data_4896 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4896 _Entry.Title ; Sequential Assignment and Secondary Structure of the 14kDa chemotactic Protein CheY2 from Sinorhizobium meliloti ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-08 _Entry.Accession_date 2000-11-08 _Entry.Last_release_date 2001-04-26 _Entry.Original_release_date 2001-04-26 _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 Hubert Riepl . . . 4896 2 Birgit Scharf . . . 4896 3 Ruediger Schmitt . . . 4896 4 'Hans Robert' Kalbitzer . . . 4896 5 Till Maure . . . 4896 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4896 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 453 4896 '13C chemical shifts' 344 4896 '15N chemical shifts' 118 4896 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 . . 2001-04-26 2000-11-08 original author . 4896 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4896 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21228262 _Citation.DOI . _Citation.PubMed_ID 11330820 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequential Assignment and Secondary Structure of the 14 kDa Chemotactic Protein CheY2 from Sinorhizobium meliloti ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 287 _Citation.Page_last 288 _Citation.Year 2001 _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 Hubert Riepl . . . 4896 1 2 Birgit Scharf . . . 4896 1 3 Ruediger Schmitt . . . 4896 1 4 'Hans Robert' Kalbitzer . . . 4896 1 5 Till Maure . . . 4896 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CheY2 4896 1 NMR 4896 1 'Protein Structure' 4896 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CheY2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CheY2 _Assembly.Entry_ID 4896 _Assembly.ID 1 _Assembly.Name 'response-regulator protein CheY2' _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 monomer 4896 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 CheY2 1 $CheY2 . . . native . . . . . 4896 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'response-regulator protein CheY2' system 4896 1 CheY2 abbreviation 4896 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'response-regulator protein' 4896 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CheY2 _Entity.Sf_category entity _Entity.Sf_framecode CheY2 _Entity.Entry_ID 4896 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'response-regulator protein CheY2' _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 ; MSLAEKIKVLIVDDQVTSRL LLGDALQQLGFKQITAAGDG EQGMKIMAQNPHHLVISDFN MPKMDGLGLLQAVRANPATK KAAFIILTAQGDRALVQKAA ALGANNVLAKPFTIEKMKAA IEAVFGALK ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 1P6Q . "Nmr Structure Of The Response Regulator Chey2 From Sinorhizobium Meliloti, Complexed With Mg++" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 2 no PDB 1P6U . "Nmr Structure Of The Bef3-Activated Structure Of The Response Regulator Chey2-Mg2+ From Sinorhizobium Meliloti" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 3 no EMBL CAC45215 . "Response regulators consisting of a CheY-like receiver domain and a winged-helix DNA-binding domain [Sinorhizobium meliloti 102" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 4 no EMBL CCE94800 . "chemotaxis regulator protein CheY-like [Sinorhizobium fredii HH103]" . . . . . 100.00 129 97.67 99.22 1.16e-82 . . . . 4896 1 5 no EMBL CCM66304 . "putative chemotaxis protein CheY [Sinorhizobium meliloti Rm41]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 6 no EMBL CDH84541 . "putative CheY2 [Sinorhizobium meliloti RU11/001]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 7 no GB AAA86678 . "CheY2 [Sinorhizobium meliloti]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 8 no GB ABR59098 . "response regulator receiver protein [Sinorhizobium medicae WSM419]" . . . . . 100.00 129 99.22 100.00 1.28e-83 . . . . 4896 1 9 no GB ACP24056 . "predicted signal transduction response regulator, contains receiver domain [Sinorhizobium fredii NGR234]" . . . . . 100.00 129 97.67 99.22 1.16e-82 . . . . 4896 1 10 no GB AEG03193 . "response regulator receiver protein [Sinorhizobium meliloti BL225C]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 11 no GB AEG52102 . "response regulator receiver protein [Sinorhizobium meliloti AK83]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 12 no REF NP_384749 . "chemotaxis regulator protein [Sinorhizobium meliloti 1021]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 13 no REF WP_003529938 . "MULTISPECIES: chemotaxis protein CheY [Sinorhizobium/Ensifer group]" . . . . . 100.00 129 100.00 100.00 3.31e-84 . . . . 4896 1 14 no REF WP_011974449 . "MULTISPECIES: chemotaxis protein CheY [Sinorhizobium]" . . . . . 100.00 129 99.22 100.00 1.28e-83 . . . . 4896 1 15 no REF WP_012706841 . "MULTISPECIES: chemotaxis protein CheY [Sinorhizobium/Ensifer group]" . . . . . 100.00 129 97.67 99.22 1.16e-82 . . . . 4896 1 16 no REF WP_018324154 . "chemotaxis protein CheY [Rhizobium giardinii]" . . . . . 100.00 129 98.45 98.45 2.36e-82 . . . . 4896 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'response-regulator protein CheY2' common 4896 1 CheY2 abbreviation 4896 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 . MET . 4896 1 2 . SER . 4896 1 3 . LEU . 4896 1 4 . ALA . 4896 1 5 . GLU . 4896 1 6 . LYS . 4896 1 7 . ILE . 4896 1 8 . LYS . 4896 1 9 . VAL . 4896 1 10 . LEU . 4896 1 11 . ILE . 4896 1 12 . VAL . 4896 1 13 . ASP . 4896 1 14 . ASP . 4896 1 15 . GLN . 4896 1 16 . VAL . 4896 1 17 . THR . 4896 1 18 . SER . 4896 1 19 . ARG . 4896 1 20 . LEU . 4896 1 21 . LEU . 4896 1 22 . LEU . 4896 1 23 . GLY . 4896 1 24 . ASP . 4896 1 25 . ALA . 4896 1 26 . LEU . 4896 1 27 . GLN . 4896 1 28 . GLN . 4896 1 29 . LEU . 4896 1 30 . GLY . 4896 1 31 . PHE . 4896 1 32 . LYS . 4896 1 33 . GLN . 4896 1 34 . ILE . 4896 1 35 . THR . 4896 1 36 . ALA . 4896 1 37 . ALA . 4896 1 38 . GLY . 4896 1 39 . ASP . 4896 1 40 . GLY . 4896 1 41 . GLU . 4896 1 42 . GLN . 4896 1 43 . GLY . 4896 1 44 . MET . 4896 1 45 . LYS . 4896 1 46 . ILE . 4896 1 47 . MET . 4896 1 48 . ALA . 4896 1 49 . GLN . 4896 1 50 . ASN . 4896 1 51 . PRO . 4896 1 52 . HIS . 4896 1 53 . HIS . 4896 1 54 . LEU . 4896 1 55 . VAL . 4896 1 56 . ILE . 4896 1 57 . SER . 4896 1 58 . ASP . 4896 1 59 . PHE . 4896 1 60 . ASN . 4896 1 61 . MET . 4896 1 62 . PRO . 4896 1 63 . LYS . 4896 1 64 . MET . 4896 1 65 . ASP . 4896 1 66 . GLY . 4896 1 67 . LEU . 4896 1 68 . GLY . 4896 1 69 . LEU . 4896 1 70 . LEU . 4896 1 71 . GLN . 4896 1 72 . ALA . 4896 1 73 . VAL . 4896 1 74 . ARG . 4896 1 75 . ALA . 4896 1 76 . ASN . 4896 1 77 . PRO . 4896 1 78 . ALA . 4896 1 79 . THR . 4896 1 80 . LYS . 4896 1 81 . LYS . 4896 1 82 . ALA . 4896 1 83 . ALA . 4896 1 84 . PHE . 4896 1 85 . ILE . 4896 1 86 . ILE . 4896 1 87 . LEU . 4896 1 88 . THR . 4896 1 89 . ALA . 4896 1 90 . GLN . 4896 1 91 . GLY . 4896 1 92 . ASP . 4896 1 93 . ARG . 4896 1 94 . ALA . 4896 1 95 . LEU . 4896 1 96 . VAL . 4896 1 97 . GLN . 4896 1 98 . LYS . 4896 1 99 . ALA . 4896 1 100 . ALA . 4896 1 101 . ALA . 4896 1 102 . LEU . 4896 1 103 . GLY . 4896 1 104 . ALA . 4896 1 105 . ASN . 4896 1 106 . ASN . 4896 1 107 . VAL . 4896 1 108 . LEU . 4896 1 109 . ALA . 4896 1 110 . LYS . 4896 1 111 . PRO . 4896 1 112 . PHE . 4896 1 113 . THR . 4896 1 114 . ILE . 4896 1 115 . GLU . 4896 1 116 . LYS . 4896 1 117 . MET . 4896 1 118 . LYS . 4896 1 119 . ALA . 4896 1 120 . ALA . 4896 1 121 . ILE . 4896 1 122 . GLU . 4896 1 123 . ALA . 4896 1 124 . VAL . 4896 1 125 . PHE . 4896 1 126 . GLY . 4896 1 127 . ALA . 4896 1 128 . LEU . 4896 1 129 . LYS . 4896 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4896 1 . SER 2 2 4896 1 . LEU 3 3 4896 1 . ALA 4 4 4896 1 . GLU 5 5 4896 1 . LYS 6 6 4896 1 . ILE 7 7 4896 1 . LYS 8 8 4896 1 . VAL 9 9 4896 1 . LEU 10 10 4896 1 . ILE 11 11 4896 1 . VAL 12 12 4896 1 . ASP 13 13 4896 1 . ASP 14 14 4896 1 . GLN 15 15 4896 1 . VAL 16 16 4896 1 . THR 17 17 4896 1 . SER 18 18 4896 1 . ARG 19 19 4896 1 . LEU 20 20 4896 1 . LEU 21 21 4896 1 . LEU 22 22 4896 1 . GLY 23 23 4896 1 . ASP 24 24 4896 1 . ALA 25 25 4896 1 . LEU 26 26 4896 1 . GLN 27 27 4896 1 . GLN 28 28 4896 1 . LEU 29 29 4896 1 . GLY 30 30 4896 1 . PHE 31 31 4896 1 . LYS 32 32 4896 1 . GLN 33 33 4896 1 . ILE 34 34 4896 1 . THR 35 35 4896 1 . ALA 36 36 4896 1 . ALA 37 37 4896 1 . GLY 38 38 4896 1 . ASP 39 39 4896 1 . GLY 40 40 4896 1 . GLU 41 41 4896 1 . GLN 42 42 4896 1 . GLY 43 43 4896 1 . MET 44 44 4896 1 . LYS 45 45 4896 1 . ILE 46 46 4896 1 . MET 47 47 4896 1 . ALA 48 48 4896 1 . GLN 49 49 4896 1 . ASN 50 50 4896 1 . PRO 51 51 4896 1 . HIS 52 52 4896 1 . HIS 53 53 4896 1 . LEU 54 54 4896 1 . VAL 55 55 4896 1 . ILE 56 56 4896 1 . SER 57 57 4896 1 . ASP 58 58 4896 1 . PHE 59 59 4896 1 . ASN 60 60 4896 1 . MET 61 61 4896 1 . PRO 62 62 4896 1 . LYS 63 63 4896 1 . MET 64 64 4896 1 . ASP 65 65 4896 1 . GLY 66 66 4896 1 . LEU 67 67 4896 1 . GLY 68 68 4896 1 . LEU 69 69 4896 1 . LEU 70 70 4896 1 . GLN 71 71 4896 1 . ALA 72 72 4896 1 . VAL 73 73 4896 1 . ARG 74 74 4896 1 . ALA 75 75 4896 1 . ASN 76 76 4896 1 . PRO 77 77 4896 1 . ALA 78 78 4896 1 . THR 79 79 4896 1 . LYS 80 80 4896 1 . LYS 81 81 4896 1 . ALA 82 82 4896 1 . ALA 83 83 4896 1 . PHE 84 84 4896 1 . ILE 85 85 4896 1 . ILE 86 86 4896 1 . LEU 87 87 4896 1 . THR 88 88 4896 1 . ALA 89 89 4896 1 . GLN 90 90 4896 1 . GLY 91 91 4896 1 . ASP 92 92 4896 1 . ARG 93 93 4896 1 . ALA 94 94 4896 1 . LEU 95 95 4896 1 . VAL 96 96 4896 1 . GLN 97 97 4896 1 . LYS 98 98 4896 1 . ALA 99 99 4896 1 . ALA 100 100 4896 1 . ALA 101 101 4896 1 . LEU 102 102 4896 1 . GLY 103 103 4896 1 . ALA 104 104 4896 1 . ASN 105 105 4896 1 . ASN 106 106 4896 1 . VAL 107 107 4896 1 . LEU 108 108 4896 1 . ALA 109 109 4896 1 . LYS 110 110 4896 1 . PRO 111 111 4896 1 . PHE 112 112 4896 1 . THR 113 113 4896 1 . ILE 114 114 4896 1 . GLU 115 115 4896 1 . LYS 116 116 4896 1 . MET 117 117 4896 1 . LYS 118 118 4896 1 . ALA 119 119 4896 1 . ALA 120 120 4896 1 . ILE 121 121 4896 1 . GLU 122 122 4896 1 . ALA 123 123 4896 1 . VAL 124 124 4896 1 . PHE 125 125 4896 1 . GLY 126 126 4896 1 . ALA 127 127 4896 1 . LEU 128 128 4896 1 . LYS 129 129 4896 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 4896 _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 $CheY2 . 382 . . 'Sinorhizobium meliloti' 'Sinorhizobium meliloti' . . Eubacteria . Sinorhizobium meliloti . . . . . . . . . . . . . . . . . . . . . 4896 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 4896 _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 $CheY2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli ER2566 . . . . . . . . . . . . plasmid . . pTYB1 . . . . . . 4896 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4896 _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 'response-regulator protein CheY2' [U-15N] . . 1 $CheY2 . . 1.0 . . mM . . . . 4896 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 4896 1 3 D2O . . . . . . . 10 . . % . . . . 4896 1 4 'magnesium chloride' . . . . . . . 5 . . mM . . . . 4896 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4896 _Sample.ID 2 _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 'response-regulator protein CheY2' '[U-15N; U-13C]' . . 1 $CheY2 . . 1.0 . . mM . . . . 4896 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 4896 2 3 D2O . . . . . . . 98 . . % . . . . 4896 2 4 'magnesium chloride' . . . . . . . 5 . . mM . . . . 4896 2 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 4896 _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 6.80 0.02 n/a 4896 1 temperature 298 1 K 4896 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4896 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection and processing' 4896 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4896 _Software.ID 2 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4896 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4896 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4896 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4896 _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 NMR_spectrometer1 Bruker DMX . 600 . . . 4896 1 2 NMR_spectrometer2 Bruker DMX . 800 . . . 4896 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 4896 _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 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 2 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 3 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 4 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 6 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 7 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 9 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 11 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 12 '1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4896 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCACO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHA(CO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H-13C HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4896 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '1H-13C NOESY-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . _NMR_spec_expt.Software_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4896 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4896 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4896 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4896 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4896 _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 '1H-1H NOESY' . . . 4896 1 2 '1H-15N HSQC' . . . 4896 1 3 '1H-15N TOCSY-HSQC' . . . 4896 1 4 '1H-15N NOESY-HSQC' . . . 4896 1 5 HNCO . . . 4896 1 6 HCACO . . . 4896 1 7 HNCA . . . 4896 1 8 CBCA(CO)NH . . . 4896 1 9 HBHA(CO)NH . . . 4896 1 10 HCCH-TOCSY . . . 4896 1 11 '1H-13C HSQC' . . . 4896 1 12 '1H-13C NOESY-HSQC' . . . 4896 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 SER HA H 1 4.49 0.05 . 1 . . . . . . . . 4896 1 2 . 1 1 2 2 SER HB2 H 1 3.97 0.05 . 1 . . . . . . . . 4896 1 3 . 1 1 2 2 SER HB3 H 1 3.97 0.05 . 1 . . . . . . . . 4896 1 4 . 1 1 2 2 SER C C 13 174.08 0.05 . 1 . . . . . . . . 4896 1 5 . 1 1 2 2 SER CA C 13 59.39 0.05 . 1 . . . . . . . . 4896 1 6 . 1 1 2 2 SER CB C 13 63.45 0.05 . 1 . . . . . . . . 4896 1 7 . 1 1 3 3 LEU H H 1 7.69 0.05 . 1 . . . . . . . . 4896 1 8 . 1 1 3 3 LEU HA H 1 4.04 0.05 . 1 . . . . . . . . 4896 1 9 . 1 1 3 3 LEU HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 10 . 1 1 3 3 LEU HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 11 . 1 1 3 3 LEU C C 13 177.70 0.05 . 1 . . . . . . . . 4896 1 12 . 1 1 3 3 LEU CA C 13 55.63 0.05 . 1 . . . . . . . . 4896 1 13 . 1 1 3 3 LEU CB C 13 44.30 0.05 . 1 . . . . . . . . 4896 1 14 . 1 1 3 3 LEU N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 15 . 1 1 4 4 ALA H H 1 7.99 0.05 . 1 . . . . . . . . 4896 1 16 . 1 1 4 4 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 4896 1 17 . 1 1 4 4 ALA C C 13 178.22 0.05 . 1 . . . . . . . . 4896 1 18 . 1 1 4 4 ALA CA C 13 55.71 0.05 . 1 . . . . . . . . 4896 1 19 . 1 1 4 4 ALA CB C 13 22.51 0.05 . 1 . . . . . . . . 4896 1 20 . 1 1 4 4 ALA N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 21 . 1 1 5 5 GLU H H 1 8.35 0.05 . 1 . . . . . . . . 4896 1 22 . 1 1 5 5 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 4896 1 23 . 1 1 5 5 GLU HB2 H 1 2.13 0.05 . 2 . . . . . . . . 4896 1 24 . 1 1 5 5 GLU C C 13 177.01 0.05 . 1 . . . . . . . . 4896 1 25 . 1 1 5 5 GLU CA C 13 58.59 0.05 . 1 . . . . . . . . 4896 1 26 . 1 1 5 5 GLU CB C 13 29.40 0.05 . 1 . . . . . . . . 4896 1 27 . 1 1 5 5 GLU N N 15 112.40 0.05 . 1 . . . . . . . . 4896 1 28 . 1 1 6 6 LYS H H 1 7.60 0.05 . 1 . . . . . . . . 4896 1 29 . 1 1 6 6 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . 4896 1 30 . 1 1 6 6 LYS HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4896 1 31 . 1 1 6 6 LYS HB3 H 1 1.92 0.05 . 1 . . . . . . . . 4896 1 32 . 1 1 6 6 LYS C C 13 175.98 0.05 . 1 . . . . . . . . 4896 1 33 . 1 1 6 6 LYS CA C 13 56.08 0.05 . 1 . . . . . . . . 4896 1 34 . 1 1 6 6 LYS CB C 13 33.38 0.05 . 1 . . . . . . . . 4896 1 35 . 1 1 6 6 LYS N N 15 116.90 0.05 . 1 . . . . . . . . 4896 1 36 . 1 1 7 7 ILE H H 1 7.15 0.05 . 1 . . . . . . . . 4896 1 37 . 1 1 7 7 ILE HA H 1 4.00 0.05 . 1 . . . . . . . . 4896 1 38 . 1 1 7 7 ILE HB H 1 1.94 0.05 . 1 . . . . . . . . 4896 1 39 . 1 1 7 7 ILE C C 13 175.11 0.05 . 1 . . . . . . . . 4896 1 40 . 1 1 7 7 ILE CA C 13 60.34 0.05 . 1 . . . . . . . . 4896 1 41 . 1 1 7 7 ILE CB C 13 38.11 0.05 . 1 . . . . . . . . 4896 1 42 . 1 1 7 7 ILE N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 43 . 1 1 8 8 LYS H H 1 11.06 0.05 . 1 . . . . . . . . 4896 1 44 . 1 1 8 8 LYS HA H 1 4.78 0.05 . 1 . . . . . . . . 4896 1 45 . 1 1 8 8 LYS HB2 H 1 1.39 0.05 . 1 . . . . . . . . 4896 1 46 . 1 1 8 8 LYS HB3 H 1 1.39 0.05 . 1 . . . . . . . . 4896 1 47 . 1 1 8 8 LYS C C 13 176.50 0.05 . 1 . . . . . . . . 4896 1 48 . 1 1 8 8 LYS CA C 13 56.20 0.05 . 1 . . . . . . . . 4896 1 49 . 1 1 8 8 LYS CB C 13 33.38 0.05 . 1 . . . . . . . . 4896 1 50 . 1 1 8 8 LYS N N 15 131.67 0.05 . 1 . . . . . . . . 4896 1 51 . 1 1 9 9 VAL H H 1 9.02 0.05 . 1 . . . . . . . . 4896 1 52 . 1 1 9 9 VAL HA H 1 5.18 0.05 . 1 . . . . . . . . 4896 1 53 . 1 1 9 9 VAL HB H 1 1.90 0.05 . 2 . . . . . . . . 4896 1 54 . 1 1 9 9 VAL C C 13 172.71 0.05 . 1 . . . . . . . . 4896 1 55 . 1 1 9 9 VAL CA C 13 60.44 0.05 . 1 . . . . . . . . 4896 1 56 . 1 1 9 9 VAL CB C 13 34.41 0.05 . 1 . . . . . . . . 4896 1 57 . 1 1 9 9 VAL N N 15 125.25 0.05 . 1 . . . . . . . . 4896 1 58 . 1 1 10 10 LEU H H 1 9.27 0.05 . 1 . . . . . . . . 4896 1 59 . 1 1 10 10 LEU HA H 1 5.14 0.05 . 1 . . . . . . . . 4896 1 60 . 1 1 10 10 LEU HB2 H 1 1.67 0.05 . 1 . . . . . . . . 4896 1 61 . 1 1 10 10 LEU HB3 H 1 1.67 0.05 . 1 . . . . . . . . 4896 1 62 . 1 1 10 10 LEU C C 13 174.25 0.05 . 1 . . . . . . . . 4896 1 63 . 1 1 10 10 LEU CA C 13 52.15 0.05 . 1 . . . . . . . . 4896 1 64 . 1 1 10 10 LEU CB C 13 43.88 0.05 . 1 . . . . . . . . 4896 1 65 . 1 1 10 10 LEU N N 15 131.03 0.05 . 1 . . . . . . . . 4896 1 66 . 1 1 11 11 ILE H H 1 9.06 0.05 . 1 . . . . . . . . 4896 1 67 . 1 1 11 11 ILE HA H 1 5.07 0.05 . 1 . . . . . . . . 4896 1 68 . 1 1 11 11 ILE HB H 1 1.66 0.05 . 1 . . . . . . . . 4896 1 69 . 1 1 11 11 ILE C C 13 176.84 0.05 . 1 . . . . . . . . 4896 1 70 . 1 1 11 11 ILE CA C 13 58.88 0.05 . 1 . . . . . . . . 4896 1 71 . 1 1 11 11 ILE CB C 13 40.21 0.05 . 1 . . . . . . . . 4896 1 72 . 1 1 11 11 ILE N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 73 . 1 1 12 12 VAL H H 1 8.58 0.05 . 1 . . . . . . . . 4896 1 74 . 1 1 12 12 VAL HA H 1 4.73 0.05 . 1 . . . . . . . . 4896 1 75 . 1 1 12 12 VAL HB H 1 2.12 0.05 . 1 . . . . . . . . 4896 1 76 . 1 1 12 12 VAL C C 13 174.42 0.05 . 1 . . . . . . . . 4896 1 77 . 1 1 12 12 VAL CA C 13 59.99 0.05 . 1 . . . . . . . . 4896 1 78 . 1 1 12 12 VAL CB C 13 32.00 0.05 . 1 . . . . . . . . 4896 1 79 . 1 1 12 12 VAL N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 80 . 1 1 13 13 ASP H H 1 8.02 0.05 . 1 . . . . . . . . 4896 1 81 . 1 1 13 13 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 4896 1 82 . 1 1 13 13 ASP HB2 H 1 2.69 0.05 . 2 . . . . . . . . 4896 1 83 . 1 1 13 13 ASP HB3 H 1 2.34 0.05 . 2 . . . . . . . . 4896 1 84 . 1 1 13 13 ASP C C 13 175.11 0.05 . 1 . . . . . . . . 4896 1 85 . 1 1 13 13 ASP CA C 13 54.76 0.05 . 1 . . . . . . . . 4896 1 86 . 1 1 13 13 ASP CB C 13 42.73 0.05 . 1 . . . . . . . . 4896 1 87 . 1 1 13 13 ASP N N 15 123.32 0.05 . 1 . . . . . . . . 4896 1 88 . 1 1 14 14 ASP H H 1 9.31 0.05 . 1 . . . . . . . . 4896 1 89 . 1 1 14 14 ASP HA H 1 4.80 0.05 . 1 . . . . . . . . 4896 1 90 . 1 1 14 14 ASP HB2 H 1 2.82 0.05 . 1 . . . . . . . . 4896 1 91 . 1 1 14 14 ASP HB3 H 1 2.82 0.05 . 1 . . . . . . . . 4896 1 92 . 1 1 14 14 ASP C C 13 175.87 0.05 . 1 . . . . . . . . 4896 1 93 . 1 1 14 14 ASP CA C 13 55.46 0.05 . 1 . . . . . . . . 4896 1 94 . 1 1 14 14 ASP CB C 13 41.20 0.05 . 1 . . . . . . . . 4896 1 95 . 1 1 14 14 ASP N N 15 125.89 0.05 . 1 . . . . . . . . 4896 1 96 . 1 1 15 15 GLN H H 1 9.07 0.05 . 1 . . . . . . . . 4896 1 97 . 1 1 15 15 GLN HA H 1 4.55 0.05 . 1 . . . . . . . . 4896 1 98 . 1 1 15 15 GLN HB2 H 1 2.19 0.05 . 1 . . . . . . . . 4896 1 99 . 1 1 15 15 GLN HB3 H 1 2.19 0.05 . 1 . . . . . . . . 4896 1 100 . 1 1 15 15 GLN C C 13 175.63 0.05 . 1 . . . . . . . . 4896 1 101 . 1 1 15 15 GLN CA C 13 54.12 0.05 . 1 . . . . . . . . 4896 1 102 . 1 1 15 15 GLN CB C 13 29.25 0.05 . 1 . . . . . . . . 4896 1 103 . 1 1 15 15 GLN N N 15 121.39 0.05 . 1 . . . . . . . . 4896 1 104 . 1 1 16 16 VAL H H 1 8.62 0.05 . 1 . . . . . . . . 4896 1 105 . 1 1 16 16 VAL HA H 1 3.46 0.05 . 1 . . . . . . . . 4896 1 106 . 1 1 16 16 VAL HB H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 107 . 1 1 16 16 VAL C C 13 177.01 0.05 . 1 . . . . . . . . 4896 1 108 . 1 1 16 16 VAL CA C 13 66.52 0.05 . 1 . . . . . . . . 4896 1 109 . 1 1 16 16 VAL CB C 13 31.67 0.05 . 1 . . . . . . . . 4896 1 110 . 1 1 16 16 VAL N N 15 126.53 0.05 . 1 . . . . . . . . 4896 1 111 . 1 1 17 17 THR H H 1 8.25 0.05 . 1 . . . . . . . . 4896 1 112 . 1 1 17 17 THR HA H 1 4.21 0.05 . 1 . . . . . . . . 4896 1 113 . 1 1 17 17 THR HB H 1 3.89 0.05 . 1 . . . . . . . . 4896 1 114 . 1 1 17 17 THR C C 13 177.01 0.05 . 1 . . . . . . . . 4896 1 115 . 1 1 17 17 THR CA C 13 66.07 0.05 . 1 . . . . . . . . 4896 1 116 . 1 1 17 17 THR CB C 13 68.12 0.05 . 1 . . . . . . . . 4896 1 117 . 1 1 17 17 THR N N 15 111.76 0.05 . 1 . . . . . . . . 4896 1 118 . 1 1 18 18 SER H H 1 7.01 0.05 . 1 . . . . . . . . 4896 1 119 . 1 1 18 18 SER HA H 1 4.32 0.05 . 1 . . . . . . . . 4896 1 120 . 1 1 18 18 SER HB2 H 1 3.99 0.05 . 2 . . . . . . . . 4896 1 121 . 1 1 18 18 SER HB3 H 1 3.12 0.05 . 2 . . . . . . . . 4896 1 122 . 1 1 18 18 SER C C 13 176.84 0.05 . 1 . . . . . . . . 4896 1 123 . 1 1 18 18 SER CA C 13 62.02 0.05 . 1 . . . . . . . . 4896 1 124 . 1 1 18 18 SER CB C 13 62.02 0.05 . 1 . . . . . . . . 4896 1 125 . 1 1 18 18 SER N N 15 114.33 0.05 . 1 . . . . . . . . 4896 1 126 . 1 1 19 19 ARG H H 1 8.11 0.05 . 1 . . . . . . . . 4896 1 127 . 1 1 19 19 ARG HA H 1 3.95 0.05 . 1 . . . . . . . . 4896 1 128 . 1 1 19 19 ARG HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4896 1 129 . 1 1 19 19 ARG C C 13 179.26 0.05 . 1 . . . . . . . . 4896 1 130 . 1 1 19 19 ARG CA C 13 60.49 0.05 . 1 . . . . . . . . 4896 1 131 . 1 1 19 19 ARG CB C 13 31.15 0.05 . 1 . . . . . . . . 4896 1 132 . 1 1 19 19 ARG N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 133 . 1 1 20 20 LEU H H 1 8.36 0.05 . 1 . . . . . . . . 4896 1 134 . 1 1 20 20 LEU HA H 1 4.15 0.05 . 1 . . . . . . . . 4896 1 135 . 1 1 20 20 LEU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4896 1 136 . 1 1 20 20 LEU HB3 H 1 1.62 0.05 . 2 . . . . . . . . 4896 1 137 . 1 1 20 20 LEU C C 13 179.43 0.05 . 1 . . . . . . . . 4896 1 138 . 1 1 20 20 LEU CA C 13 57.86 0.05 . 1 . . . . . . . . 4896 1 139 . 1 1 20 20 LEU CB C 13 41.41 0.05 . 1 . . . . . . . . 4896 1 140 . 1 1 20 20 LEU N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 141 . 1 1 21 21 LEU H H 1 7.59 0.05 . 1 . . . . . . . . 4896 1 142 . 1 1 21 21 LEU HA H 1 4.31 0.05 . 1 . . . . . . . . 4896 1 143 . 1 1 21 21 LEU HB2 H 1 2.26 0.05 . 2 . . . . . . . . 4896 1 144 . 1 1 21 21 LEU HB3 H 1 1.39 0.05 . 2 . . . . . . . . 4896 1 145 . 1 1 21 21 LEU C C 13 176.69 0.05 . 1 . . . . . . . . 4896 1 146 . 1 1 21 21 LEU CA C 13 57.86 0.05 . 1 . . . . . . . . 4896 1 147 . 1 1 21 21 LEU CB C 13 41.22 0.05 . 1 . . . . . . . . 4896 1 148 . 1 1 21 21 LEU N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 149 . 1 1 22 22 LEU H H 1 7.88 0.05 . 1 . . . . . . . . 4896 1 150 . 1 1 22 22 LEU HA H 1 4.09 0.05 . 1 . . . . . . . . 4896 1 151 . 1 1 22 22 LEU HB2 H 1 1.72 0.05 . 1 . . . . . . . . 4896 1 152 . 1 1 22 22 LEU HB3 H 1 1.72 0.05 . 1 . . . . . . . . 4896 1 153 . 1 1 22 22 LEU C C 13 178.22 0.05 . 1 . . . . . . . . 4896 1 154 . 1 1 22 22 LEU CA C 13 57.86 0.05 . 1 . . . . . . . . 4896 1 155 . 1 1 22 22 LEU CB C 13 41.27 0.05 . 1 . . . . . . . . 4896 1 156 . 1 1 22 22 LEU N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 157 . 1 1 23 23 GLY H H 1 8.34 0.05 . 1 . . . . . . . . 4896 1 158 . 1 1 23 23 GLY HA2 H 1 4.00 0.05 . 1 . . . . . . . . 4896 1 159 . 1 1 23 23 GLY HA3 H 1 3.54 0.05 . 1 . . . . . . . . 4896 1 160 . 1 1 23 23 GLY C C 13 175.64 0.05 . 1 . . . . . . . . 4896 1 161 . 1 1 23 23 GLY CA C 13 47.64 0.05 . 1 . . . . . . . . 4896 1 162 . 1 1 23 23 GLY N N 15 105.98 0.05 . 1 . . . . . . . . 4896 1 163 . 1 1 24 24 ASP H H 1 8.26 0.05 . 1 . . . . . . . . 4896 1 164 . 1 1 24 24 ASP HA H 1 4.43 0.05 . 1 . . . . . . . . 4896 1 165 . 1 1 24 24 ASP HB2 H 1 2.80 0.05 . 1 . . . . . . . . 4896 1 166 . 1 1 24 24 ASP HB3 H 1 2.80 0.05 . 1 . . . . . . . . 4896 1 167 . 1 1 24 24 ASP C C 13 178.40 0.05 . 1 . . . . . . . . 4896 1 168 . 1 1 24 24 ASP CA C 13 57.51 0.05 . 1 . . . . . . . . 4896 1 169 . 1 1 24 24 ASP CB C 13 41.03 0.05 . 1 . . . . . . . . 4896 1 170 . 1 1 24 24 ASP N N 15 121.39 0.05 . 1 . . . . . . . . 4896 1 171 . 1 1 25 25 ALA H H 1 7.97 0.05 . 1 . . . . . . . . 4896 1 172 . 1 1 25 25 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4896 1 173 . 1 1 25 25 ALA HB1 H 1 1.62 0.05 . 1 . . . . . . . . 4896 1 174 . 1 1 25 25 ALA HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4896 1 175 . 1 1 25 25 ALA HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4896 1 176 . 1 1 25 25 ALA C C 13 179.42 0.05 . 1 . . . . . . . . 4896 1 177 . 1 1 25 25 ALA CA C 13 55.17 0.05 . 1 . . . . . . . . 4896 1 178 . 1 1 25 25 ALA CB C 13 21.00 0.05 . 1 . . . . . . . . 4896 1 179 . 1 1 25 25 ALA N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 180 . 1 1 26 26 LEU H H 1 8.33 0.05 . 1 . . . . . . . . 4896 1 181 . 1 1 26 26 LEU HA H 1 4.10 0.05 . 1 . . . . . . . . 4896 1 182 . 1 1 26 26 LEU HB2 H 1 2.01 0.05 . 2 . . . . . . . . 4896 1 183 . 1 1 26 26 LEU HB3 H 1 1.16 0.05 . 2 . . . . . . . . 4896 1 184 . 1 1 26 26 LEU C C 13 180.04 0.05 . 1 . . . . . . . . 4896 1 185 . 1 1 26 26 LEU CA C 13 57.67 0.05 . 1 . . . . . . . . 4896 1 186 . 1 1 26 26 LEU CB C 13 40.86 0.05 . 1 . . . . . . . . 4896 1 187 . 1 1 26 26 LEU N N 15 114.97 0.05 . 1 . . . . . . . . 4896 1 188 . 1 1 27 27 GLN H H 1 8.40 0.05 . 1 . . . . . . . . 4896 1 189 . 1 1 27 27 GLN HA H 1 4.11 0.05 . 1 . . . . . . . . 4896 1 190 . 1 1 27 27 GLN HB2 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 191 . 1 1 27 27 GLN HB3 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 192 . 1 1 27 27 GLN C C 13 179.06 0.05 . 1 . . . . . . . . 4896 1 193 . 1 1 27 27 GLN CA C 13 59.76 0.05 . 1 . . . . . . . . 4896 1 194 . 1 1 27 27 GLN CB C 13 33.37 0.05 . 1 . . . . . . . . 4896 1 195 . 1 1 27 27 GLN N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 196 . 1 1 28 28 GLN H H 1 8.07 0.05 . 1 . . . . . . . . 4896 1 197 . 1 1 28 28 GLN HA H 1 4.12 0.05 . 1 . . . . . . . . 4896 1 198 . 1 1 28 28 GLN HB2 H 1 1.83 0.05 . 1 . . . . . . . . 4896 1 199 . 1 1 28 28 GLN HB3 H 1 1.83 0.05 . 1 . . . . . . . . 4896 1 200 . 1 1 28 28 GLN C C 13 178.22 0.05 . 1 . . . . . . . . 4896 1 201 . 1 1 28 28 GLN CA C 13 59.24 0.05 . 1 . . . . . . . . 4896 1 202 . 1 1 28 28 GLN CB C 13 32.91 0.05 . 1 . . . . . . . . 4896 1 203 . 1 1 28 28 GLN N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 204 . 1 1 29 29 LEU H H 1 8.79 0.05 . 1 . . . . . . . . 4896 1 205 . 1 1 29 29 LEU HA H 1 4.32 0.05 . 1 . . . . . . . . 4896 1 206 . 1 1 29 29 LEU HB2 H 1 2.25 0.05 . 2 . . . . . . . . 4896 1 207 . 1 1 29 29 LEU HB3 H 1 1.70 0.05 . 2 . . . . . . . . 4896 1 208 . 1 1 29 29 LEU C C 13 175.63 0.05 . 1 . . . . . . . . 4896 1 209 . 1 1 29 29 LEU CA C 13 54.96 0.05 . 1 . . . . . . . . 4896 1 210 . 1 1 29 29 LEU CB C 13 42.67 0.05 . 1 . . . . . . . . 4896 1 211 . 1 1 29 29 LEU N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 212 . 1 1 30 30 GLY H H 1 7.58 0.05 . 1 . . . . . . . . 4896 1 213 . 1 1 30 30 GLY HA2 H 1 4.17 0.05 . 2 . . . . . . . . 4896 1 214 . 1 1 30 30 GLY HA3 H 1 3.57 0.05 . 2 . . . . . . . . 4896 1 215 . 1 1 30 30 GLY C C 13 174.46 0.05 . 1 . . . . . . . . 4896 1 216 . 1 1 30 30 GLY CA C 13 44.26 0.05 . 1 . . . . . . . . 4896 1 217 . 1 1 30 30 GLY N N 15 103.41 0.05 . 1 . . . . . . . . 4896 1 218 . 1 1 31 31 PHE H H 1 7.88 0.05 . 1 . . . . . . . . 4896 1 219 . 1 1 31 31 PHE HA H 1 4.23 0.05 . 1 . . . . . . . . 4896 1 220 . 1 1 31 31 PHE HB2 H 1 2.69 0.05 . 1 . . . . . . . . 4896 1 221 . 1 1 31 31 PHE HB3 H 1 2.69 0.05 . 1 . . . . . . . . 4896 1 222 . 1 1 31 31 PHE C C 13 175.30 0.05 . 1 . . . . . . . . 4896 1 223 . 1 1 31 31 PHE CA C 13 59.16 0.05 . 1 . . . . . . . . 4896 1 224 . 1 1 31 31 PHE CB C 13 38.46 0.05 . 1 . . . . . . . . 4896 1 225 . 1 1 31 31 PHE N N 15 117.54 0.05 . 1 . . . . . . . . 4896 1 226 . 1 1 32 32 LYS H H 1 8.25 0.05 . 1 . . . . . . . . 4896 1 227 . 1 1 32 32 LYS HA H 1 4.67 0.05 . 1 . . . . . . . . 4896 1 228 . 1 1 32 32 LYS HB2 H 1 2.01 0.05 . 2 . . . . . . . . 4896 1 229 . 1 1 32 32 LYS HB3 H 1 1.72 0.05 . 2 . . . . . . . . 4896 1 230 . 1 1 32 32 LYS C C 13 176.47 0.05 . 1 . . . . . . . . 4896 1 231 . 1 1 32 32 LYS CA C 13 56.20 0.05 . 1 . . . . . . . . 4896 1 232 . 1 1 32 32 LYS CB C 13 36.04 0.05 . 1 . . . . . . . . 4896 1 233 . 1 1 32 32 LYS N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 234 . 1 1 33 33 GLN H H 1 8.82 0.05 . 1 . . . . . . . . 4896 1 235 . 1 1 33 33 GLN HA H 1 4.63 0.05 . 1 . . . . . . . . 4896 1 236 . 1 1 33 33 GLN HB2 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 237 . 1 1 33 33 GLN HB3 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 238 . 1 1 33 33 GLN C C 13 172.90 0.05 . 1 . . . . . . . . 4896 1 239 . 1 1 33 33 GLN CA C 13 55.45 0.05 . 1 . . . . . . . . 4896 1 240 . 1 1 33 33 GLN CB C 13 28.89 0.05 . 1 . . . . . . . . 4896 1 241 . 1 1 33 33 GLN N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 242 . 1 1 34 34 ILE H H 1 7.73 0.05 . 1 . . . . . . . . 4896 1 243 . 1 1 34 34 ILE HA H 1 5.09 0.05 . 1 . . . . . . . . 4896 1 244 . 1 1 34 34 ILE HB H 1 1.61 0.05 . 1 . . . . . . . . 4896 1 245 . 1 1 34 34 ILE C C 13 175.65 0.05 . 1 . . . . . . . . 4896 1 246 . 1 1 34 34 ILE CA C 13 59.70 0.05 . 1 . . . . . . . . 4896 1 247 . 1 1 34 34 ILE CB C 13 41.28 0.05 . 1 . . . . . . . . 4896 1 248 . 1 1 34 34 ILE N N 15 123.32 0.05 . 1 . . . . . . . . 4896 1 249 . 1 1 35 35 THR H H 1 9.52 0.05 . 1 . . . . . . . . 4896 1 250 . 1 1 35 35 THR HA H 1 4.54 0.05 . 1 . . . . . . . . 4896 1 251 . 1 1 35 35 THR HB H 1 3.77 0.05 . 1 . . . . . . . . 4896 1 252 . 1 1 35 35 THR C C 13 171.64 0.05 . 1 . . . . . . . . 4896 1 253 . 1 1 35 35 THR CA C 13 61.33 0.05 . 1 . . . . . . . . 4896 1 254 . 1 1 35 35 THR CB C 13 68.70 0.05 . 1 . . . . . . . . 4896 1 255 . 1 1 35 35 THR N N 15 127.82 0.05 . 1 . . . . . . . . 4896 1 256 . 1 1 36 36 ALA H H 1 8.73 0.05 . 1 . . . . . . . . 4896 1 257 . 1 1 36 36 ALA HA H 1 5.41 0.05 . 1 . . . . . . . . 4896 1 258 . 1 1 36 36 ALA HB1 H 1 1.24 0.05 . 1 . . . . . . . . 4896 1 259 . 1 1 36 36 ALA HB2 H 1 1.24 0.05 . 1 . . . . . . . . 4896 1 260 . 1 1 36 36 ALA HB3 H 1 1.24 0.05 . 1 . . . . . . . . 4896 1 261 . 1 1 36 36 ALA C C 13 175.47 0.05 . 1 . . . . . . . . 4896 1 262 . 1 1 36 36 ALA CA C 13 50.12 0.05 . 1 . . . . . . . . 4896 1 263 . 1 1 36 36 ALA CB C 13 22.05 0.05 . 1 . . . . . . . . 4896 1 264 . 1 1 36 36 ALA N N 15 127.82 0.05 . 1 . . . . . . . . 4896 1 265 . 1 1 37 37 ALA H H 1 9.03 0.05 . 1 . . . . . . . . 4896 1 266 . 1 1 37 37 ALA HA H 1 4.58 0.05 . 1 . . . . . . . . 4896 1 267 . 1 1 37 37 ALA HB1 H 1 1.28 0.05 . 1 . . . . . . . . 4896 1 268 . 1 1 37 37 ALA HB2 H 1 1.28 0.05 . 1 . . . . . . . . 4896 1 269 . 1 1 37 37 ALA HB3 H 1 1.28 0.05 . 1 . . . . . . . . 4896 1 270 . 1 1 37 37 ALA C C 13 175.97 0.05 . 1 . . . . . . . . 4896 1 271 . 1 1 37 37 ALA CA C 13 50.09 0.05 . 1 . . . . . . . . 4896 1 272 . 1 1 37 37 ALA CB C 13 22.93 0.05 . 1 . . . . . . . . 4896 1 273 . 1 1 37 37 ALA N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 274 . 1 1 38 38 GLY H H 1 8.36 0.05 . 1 . . . . . . . . 4896 1 275 . 1 1 38 38 GLY HA2 H 1 4.54 0.05 . 2 . . . . . . . . 4896 1 276 . 1 1 38 38 GLY HA3 H 1 3.67 0.05 . 2 . . . . . . . . 4896 1 277 . 1 1 38 38 GLY C C 13 172.87 0.05 . 1 . . . . . . . . 4896 1 278 . 1 1 38 38 GLY CA C 13 44.82 0.05 . 1 . . . . . . . . 4896 1 279 . 1 1 38 38 GLY N N 15 104.05 0.05 . 1 . . . . . . . . 4896 1 280 . 1 1 39 39 ASP H H 1 7.21 0.05 . 1 . . . . . . . . 4896 1 281 . 1 1 39 39 ASP HA H 1 4.89 0.05 . 1 . . . . . . . . 4896 1 282 . 1 1 39 39 ASP HB2 H 1 3.39 0.05 . 2 . . . . . . . . 4896 1 283 . 1 1 39 39 ASP HB3 H 1 2.96 0.05 . 2 . . . . . . . . 4896 1 284 . 1 1 39 39 ASP C C 13 176.32 0.05 . 1 . . . . . . . . 4896 1 285 . 1 1 39 39 ASP CA C 13 53.98 0.05 . 1 . . . . . . . . 4896 1 286 . 1 1 39 39 ASP CB C 13 42.78 0.05 . 1 . . . . . . . . 4896 1 287 . 1 1 39 39 ASP N N 15 109.83 0.05 . 1 . . . . . . . . 4896 1 288 . 1 1 40 40 GLY H H 1 7.84 0.05 . 1 . . . . . . . . 4896 1 289 . 1 1 40 40 GLY HA2 H 1 3.99 0.05 . 2 . . . . . . . . 4896 1 290 . 1 1 40 40 GLY HA3 H 1 3.67 0.05 . 2 . . . . . . . . 4896 1 291 . 1 1 40 40 GLY C C 13 174.27 0.05 . 1 . . . . . . . . 4896 1 292 . 1 1 40 40 GLY CA C 13 48.47 0.05 . 1 . . . . . . . . 4896 1 293 . 1 1 40 40 GLY N N 15 104.05 0.05 . 1 . . . . . . . . 4896 1 294 . 1 1 41 41 GLU H H 1 8.46 0.05 . 1 . . . . . . . . 4896 1 295 . 1 1 41 41 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4896 1 296 . 1 1 41 41 GLU HB2 H 1 2.04 0.05 . 1 . . . . . . . . 4896 1 297 . 1 1 41 41 GLU HB3 H 1 2.04 0.05 . 1 . . . . . . . . 4896 1 298 . 1 1 41 41 GLU C C 13 179.26 0.05 . 1 . . . . . . . . 4896 1 299 . 1 1 41 41 GLU CA C 13 59.81 0.05 . 1 . . . . . . . . 4896 1 300 . 1 1 41 41 GLU CB C 13 29.76 0.05 . 1 . . . . . . . . 4896 1 301 . 1 1 41 41 GLU N N 15 123.32 0.05 . 1 . . . . . . . . 4896 1 302 . 1 1 42 42 GLN H H 1 9.24 0.05 . 1 . . . . . . . . 4896 1 303 . 1 1 42 42 GLN HA H 1 4.00 0.05 . 1 . . . . . . . . 4896 1 304 . 1 1 42 42 GLN HB2 H 1 2.10 0.05 . 1 . . . . . . . . 4896 1 305 . 1 1 42 42 GLN HB3 H 1 2.10 0.05 . 1 . . . . . . . . 4896 1 306 . 1 1 42 42 GLN C C 13 179.16 0.05 . 1 . . . . . . . . 4896 1 307 . 1 1 42 42 GLN CA C 13 58.51 0.05 . 1 . . . . . . . . 4896 1 308 . 1 1 42 42 GLN CB C 13 28.68 0.05 . 1 . . . . . . . . 4896 1 309 . 1 1 42 42 GLN N N 15 121.39 0.05 . 1 . . . . . . . . 4896 1 310 . 1 1 43 43 GLY H H 1 8.25 0.05 . 1 . . . . . . . . 4896 1 311 . 1 1 43 43 GLY HA2 H 1 4.00 0.05 . 2 . . . . . . . . 4896 1 312 . 1 1 43 43 GLY HA3 H 1 3.53 0.05 . 2 . . . . . . . . 4896 1 313 . 1 1 43 43 GLY C C 13 173.39 0.05 . 1 . . . . . . . . 4896 1 314 . 1 1 43 43 GLY CA C 13 47.32 0.05 . 1 . . . . . . . . 4896 1 315 . 1 1 43 43 GLY N N 15 102.77 0.05 . 1 . . . . . . . . 4896 1 316 . 1 1 44 44 MET H H 1 8.30 0.05 . 1 . . . . . . . . 4896 1 317 . 1 1 44 44 MET HA H 1 4.31 0.05 . 1 . . . . . . . . 4896 1 318 . 1 1 44 44 MET HB2 H 1 2.24 0.05 . 2 . . . . . . . . 4896 1 319 . 1 1 44 44 MET HB3 H 1 1.91 0.05 . 2 . . . . . . . . 4896 1 320 . 1 1 44 44 MET C C 13 177.71 0.05 . 1 . . . . . . . . 4896 1 321 . 1 1 44 44 MET CA C 13 57.23 0.05 . 1 . . . . . . . . 4896 1 322 . 1 1 44 44 MET CB C 13 31.38 0.05 . 1 . . . . . . . . 4896 1 323 . 1 1 44 44 MET N N 15 121.39 0.05 . 1 . . . . . . . . 4896 1 324 . 1 1 45 45 LYS H H 1 7.99 0.05 . 1 . . . . . . . . 4896 1 325 . 1 1 45 45 LYS HA H 1 4.02 0.05 . 1 . . . . . . . . 4896 1 326 . 1 1 45 45 LYS HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4896 1 327 . 1 1 45 45 LYS HB3 H 1 1.92 0.05 . 1 . . . . . . . . 4896 1 328 . 1 1 45 45 LYS C C 13 179.96 0.05 . 1 . . . . . . . . 4896 1 329 . 1 1 45 45 LYS CA C 13 59.71 0.05 . 1 . . . . . . . . 4896 1 330 . 1 1 45 45 LYS CB C 13 32.15 0.05 . 1 . . . . . . . . 4896 1 331 . 1 1 45 45 LYS N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 332 . 1 1 46 46 ILE H H 1 7.86 0.05 . 1 . . . . . . . . 4896 1 333 . 1 1 46 46 ILE HA H 1 3.77 0.05 . 1 . . . . . . . . 4896 1 334 . 1 1 46 46 ILE HB H 1 1.81 0.05 . 1 . . . . . . . . 4896 1 335 . 1 1 46 46 ILE C C 13 177.52 0.05 . 1 . . . . . . . . 4896 1 336 . 1 1 46 46 ILE CA C 13 65.05 0.05 . 1 . . . . . . . . 4896 1 337 . 1 1 46 46 ILE CB C 13 38.06 0.05 . 1 . . . . . . . . 4896 1 338 . 1 1 46 46 ILE N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 339 . 1 1 47 47 MET H H 1 7.94 0.05 . 1 . . . . . . . . 4896 1 340 . 1 1 47 47 MET HA H 1 4.19 0.05 . 1 . . . . . . . . 4896 1 341 . 1 1 47 47 MET HB2 H 1 2.33 0.05 . 2 . . . . . . . . 4896 1 342 . 1 1 47 47 MET HB3 H 1 2.02 0.05 . 2 . . . . . . . . 4896 1 343 . 1 1 47 47 MET C C 13 176.33 0.05 . 1 . . . . . . . . 4896 1 344 . 1 1 47 47 MET CA C 13 56.74 0.05 . 1 . . . . . . . . 4896 1 345 . 1 1 47 47 MET CB C 13 30.84 0.05 . 1 . . . . . . . . 4896 1 346 . 1 1 47 47 MET N N 15 115.61 0.05 . 1 . . . . . . . . 4896 1 347 . 1 1 48 48 ALA H H 1 8.17 0.05 . 1 . . . . . . . . 4896 1 348 . 1 1 48 48 ALA HA H 1 3.90 0.05 . 1 . . . . . . . . 4896 1 349 . 1 1 48 48 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 350 . 1 1 48 48 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 351 . 1 1 48 48 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 352 . 1 1 48 48 ALA C C 13 179.08 0.05 . 1 . . . . . . . . 4896 1 353 . 1 1 48 48 ALA CA C 13 54.16 0.05 . 1 . . . . . . . . 4896 1 354 . 1 1 48 48 ALA CB C 13 21.50 0.05 . 1 . . . . . . . . 4896 1 355 . 1 1 48 48 ALA N N 15 115.61 0.05 . 1 . . . . . . . . 4896 1 356 . 1 1 49 49 GLN H H 1 7.32 0.05 . 1 . . . . . . . . 4896 1 357 . 1 1 49 49 GLN HA H 1 4.35 0.05 . 1 . . . . . . . . 4896 1 358 . 1 1 49 49 GLN HB2 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 359 . 1 1 49 49 GLN HB3 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 360 . 1 1 49 49 GLN C C 13 176.15 0.05 . 1 . . . . . . . . 4896 1 361 . 1 1 49 49 GLN CA C 13 56.34 0.05 . 1 . . . . . . . . 4896 1 362 . 1 1 49 49 GLN CB C 13 29.92 0.05 . 1 . . . . . . . . 4896 1 363 . 1 1 49 49 GLN N N 15 113.69 0.05 . 1 . . . . . . . . 4896 1 364 . 1 1 50 50 ASN H H 1 8.55 0.05 . 1 . . . . . . . . 4896 1 365 . 1 1 50 50 ASN N N 15 116.26 0.05 . 1 . . . . . . . . 4896 1 366 . 1 1 51 51 PRO HA H 1 4.54 0.05 . 1 . . . . . . . . 4896 1 367 . 1 1 51 51 PRO HB2 H 1 2.25 0.05 . 2 . . . . . . . . 4896 1 368 . 1 1 51 51 PRO HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4896 1 369 . 1 1 51 51 PRO C C 13 176.49 0.05 . 1 . . . . . . . . 4896 1 370 . 1 1 51 51 PRO CA C 13 65.10 0.05 . 1 . . . . . . . . 4896 1 371 . 1 1 51 51 PRO CB C 13 32.05 0.05 . 1 . . . . . . . . 4896 1 372 . 1 1 52 52 HIS H H 1 7.42 0.05 . 1 . . . . . . . . 4896 1 373 . 1 1 52 52 HIS HA H 1 4.34 0.05 . 1 . . . . . . . . 4896 1 374 . 1 1 52 52 HIS HB2 H 1 3.22 0.05 . 2 . . . . . . . . 4896 1 375 . 1 1 52 52 HIS HB3 H 1 2.80 0.05 . 2 . . . . . . . . 4896 1 376 . 1 1 52 52 HIS C C 13 173.21 0.05 . 1 . . . . . . . . 4896 1 377 . 1 1 52 52 HIS CA C 13 54.63 0.05 . 1 . . . . . . . . 4896 1 378 . 1 1 52 52 HIS CB C 13 29.72 0.05 . 1 . . . . . . . . 4896 1 379 . 1 1 52 52 HIS N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 380 . 1 1 53 53 HIS H H 1 8.23 0.05 . 1 . . . . . . . . 4896 1 381 . 1 1 53 53 HIS HA H 1 4.52 0.05 . 1 . . . . . . . . 4896 1 382 . 1 1 53 53 HIS HB2 H 1 3.23 0.05 . 1 . . . . . . . . 4896 1 383 . 1 1 53 53 HIS HB3 H 1 3.23 0.05 . 1 . . . . . . . . 4896 1 384 . 1 1 53 53 HIS C C 13 175.29 0.05 . 1 . . . . . . . . 4896 1 385 . 1 1 53 53 HIS CA C 13 59.75 0.05 . 1 . . . . . . . . 4896 1 386 . 1 1 53 53 HIS CB C 13 33.48 0.05 . 1 . . . . . . . . 4896 1 387 . 1 1 53 53 HIS N N 15 118.82 0.05 . 1 . . . . . . . . 4896 1 388 . 1 1 54 54 LEU H H 1 8.07 0.05 . 1 . . . . . . . . 4896 1 389 . 1 1 54 54 LEU HA H 1 5.31 0.05 . 1 . . . . . . . . 4896 1 390 . 1 1 54 54 LEU HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4896 1 391 . 1 1 54 54 LEU HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4896 1 392 . 1 1 54 54 LEU C C 13 172.35 0.05 . 1 . . . . . . . . 4896 1 393 . 1 1 54 54 LEU CA C 13 53.15 0.05 . 1 . . . . . . . . 4896 1 394 . 1 1 54 54 LEU CB C 13 44.79 0.05 . 1 . . . . . . . . 4896 1 395 . 1 1 54 54 LEU N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 396 . 1 1 55 55 VAL H H 1 9.00 0.05 . 1 . . . . . . . . 4896 1 397 . 1 1 55 55 VAL HA H 1 4.98 0.05 . 1 . . . . . . . . 4896 1 398 . 1 1 55 55 VAL HB H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 399 . 1 1 55 55 VAL C C 13 174.08 0.05 . 1 . . . . . . . . 4896 1 400 . 1 1 55 55 VAL CA C 13 59.77 0.05 . 1 . . . . . . . . 4896 1 401 . 1 1 55 55 VAL CB C 13 33.44 0.05 . 1 . . . . . . . . 4896 1 402 . 1 1 55 55 VAL N N 15 126.53 0.05 . 1 . . . . . . . . 4896 1 403 . 1 1 56 56 ILE H H 1 8.81 0.05 . 1 . . . . . . . . 4896 1 404 . 1 1 56 56 ILE HA H 1 4.78 0.05 . 1 . . . . . . . . 4896 1 405 . 1 1 56 56 ILE HB H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 406 . 1 1 56 56 ILE C C 13 174.08 0.05 . 1 . . . . . . . . 4896 1 407 . 1 1 56 56 ILE CA C 13 59.80 0.05 . 1 . . . . . . . . 4896 1 408 . 1 1 56 56 ILE CB C 13 39.11 0.05 . 1 . . . . . . . . 4896 1 409 . 1 1 56 56 ILE N N 15 125.25 0.05 . 1 . . . . . . . . 4896 1 410 . 1 1 57 57 SER H H 1 8.45 0.05 . 1 . . . . . . . . 4896 1 411 . 1 1 57 57 SER N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 412 . 1 1 62 62 PRO HA H 1 3.68 0.05 . 1 . . . . . . . . 4896 1 413 . 1 1 62 62 PRO HB2 H 1 2.36 0.05 . 2 . . . . . . . . 4896 1 414 . 1 1 62 62 PRO HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4896 1 415 . 1 1 62 62 PRO C C 13 177.37 0.05 . 1 . . . . . . . . 4896 1 416 . 1 1 62 62 PRO CA C 13 61.90 0.05 . 1 . . . . . . . . 4896 1 417 . 1 1 62 62 PRO CB C 13 31.37 0.05 . 1 . . . . . . . . 4896 1 418 . 1 1 63 63 LYS H H 1 9.24 0.05 . 1 . . . . . . . . 4896 1 419 . 1 1 63 63 LYS HA H 1 4.33 0.05 . 1 . . . . . . . . 4896 1 420 . 1 1 63 63 LYS HB2 H 1 2.14 0.05 . 2 . . . . . . . . 4896 1 421 . 1 1 63 63 LYS HB3 H 1 1.69 0.05 . 2 . . . . . . . . 4896 1 422 . 1 1 63 63 LYS C C 13 173.73 0.05 . 1 . . . . . . . . 4896 1 423 . 1 1 63 63 LYS CA C 13 56.20 0.05 . 1 . . . . . . . . 4896 1 424 . 1 1 63 63 LYS CB C 13 35.98 0.05 . 1 . . . . . . . . 4896 1 425 . 1 1 63 63 LYS N N 15 123.32 0.05 . 1 . . . . . . . . 4896 1 426 . 1 1 64 64 MET H H 1 8.23 0.05 . 1 . . . . . . . . 4896 1 427 . 1 1 64 64 MET N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 428 . 1 1 65 65 ASP HA H 1 4.56 0.05 . 1 . . . . . . . . 4896 1 429 . 1 1 65 65 ASP HB2 H 1 3.35 0.05 . 2 . . . . . . . . 4896 1 430 . 1 1 65 65 ASP HB3 H 1 2.70 0.05 . 2 . . . . . . . . 4896 1 431 . 1 1 65 65 ASP C C 13 176.50 0.05 . 1 . . . . . . . . 4896 1 432 . 1 1 65 65 ASP CA C 13 53.00 0.05 . 1 . . . . . . . . 4896 1 433 . 1 1 65 65 ASP CB C 13 41.22 0.05 . 1 . . . . . . . . 4896 1 434 . 1 1 66 66 GLY H H 1 9.53 0.05 . 1 . . . . . . . . 4896 1 435 . 1 1 66 66 GLY HA2 H 1 4.36 0.05 . 2 . . . . . . . . 4896 1 436 . 1 1 66 66 GLY HA3 H 1 3.97 0.05 . 2 . . . . . . . . 4896 1 437 . 1 1 66 66 GLY C C 13 176.32 0.05 . 1 . . . . . . . . 4896 1 438 . 1 1 66 66 GLY CA C 13 47.59 0.05 . 1 . . . . . . . . 4896 1 439 . 1 1 66 66 GLY N N 15 102.77 0.05 . 1 . . . . . . . . 4896 1 440 . 1 1 67 67 LEU H H 1 8.05 0.05 . 1 . . . . . . . . 4896 1 441 . 1 1 67 67 LEU HA H 1 4.29 0.05 . 1 . . . . . . . . 4896 1 442 . 1 1 67 67 LEU HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4896 1 443 . 1 1 67 67 LEU HB3 H 1 1.37 0.05 . 2 . . . . . . . . 4896 1 444 . 1 1 67 67 LEU C C 13 179.77 0.05 . 1 . . . . . . . . 4896 1 445 . 1 1 67 67 LEU CA C 13 56.89 0.05 . 1 . . . . . . . . 4896 1 446 . 1 1 67 67 LEU CB C 13 40.42 0.05 . 1 . . . . . . . . 4896 1 447 . 1 1 67 67 LEU N N 15 117.54 0.05 . 1 . . . . . . . . 4896 1 448 . 1 1 68 68 GLY H H 1 8.73 0.05 . 1 . . . . . . . . 4896 1 449 . 1 1 68 68 GLY HA2 H 1 4.22 0.05 . 2 . . . . . . . . 4896 1 450 . 1 1 68 68 GLY HA3 H 1 3.70 0.05 . 2 . . . . . . . . 4896 1 451 . 1 1 68 68 GLY C C 13 174.43 0.05 . 1 . . . . . . . . 4896 1 452 . 1 1 68 68 GLY CA C 13 46.92 0.05 . 1 . . . . . . . . 4896 1 453 . 1 1 68 68 GLY N N 15 111.76 0.05 . 1 . . . . . . . . 4896 1 454 . 1 1 69 69 LEU H H 1 8.57 0.05 . 1 . . . . . . . . 4896 1 455 . 1 1 69 69 LEU HA H 1 4.22 0.05 . 1 . . . . . . . . 4896 1 456 . 1 1 69 69 LEU HB2 H 1 1.71 0.05 . 1 . . . . . . . . 4896 1 457 . 1 1 69 69 LEU HB3 H 1 1.71 0.05 . 1 . . . . . . . . 4896 1 458 . 1 1 69 69 LEU C C 13 180.47 0.05 . 1 . . . . . . . . 4896 1 459 . 1 1 69 69 LEU CA C 13 58.05 0.05 . 1 . . . . . . . . 4896 1 460 . 1 1 69 69 LEU CB C 13 42.19 0.05 . 1 . . . . . . . . 4896 1 461 . 1 1 69 69 LEU N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 462 . 1 1 70 70 LEU H H 1 8.22 0.05 . 1 . . . . . . . . 4896 1 463 . 1 1 70 70 LEU HA H 1 3.03 0.05 . 1 . . . . . . . . 4896 1 464 . 1 1 70 70 LEU HB2 H 1 1.80 0.05 . 1 . . . . . . . . 4896 1 465 . 1 1 70 70 LEU HB3 H 1 1.80 0.05 . 1 . . . . . . . . 4896 1 466 . 1 1 70 70 LEU C C 13 177.19 0.05 . 1 . . . . . . . . 4896 1 467 . 1 1 70 70 LEU CA C 13 58.16 0.05 . 1 . . . . . . . . 4896 1 468 . 1 1 70 70 LEU CB C 13 40.77 0.05 . 1 . . . . . . . . 4896 1 469 . 1 1 70 70 LEU N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 470 . 1 1 71 71 GLN H H 1 8.01 0.05 . 1 . . . . . . . . 4896 1 471 . 1 1 71 71 GLN HA H 1 3.89 0.05 . 1 . . . . . . . . 4896 1 472 . 1 1 71 71 GLN HB2 H 1 2.15 0.05 . 1 . . . . . . . . 4896 1 473 . 1 1 71 71 GLN HB3 H 1 2.15 0.05 . 1 . . . . . . . . 4896 1 474 . 1 1 71 71 GLN C C 13 178.40 0.05 . 1 . . . . . . . . 4896 1 475 . 1 1 71 71 GLN CA C 13 59.17 0.05 . 1 . . . . . . . . 4896 1 476 . 1 1 71 71 GLN CB C 13 29.29 0.05 . 1 . . . . . . . . 4896 1 477 . 1 1 71 71 GLN N N 15 115.61 0.05 . 1 . . . . . . . . 4896 1 478 . 1 1 72 72 ALA H H 1 7.97 0.05 . 1 . . . . . . . . 4896 1 479 . 1 1 72 72 ALA HA H 1 4.12 0.05 . 1 . . . . . . . . 4896 1 480 . 1 1 72 72 ALA HB1 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 481 . 1 1 72 72 ALA HB2 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 482 . 1 1 72 72 ALA HB3 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 483 . 1 1 72 72 ALA C C 13 180.81 0.05 . 1 . . . . . . . . 4896 1 484 . 1 1 72 72 ALA CA C 13 55.19 0.05 . 1 . . . . . . . . 4896 1 485 . 1 1 72 72 ALA CB C 13 21.54 0.05 . 1 . . . . . . . . 4896 1 486 . 1 1 72 72 ALA N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 487 . 1 1 73 73 VAL H H 1 8.85 0.05 . 1 . . . . . . . . 4896 1 488 . 1 1 73 73 VAL HA H 1 4.14 0.05 . 1 . . . . . . . . 4896 1 489 . 1 1 73 73 VAL HB H 1 2.02 0.05 . 1 . . . . . . . . 4896 1 490 . 1 1 73 73 VAL C C 13 179.10 0.05 . 1 . . . . . . . . 4896 1 491 . 1 1 73 73 VAL CA C 13 65.42 0.05 . 1 . . . . . . . . 4896 1 492 . 1 1 73 73 VAL CB C 13 31.05 0.05 . 1 . . . . . . . . 4896 1 493 . 1 1 73 73 VAL N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 494 . 1 1 74 74 ARG H H 1 8.15 0.05 . 1 . . . . . . . . 4896 1 495 . 1 1 74 74 ARG HA H 1 4.10 0.05 . 1 . . . . . . . . 4896 1 496 . 1 1 74 74 ARG HB2 H 1 2.03 0.05 . 2 . . . . . . . . 4896 1 497 . 1 1 74 74 ARG HB3 H 1 1.71 0.05 . 2 . . . . . . . . 4896 1 498 . 1 1 74 74 ARG C C 13 176.32 0.05 . 1 . . . . . . . . 4896 1 499 . 1 1 74 74 ARG CA C 13 57.10 0.05 . 1 . . . . . . . . 4896 1 500 . 1 1 74 74 ARG CB C 13 29.37 0.05 . 1 . . . . . . . . 4896 1 501 . 1 1 74 74 ARG N N 15 115.61 0.05 . 1 . . . . . . . . 4896 1 502 . 1 1 75 75 ALA H H 1 7.52 0.05 . 1 . . . . . . . . 4896 1 503 . 1 1 75 75 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 4896 1 504 . 1 1 75 75 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 4896 1 505 . 1 1 75 75 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 4896 1 506 . 1 1 75 75 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 4896 1 507 . 1 1 75 75 ALA C C 13 177.35 0.05 . 1 . . . . . . . . 4896 1 508 . 1 1 75 75 ALA CA C 13 52.67 0.05 . 1 . . . . . . . . 4896 1 509 . 1 1 75 75 ALA CB C 13 20.50 0.05 . 1 . . . . . . . . 4896 1 510 . 1 1 75 75 ALA N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 511 . 1 1 76 76 ASN H H 1 6.96 0.05 . 1 . . . . . . . . 4896 1 512 . 1 1 76 76 ASN N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 513 . 1 1 77 77 PRO HA H 1 4.20 0.05 . 1 . . . . . . . . 4896 1 514 . 1 1 77 77 PRO HB2 H 1 2.47 0.05 . 2 . . . . . . . . 4896 1 515 . 1 1 77 77 PRO HB3 H 1 2.13 0.05 . 2 . . . . . . . . 4896 1 516 . 1 1 77 77 PRO C C 13 177.87 0.05 . 1 . . . . . . . . 4896 1 517 . 1 1 77 77 PRO CA C 13 65.52 0.05 . 1 . . . . . . . . 4896 1 518 . 1 1 77 77 PRO CB C 13 32.18 0.05 . 1 . . . . . . . . 4896 1 519 . 1 1 78 78 ALA H H 1 8.40 0.05 . 1 . . . . . . . . 4896 1 520 . 1 1 78 78 ALA HA H 1 4.41 0.05 . 1 . . . . . . . . 4896 1 521 . 1 1 78 78 ALA HB1 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 522 . 1 1 78 78 ALA HB2 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 523 . 1 1 78 78 ALA HB3 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 524 . 1 1 78 78 ALA C C 13 179.25 0.05 . 1 . . . . . . . . 4896 1 525 . 1 1 78 78 ALA CA C 13 53.66 0.05 . 1 . . . . . . . . 4896 1 526 . 1 1 78 78 ALA CB C 13 20.19 0.05 . 1 . . . . . . . . 4896 1 527 . 1 1 78 78 ALA N N 15 116.26 0.05 . 1 . . . . . . . . 4896 1 528 . 1 1 79 79 THR H H 1 7.82 0.05 . 1 . . . . . . . . 4896 1 529 . 1 1 79 79 THR HA H 1 4.64 0.05 . 1 . . . . . . . . 4896 1 530 . 1 1 79 79 THR C C 13 175.76 0.05 . 1 . . . . . . . . 4896 1 531 . 1 1 79 79 THR CA C 13 61.51 0.05 . 1 . . . . . . . . 4896 1 532 . 1 1 79 79 THR CB C 13 69.22 0.05 . 1 . . . . . . . . 4896 1 533 . 1 1 79 79 THR N N 15 104.69 0.05 . 1 . . . . . . . . 4896 1 534 . 1 1 80 80 LYS H H 1 7.47 0.05 . 1 . . . . . . . . 4896 1 535 . 1 1 80 80 LYS HA H 1 4.36 0.05 . 1 . . . . . . . . 4896 1 536 . 1 1 80 80 LYS HB2 H 1 1.94 0.05 . 1 . . . . . . . . 4896 1 537 . 1 1 80 80 LYS HB3 H 1 1.94 0.05 . 1 . . . . . . . . 4896 1 538 . 1 1 80 80 LYS C C 13 177.36 0.05 . 1 . . . . . . . . 4896 1 539 . 1 1 80 80 LYS CA C 13 59.80 0.05 . 1 . . . . . . . . 4896 1 540 . 1 1 80 80 LYS CB C 13 32.59 0.05 . 1 . . . . . . . . 4896 1 541 . 1 1 80 80 LYS N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 542 . 1 1 81 81 LYS H H 1 8.29 0.05 . 1 . . . . . . . . 4896 1 543 . 1 1 81 81 LYS HA H 1 4.40 0.05 . 1 . . . . . . . . 4896 1 544 . 1 1 81 81 LYS HB2 H 1 2.13 0.05 . 2 . . . . . . . . 4896 1 545 . 1 1 81 81 LYS HB3 H 1 1.78 0.05 . 2 . . . . . . . . 4896 1 546 . 1 1 81 81 LYS C C 13 176.66 0.05 . 1 . . . . . . . . 4896 1 547 . 1 1 81 81 LYS CA C 13 55.76 0.05 . 1 . . . . . . . . 4896 1 548 . 1 1 81 81 LYS CB C 13 31.84 0.05 . 1 . . . . . . . . 4896 1 549 . 1 1 81 81 LYS N N 15 117.54 0.05 . 1 . . . . . . . . 4896 1 550 . 1 1 82 82 ALA H H 1 7.94 0.05 . 1 . . . . . . . . 4896 1 551 . 1 1 82 82 ALA HA H 1 4.22 0.05 . 1 . . . . . . . . 4896 1 552 . 1 1 82 82 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4896 1 553 . 1 1 82 82 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4896 1 554 . 1 1 82 82 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4896 1 555 . 1 1 82 82 ALA C C 13 177.89 0.05 . 1 . . . . . . . . 4896 1 556 . 1 1 82 82 ALA CA C 13 53.42 0.05 . 1 . . . . . . . . 4896 1 557 . 1 1 82 82 ALA CB C 13 21.39 0.05 . 1 . . . . . . . . 4896 1 558 . 1 1 82 82 ALA N N 15 122.64 0.05 . 1 . . . . . . . . 4896 1 559 . 1 1 83 83 ALA H H 1 8.34 0.05 . 1 . . . . . . . . 4896 1 560 . 1 1 83 83 ALA HA H 1 4.73 0.05 . 1 . . . . . . . . 4896 1 561 . 1 1 83 83 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 562 . 1 1 83 83 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 563 . 1 1 83 83 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 564 . 1 1 83 83 ALA C C 13 176.50 0.05 . 1 . . . . . . . . 4896 1 565 . 1 1 83 83 ALA CA C 13 51.30 0.05 . 1 . . . . . . . . 4896 1 566 . 1 1 83 83 ALA CB C 13 21.52 0.05 . 1 . . . . . . . . 4896 1 567 . 1 1 83 83 ALA N N 15 125.25 0.05 . 1 . . . . . . . . 4896 1 568 . 1 1 84 84 PHE H H 1 9.57 0.05 . 1 . . . . . . . . 4896 1 569 . 1 1 84 84 PHE HA H 1 5.43 0.05 . 1 . . . . . . . . 4896 1 570 . 1 1 84 84 PHE HB2 H 1 3.32 0.05 . 2 . . . . . . . . 4896 1 571 . 1 1 84 84 PHE HB3 H 1 2.50 0.05 . 2 . . . . . . . . 4896 1 572 . 1 1 84 84 PHE C C 13 174.61 0.05 . 1 . . . . . . . . 4896 1 573 . 1 1 84 84 PHE CA C 13 56.24 0.05 . 1 . . . . . . . . 4896 1 574 . 1 1 84 84 PHE CB C 13 45.03 0.05 . 1 . . . . . . . . 4896 1 575 . 1 1 84 84 PHE N N 15 125.25 0.05 . 1 . . . . . . . . 4896 1 576 . 1 1 85 85 ILE H H 1 9.24 0.05 . 1 . . . . . . . . 4896 1 577 . 1 1 85 85 ILE HA H 1 4.79 0.05 . 1 . . . . . . . . 4896 1 578 . 1 1 85 85 ILE HB H 1 1.59 0.05 . 1 . . . . . . . . 4896 1 579 . 1 1 85 85 ILE C C 13 173.73 0.05 . 1 . . . . . . . . 4896 1 580 . 1 1 85 85 ILE CA C 13 59.83 0.05 . 1 . . . . . . . . 4896 1 581 . 1 1 85 85 ILE CB C 13 41.16 0.05 . 1 . . . . . . . . 4896 1 582 . 1 1 85 85 ILE N N 15 129.75 0.05 . 1 . . . . . . . . 4896 1 583 . 1 1 86 86 ILE H H 1 7.96 0.05 . 1 . . . . . . . . 4896 1 584 . 1 1 86 86 ILE HA H 1 5.30 0.05 . 1 . . . . . . . . 4896 1 585 . 1 1 86 86 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 4896 1 586 . 1 1 86 86 ILE C C 13 173.05 0.05 . 1 . . . . . . . . 4896 1 587 . 1 1 86 86 ILE CA C 13 57.83 0.05 . 1 . . . . . . . . 4896 1 588 . 1 1 86 86 ILE CB C 13 40.11 0.05 . 1 . . . . . . . . 4896 1 589 . 1 1 86 86 ILE N N 15 125.89 0.05 . 1 . . . . . . . . 4896 1 590 . 1 1 87 87 LEU H H 1 8.72 0.05 . 1 . . . . . . . . 4896 1 591 . 1 1 87 87 LEU HA H 1 5.40 0.05 . 1 . . . . . . . . 4896 1 592 . 1 1 87 87 LEU HB2 H 1 1.49 0.05 . 1 . . . . . . . . 4896 1 593 . 1 1 87 87 LEU HB3 H 1 1.49 0.05 . 1 . . . . . . . . 4896 1 594 . 1 1 87 87 LEU C C 13 175.45 0.05 . 1 . . . . . . . . 4896 1 595 . 1 1 87 87 LEU CA C 13 52.61 0.05 . 1 . . . . . . . . 4896 1 596 . 1 1 87 87 LEU CB C 13 43.85 0.05 . 1 . . . . . . . . 4896 1 597 . 1 1 87 87 LEU N N 15 129.10 0.05 . 1 . . . . . . . . 4896 1 598 . 1 1 88 88 THR H H 1 8.49 0.05 . 1 . . . . . . . . 4896 1 599 . 1 1 88 88 THR HA H 1 5.08 0.05 . 1 . . . . . . . . 4896 1 600 . 1 1 88 88 THR HB H 1 4.10 0.05 . 1 . . . . . . . . 4896 1 601 . 1 1 88 88 THR C C 13 172.87 0.05 . 1 . . . . . . . . 4896 1 602 . 1 1 88 88 THR CA C 13 59.41 0.05 . 1 . . . . . . . . 4896 1 603 . 1 1 88 88 THR CB C 13 70.74 0.05 . 1 . . . . . . . . 4896 1 604 . 1 1 88 88 THR N N 15 113.69 0.05 . 1 . . . . . . . . 4896 1 605 . 1 1 89 89 ALA H H 1 9.56 0.05 . 1 . . . . . . . . 4896 1 606 . 1 1 89 89 ALA HA H 1 4.77 0.05 . 1 . . . . . . . . 4896 1 607 . 1 1 89 89 ALA HB1 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 608 . 1 1 89 89 ALA HB2 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 609 . 1 1 89 89 ALA HB3 H 1 1.60 0.05 . 1 . . . . . . . . 4896 1 610 . 1 1 89 89 ALA C C 13 178.23 0.05 . 1 . . . . . . . . 4896 1 611 . 1 1 89 89 ALA CA C 13 52.10 0.05 . 1 . . . . . . . . 4896 1 612 . 1 1 89 89 ALA CB C 13 19.98 0.05 . 1 . . . . . . . . 4896 1 613 . 1 1 89 89 ALA N N 15 129.10 0.05 . 1 . . . . . . . . 4896 1 614 . 1 1 90 90 GLN H H 1 8.83 0.05 . 1 . . . . . . . . 4896 1 615 . 1 1 90 90 GLN HA H 1 4.38 0.05 . 1 . . . . . . . . 4896 1 616 . 1 1 90 90 GLN HB2 H 1 2.24 0.05 . 1 . . . . . . . . 4896 1 617 . 1 1 90 90 GLN HB3 H 1 2.24 0.05 . 1 . . . . . . . . 4896 1 618 . 1 1 90 90 GLN C C 13 176.32 0.05 . 1 . . . . . . . . 4896 1 619 . 1 1 90 90 GLN CA C 13 56.22 0.05 . 1 . . . . . . . . 4896 1 620 . 1 1 90 90 GLN CB C 13 28.84 0.05 . 1 . . . . . . . . 4896 1 621 . 1 1 90 90 GLN N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 622 . 1 1 91 91 GLY H H 1 8.64 0.05 . 1 . . . . . . . . 4896 1 623 . 1 1 91 91 GLY HA2 H 1 3.90 0.05 . 1 . . . . . . . . 4896 1 624 . 1 1 91 91 GLY HA3 H 1 3.90 0.05 . 1 . . . . . . . . 4896 1 625 . 1 1 91 91 GLY C C 13 173.90 0.05 . 1 . . . . . . . . 4896 1 626 . 1 1 91 91 GLY CA C 13 45.66 0.05 . 1 . . . . . . . . 4896 1 627 . 1 1 91 91 GLY N N 15 109.83 0.05 . 1 . . . . . . . . 4896 1 628 . 1 1 92 92 ASP H H 1 7.62 0.05 . 1 . . . . . . . . 4896 1 629 . 1 1 92 92 ASP HA H 1 4.68 0.05 . 1 . . . . . . . . 4896 1 630 . 1 1 92 92 ASP HB2 H 1 2.90 0.05 . 1 . . . . . . . . 4896 1 631 . 1 1 92 92 ASP HB3 H 1 2.90 0.05 . 1 . . . . . . . . 4896 1 632 . 1 1 92 92 ASP C C 13 175.80 0.05 . 1 . . . . . . . . 4896 1 633 . 1 1 92 92 ASP CA C 13 53.22 0.05 . 1 . . . . . . . . 4896 1 634 . 1 1 92 92 ASP CB C 13 41.20 0.05 . 1 . . . . . . . . 4896 1 635 . 1 1 92 92 ASP N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 636 . 1 1 93 93 ARG H H 1 8.43 0.05 . 1 . . . . . . . . 4896 1 637 . 1 1 93 93 ARG HA H 1 4.01 0.05 . 1 . . . . . . . . 4896 1 638 . 1 1 93 93 ARG HB2 H 1 1.93 0.05 . 1 . . . . . . . . 4896 1 639 . 1 1 93 93 ARG HB3 H 1 1.93 0.05 . 1 . . . . . . . . 4896 1 640 . 1 1 93 93 ARG C C 13 178.04 0.05 . 1 . . . . . . . . 4896 1 641 . 1 1 93 93 ARG CA C 13 58.92 0.05 . 1 . . . . . . . . 4896 1 642 . 1 1 93 93 ARG CB C 13 29.98 0.05 . 1 . . . . . . . . 4896 1 643 . 1 1 93 93 ARG N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 644 . 1 1 94 94 ALA H H 1 8.31 0.05 . 1 . . . . . . . . 4896 1 645 . 1 1 94 94 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4896 1 646 . 1 1 94 94 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 647 . 1 1 94 94 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 648 . 1 1 94 94 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 649 . 1 1 94 94 ALA C C 13 180.11 0.05 . 1 . . . . . . . . 4896 1 650 . 1 1 94 94 ALA CA C 13 54.73 0.05 . 1 . . . . . . . . 4896 1 651 . 1 1 94 94 ALA CB C 13 21.54 0.05 . 1 . . . . . . . . 4896 1 652 . 1 1 94 94 ALA N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 653 . 1 1 95 95 LEU H H 1 7.75 0.05 . 1 . . . . . . . . 4896 1 654 . 1 1 95 95 LEU HA H 1 4.00 0.05 . 1 . . . . . . . . 4896 1 655 . 1 1 95 95 LEU HB2 H 1 1.59 0.05 . 1 . . . . . . . . 4896 1 656 . 1 1 95 95 LEU HB3 H 1 1.59 0.05 . 1 . . . . . . . . 4896 1 657 . 1 1 95 95 LEU C C 13 178.25 0.05 . 1 . . . . . . . . 4896 1 658 . 1 1 95 95 LEU CA C 13 57.62 0.05 . 1 . . . . . . . . 4896 1 659 . 1 1 95 95 LEU CB C 13 40.84 0.05 . 1 . . . . . . . . 4896 1 660 . 1 1 95 95 LEU N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 661 . 1 1 96 96 VAL H H 1 7.68 0.05 . 1 . . . . . . . . 4896 1 662 . 1 1 96 96 VAL HA H 1 3.46 0.05 . 1 . . . . . . . . 4896 1 663 . 1 1 96 96 VAL HB H 1 2.15 0.05 . 1 . . . . . . . . 4896 1 664 . 1 1 96 96 VAL C C 13 178.20 0.05 . 1 . . . . . . . . 4896 1 665 . 1 1 96 96 VAL CA C 13 67.17 0.05 . 1 . . . . . . . . 4896 1 666 . 1 1 96 96 VAL CB C 13 31.42 0.05 . 1 . . . . . . . . 4896 1 667 . 1 1 96 96 VAL N N 15 117.54 0.05 . 1 . . . . . . . . 4896 1 668 . 1 1 97 97 GLN H H 1 7.95 0.05 . 1 . . . . . . . . 4896 1 669 . 1 1 97 97 GLN HA H 1 4.53 0.05 . 1 . . . . . . . . 4896 1 670 . 1 1 97 97 GLN HB2 H 1 2.32 0.05 . 1 . . . . . . . . 4896 1 671 . 1 1 97 97 GLN HB3 H 1 2.32 0.05 . 1 . . . . . . . . 4896 1 672 . 1 1 97 97 GLN C C 13 180.99 0.05 . 1 . . . . . . . . 4896 1 673 . 1 1 97 97 GLN CA C 13 59.27 0.05 . 1 . . . . . . . . 4896 1 674 . 1 1 97 97 GLN CB C 13 28.18 0.05 . 1 . . . . . . . . 4896 1 675 . 1 1 97 97 GLN N N 15 116.90 0.05 . 1 . . . . . . . . 4896 1 676 . 1 1 98 98 LYS H H 1 8.24 0.05 . 1 . . . . . . . . 4896 1 677 . 1 1 98 98 LYS HA H 1 4.11 0.05 . 1 . . . . . . . . 4896 1 678 . 1 1 98 98 LYS HB2 H 1 2.35 0.05 . 1 . . . . . . . . 4896 1 679 . 1 1 98 98 LYS HB3 H 1 2.35 0.05 . 1 . . . . . . . . 4896 1 680 . 1 1 98 98 LYS C C 13 178.10 0.05 . 1 . . . . . . . . 4896 1 681 . 1 1 98 98 LYS CA C 13 59.11 0.05 . 1 . . . . . . . . 4896 1 682 . 1 1 98 98 LYS CB C 13 28.32 0.05 . 1 . . . . . . . . 4896 1 683 . 1 1 98 98 LYS N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 684 . 1 1 99 99 ALA H H 1 7.67 0.05 . 1 . . . . . . . . 4896 1 685 . 1 1 99 99 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4896 1 686 . 1 1 99 99 ALA HB1 H 1 1.56 0.05 . 1 . . . . . . . . 4896 1 687 . 1 1 99 99 ALA HB2 H 1 1.56 0.05 . 1 . . . . . . . . 4896 1 688 . 1 1 99 99 ALA HB3 H 1 1.56 0.05 . 1 . . . . . . . . 4896 1 689 . 1 1 99 99 ALA C C 13 179.43 0.05 . 1 . . . . . . . . 4896 1 690 . 1 1 99 99 ALA CA C 13 54.68 0.05 . 1 . . . . . . . . 4896 1 691 . 1 1 99 99 ALA CB C 13 21.74 0.05 . 1 . . . . . . . . 4896 1 692 . 1 1 99 99 ALA N N 15 116.90 0.05 . 1 . . . . . . . . 4896 1 693 . 1 1 100 100 ALA H H 1 7.59 0.05 . 1 . . . . . . . . 4896 1 694 . 1 1 100 100 ALA HA H 1 3.76 0.05 . 1 . . . . . . . . 4896 1 695 . 1 1 100 100 ALA HB1 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 696 . 1 1 100 100 ALA HB2 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 697 . 1 1 100 100 ALA HB3 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 698 . 1 1 100 100 ALA C C 13 179.45 0.05 . 1 . . . . . . . . 4896 1 699 . 1 1 100 100 ALA CA C 13 54.69 0.05 . 1 . . . . . . . . 4896 1 700 . 1 1 100 100 ALA CB C 13 22.07 0.05 . 1 . . . . . . . . 4896 1 701 . 1 1 100 100 ALA N N 15 116.26 0.05 . 1 . . . . . . . . 4896 1 702 . 1 1 101 101 ALA H H 1 8.03 0.05 . 1 . . . . . . . . 4896 1 703 . 1 1 101 101 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 4896 1 704 . 1 1 101 101 ALA HB1 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 705 . 1 1 101 101 ALA HB2 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 706 . 1 1 101 101 ALA HB3 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 707 . 1 1 101 101 ALA C C 13 181.33 0.05 . 1 . . . . . . . . 4896 1 708 . 1 1 101 101 ALA CA C 13 55.10 0.05 . 1 . . . . . . . . 4896 1 709 . 1 1 101 101 ALA CB C 13 22.05 0.05 . 1 . . . . . . . . 4896 1 710 . 1 1 101 101 ALA N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 711 . 1 1 102 102 LEU H H 1 7.85 0.05 . 1 . . . . . . . . 4896 1 712 . 1 1 102 102 LEU HA H 1 4.31 0.05 . 1 . . . . . . . . 4896 1 713 . 1 1 102 102 LEU HB2 H 1 2.24 0.05 . 2 . . . . . . . . 4896 1 714 . 1 1 102 102 LEU HB3 H 1 1.70 0.05 . 2 . . . . . . . . 4896 1 715 . 1 1 102 102 LEU C C 13 176.67 0.05 . 1 . . . . . . . . 4896 1 716 . 1 1 102 102 LEU CA C 13 54.77 0.05 . 1 . . . . . . . . 4896 1 717 . 1 1 102 102 LEU CB C 13 42.72 0.05 . 1 . . . . . . . . 4896 1 718 . 1 1 102 102 LEU N N 15 121.39 0.05 . 1 . . . . . . . . 4896 1 719 . 1 1 103 103 GLY H H 1 7.59 0.05 . 1 . . . . . . . . 4896 1 720 . 1 1 103 103 GLY HA2 H 1 4.23 0.05 . 2 . . . . . . . . 4896 1 721 . 1 1 103 103 GLY HA3 H 1 3.82 0.05 . 2 . . . . . . . . 4896 1 722 . 1 1 103 103 GLY C C 13 175.98 0.05 . 1 . . . . . . . . 4896 1 723 . 1 1 103 103 GLY CA C 13 45.84 0.05 . 1 . . . . . . . . 4896 1 724 . 1 1 103 103 GLY N N 15 103.41 0.05 . 1 . . . . . . . . 4896 1 725 . 1 1 104 104 ALA H H 1 8.56 0.05 . 1 . . . . . . . . 4896 1 726 . 1 1 104 104 ALA HA H 1 4.11 0.05 . 1 . . . . . . . . 4896 1 727 . 1 1 104 104 ALA HB1 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 728 . 1 1 104 104 ALA HB2 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 729 . 1 1 104 104 ALA HB3 H 1 1.27 0.05 . 1 . . . . . . . . 4896 1 730 . 1 1 104 104 ALA C C 13 176.67 0.05 . 1 . . . . . . . . 4896 1 731 . 1 1 104 104 ALA CA C 13 53.10 0.05 . 1 . . . . . . . . 4896 1 732 . 1 1 104 104 ALA CB C 13 21.89 0.05 . 1 . . . . . . . . 4896 1 733 . 1 1 104 104 ALA N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 734 . 1 1 105 105 ASN H H 1 9.37 0.05 . 1 . . . . . . . . 4896 1 735 . 1 1 105 105 ASN HA H 1 4.61 0.05 . 1 . . . . . . . . 4896 1 736 . 1 1 105 105 ASN HB2 H 1 2.89 0.05 . 2 . . . . . . . . 4896 1 737 . 1 1 105 105 ASN HB3 H 1 2.23 0.05 . 2 . . . . . . . . 4896 1 738 . 1 1 105 105 ASN C C 13 174.66 0.05 . 1 . . . . . . . . 4896 1 739 . 1 1 105 105 ASN CA C 13 56.17 0.05 . 1 . . . . . . . . 4896 1 740 . 1 1 105 105 ASN CB C 13 39.07 0.05 . 1 . . . . . . . . 4896 1 741 . 1 1 105 105 ASN N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 742 . 1 1 106 106 ASN H H 1 7.77 0.05 . 1 . . . . . . . . 4896 1 743 . 1 1 106 106 ASN HA H 1 4.78 0.05 . 1 . . . . . . . . 4896 1 744 . 1 1 106 106 ASN HB2 H 1 2.80 0.05 . 2 . . . . . . . . 4896 1 745 . 1 1 106 106 ASN HB3 H 1 2.36 0.05 . 2 . . . . . . . . 4896 1 746 . 1 1 106 106 ASN C C 13 172.87 0.05 . 1 . . . . . . . . 4896 1 747 . 1 1 106 106 ASN CA C 13 52.04 0.05 . 1 . . . . . . . . 4896 1 748 . 1 1 106 106 ASN CB C 13 41.86 0.05 . 1 . . . . . . . . 4896 1 749 . 1 1 106 106 ASN N N 15 111.12 0.05 . 1 . . . . . . . . 4896 1 750 . 1 1 107 107 VAL H H 1 8.47 0.05 . 1 . . . . . . . . 4896 1 751 . 1 1 107 107 VAL HA H 1 4.99 0.05 . 1 . . . . . . . . 4896 1 752 . 1 1 107 107 VAL HB H 1 2.03 0.05 . 1 . . . . . . . . 4896 1 753 . 1 1 107 107 VAL C C 13 173.90 0.05 . 1 . . . . . . . . 4896 1 754 . 1 1 107 107 VAL CA C 13 60.96 0.05 . 1 . . . . . . . . 4896 1 755 . 1 1 107 107 VAL CB C 13 33.87 0.05 . 1 . . . . . . . . 4896 1 756 . 1 1 107 107 VAL N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 757 . 1 1 108 108 LEU H H 1 9.18 0.05 . 1 . . . . . . . . 4896 1 758 . 1 1 108 108 LEU HA H 1 4.65 0.05 . 1 . . . . . . . . 4896 1 759 . 1 1 108 108 LEU HB2 H 1 1.55 0.05 . 2 . . . . . . . . 4896 1 760 . 1 1 108 108 LEU HB3 H 1 1.26 0.05 . 2 . . . . . . . . 4896 1 761 . 1 1 108 108 LEU C C 13 174.26 0.05 . 1 . . . . . . . . 4896 1 762 . 1 1 108 108 LEU CA C 13 53.27 0.05 . 1 . . . . . . . . 4896 1 763 . 1 1 108 108 LEU CB C 13 45.54 0.05 . 1 . . . . . . . . 4896 1 764 . 1 1 108 108 LEU N N 15 127.18 0.05 . 1 . . . . . . . . 4896 1 765 . 1 1 109 109 ALA H H 1 8.24 0.05 . 1 . . . . . . . . 4896 1 766 . 1 1 109 109 ALA HA H 1 4.97 0.05 . 1 . . . . . . . . 4896 1 767 . 1 1 109 109 ALA HB1 H 1 1.34 0.05 . 1 . . . . . . . . 4896 1 768 . 1 1 109 109 ALA HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4896 1 769 . 1 1 109 109 ALA HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4896 1 770 . 1 1 109 109 ALA C C 13 176.66 0.05 . 1 . . . . . . . . 4896 1 771 . 1 1 109 109 ALA CA C 13 51.05 0.05 . 1 . . . . . . . . 4896 1 772 . 1 1 109 109 ALA CB C 13 19.98 0.05 . 1 . . . . . . . . 4896 1 773 . 1 1 109 109 ALA N N 15 124.61 0.05 . 1 . . . . . . . . 4896 1 774 . 1 1 110 110 LYS H H 1 7.63 0.05 . 1 . . . . . . . . 4896 1 775 . 1 1 110 110 LYS N N 15 118.82 0.05 . 1 . . . . . . . . 4896 1 776 . 1 1 111 111 PRO HA H 1 4.54 0.05 . 1 . . . . . . . . 4896 1 777 . 1 1 111 111 PRO HB2 H 1 2.34 0.05 . 2 . . . . . . . . 4896 1 778 . 1 1 111 111 PRO C C 13 175.44 0.05 . 1 . . . . . . . . 4896 1 779 . 1 1 111 111 PRO CA C 13 62.05 0.05 . 1 . . . . . . . . 4896 1 780 . 1 1 111 111 PRO CB C 13 34.32 0.05 . 1 . . . . . . . . 4896 1 781 . 1 1 112 112 PHE H H 1 7.82 0.05 . 1 . . . . . . . . 4896 1 782 . 1 1 112 112 PHE HA H 1 5.12 0.05 . 1 . . . . . . . . 4896 1 783 . 1 1 112 112 PHE HB2 H 1 3.23 0.05 . 1 . . . . . . . . 4896 1 784 . 1 1 112 112 PHE HB3 H 1 3.23 0.05 . 1 . . . . . . . . 4896 1 785 . 1 1 112 112 PHE C C 13 174.76 0.05 . 1 . . . . . . . . 4896 1 786 . 1 1 112 112 PHE CA C 13 55.78 0.05 . 1 . . . . . . . . 4896 1 787 . 1 1 112 112 PHE CB C 13 40.34 0.05 . 1 . . . . . . . . 4896 1 788 . 1 1 112 112 PHE N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 789 . 1 1 113 113 THR H H 1 7.31 0.05 . 1 . . . . . . . . 4896 1 790 . 1 1 113 113 THR HA H 1 4.75 0.05 . 1 . . . . . . . . 4896 1 791 . 1 1 113 113 THR C C 13 175.81 0.05 . 1 . . . . . . . . 4896 1 792 . 1 1 113 113 THR CA C 13 58.84 0.05 . 1 . . . . . . . . 4896 1 793 . 1 1 113 113 THR CB C 13 71.29 0.05 . 1 . . . . . . . . 4896 1 794 . 1 1 113 113 THR N N 15 109.19 0.05 . 1 . . . . . . . . 4896 1 795 . 1 1 114 114 ILE H H 1 9.29 0.05 . 1 . . . . . . . . 4896 1 796 . 1 1 114 114 ILE HA H 1 3.90 0.05 . 1 . . . . . . . . 4896 1 797 . 1 1 114 114 ILE HB H 1 2.04 0.05 . 1 . . . . . . . . 4896 1 798 . 1 1 114 114 ILE C C 13 177.02 0.05 . 1 . . . . . . . . 4896 1 799 . 1 1 114 114 ILE CA C 13 64.97 0.05 . 1 . . . . . . . . 4896 1 800 . 1 1 114 114 ILE CB C 13 37.2 0.05 . 1 . . . . . . . . 4896 1 801 . 1 1 114 114 ILE N N 15 124.61 0.05 . 1 . . . . . . . . 4896 1 802 . 1 1 115 115 GLU H H 1 8.93 0.05 . 1 . . . . . . . . 4896 1 803 . 1 1 115 115 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4896 1 804 . 1 1 115 115 GLU HB2 H 1 2.07 0.05 . 1 . . . . . . . . 4896 1 805 . 1 1 115 115 GLU HB3 H 1 2.07 0.05 . 1 . . . . . . . . 4896 1 806 . 1 1 115 115 GLU C C 13 179.77 0.05 . 1 . . . . . . . . 4896 1 807 . 1 1 115 115 GLU CA C 13 60.40 0.05 . 1 . . . . . . . . 4896 1 808 . 1 1 115 115 GLU CB C 13 28.91 0.05 . 1 . . . . . . . . 4896 1 809 . 1 1 115 115 GLU N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 810 . 1 1 116 116 LYS H H 1 7.73 0.05 . 1 . . . . . . . . 4896 1 811 . 1 1 116 116 LYS HA H 1 4.00 0.05 . 1 . . . . . . . . 4896 1 812 . 1 1 116 116 LYS HB2 H 1 2.04 0.05 . 1 . . . . . . . . 4896 1 813 . 1 1 116 116 LYS HB3 H 1 2.04 0.05 . 1 . . . . . . . . 4896 1 814 . 1 1 116 116 LYS C C 13 179.62 0.05 . 1 . . . . . . . . 4896 1 815 . 1 1 116 116 LYS CA C 13 58.90 0.05 . 1 . . . . . . . . 4896 1 816 . 1 1 116 116 LYS CB C 13 32.76 0.05 . 1 . . . . . . . . 4896 1 817 . 1 1 116 116 LYS N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 818 . 1 1 117 117 MET H H 1 8.26 0.05 . 1 . . . . . . . . 4896 1 819 . 1 1 117 117 MET HA H 1 4.23 0.05 . 1 . . . . . . . . 4896 1 820 . 1 1 117 117 MET HB2 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 821 . 1 1 117 117 MET HB3 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 822 . 1 1 117 117 MET C C 13 176.84 0.05 . 1 . . . . . . . . 4896 1 823 . 1 1 117 117 MET CA C 13 57.83 0.05 . 1 . . . . . . . . 4896 1 824 . 1 1 117 117 MET CB C 13 31.50 0.05 . 1 . . . . . . . . 4896 1 825 . 1 1 117 117 MET N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 826 . 1 1 118 118 LYS H H 1 9.01 0.05 . 1 . . . . . . . . 4896 1 827 . 1 1 118 118 LYS HA H 1 3.71 0.05 . 1 . . . . . . . . 4896 1 828 . 1 1 118 118 LYS HB2 H 1 1.93 0.05 . 1 . . . . . . . . 4896 1 829 . 1 1 118 118 LYS HB3 H 1 1.93 0.05 . 1 . . . . . . . . 4896 1 830 . 1 1 118 118 LYS C C 13 177.53 0.05 . 1 . . . . . . . . 4896 1 831 . 1 1 118 118 LYS CA C 13 60.51 0.05 . 1 . . . . . . . . 4896 1 832 . 1 1 118 118 LYS CB C 13 32.86 0.05 . 1 . . . . . . . . 4896 1 833 . 1 1 118 118 LYS N N 15 119.47 0.05 . 1 . . . . . . . . 4896 1 834 . 1 1 119 119 ALA H H 1 7.79 0.05 . 1 . . . . . . . . 4896 1 835 . 1 1 119 119 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 4896 1 836 . 1 1 119 119 ALA HB1 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 837 . 1 1 119 119 ALA HB2 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 838 . 1 1 119 119 ALA HB3 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 839 . 1 1 119 119 ALA C C 13 180.59 0.05 . 1 . . . . . . . . 4896 1 840 . 1 1 119 119 ALA CA C 13 54.67 0.05 . 1 . . . . . . . . 4896 1 841 . 1 1 119 119 ALA CB C 13 21.36 0.05 . 1 . . . . . . . . 4896 1 842 . 1 1 119 119 ALA N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 843 . 1 1 120 120 ALA H H 1 7.87 0.05 . 1 . . . . . . . . 4896 1 844 . 1 1 120 120 ALA HA H 1 4.22 0.05 . 1 . . . . . . . . 4896 1 845 . 1 1 120 120 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 846 . 1 1 120 120 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 847 . 1 1 120 120 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4896 1 848 . 1 1 120 120 ALA C C 13 179.61 0.05 . 1 . . . . . . . . 4896 1 849 . 1 1 120 120 ALA CA C 13 54.41 0.05 . 1 . . . . . . . . 4896 1 850 . 1 1 120 120 ALA CB C 13 21.11 0.05 . 1 . . . . . . . . 4896 1 851 . 1 1 120 120 ALA N N 15 120.11 0.05 . 1 . . . . . . . . 4896 1 852 . 1 1 121 121 ILE H H 1 8.11 0.05 . 1 . . . . . . . . 4896 1 853 . 1 1 121 121 ILE HA H 1 3.68 0.05 . 1 . . . . . . . . 4896 1 854 . 1 1 121 121 ILE HB H 1 1.91 0.05 . 1 . . . . . . . . 4896 1 855 . 1 1 121 121 ILE C C 13 179.26 0.05 . 1 . . . . . . . . 4896 1 856 . 1 1 121 121 ILE CA C 13 65.80 0.05 . 1 . . . . . . . . 4896 1 857 . 1 1 121 121 ILE CB C 13 38.32 0.05 . 1 . . . . . . . . 4896 1 858 . 1 1 121 121 ILE N N 15 116.90 0.05 . 1 . . . . . . . . 4896 1 859 . 1 1 122 122 GLU H H 1 9.14 0.05 . 1 . . . . . . . . 4896 1 860 . 1 1 122 122 GLU HA H 1 4.39 0.05 . 1 . . . . . . . . 4896 1 861 . 1 1 122 122 GLU HB2 H 1 2.13 0.05 . 2 . . . . . . . . 4896 1 862 . 1 1 122 122 GLU HB3 H 1 1.74 0.05 . 2 . . . . . . . . 4896 1 863 . 1 1 122 122 GLU C C 13 179.80 0.05 . 1 . . . . . . . . 4896 1 864 . 1 1 122 122 GLU CA C 13 58.99 0.05 . 1 . . . . . . . . 4896 1 865 . 1 1 122 122 GLU CB C 13 29.30 0.05 . 1 . . . . . . . . 4896 1 866 . 1 1 122 122 GLU N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 867 . 1 1 123 123 ALA H H 1 7.81 0.05 . 1 . . . . . . . . 4896 1 868 . 1 1 123 123 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 4896 1 869 . 1 1 123 123 ALA HB1 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 870 . 1 1 123 123 ALA HB2 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 871 . 1 1 123 123 ALA HB3 H 1 1.58 0.05 . 1 . . . . . . . . 4896 1 872 . 1 1 123 123 ALA C C 13 178.42 0.05 . 1 . . . . . . . . 4896 1 873 . 1 1 123 123 ALA CA C 13 54.65 0.05 . 1 . . . . . . . . 4896 1 874 . 1 1 123 123 ALA CB C 13 21.52 0.05 . 1 . . . . . . . . 4896 1 875 . 1 1 123 123 ALA N N 15 120.75 0.05 . 1 . . . . . . . . 4896 1 876 . 1 1 124 124 VAL H H 1 7.22 0.05 . 1 . . . . . . . . 4896 1 877 . 1 1 124 124 VAL HA H 1 3.89 0.05 . 1 . . . . . . . . 4896 1 878 . 1 1 124 124 VAL HB H 1 1.94 0.05 . 1 . . . . . . . . 4896 1 879 . 1 1 124 124 VAL C C 13 177.17 0.05 . 1 . . . . . . . . 4896 1 880 . 1 1 124 124 VAL CA C 13 64.11 0.05 . 1 . . . . . . . . 4896 1 881 . 1 1 124 124 VAL CB C 13 32.89 0.05 . 1 . . . . . . . . 4896 1 882 . 1 1 124 124 VAL N N 15 114.33 0.05 . 1 . . . . . . . . 4896 1 883 . 1 1 125 125 PHE H H 1 8.11 0.05 . 1 . . . . . . . . 4896 1 884 . 1 1 125 125 PHE HA H 1 4.34 0.05 . 1 . . . . . . . . 4896 1 885 . 1 1 125 125 PHE HB2 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 886 . 1 1 125 125 PHE HB3 H 1 2.14 0.05 . 1 . . . . . . . . 4896 1 887 . 1 1 125 125 PHE C C 13 176.15 0.05 . 1 . . . . . . . . 4896 1 888 . 1 1 125 125 PHE CA C 13 59.74 0.05 . 1 . . . . . . . . 4896 1 889 . 1 1 125 125 PHE CB C 13 41.70 0.05 . 1 . . . . . . . . 4896 1 890 . 1 1 125 125 PHE N N 15 114.33 0.05 . 1 . . . . . . . . 4896 1 891 . 1 1 126 126 GLY H H 1 8.51 0.05 . 1 . . . . . . . . 4896 1 892 . 1 1 126 126 GLY HA2 H 1 4.31 0.05 . 2 . . . . . . . . 4896 1 893 . 1 1 126 126 GLY HA3 H 1 3.68 0.05 . 2 . . . . . . . . 4896 1 894 . 1 1 126 126 GLY C C 13 170.80 0.05 . 1 . . . . . . . . 4896 1 895 . 1 1 126 126 GLY CA C 13 43.80 0.05 . 1 . . . . . . . . 4896 1 896 . 1 1 126 126 GLY N N 15 109.83 0.05 . 1 . . . . . . . . 4896 1 897 . 1 1 127 127 ALA H H 1 7.78 0.05 . 1 . . . . . . . . 4896 1 898 . 1 1 127 127 ALA HA H 1 4.01 0.05 . 1 . . . . . . . . 4896 1 899 . 1 1 127 127 ALA HB1 H 1 1.38 0.05 . 1 . . . . . . . . 4896 1 900 . 1 1 127 127 ALA HB2 H 1 1.38 0.05 . 1 . . . . . . . . 4896 1 901 . 1 1 127 127 ALA HB3 H 1 1.38 0.05 . 1 . . . . . . . . 4896 1 902 . 1 1 127 127 ALA C C 13 179.25 0.05 . 1 . . . . . . . . 4896 1 903 . 1 1 127 127 ALA CA C 13 52.63 0.05 . 1 . . . . . . . . 4896 1 904 . 1 1 127 127 ALA CB C 13 20.46 0.05 . 1 . . . . . . . . 4896 1 905 . 1 1 127 127 ALA N N 15 118.18 0.05 . 1 . . . . . . . . 4896 1 906 . 1 1 128 128 LEU H H 1 9.19 0.05 . 1 . . . . . . . . 4896 1 907 . 1 1 128 128 LEU HA H 1 4.21 0.05 . 1 . . . . . . . . 4896 1 908 . 1 1 128 128 LEU HB2 H 1 1.82 0.05 . 2 . . . . . . . . 4896 1 909 . 1 1 128 128 LEU HB3 H 1 1.49 0.05 . 2 . . . . . . . . 4896 1 910 . 1 1 128 128 LEU C C 13 176.33 0.05 . 1 . . . . . . . . 4896 1 911 . 1 1 128 128 LEU CA C 13 55.67 0.05 . 1 . . . . . . . . 4896 1 912 . 1 1 128 128 LEU CB C 13 42.17 0.05 . 1 . . . . . . . . 4896 1 913 . 1 1 128 128 LEU N N 15 122.04 0.05 . 1 . . . . . . . . 4896 1 914 . 1 1 129 129 LYS H H 1 7.52 0.05 . 1 . . . . . . . . 4896 1 915 . 1 1 129 129 LYS N N 15 123.96 0.05 . 1 . . . . . . . . 4896 1 stop_ save_