 4952 1 268 . 1 1 36 36 GLU CB C 13 28.20 0.15 . 1 . . . . . . . . 4952 1 269 . 1 1 36 36 GLU N N 15 119.28 0.2 . 1 . . . . . . . . 4952 1 270 . 1 1 37 37 PHE H H 1 8.87 0.015 . 1 . . . . . . . . 4952 1 271 . 1 1 37 37 PHE HA H 1 5.23 0.015 . 1 . . . . . . . . 4952 1 272 . 1 1 37 37 PHE HB2 H 1 2.88 0.015 . 2 . . . . . . . . 4952 1 273 . 1 1 37 37 PHE HB3 H 1 2.58 0.015 . 2 . . . . . . . . 4952 1 274 . 1 1 37 37 PHE HD1 H 1 7.07 0.015 . 1 . . . . . . . . 4952 1 275 . 1 1 37 37 PHE HD2 H 1 7.07 0.015 . 1 . . . . . . . . 4952 1 276 . 1 1 37 37 PHE HE1 H 1 7.22 0.015 . 1 . . . . . . . . 4952 1 277 . 1 1 37 37 PHE HE2 H 1 7.22 0.015 . 1 . . . . . . . . 4952 1 278 . 1 1 37 37 PHE HZ H 1 7.31 0.015 . 1 . . . . . . . . 4952 1 279 . 1 1 37 37 PHE C C 13 172.99 0.15 . 1 . . . . . . . . 4952 1 280 . 1 1 37 37 PHE CA C 13 55.66 0.15 . 1 . . . . . . . . 4952 1 281 . 1 1 37 37 PHE CB C 13 39.01 0.15 . 1 . . . . . . . . 4952 1 282 . 1 1 37 37 PHE N N 15 119.38 0.2 . 1 . . . . . . . . 4952 1 283 . 1 1 38 38 LEU H H 1 9.52 0.015 . 1 . . . . . . . . 4952 1 284 . 1 1 38 38 LEU HA H 1 4.71 0.015 . 1 . . . . . . . . 4952 1 285 . 1 1 38 38 LEU HB2 H 1 1.95 0.015 . 1 . . . . . . . . 4952 1 286 . 1 1 38 38 LEU HB3 H 1 1.57 0.015 . 1 . . . . . . . . 4952 1 287 . 1 1 38 38 LEU C C 13 174.37 0.15 . 1 . . . . . . . . 4952 1 288 . 1 1 38 38 LEU CA C 13 51.26 0.15 . 1 . . . . . . . . 4952 1 289 . 1 1 38 38 LEU CB C 13 41.18 0.15 . 1 . . . . . . . . 4952 1 290 . 1 1 38 38 LEU N N 15 123.81 0.2 . 1 . . . . . . . . 4952 1 291 . 1 1 39 39 GLU H H 1 8.76 0.015 . 1 . . . . . . . . 4952 1 292 . 1 1 39 39 GLU HA H 1 5.37 0.015 . 1 . . . . . . . . 4952 1 293 . 1 1 39 39 GLU HB2 H 1 1.93 0.015 . 1 . . . . . . . . 4952 1 294 . 1 1 39 39 GLU HB3 H 1 1.93 0.015 . 1 . . . . . . . . 4952 1 295 . 1 1 39 39 GLU HG2 H 1 2.11 0.015 . 1 . . . . . . . . 4952 1 296 . 1 1 39 39 GLU HG3 H 1 2.11 0.015 . 1 . . . . . . . . 4952 1 297 . 1 1 39 39 GLU C C 13 172.81 0.15 . 1 . . . . . . . . 4952 1 298 . 1 1 39 39 GLU CA C 13 53.31 0.15 . 1 . . . . . . . . 4952 1 299 . 1 1 39 39 GLU N N 15 122.07 0.2 . 1 . . . . . . . . 4952 1 300 . 1 1 40 40 ARG H H 1 8.42 0.015 . 1 . . . . . . . . 4952 1 301 . 1 1 40 40 ARG HA H 1 4.09 0.015 . 1 . . . . . . . . 4952 1 302 . 1 1 40 40 ARG HB2 H 1 0.94 0.015 . 2 . . . . . . . . 4952 1 303 . 1 1 40 40 ARG HB3 H 1 0.71 0.015 . 2 . . . . . . . . 4952 1 304 . 1 1 40 40 ARG C C 13 170.94 0.15 . 1 . . . . . . . . 4952 1 305 . 1 1 40 40 ARG CA C 13 53.45 0.15 . 1 . . . . . . . . 4952 1 306 . 1 1 40 40 ARG CB C 13 31.55 0.15 . 1 . . . . . . . . 4952 1 307 . 1 1 40 40 ARG N N 15 124.04 0.2 . 1 . . . . . . . . 4952 1 308 . 1 1 41 41 ARG H H 1 8.80 0.015 . 1 . . . . . . . . 4952 1 309 . 1 1 41 41 ARG HA H 1 5.08 0.015 . 1 . . . . . . . . 4952 1 310 . 1 1 41 41 ARG HB2 H 1 1.65 0.015 . 1 . . . . . . . . 4952 1 311 . 1 1 41 41 ARG HB3 H 1 1.40 0.015 . 1 . . . . . . . . 4952 1 312 . 1 1 41 41 ARG C C 13 173.18 0.15 . 1 . . . . . . . . 4952 1 313 . 1 1 41 41 ARG CA C 13 52.65 0.15 . 1 . . . . . . . . 4952 1 314 . 1 1 41 41 ARG CB C 13 29.81 0.15 . 1 . . . . . . . . 4952 1 315 . 1 1 41 41 ARG N N 15 123.03 0.2 . 1 . . . . . . . . 4952 1 316 . 1 1 42 42 PHE H H 1 8.93 0.015 . 1 . . . . . . . . 4952 1 317 . 1 1 42 42 PHE HA H 1 4.68 0.015 . 1 . . . . . . . . 4952 1 318 . 1 1 42 42 PHE HB2 H 1 3.17 0.015 . 2 . . . . . . . . 4952 1 319 . 1 1 42 42 PHE HB3 H 1 2.23 0.015 . 2 . . . . . . . . 4952 1 320 . 1 1 42 42 PHE HD1 H 1 7.09 0.015 . 1 . . . . . . . . 4952 1 321 . 1 1 42 42 PHE HD2 H 1 7.09 0.015 . 1 . . . . . . . . 4952 1 322 . 1 1 42 42 PHE HE1 H 1 6.85 0.015 . 1 . . . . . . . . 4952 1 323 . 1 1 42 42 PHE HE2 H 1 6.85 0.015 . 1 . . . . . . . . 4952 1 324 . 1 1 42 42 PHE HZ H 1 6.57 0.015 . 1 . . . . . . . . 4952 1 325 . 1 1 42 42 PHE C C 13 173.97 0.15 . 1 . . . . . . . . 4952 1 326 . 1 1 42 42 PHE CA C 13 53.88 0.15 . 1 . . . . . . . . 4952 1 327 . 1 1 42 42 PHE CB C 13 41.37 0.15 . 1 . . . . . . . . 4952 1 328 . 1 1 42 42 PHE N N 15 117.82 0.2 . 1 . . . . . . . . 4952 1 329 . 1 1 43 43 LEU H H 1 8.50 0.015 . 1 . . . . . . . . 4952 1 330 . 1 1 43 43 LEU HA H 1 4.45 0.015 . 1 . . . . . . . . 4952 1 331 . 1 1 43 43 LEU HB2 H 1 1.65 0.015 . 1 . . . . . . . . 4952 1 332 . 1 1 43 43 LEU HB3 H 1 1.65 0.015 . 1 . . . . . . . . 4952 1 333 . 1 1 43 43 LEU C C 13 176.37 0.15 . 1 . . . . . . . . 4952 1 334 . 1 1 43 43 LEU CA C 13 53.99 0.15 . 1 . . . . . . . . 4952 1 335 . 1 1 43 43 LEU CB C 13 39.15 0.15 . 1 . . . . . . . . 4952 1 336 . 1 1 43 43 LEU N N 15 123.01 0.2 . 1 . . . . . . . . 4952 1 337 . 1 1 44 44 ALA H H 1 8.64 0.015 . 1 . . . . . . . . 4952 1 338 . 1 1 44 44 ALA HA H 1 4.07 0.015 . 1 . . . . . . . . 4952 1 339 . 1 1 44 44 ALA HB1 H 1 1.03 0.015 . 1 . . . . . . . . 4952 1 340 . 1 1 44 44 ALA HB2 H 1 1.03 0.015 . 1 . . . . . . . . 4952 1 341 . 1 1 44 44 ALA HB3 H 1 1.03 0.015 . 1 . . . . . . . . 4952 1 342 . 1 1 44 44 ALA C C 13 174.05 0.15 . 1 . . . . . . . . 4952 1 343 . 1 1 44 44 ALA CA C 13 52.05 0.15 . 1 . . . . . . . . 4952 1 344 . 1 1 44 44 ALA CB C 13 16.31 0.15 . 1 . . . . . . . . 4952 1 345 . 1 1 44 44 ALA N N 15 126.61 0.2 . 1 . . . . . . . . 4952 1 346 . 1 1 45 45 SER H H 1 7.80 0.015 . 1 . . . . . . . . 4952 1 347 . 1 1 45 45 SER HA H 1 4.16 0.015 . 1 . . . . . . . . 4952 1 348 . 1 1 45 45 SER HB2 H 1 3.99 0.015 . 2 . . . . . . . . 4952 1 349 . 1 1 45 45 SER HB3 H 1 3.72 0.015 . 2 . . . . . . . . 4952 1 350 . 1 1 45 45 SER C C 13 173.72 0.15 . 1 . . . . . . . . 4952 1 351 . 1 1 45 45 SER CA C 13 55.84 0.15 . 1 . . . . . . . . 4952 1 352 . 1 1 45 45 SER CB C 13 61.54 0.15 . 1 . . . . . . . . 4952 1 353 . 1 1 45 45 SER N N 15 106.5 0.2 . 1 . . . . . . . . 4952 1 354 . 1 1 46 46 ASN H H 1 7.93 0.015 . 1 . . . . . . . . 4952 1 355 . 1 1 46 46 ASN HA H 1 4.46 0.015 . 1 . . . . . . . . 4952 1 356 . 1 1 46 46 ASN HB2 H 1 2.99 0.015 . 2 . . . . . . . . 4952 1 357 . 1 1 46 46 ASN HB3 H 1 2.64 0.015 . 2 . . . . . . . . 4952 1 358 . 1 1 46 46 ASN C C 13 171.78 0.15 . 1 . . . . . . . . 4952 1 359 . 1 1 46 46 ASN CA C 13 51.62 0.15 . 1 . . . . . . . . 4952 1 360 . 1 1 46 46 ASN CB C 13 37.48 0.15 . 1 . . . . . . . . 4952 1 361 . 1 1 46 46 ASN N N 15 121.11 0.2 . 1 . . . . . . . . 4952 1 362 . 1 1 47 47 LYS H H 1 8.01 0.015 . 1 . . . . . . . . 4952 1 363 . 1 1 47 47 LYS HA H 1 4.06 0.015 . 1 . . . . . . . . 4952 1 364 . 1 1 47 47 LYS HB2 H 1 2.21 0.015 . 1 . . . . . . . . 4952 1 365 . 1 1 47 47 LYS HB3 H 1 1.60 0.015 . 1 . . . . . . . . 4952 1 366 . 1 1 47 47 LYS C C 13 175.23 0.15 . 1 . . . . . . . . 4952 1 367 . 1 1 47 47 LYS CA C 13 53.64 0.15 . 1 . . . . . . . . 4952 1 368 . 1 1 47 47 LYS CB C 13 30.68 0.15 . 1 . . . . . . . . 4952 1 369 . 1 1 47 47 LYS N N 15 116.85 0.2 . 1 . . . . . . . . 4952 1 370 . 1 1 48 48 LEU H H 1 8.71 0.015 . 1 . . . . . . . . 4952 1 371 . 1 1 48 48 LEU HA H 1 3.46 0.015 . 1 . . . . . . . . 4952 1 372 . 1 1 48 48 LEU HB2 H 1 1.31 0.015 . 2 . . . . . . . . 4952 1 373 . 1 1 48 48 LEU HB3 H 1 1.12 0.015 . 2 . . . . . . . . 4952 1 374 . 1 1 48 48 LEU C C 13 175.46 0.15 . 1 . . . . . . . . 4952 1 375 . 1 1 48 48 LEU N N 15 123.75 0.2 . 1 . . . . . . . . 4952 1 376 . 1 1 49 49 GLN H H 1 8.31 0.015 . 1 . . . . . . . . 4952 1 377 . 1 1 49 49 GLN HA H 1 3.26 0.015 . 1 . . . . . . . . 4952 1 378 . 1 1 49 49 GLN HB2 H 1 2.11 0.015 . 2 . . . . . . . . 4952 1 379 . 1 1 49 49 GLN HB3 H 1 1.51 0.015 . 2 . . . . . . . . 4952 1 380 . 1 1 49 49 GLN C C 13 174.12 0.15 . 1 . . . . . . . . 4952 1 381 . 1 1 49 49 GLN CA C 13 55.91 0.15 . 1 . . . . . . . . 4952 1 382 . 1 1 49 49 GLN CB C 13 27.32 0.15 . 1 . . . . . . . . 4952 1 383 . 1 1 49 49 GLN N N 15 115.97 0.2 . 1 . . . . . . . . 4952 1 384 . 1 1 50 50 ILE H H 1 7.80 0.015 . 1 . . . . . . . . 4952 1 385 . 1 1 50 50 ILE HA H 1 3.93 0.015 . 1 . . . . . . . . 4952 1 386 . 1 1 50 50 ILE HB H 1 2.02 0.015 . 1 . . . . . . . . 4952 1 387 . 1 1 50 50 ILE HD11 H 1 0.86 0.015 . 1 . . . . . . . . 4952 1 388 . 1 1 50 50 ILE HD12 H 1 0.86 0.015 . 1 . . . . . . . . 4952 1 389 . 1 1 50 50 ILE HD13 H 1 0.86 0.015 . 1 . . . . . . . . 4952 1 390 . 1 1 50 50 ILE C C 13 176.69 0.15 . 1 . . . . . . . . 4952 1 391 . 1 1 50 50 ILE CA C 13 61.32 0.15 . 1 . . . . . . . . 4952 1 392 . 1 1 50 50 ILE CB C 13 34.38 0.15 . 1 . . . . . . . . 4952 1 393 . 1 1 50 50 ILE CD1 C 13 9.54 0.15 . 1 . . . . . . . . 4952 1 394 . 1 1 50 50 ILE N N 15 116.0 0.2 . 1 . . . . . . . . 4952 1 395 . 1 1 51 51 VAL H H 1 7.18 0.015 . 1 . . . . . . . . 4952 1 396 . 1 1 51 51 VAL HA H 1 3.37 0.015 . 1 . . . . . . . . 4952 1 397 . 1 1 51 51 VAL HB H 1 1.87 0.015 . 1 . . . . . . . . 4952 1 398 . 1 1 51 51 VAL HG11 H 1 0.55 0.015 . 2 . . . . . . . . 4952 1 399 . 1 1 51 51 VAL HG12 H 1 0.55 0.015 . 2 . . . . . . . . 4952 1 400 . 1 1 51 51 VAL HG13 H 1 0.55 0.015 . 2 . . . . . . . . 4952 1 401 . 1 1 51 51 VAL HG21 H 1 -0.04 0.015 . 2 . . . . . . . . 4952 1 402 . 1 1 51 51 VAL HG22 H 1 -0.04 0.015 . 2 . . . . . . . . 4952 1 403 . 1 1 51 51 VAL HG23 H 1 -0.04 0.015 . 2 . . . . . . . . 4952 1 404 . 1 1 51 51 VAL C C 13 176.26 0.15 . 1 . . . . . . . . 4952 1 405 . 1 1 51 51 VAL CA C 13 63.68 0.15 . 1 . . . . . . . . 4952 1 406 . 1 1 51 51 VAL CB C 13 28.52 0.15 . 1 . . . . . . . . 4952 1 407 . 1 1 51 51 VAL N N 15 120.83 0.2 . 1 . . . . . . . . 4952 1 408 . 1 1 52 52 PHE H H 1 7.27 0.015 . 1 . . . . . . . . 4952 1 409 . 1 1 52 52 PHE HA H 1 4.54 0.015 . 1 . . . . . . . . 4952 1 410 . 1 1 52 52 PHE HB2 H 1 3.14 0.015 . 2 . . . . . . . . 4952 1 411 . 1 1 52 52 PHE HB3 H 1 3.13 0.015 . 2 . . . . . . . . 4952 1 412 . 1 1 52 52 PHE HD1 H 1 6.63 0.015 . 1 . . . . . . . . 4952 1 413 . 1 1 52 52 PHE HD2 H 1 6.63 0.015 . 1 . . . . . . . . 4952 1 414 . 1 1 52 52 PHE HE1 H 1 6.95 0.015 . 1 . . . . . . . . 4952 1 415 . 1 1 52 52 PHE HE2 H 1 6.95 0.015 . 1 . . . . . . . . 4952 1 416 . 1 1 52 52 PHE HZ H 1 7.44 0.015 . 1 . . . . . . . . 4952 1 417 . 1 1 52 52 PHE C C 13 177.14 0.15 . 1 . . . . . . . . 4952 1 418 . 1 1 52 52 PHE CA C 13 55.29 0.15 . 1 . . . . . . . . 4952 1 419 . 1 1 52 52 PHE CB C 13 33.29 0.15 . 1 . . . . . . . . 4952 1 420 . 1 1 52 52 PHE N N 15 119.67 0.2 . 1 . . . . . . . . 4952 1 421 . 1 1 53 53 ASP H H 1 9.15 0.015 . 1 . . . . . . . . 4952 1 422 . 1 1 53 53 ASP HA H 1 4.50 0.015 . 1 . . . . . . . . 4952 1 423 . 1 1 53 53 ASP HB2 H 1 2.95 0.015 . 2 . . . . . . . . 4952 1 424 . 1 1 53 53 ASP HB3 H 1 2.72 0.015 . 2 . . . . . . . . 4952 1 425 . 1 1 53 53 ASP C C 13 177.14 0.15 . 1 . . . . . . . . 4952 1 426 . 1 1 53 53 ASP CA C 13 55.45 0.15 . 1 . . . . . . . . 4952 1 427 . 1 1 53 53 ASP CB C 13 37.88 0.15 . 1 . . . . . . . . 4952 1 428 . 1 1 53 53 ASP N N 15 122.37 0.2 . 1 . . . . . . . . 4952 1 429 . 1 1 54 54 PHE H H 1 8.57 0.015 . 1 . . . . . . . . 4952 1 430 . 1 1 54 54 PHE HA H 1 4.47 0.015 . 1 . . . . . . . . 4952 1 431 . 1 1 54 54 PHE HB2 H 1 3.53 0.015 . 1 . . . . . . . . 4952 1 432 . 1 1 54 54 PHE HB3 H 1 3.53 0.015 . 1 . . . . . . . . 4952 1 433 . 1 1 54 54 PHE C C 13 176.51 0.15 . 1 . . . . . . . . 4952 1 434 . 1 1 54 54 PHE CA C 13 58.64 0.15 . 1 . . . . . . . . 4952 1 435 . 1 1 54 54 PHE CB C 13 36.52 0.15 . 1 . . . . . . . . 4952 1 436 . 1 1 54 54 PHE N N 15 121.62 0.2 . 1 . . . . . . . . 4952 1 437 . 1 1 55 55 VAL H H 1 8.66 0.015 . 1 . . . . . . . . 4952 1 438 . 1 1 55 55 VAL HA H 1 3.36 0.015 . 1 . . . . . . . . 4952 1 439 . 1 1 55 55 VAL HB H 1 2.37 0.015 . 1 . . . . . . . . 4952 1 440 . 1 1 55 55 VAL HG11 H 1 1.31 0.015 . 2 . . . . . . . . 4952 1 441 . 1 1 55 55 VAL HG12 H 1 1.31 0.015 . 2 . . . . . . . . 4952 1 442 . 1 1 55 55 VAL HG13 H 1 1.31 0.015 . 2 . . . . . . . . 4952 1 443 . 1 1 55 55 VAL HG21 H 1 1.06 0.015 . 2 . . . . . . . . 4952 1 444 . 1 1 55 55 VAL HG22 H 1 1.06 0.015 . 2 . . . . . . . . 4952 1 445 . 1 1 55 55 VAL HG23 H 1 1.06 0.015 . 2 . . . . . . . . 4952 1 446 . 1 1 55 55 VAL C C 13 174.57 0.15 . 1 . . . . . . . . 4952 1 447 . 1 1 55 55 VAL CA C 13 64.87 0.15 . 1 . . . . . . . . 4952 1 448 . 1 1 55 55 VAL CB C 13 29.66 0.15 . 1 . . . . . . . . 4952 1 449 . 1 1 55 55 VAL N N 15 116.89 0.2 . 1 . . . . . . . . 4952 1 450 . 1 1 56 56 ALA H H 1 8.54 0.015 . 1 . . . . . . . . 4952 1 451 . 1 1 56 56 ALA HA H 1 3.75 0.015 . 1 . . . . . . . . 4952 1 452 . 1 1 56 56 ALA HB1 H 1 1.68 0.015 . 1 . . . . . . . . 4952 1 453 . 1 1 56 56 ALA HB2 H 1 1.68 0.015 . 1 . . . . . . . . 4952 1 454 . 1 1 56 56 ALA HB3 H 1 1.68 0.015 . 1 . . . . . . . . 4952 1 455 . 1 1 56 56 ALA C C 13 180.02 0.15 . 1 . . . . . . . . 4952 1 456 . 1 1 56 56 ALA CA C 13 53.65 0.15 . 1 . . . . . . . . 4952 1 457 . 1 1 56 56 ALA CB C 13 16.16 0.15 . 1 . . . . . . . . 4952 1 458 . 1 1 56 56 ALA N N 15 123.50 0.2 . 1 . . . . . . . . 4952 1 459 . 1 1 57 57 SER H H 1 8.45 0.015 . 1 . . . . . . . . 4952 1 460 . 1 1 57 57 SER HA H 1 4.20 0.015 . 1 . . . . . . . . 4952 1 461 . 1 1 57 57 SER HB2 H 1 3.95 0.015 . 1 . . . . . . . . 4952 1 462 . 1 1 57 57 SER HB3 H 1 3.95 0.015 . 1 . . . . . . . . 4952 1 463 . 1 1 57 57 SER C C 13 172.51 0.15 . 1 . . . . . . . . 4952 1 464 . 1 1 57 57 SER CA C 13 59.95 0.15 . 1 . . . . . . . . 4952 1 465 . 1 1 57 57 SER CB C 13 59.95 0.15 . 1 . . . . . . . . 4952 1 466 . 1 1 57 57 SER N N 15 117.09 0.2 . 1 . . . . . . . . 4952 1 467 . 1 1 58 58 LYS H H 1 6.95 0.015 . 1 . . . . . . . . 4952 1 468 . 1 1 58 58 LYS HA H 1 4.32 0.015 . 1 . . . . . . . . 4952 1 469 . 1 1 58 58 LYS HB2 H 1 2.01 0.015 . 2 . . . . . . . . 4952 1 470 . 1 1 58 58 LYS HB3 H 1 1.67 0.015 . 2 . . . . . . . . 4952 1 471 . 1 1 58 58 LYS C C 13 173.23 0.15 . 1 . . . . . . . . 4952 1 472 . 1 1 58 58 LYS CA C 13 51.40 0.15 . 1 . . . . . . . . 4952 1 473 . 1 1 58 58 LYS CB C 13 29.32 0.15 . 1 . . . . . . . . 4952 1 474 . 1 1 58 58 LYS N N 15 119.23 0.2 . 1 . . . . . . . . 4952 1 475 . 1 1 59 59 GLY H H 1 7.58 0.015 . 1 . . . . . . . . 4952 1 476 . 1 1 59 59 GLY HA2 H 1 3.77 0.015 . 2 . . . . . . . . 4952 1 477 . 1 1 59 59 GLY HA3 H 1 3.35 0.015 . 2 . . . . . . . . 4952 1 478 . 1 1 59 59 GLY C C 13 171.00 0.15 . 1 . . . . . . . . 4952 1 479 . 1 1 59 59 GLY CA C 13 42.30 0.15 . 1 . . . . . . . . 4952 1 480 . 1 1 59 59 GLY N N 15 104.31 0.2 . 1 . . . . . . . . 4952 1 481 . 1 1 60 60 PHE H H 1 7.52 0.015 . 1 . . . . . . . . 4952 1 482 . 1 1 60 60 PHE HA H 1 4.76 0.015 . 1 . . . . . . . . 4952 1 483 . 1 1 60 60 PHE HB2 H 1 2.42 0.015 . 2 . . . . . . . . 4952 1 484 . 1 1 60 60 PHE HB3 H 1 1.99 0.015 . 2 . . . . . . . . 4952 1 485 . 1 1 60 60 PHE HD1 H 1 6.08 0.015 . 1 . . . . . . . . 4952 1 486 . 1 1 60 60 PHE HD2 H 1 6.08 0.015 . 1 . . . . . . . . 4952 1 487 . 1 1 60 60 PHE CA C 13 52.47 0.15 . 1 . . . . . . . . 4952 1 488 . 1 1 60 60 PHE CD1 C 13 130.13 0.15 . 1 . . . . . . . . 4952 1 489 . 1 1 60 60 PHE CD2 C 13 130.13 0.15 . 1 . . . . . . . . 4952 1 490 . 1 1 60 60 PHE CE1 C 13 128.73 0.15 . 1 . . . . . . . . 4952 1 491 . 1 1 60 60 PHE CE2 C 13 128.73 0.15 . 1 . . . . . . . . 4952 1 492 . 1 1 60 60 PHE N N 15 118.75 0.2 . 1 . . . . . . . . 4952 1 493 . 1 1 62 62 TRP HA H 1 4.44 0.015 . 1 . . . . . . . . 4952 1 494 . 1 1 62 62 TRP HB2 H 1 3.05 0.015 . 1 . . . . . . . . 4952 1 495 . 1 1 62 62 TRP HB3 H 1 3.05 0.015 . 1 . . . . . . . . 4952 1 496 . 1 1 62 62 TRP HD1 H 1 6.91 0.015 . 1 . . . . . . . . 4952 1 497 . 1 1 62 62 TRP HE1 H 1 9.92 0.015 . 1 . . . . . . . . 4952 1 498 . 1 1 62 62 TRP HE3 H 1 7.42 0.015 . 1 . . . . . . . . 4952 1 499 . 1 1 62 62 TRP HZ2 H 1 7.55 0.015 . 1 . . . . . . . . 4952 1 500 . 1 1 62 62 TRP HZ3 H 1 6.97 0.015 . 1 . . . . . . . . 4952 1 501 . 1 1 62 62 TRP HH2 H 1 7.19 0.015 . 1 . . . . . . . . 4952 1 502 . 1 1 62 62 TRP C C 13 173.58 0.15 . 1 . . . . . . . . 4952 1 503 . 1 1 62 62 TRP CA C 13 57.69 0.15 . 1 . . . . . . . . 4952 1 504 . 1 1 62 62 TRP CB C 13 26.19 0.15 . 1 . . . . . . . . 4952 1 505 . 1 1 62 62 TRP CD1 C 13 125.08 0.15 . 1 . . . . . . . . 4952 1 506 . 1 1 62 62 TRP CE3 C 13 118.80 0.15 . 1 . . . . . . . . 4952 1 507 . 1 1 62 62 TRP CZ2 C 13 112.49 0.15 . 1 . . . . . . . . 4952 1 508 . 1 1 62 62 TRP CZ3 C 13 120.00 0.15 . 1 . . . . . . . . 4952 1 509 . 1 1 62 62 TRP CH2 C 13 122.58 0.15 . 1 . . . . . . . . 4952 1 510 . 1 1 62 62 TRP NE1 N 15 129.16 0.2 . 1 . . . . . . . . 4952 1 511 . 1 1 63 63 ASP H H 1 8.08 0.015 . 1 . . . . . . . . 4952 1 512 . 1 1 63 63 ASP HA H 1 4.13 0.015 . 1 . . . . . . . . 4952 1 513 . 1 1 63 63 ASP HB2 H 1 2.44 0.015 . 1 . . . . . . . . 4952 1 514 . 1 1 63 63 ASP HB3 H 1 2.15 0.015 . 1 . . . . . . . . 4952 1 515 . 1 1 63 63 ASP C C 13 174.36 0.15 . 1 . . . . . . . . 4952 1 516 . 1 1 63 63 ASP CA C 13 52.50 0.15 . 1 . . . . . . . . 4952 1 517 . 1 1 63 63 ASP N N 15 114.60 0.2 . 1 . . . . . . . . 4952 1 518 . 1 1 64 64 GLU H H 1 7.63 0.015 . 1 . . . . . . . . 4952 1 519 . 1 1 64 64 GLU HA H 1 4.23 0.015 . 1 . . . . . . . . 4952 1 520 . 1 1 64 64 GLU HB2 H 1 1.83 0.015 . 1 . . . . . . . . 4952 1 521 . 1 1 64 64 GLU HB3 H 1 1.83 0.015 . 1 . . . . . . . . 4952 1 522 . 1 1 64 64 GLU HG2 H 1 2.00 0.015 . 1 . . . . . . . . 4952 1 523 . 1 1 64 64 GLU HG3 H 1 2.00 0.015 . 1 . . . . . . . . 4952 1 524 . 1 1 64 64 GLU C C 13 173.42 0.15 . 1 . . . . . . . . 4952 1 525 . 1 1 64 64 GLU CA C 13 54.30 0.15 . 1 . . . . . . . . 4952 1 526 . 1 1 64 64 GLU CB C 13 31.24 0.15 . 1 . . . . . . . . 4952 1 527 . 1 1 64 64 GLU N N 15 116.35 0.2 . 1 . . . . . . . . 4952 1 528 . 1 1 65 65 TYR H H 1 7.66 0.015 . 1 . . . . . . . . 4952 1 529 . 1 1 65 65 TYR HA H 1 4.74 0.015 . 1 . . . . . . . . 4952 1 530 . 1 1 65 65 TYR HB2 H 1 2.80 0.015 . 2 . . . . . . . . 4952 1 531 . 1 1 65 65 TYR HB3 H 1 2.35 0.015 . 2 . . . . . . . . 4952 1 532 . 1 1 65 65 TYR HD1 H 1 6.94 0.015 . 1 . . . . . . . . 4952 1 533 . 1 1 65 65 TYR HD2 H 1 6.94 0.015 . 1 . . . . . . . . 4952 1 534 . 1 1 65 65 TYR HE1 H 1 7.00 0.015 . 1 . . . . . . . . 4952 1 535 . 1 1 65 65 TYR HE2 H 1 7.00 0.015 . 1 . . . . . . . . 4952 1 536 . 1 1 65 65 TYR C C 13 172.29 0.15 . 1 . . . . . . . . 4952 1 537 . 1 1 65 65 TYR CA C 13 56.11 0.15 . 1 . . . . . . . . 4952 1 538 . 1 1 65 65 TYR CB C 13 40.24 0.15 . 1 . . . . . . . . 4952 1 539 . 1 1 65 65 TYR CD1 C 13 116.44 0.15 . 1 . . . . . . . . 4952 1 540 . 1 1 65 65 TYR CD2 C 13 116.44 0.15 . 1 . . . . . . . . 4952 1 541 . 1 1 65 65 TYR CE1 C 13 131.17 0.15 . 1 . . . . . . . . 4952 1 542 . 1 1 65 65 TYR CE2 C 13 131.17 0.15 . 1 . . . . . . . . 4952 1 543 . 1 1 65 65 TYR N N 15 117.93 0.2 . 1 . . . . . . . . 4952 1 544 . 1 1 66 66 LYS H H 1 9.12 0.015 . 1 . . . . . . . . 4952 1 545 . 1 1 66 66 LYS HA H 1 4.44 0.015 . 1 . . . . . . . . 4952 1 546 . 1 1 66 66 LYS HB2 H 1 1.54 0.015 . 1 . . . . . . . . 4952 1 547 . 1 1 66 66 LYS HB3 H 1 1.54 0.015 . 1 . . . . . . . . 4952 1 548 . 1 1 66 66 LYS C C 13 172.87 0.15 . 1 . . . . . . . . 4952 1 549 . 1 1 66 66 LYS CA C 13 52.46 0.15 . 1 . . . . . . . . 4952 1 550 . 1 1 66 66 LYS CB C 13 33.18 0.15 . 1 . . . . . . . . 4952 1 551 . 1 1 66 66 LYS N N 15 118.25 0.2 . 1 . . . . . . . . 4952 1 552 . 1 1 67 67 LEU H H 1 7.82 0.015 . 1 . . . . . . . . 4952 1 553 . 1 1 67 67 LEU HA H 1 4.92 0.015 . 1 . . . . . . . . 4952 1 554 . 1 1 67 67 LEU HB2 H 1 1.72 0.015 . 2 . . . . . . . . 4952 1 555 . 1 1 67 67 LEU HB3 H 1 1.35 0.015 . 2 . . . . . . . . 4952 1 556 . 1 1 67 67 LEU C C 13 172.24 0.15 . 1 . . . . . . . . 4952 1 557 . 1 1 67 67 LEU CA C 13 51.26 0.15 . 1 . . . . . . . . 4952 1 558 . 1 1 67 67 LEU CB C 13 43.16 0.15 . 1 . . . . . . . . 4952 1 559 . 1 1 67 67 LEU N N 15 122.45 0.2 . 1 . . . . . . . . 4952 1 560 . 1 1 68 68 LEU H H 1 9.14 0.015 . 1 . . . . . . . . 4952 1 561 . 1 1 68 68 LEU HA H 1 5.38 0.015 . 1 . . . . . . . . 4952 1 562 . 1 1 68 68 LEU HB2 H 1 1.85 0.015 . 2 . . . . . . . . 4952 1 563 . 1 1 68 68 LEU HB3 H 1 1.45 0.015 . 2 . . . . . . . . 4952 1 564 . 1 1 68 68 LEU C C 13 175.45 0.15 . 1 . . . . . . . . 4952 1 565 . 1 1 68 68 LEU CA C 13 51.68 0.15 . 1 . . . . . . . . 4952 1 566 . 1 1 68 68 LEU CB C 13 41.92 0.15 . 1 . . . . . . . . 4952 1 567 . 1 1 68 68 LEU N N 15 125.16 0.2 . 1 . . . . . . . . 4952 1 568 . 1 1 69 69 SER H H 1 8.83 0.015 . 1 . . . . . . . . 4952 1 569 . 1 1 69 69 SER HA H 1 4.91 0.015 . 1 . . . . . . . . 4952 1 570 . 1 1 69 69 SER HB2 H 1 4.44 0.015 . 2 . . . . . . . . 4952 1 571 . 1 1 69 69 SER HB3 H 1 3.58 0.015 . 2 . . . . . . . . 4952 1 572 . 1 1 69 69 SER C C 13 172.08 0.15 . 1 . . . . . . . . 4952 1 573 . 1 1 69 69 SER CA C 13 55.42 0.15 . 1 . . . . . . . . 4952 1 574 . 1 1 69 69 SER CB C 13 63.18 0.15 . 1 . . . . . . . . 4952 1 575 . 1 1 69 69 SER N N 15 115.17 0.2 . 1 . . . . . . . . 4952 1 576 . 1 1 70 70 THR H H 1 8.66 0.015 . 1 . . . . . . . . 4952 1 577 . 1 1 70 70 THR HA H 1 4.23 0.015 . 1 . . . . . . . . 4952 1 578 . 1 1 70 70 THR HB H 1 4.23 0.015 . 1 . . . . . . . . 4952 1 579 . 1 1 70 70 THR HG21 H 1 1.15 0.015 . 1 . . . . . . . . 4952 1 580 . 1 1 70 70 THR HG22 H 1 1.15 0.015 . 1 . . . . . . . . 4952 1 581 . 1 1 70 70 THR HG23 H 1 1.15 0.015 . 1 . . . . . . . . 4952 1 582 . 1 1 70 70 THR C C 13 172.49 0.15 . 1 . . . . . . . . 4952 1 583 . 1 1 70 70 THR CA C 13 62.69 0.15 . 1 . . . . . . . . 4952 1 584 . 1 1 70 70 THR CB C 13 67.68 0.15 . 1 . . . . . . . . 4952 1 585 . 1 1 70 70 THR CG2 C 13 19.76 0.15 . 1 . . . . . . . . 4952 1 586 . 1 1 70 70 THR N N 15 113.65 0.2 . 1 . . . . . . . . 4952 1 587 . 1 1 71 71 PHE H H 1 8.34 0.015 . 1 . . . . . . . . 4952 1 588 . 1 1 71 71 PHE HA H 1 4.59 0.015 . 1 . . . . . . . . 4952 1 589 . 1 1 71 71 PHE HB2 H 1 3.03 0.015 . 1 . . . . . . . . 4952 1 590 . 1 1 71 71 PHE HB3 H 1 3.03 0.015 . 1 . . . . . . . . 4952 1 591 . 1 1 71 71 PHE CA C 13 54.48 0.15 . 1 . . . . . . . . 4952 1 592 . 1 1 71 71 PHE N N 15 119.59 0.2 . 1 . . . . . . . . 4952 1 593 . 1 1 73 73 ARG HA H 1 4.21 0.015 . 1 . . . . . . . . 4952 1 594 . 1 1 73 73 ARG HB2 H 1 1.73 0.015 . 1 . . . . . . . . 4952 1 595 . 1 1 73 73 ARG HB3 H 1 1.73 0.015 . 1 . . . . . . . . 4952 1 596 . 1 1 73 73 ARG C C 13 173.53 0.15 . 1 . . . . . . . . 4952 1 597 . 1 1 73 73 ARG CA C 13 54.42 0.15 . 1 . . . . . . . . 4952 1 598 . 1 1 73 73 ARG CB C 13 27.34 0.15 . 1 . . . . . . . . 4952 1 599 . 1 1 74 74 ARG H H 1 7.85 0.015 . 1 . . . . . . . . 4952 1 600 . 1 1 74 74 ARG HA H 1 4.51 0.015 . 1 . . . . . . . . 4952 1 601 . 1 1 74 74 ARG HB2 H 1 1.74 0.015 . 1 . . . . . . . . 4952 1 602 . 1 1 74 74 ARG HB3 H 1 1.74 0.015 . 1 . . . . . . . . 4952 1 603 . 1 1 74 74 ARG C C 13 171.50 0.15 . 1 . . . . . . . . 4952 1 604 . 1 1 74 74 ARG CA C 13 52.39 0.15 . 1 . . . . . . . . 4952 1 605 . 1 1 74 74 ARG CB C 13 30.22 0.15 . 1 . . . . . . . . 4952 1 606 . 1 1 74 74 ARG N N 15 124.42 0.2 . 1 . . . . . . . . 4952 1 607 . 1 1 75 75 ASP H H 1 8.40 0.015 . 1 . . . . . . . . 4952 1 608 . 1 1 75 75 ASP HA H 1 4.95 0.015 . 1 . . . . . . . . 4952 1 609 . 1 1 75 75 ASP HB2 H 1 2.86 0.015 . 2 . . . . . . . . 4952 1 610 . 1 1 75 75 ASP HB3 H 1 2.36 0.015 . 2 . . . . . . . . 4952 1 611 . 1 1 75 75 ASP C C 13 175.90 0.15 . 1 . . . . . . . . 4952 1 612 . 1 1 75 75 ASP CA C 13 50.57 0.15 . 1 . . . . . . . . 4952 1 613 . 1 1 75 75 ASP CB C 13 37.88 0.15 . 1 . . . . . . . . 4952 1 614 . 1 1 75 75 ASP N N 15 124.42 0.2 . 1 . . . . . . . . 4952 1 615 . 1 1 76 76 VAL H H 1 9.42 0.015 . 1 . . . . . . . . 4952 1 616 . 1 1 76 76 VAL HA H 1 3.81 0.015 . 1 . . . . . . . . 4952 1 617 . 1 1 76 76 VAL HB H 1 2.25 0.015 . 1 . . . . . . . . 4952 1 618 . 1 1 76 76 VAL HG11 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 619 . 1 1 76 76 VAL HG12 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 620 . 1 1 76 76 VAL HG13 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 621 . 1 1 76 76 VAL HG21 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 622 . 1 1 76 76 VAL HG22 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 623 . 1 1 76 76 VAL HG23 H 1 1.05 0.015 . 1 . . . . . . . . 4952 1 624 . 1 1 76 76 VAL C C 13 175.16 0.15 . 1 . . . . . . . . 4952 1 625 . 1 1 76 76 VAL CA C 13 62.80 0.15 . 1 . . . . . . . . 4952 1 626 . 1 1 76 76 VAL CB C 13 29.44 0.15 . 1 . . . . . . . . 4952 1 627 . 1 1 76 76 VAL N N 15 126.64 0.2 . 1 . . . . . . . . 4952 1 628 . 1 1 77 77 THR H H 1 8.38 0.015 . 1 . . . . . . . . 4952 1 629 . 1 1 77 77 THR HA H 1 4.24 0.015 . 1 . . . . . . . . 4952 1 630 . 1 1 77 77 THR HB H 1 4.22 0.015 . 1 . . . . . . . . 4952 1 631 . 1 1 77 77 THR HG21 H 1 1.13 0.015 . 1 . . . . . . . . 4952 1 632 . 1 1 77 77 THR HG22 H 1 1.13 0.015 . 1 . . . . . . . . 4952 1 633 . 1 1 77 77 THR HG23 H 1 1.13 0.015 . 1 . . . . . . . . 4952 1 634 . 1 1 77 77 THR C C 13 174.17 0.15 . 1 . . . . . . . . 4952 1 635 . 1 1 77 77 THR CA C 13 61.70 0.15 . 1 . . . . . . . . 4952 1 636 . 1 1 77 77 THR CB C 13 66.84 0.15 . 1 . . . . . . . . 4952 1 637 . 1 1 77 77 THR CG2 C 13 21.50 0.15 . 1 . . . . . . . . 4952 1 638 . 1 1 77 77 THR N N 15 108.51 0.2 . 1 . . . . . . . . 4952 1 639 . 1 1 78 78 GLN H H 1 7.40 0.015 . 1 . . . . . . . . 4952 1 640 . 1 1 78 78 GLN HA H 1 4.42 0.015 . 1 . . . . . . . . 4952 1 641 . 1 1 78 78 GLN HB2 H 1 2.39 0.015 . 2 . . . . . . . . 4952 1 642 . 1 1 78 78 GLN HB3 H 1 1.87 0.015 . 2 . . . . . . . . 4952 1 643 . 1 1 78 78 GLN HG2 H 1 2.23 0.015 . 1 . . . . . . . . 4952 1 644 . 1 1 78 78 GLN HG3 H 1 2.23 0.015 . 1 . . . . . . . . 4952 1 645 . 1 1 78 78 GLN C C 13 174.20 0.15 . 1 . . . . . . . . 4952 1 646 . 1 1 78 78 GLN CA C 13 53.23 0.15 . 1 . . . . . . . . 4952 1 647 . 1 1 78 78 GLN CB C 13 26.88 0.15 . 1 . . . . . . . . 4952 1 648 . 1 1 78 78 GLN N N 15 117.61 0.2 . 1 . . . . . . . . 4952 1 649 . 1 1 79 79 LEU H H 1 7.36 0.015 . 1 . . . . . . . . 4952 1 650 . 1 1 79 79 LEU HA H 1 4.37 0.015 . 1 . . . . . . . . 4952 1 651 . 1 1 79 79 LEU HB2 H 1 1.99 0.015 . 2 . . . . . . . . 4952 1 652 . 1 1 79 79 LEU HB3 H 1 1.23 0.015 . 2 . . . . . . . . 4952 1 653 . 1 1 79 79 LEU C C 13 173.23 0.15 . 1 . . . . . . . . 4952 1 654 . 1 1 79 79 LEU CA C 13 51.76 0.15 . 1 . . . . . . . . 4952 1 655 . 1 1 79 79 LEU CB C 13 40.14 0.15 . 1 . . . . . . . . 4952 1 656 . 1 1 79 79 LEU N N 15 120.04 0.2 . 1 . . . . . . . . 4952 1 657 . 1 1 80 80 ASP H H 1 7.84 0.015 . 1 . . . . . . . . 4952 1 658 . 1 1 80 80 ASP HA H 1 4.58 0.015 . 1 . . . . . . . . 4952 1 659 . 1 1 80 80 ASP HB2 H 1 2.63 0.015 . 1 . . . . . . . . 4952 1 660 . 1 1 80 80 ASP HB3 H 1 2.63 0.015 . 1 . . . . . . . . 4952 1 661 . 1 1 80 80 ASP CA C 13 49.39 0.15 . 1 . . . . . . . . 4952 1 662 . 1 1 80 80 ASP N N 15 120.44 0.2 . 1 . . . . . . . . 4952 1 663 . 1 1 81 81 PRO HA H 1 3.96 0.015 . 1 . . . . . . . . 4952 1 664 . 1 1 81 81 PRO HB2 H 1 1.93 0.015 . 1 . . . . . . . . 4952 1 665 . 1 1 81 81 PRO HB3 H 1 1.93 0.015 . 1 . . . . . . . . 4952 1 666 . 1 1 81 81 PRO C C 13 174.17 0.15 . 1 . . . . . . . . 4952 1 667 . 1 1 81 81 PRO CA C 13 61.33 0.15 . 1 . . . . . . . . 4952 1 668 . 1 1 81 81 PRO CB C 13 29.87 0.15 . 1 . . . . . . . . 4952 1 669 . 1 1 82 82 ASN H H 1 8.45 0.015 . 1 . . . . . . . . 4952 1 670 . 1 1 82 82 ASN HA H 1 4.56 0.015 . 1 . . . . . . . . 4952 1 671 . 1 1 82 82 ASN HB2 H 1 2.72 0.015 . 1 . . . . . . . . 4952 1 672 . 1 1 82 82 ASN HB3 H 1 2.72 0.015 . 1 . . . . . . . . 4952 1 673 . 1 1 82 82 ASN C C 13 174.28 0.15 . 1 . . . . . . . . 4952 1 674 . 1 1 82 82 ASN CA C 13 51.54 0.15 . 1 . . . . . . . . 4952 1 675 . 1 1 82 82 ASN CB C 13 37.34 0.15 . 1 . . . . . . . . 4952 1 676 . 1 1 82 82 ASN N N 15 113.29 0.2 . 1 . . . . . . . . 4952 1 677 . 1 1 83 83 LYS H H 1 7.52 0.015 . 1 . . . . . . . . 4952 1 678 . 1 1 83 83 LYS HA H 1 4.25 0.015 . 1 . . . . . . . . 4952 1 679 . 1 1 83 83 LYS HB2 H 1 1.66 0.015 . 1 . . . . . . . . 4952 1 680 . 1 1 83 83 LYS HB3 H 1 1.66 0.015 . 1 . . . . . . . . 4952 1 681 . 1 1 83 83 LYS C C 13 173.18 0.15 . 1 . . . . . . . . 4952 1 682 . 1 1 83 83 LYS CA C 13 53.90 0.15 . 1 . . . . . . . . 4952 1 683 . 1 1 83 83 LYS CB C 13 32.30 0.15 . 1 . . . . . . . . 4952 1 684 . 1 1 83 83 LYS N N 15 120.80 0.2 . 1 . . . . . . . . 4952 1 685 . 1 1 84 84 SER H H 1 8.80 0.015 . 1 . . . . . . . . 4952 1 686 . 1 1 84 84 SER HA H 1 4.84 0.015 . 1 . . . . . . . . 4952 1 687 . 1 1 84 84 SER HB2 H 1 4.22 0.015 . 1 . . . . . . . . 4952 1 688 . 1 1 84 84 SER HB3 H 1 3.77 0.015 . 1 . . . . . . . . 4952 1 689 . 1 1 84 84 SER C C 13 173.18 0.15 . 1 . . . . . . . . 4952 1 690 . 1 1 84 84 SER CA C 13 54.59 0.15 . 1 . . . . . . . . 4952 1 691 . 1 1 84 84 SER CB C 13 64.05 0.15 . 1 . . . . . . . . 4952 1 692 . 1 1 84 84 SER N N 15 115.65 0.2 . 1 . . . . . . . . 4952 1 693 . 1 1 85 85 LEU H H 1 7.92 0.015 . 1 . . . . . . . . 4952 1 694 . 1 1 85 85 LEU HA H 1 3.79 0.015 . 1 . . . . . . . . 4952 1 695 . 1 1 85 85 LEU HB2 H 1 1.98 0.015 . 2 . . . . . . . . 4952 1 696 . 1 1 85 85 LEU HB3 H 1 1.52 0.015 . 2 . . . . . . . . 4952 1 697 . 1 1 85 85 LEU C C 13 177.78 0.15 . 1 . . . . . . . . 4952 1 698 . 1 1 85 85 LEU CA C 13 56.35 0.15 . 1 . . . . . . . . 4952 1 699 . 1 1 85 85 LEU CB C 13 37.18 0.15 . 1 . . . . . . . . 4952 1 700 . 1 1 85 85 LEU N N 15 118.34 0.2 . 1 . . . . . . . . 4952 1 701 . 1 1 86 86 LEU H H 1 7.76 0.015 . 1 . . . . . . . . 4952 1 702 . 1 1 86 86 LEU HA H 1 3.68 0.015 . 1 . . . . . . . . 4952 1 703 . 1 1 86 86 LEU HB2 H 1 2.01 0.015 . 1 . . . . . . . . 4952 1 704 . 1 1 86 86 LEU HB3 H 1 2.01 0.015 . 1 . . . . . . . . 4952 1 705 . 1 1 86 86 LEU HG H 1 1.34 0.015 . 1 . . . . . . . . 4952 1 706 . 1 1 86 86 LEU HD11 H 1 1.16 0.015 . 1 . . . . . . . . 4952 1 707 . 1 1 86 86 LEU HD12 H 1 1.16 0.015 . 1 . . . . . . . . 4952 1 708 . 1 1 86 86 LEU HD13 H 1 1.16 0.015 . 1 . . . . . . . . 4952 1 709 . 1 1 86 86 LEU HD21 H 1 0.29 0.015 . 1 . . . . . . . . 4952 1 710 . 1 1 86 86 LEU HD22 H 1 0.29 0.015 . 1 . . . . . . . . 4952 1 711 . 1 1 86 86 LEU HD23 H 1 0.29 0.015 . 1 . . . . . . . . 4952 1 712 . 1 1 86 86 LEU C C 13 178.52 0.15 . 1 . . . . . . . . 4952 1 713 . 1 1 86 86 LEU CA C 13 56.12 0.15 . 1 . . . . . . . . 4952 1 714 . 1 1 86 86 LEU CB C 13 40.14 0.15 . 1 . . . . . . . . 4952 1 715 . 1 1 86 86 LEU CD1 C 13 24.41 0.15 . 1 . . . . . . . . 4952 1 716 . 1 1 86 86 LEU CD2 C 13 22.06 0.15 . 1 . . . . . . . . 4952 1 717 . 1 1 86 86 LEU N N 15 117.04 0.2 . 1 . . . . . . . . 4952 1 718 . 1 1 87 87 GLU H H 1 7.84 0.015 . 1 . . . . . . . . 4952 1 719 . 1 1 87 87 GLU HA H 1 3.90 0.015 . 1 . . . . . . . . 4952 1 720 . 1 1 87 87 GLU HB2 H 1 2.33 0.015 . 2 . . . . . . . . 4952 1 721 . 1 1 87 87 GLU HB3 H 1 1.97 0.015 . 2 . . . . . . . . 4952 1 722 . 1 1 87 87 GLU C C 13 176.90 0.15 . 1 . . . . . . . . 4952 1 723 . 1 1 87 87 GLU CA C 13 57.32 0.15 . 1 . . . . . . . . 4952 1 724 . 1 1 87 87 GLU CB C 13 28.04 0.15 . 1 . . . . . . . . 4952 1 725 . 1 1 87 87 GLU N N 15 120.44 0.2 . 1 . . . . . . . . 4952 1 726 . 1 1 88 88 VAL H H 1 7.65 0.015 . 1 . . . . . . . . 4952 1 727 . 1 1 88 88 VAL HA H 1 4.48 0.015 . 1 . . . . . . . . 4952 1 728 . 1 1 88 88 VAL HB H 1 2.46 0.015 . 1 . . . . . . . . 4952 1 729 . 1 1 88 88 VAL HG11 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 730 . 1 1 88 88 VAL HG12 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 731 . 1 1 88 88 VAL HG13 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 732 . 1 1 88 88 VAL HG21 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 733 . 1 1 88 88 VAL HG22 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 734 . 1 1 88 88 VAL HG23 H 1 0.91 0.015 . 1 . . . . . . . . 4952 1 735 . 1 1 88 88 VAL C C 13 172.07 0.15 . 1 . . . . . . . . 4952 1 736 . 1 1 88 88 VAL CA C 13 58.74 0.15 . 1 . . . . . . . . 4952 1 737 . 1 1 88 88 VAL CB C 13 28.14 0.15 . 1 . . . . . . . . 4952 1 738 . 1 1 88 88 VAL N N 15 109.15 0.2 . 1 . . . . . . . . 4952 1 739 . 1 1 89 89 LYS H H 1 7.67 0.015 . 1 . . . . . . . . 4952 1 740 . 1 1 89 89 LYS HA H 1 3.88 0.015 . 1 . . . . . . . . 4952 1 741 . 1 1 89 89 LYS HB2 H 1 2.12 0.015 . 1 . . . . . . . . 4952 1 742 . 1 1 89 89 LYS HB3 H 1 2.12 0.015 . 1 . . . . . . . . 4952 1 743 . 1 1 89 89 LYS C C 13 174.25 0.15 . 1 . . . . . . . . 4952 1 744 . 1 1 89 89 LYS CA C 13 55.75 0.15 . 1 . . . . . . . . 4952 1 745 . 1 1 89 89 LYS CB C 13 26.21 0.15 . 1 . . . . . . . . 4952 1 746 . 1 1 89 89 LYS N N 15 114.91 0.2 . 1 . . . . . . . . 4952 1 747 . 1 1 90 90 LEU H H 1 8.37 0.015 . 1 . . . . . . . . 4952 1 748 . 1 1 90 90 LEU HA H 1 4.58 0.015 . 1 . . . . . . . . 4952 1 749 . 1 1 90 90 LEU HB2 H 1 1.40 0.015 . 1 . . . . . . . . 4952 1 750 . 1 1 90 90 LEU HB3 H 1 1.40 0.015 . 1 . . . . . . . . 4952 1 751 . 1 1 90 90 LEU C C 13 173.07 0.15 . 1 . . . . . . . . 4952 1 752 . 1 1 90 90 LEU CA C 13 49.88 0.15 . 1 . . . . . . . . 4952 1 753 . 1 1 90 90 LEU CB C 13 38.20 0.15 . 1 . . . . . . . . 4952 1 754 . 1 1 90 90 LEU N N 15 122.58 0.2 . 1 . . . . . . . . 4952 1 755 . 1 1 91 91 PHE H H 1 7.27 0.015 . 1 . . . . . . . . 4952 1 756 . 1 1 91 91 PHE HA H 1 4.55 0.015 . 1 . . . . . . . . 4952 1 757 . 1 1 91 91 PHE HB2 H 1 2.99 0.015 . 2 . . . . . . . . 4952 1 758 . 1 1 91 91 PHE HB3 H 1 2.41 0.015 . 2 . . . . . . . . 4952 1 759 . 1 1 91 91 PHE CA C 13 53.39 0.15 . 1 . . . . . . . . 4952 1 760 . 1 1 91 91 PHE N N 15 117.66 0.2 . 1 . . . . . . . . 4952 1 761 . 1 1 92 92 PRO HA H 1 3.87 0.015 . 1 . . . . . . . . 4952 1 762 . 1 1 92 92 PRO HB2 H 1 1.83 0.015 . 2 . . . . . . . . 4952 1 763 . 1 1 92 92 PRO HB3 H 1 1.22 0.015 . 2 . . . . . . . . 4952 1 764 . 1 1 92 92 PRO C C 13 173.47 0.15 . 1 . . . . . . . . 4952 1 765 . 1 1 92 92 PRO CA C 13 62.23 0.15 . 1 . . . . . . . . 4952 1 766 . 1 1 92 92 PRO CB C 13 31.45 0.15 . 1 . . . . . . . . 4952 1 767 . 1 1 93 93 GLN H H 1 7.22 0.015 . 1 . . . . . . . . 4952 1 768 . 1 1 93 93 GLN HA H 1 5.33 0.015 . 1 . . . . . . . . 4952 1 769 . 1 1 93 93 GLN HB2 H 1 2.02 0.015 . 1 . . . . . . . . 4952 1 770 . 1 1 93 93 GLN HB3 H 1 2.02 0.015 . 1 . . . . . . . . 4952 1 771 . 1 1 93 93 GLN HG2 H 1 2.17 0.015 . 1 . . . . . . . . 4952 1 772 . 1 1 93 93 GLN HG3 H 1 2.17 0.015 . 1 . . . . . . . . 4952 1 773 . 1 1 93 93 GLN C C 13 171.58 0.15 . 1 . . . . . . . . 4952 1 774 . 1 1 93 93 GLN CA C 13 52.67 0.15 . 1 . . . . . . . . 4952 1 775 . 1 1 93 93 GLN CB C 13 28.72 0.15 . 1 . . . . . . . . 4952 1 776 . 1 1 93 93 GLN N N 15 119.64 0.2 . 1 . . . . . . . . 4952 1 777 . 1 1 94 94 GLU H H 1 7.82 0.015 . 1 . . . . . . . . 4952 1 778 . 1 1 94 94 GLU HA H 1 4.88 0.015 . 1 . . . . . . . . 4952 1 779 . 1 1 94 94 GLU HB2 H 1 1.90 0.015 . 2 . . . . . . . . 4952 1 780 . 1 1 94 94 GLU HB3 H 1 1.62 0.015 . 2 . . . . . . . . 4952 1 781 . 1 1 94 94 GLU HG2 H 1 2.26 0.015 . 1 . . . . . . . . 4952 1 782 . 1 1 94 94 GLU HG3 H 1 2.26 0.015 . 1 . . . . . . . . 4952 1 783 . 1 1 94 94 GLU C C 13 172.55 0.15 . 1 . . . . . . . . 4952 1 784 . 1 1 94 94 GLU CA C 13 53.23 0.15 . 1 . . . . . . . . 4952 1 785 . 1 1 94 94 GLU CB C 13 32.06 0.15 . 1 . . . . . . . . 4952 1 786 . 1 1 94 94 GLU N N 15 121.38 0.2 . 1 . . . . . . . . 4952 1 787 . 1 1 95 95 THR H H 1 9.06 0.015 . 1 . . . . . . . . 4952 1 788 . 1 1 95 95 THR HA H 1 5.32 0.015 . 1 . . . . . . . . 4952 1 789 . 1 1 95 95 THR HB H 1 3.97 0.015 . 1 . . . . . . . . 4952 1 790 . 1 1 95 95 THR HG21 H 1 1.00 0.015 . 1 . . . . . . . . 4952 1 791 . 1 1 95 95 THR HG22 H 1 1.00 0.015 . 1 . . . . . . . . 4952 1 792 . 1 1 95 95 THR HG23 H 1 1.00 0.015 . 1 . . . . . . . . 4952 1 793 . 1 1 95 95 THR C C 13 171.25 0.15 . 1 . . . . . . . . 4952 1 794 . 1 1 95 95 THR CA C 13 59.57 0.15 . 1 . . . . . . . . 4952 1 795 . 1 1 95 95 THR CB C 13 67.96 0.15 . 1 . . . . . . . . 4952 1 796 . 1 1 95 95 THR CG2 C 13 19.70 0.15 . 1 . . . . . . . . 4952 1 797 . 1 1 95 95 THR N N 15 121.20 0.2 . 1 . . . . . . . . 4952 1 798 . 1 1 96 96 LEU H H 1 9.27 0.015 . 1 . . . . . . . . 4952 1 799 . 1 1 96 96 LEU HA H 1 5.33 0.015 . 1 . . . . . . . . 4952 1 800 . 1 1 96 96 LEU HB2 H 1 1.49 0.015 . 2 . . . . . . . . 4952 1 801 . 1 1 96 96 LEU HB3 H 1 1.37 0.015 . 2 . . . . . . . . 4952 1 802 . 1 1 96 96 LEU C C 13 172.99 0.15 . 1 . . . . . . . . 4952 1 803 . 1 1 96 96 LEU CA C 13 50.38 0.15 . 1 . . . . . . . . 4952 1 804 . 1 1 96 96 LEU CB C 13 43.73 0.15 . 1 . . . . . . . . 4952 1 805 . 1 1 96 96 LEU N N 15 125.63 0.2 . 1 . . . . . . . . 4952 1 806 . 1 1 97 97 PHE H H 1 9.43 0.015 . 1 . . . . . . . . 4952 1 807 . 1 1 97 97 PHE HA H 1 4.82 0.015 . 1 . . . . . . . . 4952 1 808 . 1 1 97 97 PHE HB3 H 1 3.04 0.015 . 1 . . . . . . . . 4952 1 809 . 1 1 97 97 PHE HB2 H 1 2.88 0.015 . 1 . . . . . . . . 4952 1 810 . 1 1 97 97 PHE C C 13 176.92 0.15 . 1 . . . . . . . . 4952 1 811 . 1 1 97 97 PHE CA C 13 54.60 0.15 . 1 . . . . . . . . 4952 1 812 . 1 1 97 97 PHE CB C 13 39.16 0.15 . 1 . . . . . . . . 4952 1 813 . 1 1 97 97 PHE N N 15 118.56 0.2 . 1 . . . . . . . . 4952 1 814 . 1 1 98 98 LEU H H 1 8.02 0.015 . 1 . . . . . . . . 4952 1 815 . 1 1 98 98 LEU HA H 1 5.16 0.015 . 1 . . . . . . . . 4952 1 816 . 1 1 98 98 LEU HB2 H 1 1.55 0.015 . 2 . . . . . . . . 4952 1 817 . 1 1 98 98 LEU HB3 H 1 0.75 0.015 . 2 . . . . . . . . 4952 1 818 . 1 1 98 98 LEU HG H 1 1.10 0.015 . 1 . . . . . . . . 4952 1 819 . 1 1 98 98 LEU HD11 H 1 0.59 0.015 . 2 . . . . . . . . 4952 1 820 . 1 1 98 98 LEU HD12 H 1 0.59 0.015 . 2 . . . . . . . . 4952 1 821 . 1 1 98 98 LEU HD13 H 1 0.59 0.015 . 2 . . . . . . . . 4952 1 822 . 1 1 98 98 LEU HD21 H 1 -0.25 0.015 . 2 . . . . . . . . 4952 1 823 . 1 1 98 98 LEU HD22 H 1 -0.25 0.015 . 2 . . . . . . . . 4952 1 824 . 1 1 98 98 LEU HD23 H 1 -0.25 0.015 . 2 . . . . . . . . 4952 1 825 . 1 1 98 98 LEU C C 13 174.78 0.15 . 1 . . . . . . . . 4952 1 826 . 1 1 98 98 LEU CA C 13 52.26 0.15 . 1 . . . . . . . . 4952 1 827 . 1 1 98 98 LEU CB C 13 42.37 0.15 . 1 . . . . . . . . 4952 1 828 . 1 1 98 98 LEU N N 15 122.50 0.2 . 1 . . . . . . . . 4952 1 829 . 1 1 99 99 GLU H H 1 8.28 0.015 . 1 . . . . . . . . 4952 1 830 . 1 1 99 99 GLU HA H 1 4.63 0.015 . 1 . . . . . . . . 4952 1 831 . 1 1 99 99 GLU HB2 H 1 1.86 0.015 . 2 . . . . . . . . 4952 1 832 . 1 1 99 99 GLU HB3 H 1 1.78 0.015 . 2 . . . . . . . . 4952 1 833 . 1 1 99 99 GLU HG2 H 1 2.16 0.015 . 1 . . . . . . . . 4952 1 834 . 1 1 99 99 GLU HG3 H 1 2.16 0.015 . 1 . . . . . . . . 4952 1 835 . 1 1 99 99 GLU C C 13 172.74 0.15 . 1 . . . . . . . . 4952 1 836 . 1 1 99 99 GLU CA C 13 52.80 0.15 . 1 . . . . . . . . 4952 1 837 . 1 1 99 99 GLU CB C 13 32.30 0.15 . 1 . . . . . . . . 4952 1 838 . 1 1 99 99 GLU N N 15 120.51 0.2 . 1 . . . . . . . . 4952 1 839 . 1 1 100 100 ALA H H 1 9.18 0.015 . 1 . . . . . . . . 4952 1 840 . 1 1 100 100 ALA HA H 1 3.87 0.015 . 1 . . . . . . . . 4952 1 841 . 1 1 100 100 ALA HB1 H 1 1.30 0.015 . 1 . . . . . . . . 4952 1 842 . 1 1 100 100 ALA HB2 H 1 1.30 0.015 . 1 . . . . . . . . 4952 1 843 . 1 1 100 100 ALA HB3 H 1 1.30 0.015 . 1 . . . . . . . . 4952 1 844 . 1 1 100 100 ALA C C 13 175.73 0.15 . 1 . . . . . . . . 4952 1 845 . 1 1 100 100 ALA CA C 13 51.29 0.15 . 1 . . . . . . . . 4952 1 846 . 1 1 100 100 ALA CB C 13 16.41 0.15 . 1 . . . . . . . . 4952 1 847 . 1 1 100 100 ALA N N 15 128.40 0.2 . 1 . . . . . . . . 4952 1 848 . 1 1 101 101 LYS H H 1 7.73 0.015 . 1 . . . . . . . . 4952 1 849 . 1 1 101 101 LYS HA H 1 3.91 0.015 . 1 . . . . . . . . 4952 1 850 . 1 1 101 101 LYS HB2 H 1 1.65 0.015 . 2 . . . . . . . . 4952 1 851 . 1 1 101 101 LYS HB3 H 1 1.25 0.015 . 2 . . . . . . . . 4952 1 852 . 1 1 101 101 LYS C C 13 173.27 0.15 . 1 . . . . . . . . 4952 1 853 . 1 1 101 101 LYS CA C 13 55.46 0.15 . 1 . . . . . . . . 4952 1 854 . 1 1 101 101 LYS CB C 13 30.91 0.15 . 1 . . . . . . . . 4952 1 855 . 1 1 101 101 LYS N N 15 121.31 0.2 . 1 . . . . . . . . 4952 1 856 . 1 1 102 102 GLU H H 1 7.85 0.015 . 1 . . . . . . . . 4952 1 857 . 1 1 102 102 GLU HA H 1 4.01 0.015 . 1 . . . . . . . . 4952 1 858 . 1 1 102 102 GLU HB2 H 1 1.92 0.015 . 2 . . . . . . . . 4952 1 859 . 1 1 102 102 GLU HB3 H 1 1.76 0.015 . 2 . . . . . . . . 4952 1 860 . 1 1 102 102 GLU HG2 H 1 2.06 0.015 . 1 . . . . . . . . 4952 1 861 . 1 1 102 102 GLU HG3 H 1 2.06 0.015 . 1 . . . . . . . . 4952 1 862 . 1 1 102 102 GLU CA C 13 55.72 0.15 . 1 . . . . . . . . 4952 1 863 . 1 1 102 102 GLU N N 15 126.24 0.2 . 1 . . . . . . . . 4952 1 stop_ save_