data_16947 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16947 _Entry.Title ; Backbone structure of the membrane domain of E. coli histidine kinase receptor ArcB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-24 _Entry.Accession_date 2010-05-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Innokentiy Maslennikov . . . 16947 2 Christian Klammt . . . 16947 3 Eunha Hwang . . . 16947 4 Georgia Kefala . . . 16947 5 Witek Kwiatkowski . . . 16947 6 'Young Ho' Jeon . . . 16947 7 Senyon Choe . . . 16947 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Center for Structures of Membrane Proteins' . 16947 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Structures of Membrane Proteins' . 16947 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell-free synthesis' . 16947 'Histidine kinase receptor' . 16947 'membrane domain' . 16947 'two-helical hairpin' . 16947 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16947 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 16947 '15N chemical shifts' 108 16947 '1H chemical shifts' 491 16947 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-09 2010-05-24 update BMRB 'complete entry citation' 16947 1 . . 2010-06-15 2010-05-24 original author 'original release' 16947 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KSD 'BMRB Entry Tracking System' 16947 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16947 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20498088 _Citation.Full_citation . _Citation.Title 'Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 24 _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 10902 _Citation.Page_last 10907 _Citation.Year 2010 _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 Innokentiy Maslennikov . . . 16947 1 2 Christian Klammt . . . 16947 1 3 Eunha Hwang . . . 16947 1 4 Georgia Kefala . . . 16947 1 5 Mizuki Okamura . . . 16947 1 6 Luis Esquivies . . . 16947 1 7 Karsten Mors . . . 16947 1 8 Clemens Glaubitz . . . 16947 1 9 Witek Kwiatkowski . . . 16947 1 10 'Young Ho' Jeon . . . 16947 1 11 Senyon Choe . . . 16947 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16947 _Assembly.ID 1 _Assembly.Name 'histidine kinase receptor ArcB' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ArcB 1 $ArcB A . yes native no no . . . 16947 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ArcB _Entity.Sf_category entity _Entity.Sf_framecode ArcB _Entity.Entry_ID 16947 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ArcB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKQIRLLAQYYVDLMMKLGL VRFSMLLALALVVLAIVVQM AVTMVLHGQVESIDVIRSIF FGLLITPWAVYFLSVVVEQL EESRQRLSRLVQKLEEMRER DLSLNVQLKDNIAQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The membrane domain of ArcB' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment ArcB(1-115) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8483.369 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KSD . "Backbone Structure Of The Membrane Domain Of E. Coli Histidine Kinase Receptor Arcb, Center For Structures Of Membrane Proteins" . . . . . 100.00 115 100.00 100.00 3.05e-72 . . . . 16947 1 2 no DBJ BAB37512 . "aerobic respiration sensor-response protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 778 100.00 100.00 3.60e-66 . . . . 16947 1 3 no DBJ BAE77254 . "hybrid sensory histidine kinase in two-component regulatory system with ArcA [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 4 no DBJ BAG79018 . "aerobic respiration sensor-response protein [Escherichia coli SE11]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 5 no DBJ BAH65394 . "aerobic respiration sensor-response protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 779 97.39 98.26 4.00e-56 . . . . 16947 1 6 no DBJ BAI27488 . "hybrid sensory histidine kinase ArcB in two-component regulatory system with ArcA [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 7 no EMBL CAA37397 . "arcB [Escherichia coli]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 8 no EMBL CAD07845 . "aerobic respiration control sensor protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 778 98.26 99.13 4.48e-65 . . . . 16947 1 9 no EMBL CAP77670 . "aerobic respiration control sensor protein arcB [Escherichia coli LF82]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 10 no EMBL CAQ33543 . "ArcB sensory histidine kinase [Escherichia coli BL21(DE3)]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 11 no EMBL CAQ90680 . "hybrid sensory histidine kinase in two-component regulatory system with ArcA [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 778 100.00 100.00 6.55e-66 . . . . 16947 1 12 no GB AAA58012 . "protein kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 776 100.00 100.00 4.41e-66 . . . . 16947 1 13 no GB AAG58344 . "aerobic respiration sensor-response protein; histidine protein kinase/phosphatase, sensor for arcA [Escherichia coli O157:H7 st" . . . . . 100.00 778 100.00 100.00 3.60e-66 . . . . 16947 1 14 no GB AAL22197 . "sensory histidine kinase in two-component regulatory system with ArcA [Salmonella enterica subsp. enterica serovar Typhimurium " . . . . . 100.00 778 98.26 99.13 4.22e-65 . . . . 16947 1 15 no GB AAN44715 . "histidine protein kinase/phosphatase, aerobic respiration sensor-response protein, sensor for arcA [Shigella flexneri 2a str. 3" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 16 no GB AAN82410 . "Aerobic respiration control sensor protein arcB [Escherichia coli CFT073]" . . . . . 100.00 778 100.00 100.00 4.23e-66 . . . . 16947 1 17 no PIR AG0906 . "aerobic respiration control sensor protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 778 98.26 99.13 4.48e-65 . . . . 16947 1 18 no REF NP_312116 . "aerobic respiration control sensor protein ArcB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 778 100.00 100.00 3.60e-66 . . . . 16947 1 19 no REF NP_457707 . "aerobic respiration control sensor protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 778 98.26 99.13 4.48e-65 . . . . 16947 1 20 no REF NP_462238 . "aerobic respiration control sensor histidine kinase ArcB [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 778 98.26 99.13 4.22e-65 . . . . 16947 1 21 no REF NP_709008 . "aerobic respiration control sensor protein ArcB [Shigella flexneri 2a str. 301]" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 22 no REF WP_000809745 . "hybrid sensor histidine kinase/response regulator [Escherichia sp. 3_2_53FAA]" . . . . . 100.00 778 99.13 100.00 6.04e-66 . . . . 16947 1 23 no SP P0AEC3 . "RecName: Full=Aerobic respiration control sensor protein ArcB" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 24 no SP P0AEC4 . "RecName: Full=Aerobic respiration control sensor protein ArcB" . . . . . 100.00 778 100.00 100.00 3.86e-66 . . . . 16947 1 25 no SP P58363 . "RecName: Full=Aerobic respiration control sensor protein ArcB" . . . . . 100.00 778 100.00 100.00 3.60e-66 . . . . 16947 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 . 16947 1 2 . LYS . 16947 1 3 . GLN . 16947 1 4 . ILE . 16947 1 5 . ARG . 16947 1 6 . LEU . 16947 1 7 . LEU . 16947 1 8 . ALA . 16947 1 9 . GLN . 16947 1 10 . TYR . 16947 1 11 . TYR . 16947 1 12 . VAL . 16947 1 13 . ASP . 16947 1 14 . LEU . 16947 1 15 . MET . 16947 1 16 . MET . 16947 1 17 . LYS . 16947 1 18 . LEU . 16947 1 19 . GLY . 16947 1 20 . LEU . 16947 1 21 . VAL . 16947 1 22 . ARG . 16947 1 23 . PHE . 16947 1 24 . SER . 16947 1 25 . MET . 16947 1 26 . LEU . 16947 1 27 . LEU . 16947 1 28 . ALA . 16947 1 29 . LEU . 16947 1 30 . ALA . 16947 1 31 . LEU . 16947 1 32 . VAL . 16947 1 33 . VAL . 16947 1 34 . LEU . 16947 1 35 . ALA . 16947 1 36 . ILE . 16947 1 37 . VAL . 16947 1 38 . VAL . 16947 1 39 . GLN . 16947 1 40 . MET . 16947 1 41 . ALA . 16947 1 42 . VAL . 16947 1 43 . THR . 16947 1 44 . MET . 16947 1 45 . VAL . 16947 1 46 . LEU . 16947 1 47 . HIS . 16947 1 48 . GLY . 16947 1 49 . GLN . 16947 1 50 . VAL . 16947 1 51 . GLU . 16947 1 52 . SER . 16947 1 53 . ILE . 16947 1 54 . ASP . 16947 1 55 . VAL . 16947 1 56 . ILE . 16947 1 57 . ARG . 16947 1 58 . SER . 16947 1 59 . ILE . 16947 1 60 . PHE . 16947 1 61 . PHE . 16947 1 62 . GLY . 16947 1 63 . LEU . 16947 1 64 . LEU . 16947 1 65 . ILE . 16947 1 66 . THR . 16947 1 67 . PRO . 16947 1 68 . TRP . 16947 1 69 . ALA . 16947 1 70 . VAL . 16947 1 71 . TYR . 16947 1 72 . PHE . 16947 1 73 . LEU . 16947 1 74 . SER . 16947 1 75 . VAL . 16947 1 76 . VAL . 16947 1 77 . VAL . 16947 1 78 . GLU . 16947 1 79 . GLN . 16947 1 80 . LEU . 16947 1 81 . GLU . 16947 1 82 . GLU . 16947 1 83 . SER . 16947 1 84 . ARG . 16947 1 85 . GLN . 16947 1 86 . ARG . 16947 1 87 . LEU . 16947 1 88 . SER . 16947 1 89 . ARG . 16947 1 90 . LEU . 16947 1 91 . VAL . 16947 1 92 . GLN . 16947 1 93 . LYS . 16947 1 94 . LEU . 16947 1 95 . GLU . 16947 1 96 . GLU . 16947 1 97 . MET . 16947 1 98 . ARG . 16947 1 99 . GLU . 16947 1 100 . ARG . 16947 1 101 . ASP . 16947 1 102 . LEU . 16947 1 103 . SER . 16947 1 104 . LEU . 16947 1 105 . ASN . 16947 1 106 . VAL . 16947 1 107 . GLN . 16947 1 108 . LEU . 16947 1 109 . LYS . 16947 1 110 . ASP . 16947 1 111 . ASN . 16947 1 112 . ILE . 16947 1 113 . ALA . 16947 1 114 . GLN . 16947 1 115 . LEU . 16947 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 16947 1 . LYS 2 2 16947 1 . GLN 3 3 16947 1 . ILE 4 4 16947 1 . ARG 5 5 16947 1 . LEU 6 6 16947 1 . LEU 7 7 16947 1 . ALA 8 8 16947 1 . GLN 9 9 16947 1 . TYR 10 10 16947 1 . TYR 11 11 16947 1 . VAL 12 12 16947 1 . ASP 13 13 16947 1 . LEU 14 14 16947 1 . MET 15 15 16947 1 . MET 16 16 16947 1 . LYS 17 17 16947 1 . LEU 18 18 16947 1 . GLY 19 19 16947 1 . LEU 20 20 16947 1 . VAL 21 21 16947 1 . ARG 22 22 16947 1 . PHE 23 23 16947 1 . SER 24 24 16947 1 . MET 25 25 16947 1 . LEU 26 26 16947 1 . LEU 27 27 16947 1 . ALA 28 28 16947 1 . LEU 29 29 16947 1 . ALA 30 30 16947 1 . LEU 31 31 16947 1 . VAL 32 32 16947 1 . VAL 33 33 16947 1 . LEU 34 34 16947 1 . ALA 35 35 16947 1 . ILE 36 36 16947 1 . VAL 37 37 16947 1 . VAL 38 38 16947 1 . GLN 39 39 16947 1 . MET 40 40 16947 1 . ALA 41 41 16947 1 . VAL 42 42 16947 1 . THR 43 43 16947 1 . MET 44 44 16947 1 . VAL 45 45 16947 1 . LEU 46 46 16947 1 . HIS 47 47 16947 1 . GLY 48 48 16947 1 . GLN 49 49 16947 1 . VAL 50 50 16947 1 . GLU 51 51 16947 1 . SER 52 52 16947 1 . ILE 53 53 16947 1 . ASP 54 54 16947 1 . VAL 55 55 16947 1 . ILE 56 56 16947 1 . ARG 57 57 16947 1 . SER 58 58 16947 1 . ILE 59 59 16947 1 . PHE 60 60 16947 1 . PHE 61 61 16947 1 . GLY 62 62 16947 1 . LEU 63 63 16947 1 . LEU 64 64 16947 1 . ILE 65 65 16947 1 . THR 66 66 16947 1 . PRO 67 67 16947 1 . TRP 68 68 16947 1 . ALA 69 69 16947 1 . VAL 70 70 16947 1 . TYR 71 71 16947 1 . PHE 72 72 16947 1 . LEU 73 73 16947 1 . SER 74 74 16947 1 . VAL 75 75 16947 1 . VAL 76 76 16947 1 . VAL 77 77 16947 1 . GLU 78 78 16947 1 . GLN 79 79 16947 1 . LEU 80 80 16947 1 . GLU 81 81 16947 1 . GLU 82 82 16947 1 . SER 83 83 16947 1 . ARG 84 84 16947 1 . GLN 85 85 16947 1 . ARG 86 86 16947 1 . LEU 87 87 16947 1 . SER 88 88 16947 1 . ARG 89 89 16947 1 . LEU 90 90 16947 1 . VAL 91 91 16947 1 . GLN 92 92 16947 1 . LYS 93 93 16947 1 . LEU 94 94 16947 1 . GLU 95 95 16947 1 . GLU 96 96 16947 1 . MET 97 97 16947 1 . ARG 98 98 16947 1 . GLU 99 99 16947 1 . ARG 100 100 16947 1 . ASP 101 101 16947 1 . LEU 102 102 16947 1 . SER 103 103 16947 1 . LEU 104 104 16947 1 . ASN 105 105 16947 1 . VAL 106 106 16947 1 . GLN 107 107 16947 1 . LEU 108 108 16947 1 . LYS 109 109 16947 1 . ASP 110 110 16947 1 . ASN 111 111 16947 1 . ILE 112 112 16947 1 . ALA 113 113 16947 1 . GLN 114 114 16947 1 . LEU 115 115 16947 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 16947 _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 $ArcB . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . arcB . . . . 16947 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 16947 _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 $ArcB . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pIVEX2.3 . . . . . . 16947 1 2 1 $ArcB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHIS8 . . . . . . 16947 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_EC _Sample.Sf_category sample _Sample.Sf_framecode sample_EC _Sample.Entry_ID 16947 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'Protein expressed in E. coli' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 16947 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16947 1 3 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] 'natural abundance' . . . . . . 200 . . mM . . . . 16947 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16947 1 5 Protein '[U-98% 13C; U-98% 15N]' . . 1 $ArcB . . 0.5 . . mM . . . . 16947 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16947 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16947 1 stop_ save_ save_sample_CF _Sample.Sf_category sample _Sample.Sf_framecode sample_CF _Sample.Entry_ID 16947 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'Protein expressed in CF system' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 16947 2 2 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] 'natural abundance' . . . . . . 100 . . mM . . . . 16947 2 3 Mes-BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 16947 2 4 Protein '[U-99% 13C; U-99% 15N]' . . 1 $ArcB . . 0.3 . . mM . . . . 16947 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16947 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16947 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_EC _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_EC _Sample_condition_list.Entry_ID 16947 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 16947 1 pressure 1 . atm 16947 1 temperature 318 . K 16947 1 stop_ save_ save_sample_conditions_CF _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_CF _Sample_condition_list.Entry_ID 16947 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 16947 2 pressure 1 . atm 16947 2 temperature 318 . K 16947 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16947 _Software.ID 1 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16947 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16947 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16947 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16947 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16947 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16947 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16947 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16947 3 'peak picking' 16947 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16947 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16947 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization and analysis' 16947 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16947 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16947 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16947 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 16947 1 2 spectrometer_2 Bruker Avance . 700 . . . 16947 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 16947 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_EC isotropic . . 1 $sample_conditions_EC . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16947 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_EC isotropic . . 1 $sample_conditions_EC . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16947 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_CF isotropic . . 2 $sample_conditions_CF . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16947 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16947 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal direct 0.251449530 . . . . . . . . . 16947 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 16947 1 N 15 water protons . . . . ppm 4.7 internal direct 0.101329118 . . . . . . . . . 16947 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16947 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_CF _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 16947 1 4 '3D 1H-15N NOESY' . . . 16947 1 5 '3D HNCA' . . . 16947 1 6 '3D HNCO' . . . 16947 1 7 '3D HNCACB' . . . 16947 1 8 '3D HN(CO)CA' . . . 16947 1 9 '3D HN(CA)CO' . . . 16947 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 16947 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 1 1 MET C C 13 178.081 0.010 . 1 . . . . 1 MET C . 16947 1 2 . 1 1 1 1 MET CA C 13 55.362 0.010 . 1 . . . . 1 MET CA . 16947 1 3 . 1 1 1 1 MET CB C 13 31.100 0.010 . 1 . . . . 1 MET CB . 16947 1 4 . 1 1 2 2 LYS H H 1 8.697 0.010 . 1 . . . . 2 LYS H . 16947 1 5 . 1 1 2 2 LYS HA H 1 4.107 0.010 . 1 . . . . 2 LYS HA . 16947 1 6 . 1 1 2 2 LYS HB2 H 1 1.891 0.010 . 2 . . . . 2 LYS HB . 16947 1 7 . 1 1 2 2 LYS HB3 H 1 1.891 0.010 . 2 . . . . 2 LYS HB . 16947 1 8 . 1 1 2 2 LYS HG2 H 1 2.003 0.010 . 2 . . . . 2 LYS HG . 16947 1 9 . 1 1 2 2 LYS HG3 H 1 2.003 0.010 . 2 . . . . 2 LYS HG . 16947 1 10 . 1 1 2 2 LYS C C 13 178.636 0.010 . 1 . . . . 2 LYS C . 16947 1 11 . 1 1 2 2 LYS CA C 13 58.923 0.010 . 1 . . . . 2 LYS CA . 16947 1 12 . 1 1 2 2 LYS CB C 13 31.043 0.010 . 1 . . . . 2 LYS CB . 16947 1 13 . 1 1 2 2 LYS N N 15 120.191 0.010 . 1 . . . . 2 LYS N . 16947 1 14 . 1 1 3 3 GLN H H 1 8.151 0.010 . 1 . . . . 3 GLN H . 16947 1 15 . 1 1 3 3 GLN HA H 1 4.242 0.010 . 1 . . . . 3 GLN HA . 16947 1 16 . 1 1 3 3 GLN HB2 H 1 2.114 0.010 . 2 . . . . 3 GLN HB . 16947 1 17 . 1 1 3 3 GLN HB3 H 1 2.114 0.010 . 2 . . . . 3 GLN HB . 16947 1 18 . 1 1 3 3 GLN HG2 H 1 2.385 0.010 . 2 . . . . 3 GLN HG . 16947 1 19 . 1 1 3 3 GLN HG3 H 1 2.385 0.010 . 2 . . . . 3 GLN HG . 16947 1 20 . 1 1 3 3 GLN C C 13 178.135 0.010 . 1 . . . . 3 GLN C . 16947 1 21 . 1 1 3 3 GLN CA C 13 58.664 0.010 . 1 . . . . 3 GLN CA . 16947 1 22 . 1 1 3 3 GLN CB C 13 26.965 0.010 . 1 . . . . 3 GLN CB . 16947 1 23 . 1 1 3 3 GLN N N 15 118.562 0.010 . 1 . . . . 3 GLN N . 16947 1 24 . 1 1 4 4 ILE H H 1 8.021 0.010 . 1 . . . . 4 ILE H . 16947 1 25 . 1 1 4 4 ILE HA H 1 3.898 0.010 . 1 . . . . 4 ILE HA . 16947 1 26 . 1 1 4 4 ILE HB H 1 1.827 0.010 . 1 . . . . 4 ILE HB . 16947 1 27 . 1 1 4 4 ILE C C 13 177.322 0.010 . 1 . . . . 4 ILE C . 16947 1 28 . 1 1 4 4 ILE CA C 13 63.719 0.010 . 1 . . . . 4 ILE CA . 16947 1 29 . 1 1 4 4 ILE CB C 13 36.097 0.010 . 1 . . . . 4 ILE CB . 16947 1 30 . 1 1 4 4 ILE N N 15 119.555 0.010 . 1 . . . . 4 ILE N . 16947 1 31 . 1 1 5 5 ARG H H 1 8.168 0.010 . 1 . . . . 5 ARG H . 16947 1 32 . 1 1 5 5 ARG HA H 1 4.054 0.010 . 1 . . . . 5 ARG HA . 16947 1 33 . 1 1 5 5 ARG HB2 H 1 2.034 0.010 . 2 . . . . 5 ARG HB . 16947 1 34 . 1 1 5 5 ARG HB3 H 1 2.034 0.010 . 2 . . . . 5 ARG HB . 16947 1 35 . 1 1 5 5 ARG C C 13 178.572 0.010 . 1 . . . . 5 ARG C . 16947 1 36 . 1 1 5 5 ARG CA C 13 59.153 0.010 . 1 . . . . 5 ARG CA . 16947 1 37 . 1 1 5 5 ARG CB C 13 28.631 0.010 . 1 . . . . 5 ARG CB . 16947 1 38 . 1 1 5 5 ARG N N 15 119.812 0.010 . 1 . . . . 5 ARG N . 16947 1 39 . 1 1 6 6 LEU H H 1 7.736 0.010 . 1 . . . . 6 LEU H . 16947 1 40 . 1 1 6 6 LEU HA H 1 4.236 0.010 . 1 . . . . 6 LEU HA . 16947 1 41 . 1 1 6 6 LEU HB2 H 1 1.979 0.010 . 2 . . . . 6 LEU HB . 16947 1 42 . 1 1 6 6 LEU HB3 H 1 1.979 0.010 . 2 . . . . 6 LEU HB . 16947 1 43 . 1 1 6 6 LEU HD11 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 44 . 1 1 6 6 LEU HD12 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 45 . 1 1 6 6 LEU HD13 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 46 . 1 1 6 6 LEU HD21 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 47 . 1 1 6 6 LEU HD22 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 48 . 1 1 6 6 LEU HD23 H 1 1.030 0.010 . 2 . . . . 6 LEU HD . 16947 1 49 . 1 1 6 6 LEU HG H 1 1.787 0.010 . 1 . . . . 6 LEU HG . 16947 1 50 . 1 1 6 6 LEU C C 13 179.222 0.010 . 1 . . . . 6 LEU C . 16947 1 51 . 1 1 6 6 LEU CA C 13 57.114 0.010 . 1 . . . . 6 LEU CA . 16947 1 52 . 1 1 6 6 LEU CB C 13 40.692 0.010 . 1 . . . . 6 LEU CB . 16947 1 53 . 1 1 6 6 LEU N N 15 120.236 0.010 . 1 . . . . 6 LEU N . 16947 1 54 . 1 1 7 7 LEU H H 1 8.086 0.010 . 1 . . . . 7 LEU H . 16947 1 55 . 1 1 7 7 LEU HA H 1 4.226 0.010 . 1 . . . . 7 LEU HA . 16947 1 56 . 1 1 7 7 LEU HB2 H 1 2.018 0.010 . 2 . . . . 7 LEU HB . 16947 1 57 . 1 1 7 7 LEU HB3 H 1 2.018 0.010 . 2 . . . . 7 LEU HB . 16947 1 58 . 1 1 7 7 LEU HD11 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 59 . 1 1 7 7 LEU HD12 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 60 . 1 1 7 7 LEU HD13 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 61 . 1 1 7 7 LEU HD21 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 62 . 1 1 7 7 LEU HD22 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 63 . 1 1 7 7 LEU HD23 H 1 1.038 0.010 . 2 . . . . 7 LEU HD . 16947 1 64 . 1 1 7 7 LEU HG H 1 1.827 0.010 . 1 . . . . 7 LEU HG . 16947 1 65 . 1 1 7 7 LEU C C 13 178.552 0.010 . 1 . . . . 7 LEU C . 16947 1 66 . 1 1 7 7 LEU CA C 13 57.449 0.010 . 1 . . . . 7 LEU CA . 16947 1 67 . 1 1 7 7 LEU CB C 13 40.749 0.010 . 1 . . . . 7 LEU CB . 16947 1 68 . 1 1 7 7 LEU N N 15 120.223 0.010 . 1 . . . . 7 LEU N . 16947 1 69 . 1 1 8 8 ALA H H 1 8.460 0.010 . 1 . . . . 8 ALA H . 16947 1 70 . 1 1 8 8 ALA HA H 1 4.211 0.010 . 1 . . . . 8 ALA HA . 16947 1 71 . 1 1 8 8 ALA HB1 H 1 1.632 0.010 . 1 . . . . 8 ALA HB . 16947 1 72 . 1 1 8 8 ALA HB2 H 1 1.632 0.010 . 1 . . . . 8 ALA HB . 16947 1 73 . 1 1 8 8 ALA HB3 H 1 1.632 0.010 . 1 . . . . 8 ALA HB . 16947 1 74 . 1 1 8 8 ALA C C 13 179.007 0.010 . 1 . . . . 8 ALA C . 16947 1 75 . 1 1 8 8 ALA CA C 13 54.993 0.010 . 1 . . . . 8 ALA CA . 16947 1 76 . 1 1 8 8 ALA CB C 13 17.546 0.010 . 1 . . . . 8 ALA CB . 16947 1 77 . 1 1 8 8 ALA N N 15 120.526 0.010 . 1 . . . . 8 ALA N . 16947 1 78 . 1 1 9 9 GLN H H 1 8.041 0.010 . 1 . . . . 9 GLN H . 16947 1 79 . 1 1 9 9 GLN HA H 1 4.049 0.010 . 1 . . . . 9 GLN HA . 16947 1 80 . 1 1 9 9 GLN HB2 H 1 2.291 0.010 . 2 . . . . 9 GLN HB . 16947 1 81 . 1 1 9 9 GLN HB3 H 1 2.291 0.010 . 2 . . . . 9 GLN HB . 16947 1 82 . 1 1 9 9 GLN HG2 H 1 2.496 0.010 . 2 . . . . 9 GLN HG . 16947 1 83 . 1 1 9 9 GLN HG3 H 1 2.496 0.010 . 2 . . . . 9 GLN HG . 16947 1 84 . 1 1 9 9 GLN C C 13 178.049 0.010 . 1 . . . . 9 GLN C . 16947 1 85 . 1 1 9 9 GLN CA C 13 58.425 0.010 . 1 . . . . 9 GLN CA . 16947 1 86 . 1 1 9 9 GLN CB C 13 27.654 0.010 . 1 . . . . 9 GLN CB . 16947 1 87 . 1 1 9 9 GLN N N 15 117.031 0.010 . 1 . . . . 9 GLN N . 16947 1 88 . 1 1 10 10 TYR H H 1 8.060 0.010 . 1 . . . . 10 TYR H . 16947 1 89 . 1 1 10 10 TYR HA H 1 4.234 0.010 . 1 . . . . 10 TYR HA . 16947 1 90 . 1 1 10 10 TYR HB2 H 1 3.612 0.010 . 2 . . . . 10 TYR HB . 16947 1 91 . 1 1 10 10 TYR HB3 H 1 3.612 0.010 . 2 . . . . 10 TYR HB . 16947 1 92 . 1 1 10 10 TYR C C 13 177.995 0.010 . 1 . . . . 10 TYR C . 16947 1 93 . 1 1 10 10 TYR CA C 13 60.335 0.010 . 1 . . . . 10 TYR CA . 16947 1 94 . 1 1 10 10 TYR CB C 13 37.131 0.010 . 1 . . . . 10 TYR CB . 16947 1 95 . 1 1 10 10 TYR N N 15 119.338 0.010 . 1 . . . . 10 TYR N . 16947 1 96 . 1 1 11 11 TYR H H 1 8.275 0.010 . 1 . . . . 11 TYR H . 16947 1 97 . 1 1 11 11 TYR HA H 1 4.349 0.010 . 1 . . . . 11 TYR HA . 16947 1 98 . 1 1 11 11 TYR C C 13 177.101 0.010 . 1 . . . . 11 TYR C . 16947 1 99 . 1 1 11 11 TYR CA C 13 61.713 0.010 . 1 . . . . 11 TYR CA . 16947 1 100 . 1 1 11 11 TYR CB C 13 37.361 0.010 . 1 . . . . 11 TYR CB . 16947 1 101 . 1 1 11 11 TYR N N 15 119.234 0.010 . 1 . . . . 11 TYR N . 16947 1 102 . 1 1 12 12 VAL H H 1 8.357 0.010 . 1 . . . . 12 VAL H . 16947 1 103 . 1 1 12 12 VAL HB H 1 1.843 0.010 . 1 . . . . 12 VAL HB . 16947 1 104 . 1 1 12 12 VAL HG11 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 105 . 1 1 12 12 VAL HG12 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 106 . 1 1 12 12 VAL HG13 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 107 . 1 1 12 12 VAL HG21 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 108 . 1 1 12 12 VAL HG22 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 109 . 1 1 12 12 VAL HG23 H 1 1.050 0.010 . 2 . . . . 12 VAL HG . 16947 1 110 . 1 1 12 12 VAL C C 13 177.928 0.010 . 1 . . . . 12 VAL C . 16947 1 111 . 1 1 12 12 VAL CA C 13 66.480 0.010 . 1 . . . . 12 VAL CA . 16947 1 112 . 1 1 12 12 VAL CB C 13 30.181 0.010 . 1 . . . . 12 VAL CB . 16947 1 113 . 1 1 12 12 VAL N N 15 120.273 0.010 . 1 . . . . 12 VAL N . 16947 1 114 . 1 1 13 13 ASP H H 1 8.229 0.010 . 1 . . . . 13 ASP H . 16947 1 115 . 1 1 13 13 ASP C C 13 178.458 0.010 . 1 . . . . 13 ASP C . 16947 1 116 . 1 1 13 13 ASP CA C 13 55.994 0.010 . 1 . . . . 13 ASP CA . 16947 1 117 . 1 1 13 13 ASP CB C 13 38.050 0.010 . 1 . . . . 13 ASP CB . 16947 1 118 . 1 1 13 13 ASP N N 15 119.461 0.010 . 1 . . . . 13 ASP N . 16947 1 119 . 1 1 14 14 LEU H H 1 8.097 0.010 . 1 . . . . 14 LEU H . 16947 1 120 . 1 1 14 14 LEU HA H 1 4.039 0.010 . 1 . . . . 14 LEU HA . 16947 1 121 . 1 1 14 14 LEU C C 13 178.684 0.010 . 1 . . . . 14 LEU C . 16947 1 122 . 1 1 14 14 LEU CA C 13 57.286 0.010 . 1 . . . . 14 LEU CA . 16947 1 123 . 1 1 14 14 LEU CB C 13 40.864 0.010 . 1 . . . . 14 LEU CB . 16947 1 124 . 1 1 14 14 LEU N N 15 121.016 0.010 . 1 . . . . 14 LEU N . 16947 1 125 . 1 1 15 15 MET H H 1 8.227 0.010 . 1 . . . . 15 MET H . 16947 1 126 . 1 1 15 15 MET C C 13 179.029 0.010 . 1 . . . . 15 MET C . 16947 1 127 . 1 1 15 15 MET CA C 13 58.210 0.010 . 1 . . . . 15 MET CA . 16947 1 128 . 1 1 15 15 MET N N 15 119.202 0.010 . 1 . . . . 15 MET N . 16947 1 129 . 1 1 16 16 MET H H 1 8.268 0.010 . 1 . . . . 16 MET H . 16947 1 130 . 1 1 16 16 MET C C 13 178.813 0.010 . 1 . . . . 16 MET C . 16947 1 131 . 1 1 16 16 MET CA C 13 57.068 0.010 . 1 . . . . 16 MET CA . 16947 1 132 . 1 1 16 16 MET N N 15 117.775 0.010 . 1 . . . . 16 MET N . 16947 1 133 . 1 1 17 17 LYS HA H 1 4.419 0.010 . 1 . . . . 17 LYS HA . 16947 1 134 . 1 1 17 17 LYS C C 13 178.250 0.010 . 1 . . . . 17 LYS C . 16947 1 135 . 1 1 17 17 LYS CA C 13 57.889 0.010 . 1 . . . . 17 LYS CA . 16947 1 136 . 1 1 18 18 LEU H H 1 8.084 0.010 . 1 . . . . 18 LEU H . 16947 1 137 . 1 1 18 18 LEU HA H 1 4.220 0.010 . 1 . . . . 18 LEU HA . 16947 1 138 . 1 1 18 18 LEU HB2 H 1 2.032 0.010 . 2 . . . . 18 LEU HB . 16947 1 139 . 1 1 18 18 LEU HB3 H 1 2.032 0.010 . 2 . . . . 18 LEU HB . 16947 1 140 . 1 1 18 18 LEU HD11 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 141 . 1 1 18 18 LEU HD12 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 142 . 1 1 18 18 LEU HD13 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 143 . 1 1 18 18 LEU HD21 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 144 . 1 1 18 18 LEU HD22 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 145 . 1 1 18 18 LEU HD23 H 1 0.990 0.010 . 2 . . . . 18 LEU HD . 16947 1 146 . 1 1 18 18 LEU CA C 13 55.410 0.010 . 1 . . . . 18 LEU CA . 16947 1 147 . 1 1 18 18 LEU CB C 13 42.415 0.010 . 1 . . . . 18 LEU CB . 16947 1 148 . 1 1 18 18 LEU N N 15 117.110 0.010 . 1 . . . . 18 LEU N . 16947 1 149 . 1 1 19 19 GLY H H 1 7.868 0.010 . 1 . . . . 19 GLY H . 16947 1 150 . 1 1 19 19 GLY HA2 H 1 4.471 0.010 . 2 . . . . 19 GLY HA2 . 16947 1 151 . 1 1 19 19 GLY HA3 H 1 4.051 0.010 . 2 . . . . 19 GLY HA3 . 16947 1 152 . 1 1 19 19 GLY CA C 13 44.540 0.010 . 1 . . . . 19 GLY CA . 16947 1 153 . 1 1 19 19 GLY N N 15 108.175 0.010 . 1 . . . . 19 GLY N . 16947 1 154 . 1 1 20 20 LEU H H 1 8.385 0.010 . 1 . . . . 20 LEU H . 16947 1 155 . 1 1 20 20 LEU HA H 1 4.760 0.010 . 1 . . . . 20 LEU HA . 16947 1 156 . 1 1 20 20 LEU HB2 H 1 1.746 0.010 . 2 . . . . 20 LEU HB . 16947 1 157 . 1 1 20 20 LEU HB3 H 1 1.746 0.010 . 2 . . . . 20 LEU HB . 16947 1 158 . 1 1 20 20 LEU CA C 13 56.999 0.010 . 1 . . . . 20 LEU CA . 16947 1 159 . 1 1 20 20 LEU CB C 13 41.663 0.010 . 1 . . . . 20 LEU CB . 16947 1 160 . 1 1 20 20 LEU N N 15 120.055 0.010 . 1 . . . . 20 LEU N . 16947 1 161 . 1 1 24 24 SER H H 1 8.347 0.010 . 1 . . . . 24 SER H . 16947 1 162 . 1 1 24 24 SER CA C 13 62.168 0.010 . 1 . . . . 24 SER CA . 16947 1 163 . 1 1 24 24 SER CB C 13 64.987 0.010 . 1 . . . . 24 SER CB . 16947 1 164 . 1 1 24 24 SER N N 15 115.435 0.010 . 1 . . . . 24 SER N . 16947 1 165 . 1 1 25 25 MET HB2 H 1 2.273 0.010 . 2 . . . . 25 MET HB . 16947 1 166 . 1 1 25 25 MET HB3 H 1 2.273 0.010 . 2 . . . . 25 MET HB . 16947 1 167 . 1 1 25 25 MET C C 13 177.219 0.010 . 1 . . . . 25 MET C . 16947 1 168 . 1 1 25 25 MET CA C 13 58.463 0.010 . 1 . . . . 25 MET CA . 16947 1 169 . 1 1 26 26 LEU H H 1 7.851 0.010 . 1 . . . . 26 LEU H . 16947 1 170 . 1 1 26 26 LEU HA H 1 4.230 0.010 . 1 . . . . 26 LEU HA . 16947 1 171 . 1 1 26 26 LEU HB2 H 1 1.867 0.010 . 2 . . . . 26 LEU HB . 16947 1 172 . 1 1 26 26 LEU HB3 H 1 1.867 0.010 . 2 . . . . 26 LEU HB . 16947 1 173 . 1 1 26 26 LEU CA C 13 57.171 0.010 . 1 . . . . 26 LEU CA . 16947 1 174 . 1 1 26 26 LEU CB C 13 40.577 0.010 . 1 . . . . 26 LEU CB . 16947 1 175 . 1 1 26 26 LEU N N 15 119.549 0.010 . 1 . . . . 26 LEU N . 16947 1 176 . 1 1 27 27 LEU H H 1 8.305 0.010 . 1 . . . . 27 LEU H . 16947 1 177 . 1 1 27 27 LEU HA H 1 4.276 0.010 . 1 . . . . 27 LEU HA . 16947 1 178 . 1 1 27 27 LEU HB2 H 1 1.935 0.010 . 2 . . . . 27 LEU HB . 16947 1 179 . 1 1 27 27 LEU HB3 H 1 1.935 0.010 . 2 . . . . 27 LEU HB . 16947 1 180 . 1 1 27 27 LEU CA C 13 56.609 0.010 . 1 . . . . 27 LEU CA . 16947 1 181 . 1 1 27 27 LEU CB C 13 39.562 0.010 . 1 . . . . 27 LEU CB . 16947 1 182 . 1 1 27 27 LEU N N 15 119.492 0.010 . 1 . . . . 27 LEU N . 16947 1 183 . 1 1 28 28 ALA H H 1 8.255 0.010 . 1 . . . . 28 ALA H . 16947 1 184 . 1 1 28 28 ALA HA H 1 4.207 0.010 . 1 . . . . 28 ALA HA . 16947 1 185 . 1 1 28 28 ALA HB1 H 1 1.602 0.010 . 1 . . . . 28 ALA HB . 16947 1 186 . 1 1 28 28 ALA HB2 H 1 1.602 0.010 . 1 . . . . 28 ALA HB . 16947 1 187 . 1 1 28 28 ALA HB3 H 1 1.602 0.010 . 1 . . . . 28 ALA HB . 16947 1 188 . 1 1 28 28 ALA C C 13 178.932 0.010 . 1 . . . . 28 ALA C . 16947 1 189 . 1 1 28 28 ALA CA C 13 54.821 0.010 . 1 . . . . 28 ALA CA . 16947 1 190 . 1 1 28 28 ALA CB C 13 17.488 0.010 . 1 . . . . 28 ALA CB . 16947 1 191 . 1 1 28 28 ALA N N 15 120.360 0.010 . 1 . . . . 28 ALA N . 16947 1 192 . 1 1 29 29 LEU H H 1 7.981 0.010 . 1 . . . . 29 LEU H . 16947 1 193 . 1 1 29 29 LEU HA H 1 4.001 0.010 . 1 . . . . 29 LEU HA . 16947 1 194 . 1 1 29 29 LEU HB2 H 1 1.825 0.010 . 2 . . . . 29 LEU HB . 16947 1 195 . 1 1 29 29 LEU HB3 H 1 1.825 0.010 . 2 . . . . 29 LEU HB . 16947 1 196 . 1 1 29 29 LEU HD11 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 197 . 1 1 29 29 LEU HD12 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 198 . 1 1 29 29 LEU HD13 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 199 . 1 1 29 29 LEU HD21 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 200 . 1 1 29 29 LEU HD22 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 201 . 1 1 29 29 LEU HD23 H 1 0.940 0.010 . 2 . . . . 29 LEU HD . 16947 1 202 . 1 1 29 29 LEU HG H 1 1.523 0.010 . 1 . . . . 29 LEU HG . 16947 1 203 . 1 1 29 29 LEU C C 13 178.102 0.010 . 1 . . . . 29 LEU C . 16947 1 204 . 1 1 29 29 LEU CA C 13 57.401 0.010 . 1 . . . . 29 LEU CA . 16947 1 205 . 1 1 29 29 LEU CB C 13 40.635 0.010 . 1 . . . . 29 LEU CB . 16947 1 206 . 1 1 29 29 LEU N N 15 116.785 0.010 . 1 . . . . 29 LEU N . 16947 1 207 . 1 1 30 30 ALA H H 1 8.374 0.010 . 1 . . . . 30 ALA H . 16947 1 208 . 1 1 30 30 ALA HA H 1 3.963 0.010 . 1 . . . . 30 ALA HA . 16947 1 209 . 1 1 30 30 ALA HB1 H 1 1.367 0.010 . 1 . . . . 30 ALA HB . 16947 1 210 . 1 1 30 30 ALA HB2 H 1 1.367 0.010 . 1 . . . . 30 ALA HB . 16947 1 211 . 1 1 30 30 ALA HB3 H 1 1.367 0.010 . 1 . . . . 30 ALA HB . 16947 1 212 . 1 1 30 30 ALA C C 13 178.856 0.010 . 1 . . . . 30 ALA C . 16947 1 213 . 1 1 30 30 ALA CA C 13 54.759 0.010 . 1 . . . . 30 ALA CA . 16947 1 214 . 1 1 30 30 ALA CB C 13 16.857 0.010 . 1 . . . . 30 ALA CB . 16947 1 215 . 1 1 30 30 ALA N N 15 120.649 0.010 . 1 . . . . 30 ALA N . 16947 1 216 . 1 1 31 31 LEU H H 1 8.210 0.010 . 1 . . . . 31 LEU H . 16947 1 217 . 1 1 31 31 LEU HA H 1 4.488 0.010 . 1 . . . . 31 LEU HA . 16947 1 218 . 1 1 31 31 LEU HB2 H 1 1.752 0.010 . 2 . . . . 31 LEU HB . 16947 1 219 . 1 1 31 31 LEU HB3 H 1 1.752 0.010 . 2 . . . . 31 LEU HB . 16947 1 220 . 1 1 31 31 LEU HD11 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 221 . 1 1 31 31 LEU HD12 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 222 . 1 1 31 31 LEU HD13 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 223 . 1 1 31 31 LEU HD21 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 224 . 1 1 31 31 LEU HD22 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 225 . 1 1 31 31 LEU HD23 H 1 1.002 0.010 . 2 . . . . 31 LEU HD . 16947 1 226 . 1 1 31 31 LEU C C 13 178.436 0.010 . 1 . . . . 31 LEU C . 16947 1 227 . 1 1 31 31 LEU CA C 13 57.487 0.010 . 1 . . . . 31 LEU CA . 16947 1 228 . 1 1 31 31 LEU CB C 13 40.429 0.010 . 1 . . . . 31 LEU CB . 16947 1 229 . 1 1 31 31 LEU N N 15 117.007 0.010 . 1 . . . . 31 LEU N . 16947 1 230 . 1 1 32 32 VAL H H 1 8.027 0.010 . 1 . . . . 32 VAL H . 16947 1 231 . 1 1 32 32 VAL HB H 1 1.836 0.010 . 1 . . . . 32 VAL HB . 16947 1 232 . 1 1 32 32 VAL C C 13 177.489 0.010 . 1 . . . . 32 VAL C . 16947 1 233 . 1 1 32 32 VAL CA C 13 66.418 0.010 . 1 . . . . 32 VAL CA . 16947 1 234 . 1 1 32 32 VAL CB C 13 29.398 0.010 . 1 . . . . 32 VAL CB . 16947 1 235 . 1 1 32 32 VAL N N 15 119.304 0.010 . 1 . . . . 32 VAL N . 16947 1 236 . 1 1 33 33 VAL H H 1 8.237 0.010 . 1 . . . . 33 VAL H . 16947 1 237 . 1 1 33 33 VAL HB H 1 1.812 0.010 . 1 . . . . 33 VAL HB . 16947 1 238 . 1 1 33 33 VAL C C 13 177.741 0.010 . 1 . . . . 33 VAL C . 16947 1 239 . 1 1 33 33 VAL N N 15 118.896 0.010 . 1 . . . . 33 VAL N . 16947 1 240 . 1 1 34 34 LEU H H 1 8.532 0.010 . 1 . . . . 34 LEU H . 16947 1 241 . 1 1 34 34 LEU HA H 1 3.985 0.010 . 1 . . . . 34 LEU HA . 16947 1 242 . 1 1 34 34 LEU HB2 H 1 1.805 0.010 . 2 . . . . 34 LEU HB . 16947 1 243 . 1 1 34 34 LEU HB3 H 1 1.805 0.010 . 2 . . . . 34 LEU HB . 16947 1 244 . 1 1 34 34 LEU HD11 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 245 . 1 1 34 34 LEU HD12 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 246 . 1 1 34 34 LEU HD13 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 247 . 1 1 34 34 LEU HD21 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 248 . 1 1 34 34 LEU HD22 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 249 . 1 1 34 34 LEU HD23 H 1 0.891 0.010 . 2 . . . . 34 LEU HD . 16947 1 250 . 1 1 34 34 LEU C C 13 177.909 0.010 . 1 . . . . 34 LEU C . 16947 1 251 . 1 1 34 34 LEU CA C 13 57.487 0.010 . 1 . . . . 34 LEU CA . 16947 1 252 . 1 1 34 34 LEU CB C 13 40.816 0.010 . 1 . . . . 34 LEU CB . 16947 1 253 . 1 1 34 34 LEU N N 15 119.461 0.010 . 1 . . . . 34 LEU N . 16947 1 254 . 1 1 35 35 ALA H H 1 8.483 0.010 . 1 . . . . 35 ALA H . 16947 1 255 . 1 1 35 35 ALA HA H 1 3.991 0.010 . 1 . . . . 35 ALA HA . 16947 1 256 . 1 1 35 35 ALA HB1 H 1 1.573 0.010 . 1 . . . . 35 ALA HB . 16947 1 257 . 1 1 35 35 ALA HB2 H 1 1.573 0.010 . 1 . . . . 35 ALA HB . 16947 1 258 . 1 1 35 35 ALA HB3 H 1 1.573 0.010 . 1 . . . . 35 ALA HB . 16947 1 259 . 1 1 35 35 ALA C C 13 179.309 0.010 . 1 . . . . 35 ALA C . 16947 1 260 . 1 1 35 35 ALA CA C 13 54.960 0.010 . 1 . . . . 35 ALA CA . 16947 1 261 . 1 1 35 35 ALA CB C 13 17.268 0.010 . 1 . . . . 35 ALA CB . 16947 1 262 . 1 1 35 35 ALA N N 15 120.870 0.010 . 1 . . . . 35 ALA N . 16947 1 263 . 1 1 36 36 ILE H H 1 8.114 0.010 . 1 . . . . 36 ILE H . 16947 1 264 . 1 1 36 36 ILE HA H 1 3.601 0.010 . 1 . . . . 36 ILE HA . 16947 1 265 . 1 1 36 36 ILE HB H 1 2.172 0.010 . 1 . . . . 36 ILE HB . 16947 1 266 . 1 1 36 36 ILE C C 13 178.135 0.010 . 1 . . . . 36 ILE C . 16947 1 267 . 1 1 36 36 ILE CA C 13 64.867 0.010 . 1 . . . . 36 ILE CA . 16947 1 268 . 1 1 36 36 ILE CB C 13 36.129 0.010 . 1 . . . . 36 ILE CB . 16947 1 269 . 1 1 36 36 ILE N N 15 118.008 0.010 . 1 . . . . 36 ILE N . 16947 1 270 . 1 1 37 37 VAL H H 1 8.518 0.010 . 1 . . . . 37 VAL H . 16947 1 271 . 1 1 37 37 VAL HA H 1 3.670 0.010 . 1 . . . . 37 VAL HA . 16947 1 272 . 1 1 37 37 VAL HB H 1 2.376 0.010 . 1 . . . . 37 VAL HB . 16947 1 273 . 1 1 37 37 VAL C C 13 178.012 0.010 . 1 . . . . 37 VAL C . 16947 1 274 . 1 1 37 37 VAL CA C 13 66.562 0.010 . 1 . . . . 37 VAL CA . 16947 1 275 . 1 1 37 37 VAL CB C 13 30.124 0.010 . 1 . . . . 37 VAL CB . 16947 1 276 . 1 1 37 37 VAL N N 15 120.374 0.010 . 1 . . . . 37 VAL N . 16947 1 277 . 1 1 38 38 VAL H H 1 8.832 0.010 . 1 . . . . 38 VAL H . 16947 1 278 . 1 1 38 38 VAL HA H 1 3.988 0.010 . 1 . . . . 38 VAL HA . 16947 1 279 . 1 1 38 38 VAL HB H 1 2.336 0.010 . 1 . . . . 38 VAL HB . 16947 1 280 . 1 1 38 38 VAL C C 13 177.585 0.010 . 1 . . . . 38 VAL C . 16947 1 281 . 1 1 38 38 VAL CA C 13 66.734 0.010 . 1 . . . . 38 VAL CA . 16947 1 282 . 1 1 38 38 VAL CB C 13 30.067 0.010 . 1 . . . . 38 VAL CB . 16947 1 283 . 1 1 38 38 VAL N N 15 119.897 0.010 . 1 . . . . 38 VAL N . 16947 1 284 . 1 1 39 39 GLN H H 1 8.458 0.010 . 1 . . . . 39 GLN H . 16947 1 285 . 1 1 39 39 GLN HA H 1 4.099 0.010 . 1 . . . . 39 GLN HA . 16947 1 286 . 1 1 39 39 GLN HB2 H 1 2.384 0.010 . 2 . . . . 39 GLN HB . 16947 1 287 . 1 1 39 39 GLN HB3 H 1 2.384 0.010 . 2 . . . . 39 GLN HB . 16947 1 288 . 1 1 39 39 GLN C C 13 179.492 0.010 . 1 . . . . 39 GLN C . 16947 1 289 . 1 1 39 39 GLN CA C 13 59.124 0.010 . 1 . . . . 39 GLN CA . 16947 1 290 . 1 1 39 39 GLN CB C 13 26.793 0.010 . 1 . . . . 39 GLN CB . 16947 1 291 . 1 1 39 39 GLN N N 15 119.860 0.010 . 1 . . . . 39 GLN N . 16947 1 292 . 1 1 40 40 MET H H 1 8.744 0.010 . 1 . . . . 40 MET H . 16947 1 293 . 1 1 40 40 MET HA H 1 4.211 0.010 . 1 . . . . 40 MET HA . 16947 1 294 . 1 1 40 40 MET HB2 H 1 2.408 0.010 . 2 . . . . 40 MET HB . 16947 1 295 . 1 1 40 40 MET HB3 H 1 2.408 0.010 . 2 . . . . 40 MET HB . 16947 1 296 . 1 1 40 40 MET HE1 H 1 2.146 0.010 . 2 . . . . 40 MET HE . 16947 1 297 . 1 1 40 40 MET HE2 H 1 2.146 0.010 . 2 . . . . 40 MET HE . 16947 1 298 . 1 1 40 40 MET HE3 H 1 2.146 0.010 . 2 . . . . 40 MET HE . 16947 1 299 . 1 1 40 40 MET C C 13 178.054 0.010 . 1 . . . . 40 MET C . 16947 1 300 . 1 1 40 40 MET CA C 13 58.406 0.010 . 1 . . . . 40 MET CA . 16947 1 301 . 1 1 40 40 MET CB C 13 30.124 0.010 . 1 . . . . 40 MET CB . 16947 1 302 . 1 1 40 40 MET N N 15 120.744 0.010 . 1 . . . . 40 MET N . 16947 1 303 . 1 1 41 41 ALA H H 1 8.782 0.010 . 1 . . . . 41 ALA H . 16947 1 304 . 1 1 41 41 ALA HA H 1 4.103 0.010 . 1 . . . . 41 ALA HA . 16947 1 305 . 1 1 41 41 ALA HB1 H 1 1.589 0.010 . 1 . . . . 41 ALA HB . 16947 1 306 . 1 1 41 41 ALA HB2 H 1 1.589 0.010 . 1 . . . . 41 ALA HB . 16947 1 307 . 1 1 41 41 ALA HB3 H 1 1.589 0.010 . 1 . . . . 41 ALA HB . 16947 1 308 . 1 1 41 41 ALA C C 13 179.516 0.010 . 1 . . . . 41 ALA C . 16947 1 309 . 1 1 41 41 ALA CA C 13 55.223 0.010 . 1 . . . . 41 ALA CA . 16947 1 310 . 1 1 41 41 ALA CB C 13 17.546 0.010 . 1 . . . . 41 ALA CB . 16947 1 311 . 1 1 41 41 ALA N N 15 122.929 0.010 . 1 . . . . 41 ALA N . 16947 1 312 . 1 1 42 42 VAL H H 1 8.835 0.010 . 1 . . . . 42 VAL H . 16947 1 313 . 1 1 42 42 VAL HA H 1 3.599 0.010 . 1 . . . . 42 VAL HA . 16947 1 314 . 1 1 42 42 VAL HB H 1 2.320 0.010 . 1 . . . . 42 VAL HB . 16947 1 315 . 1 1 42 42 VAL C C 13 177.899 0.010 . 1 . . . . 42 VAL C . 16947 1 316 . 1 1 42 42 VAL CA C 13 66.538 0.010 . 1 . . . . 42 VAL CA . 16947 1 317 . 1 1 42 42 VAL CB C 13 30.641 0.010 . 1 . . . . 42 VAL CB . 16947 1 318 . 1 1 42 42 VAL N N 15 117.632 0.010 . 1 . . . . 42 VAL N . 16947 1 319 . 1 1 43 43 THR H H 1 8.143 0.010 . 1 . . . . 43 THR H . 16947 1 320 . 1 1 43 43 THR HA H 1 4.719 0.010 . 1 . . . . 43 THR HA . 16947 1 321 . 1 1 43 43 THR HB H 1 4.361 0.010 . 1 . . . . 43 THR HB . 16947 1 322 . 1 1 43 43 THR C C 13 176.508 0.010 . 1 . . . . 43 THR C . 16947 1 323 . 1 1 43 43 THR CA C 13 66.538 0.010 . 1 . . . . 43 THR CA . 16947 1 324 . 1 1 43 43 THR CB C 13 68.146 0.010 . 1 . . . . 43 THR CB . 16947 1 325 . 1 1 43 43 THR N N 15 115.216 0.010 . 1 . . . . 43 THR N . 16947 1 326 . 1 1 44 44 MET H H 1 8.331 0.010 . 1 . . . . 44 MET H . 16947 1 327 . 1 1 44 44 MET HA H 1 4.351 0.010 . 1 . . . . 44 MET HA . 16947 1 328 . 1 1 44 44 MET HB2 H 1 2.154 0.010 . 2 . . . . 44 MET HB . 16947 1 329 . 1 1 44 44 MET HB3 H 1 2.154 0.010 . 2 . . . . 44 MET HB . 16947 1 330 . 1 1 44 44 MET C C 13 178.296 0.010 . 1 . . . . 44 MET C . 16947 1 331 . 1 1 44 44 MET CA C 13 58.119 0.010 . 1 . . . . 44 MET CA . 16947 1 332 . 1 1 44 44 MET CB C 13 31.485 0.010 . 1 . . . . 44 MET CB . 16947 1 333 . 1 1 44 44 MET N N 15 120.331 0.010 . 1 . . . . 44 MET N . 16947 1 334 . 1 1 45 45 VAL H H 1 8.166 0.010 . 1 . . . . 45 VAL H . 16947 1 335 . 1 1 45 45 VAL HA H 1 3.961 0.010 . 1 . . . . 45 VAL HA . 16947 1 336 . 1 1 45 45 VAL HB H 1 2.130 0.010 . 1 . . . . 45 VAL HB . 16947 1 337 . 1 1 45 45 VAL C C 13 177.855 0.010 . 1 . . . . 45 VAL C . 16947 1 338 . 1 1 45 45 VAL CA C 13 64.872 0.010 . 1 . . . . 45 VAL CA . 16947 1 339 . 1 1 45 45 VAL CB C 13 31.043 0.010 . 1 . . . . 45 VAL CB . 16947 1 340 . 1 1 45 45 VAL N N 15 118.764 0.010 . 1 . . . . 45 VAL N . 16947 1 341 . 1 1 46 46 LEU H H 1 8.179 0.010 . 1 . . . . 46 LEU H . 16947 1 342 . 1 1 46 46 LEU HA H 1 4.349 0.010 . 1 . . . . 46 LEU HA . 16947 1 343 . 1 1 46 46 LEU HB2 H 1 1.840 0.010 . 2 . . . . 46 LEU HB . 16947 1 344 . 1 1 46 46 LEU HB3 H 1 1.840 0.010 . 2 . . . . 46 LEU HB . 16947 1 345 . 1 1 46 46 LEU C C 13 178.124 0.010 . 1 . . . . 46 LEU C . 16947 1 346 . 1 1 46 46 LEU N N 15 118.291 0.010 . 1 . . . . 46 LEU N . 16947 1 347 . 1 1 47 47 HIS H H 1 7.903 0.010 . 1 . . . . 47 HIS H . 16947 1 348 . 1 1 47 47 HIS HA H 1 4.833 0.010 . 1 . . . . 47 HIS HA . 16947 1 349 . 1 1 47 47 HIS HB2 H 1 3.459 0.010 . 2 . . . . 47 HIS HB2 . 16947 1 350 . 1 1 47 47 HIS HB3 H 1 3.592 0.010 . 2 . . . . 47 HIS HB3 . 16947 1 351 . 1 1 47 47 HIS C C 13 175.367 0.010 . 1 . . . . 47 HIS C . 16947 1 352 . 1 1 47 47 HIS CA C 13 55.453 0.010 . 1 . . . . 47 HIS CA . 16947 1 353 . 1 1 47 47 HIS CB C 13 27.195 0.010 . 1 . . . . 47 HIS CB . 16947 1 354 . 1 1 47 47 HIS N N 15 114.583 0.010 . 1 . . . . 47 HIS N . 16947 1 355 . 1 1 48 48 GLY H H 1 8.293 0.010 . 1 . . . . 48 GLY H . 16947 1 356 . 1 1 48 48 GLY HA2 H 1 4.129 0.010 . 2 . . . . 48 GLY HA . 16947 1 357 . 1 1 48 48 GLY HA3 H 1 4.129 0.010 . 2 . . . . 48 GLY HA . 16947 1 358 . 1 1 48 48 GLY C C 13 174.171 0.010 . 1 . . . . 48 GLY C . 16947 1 359 . 1 1 48 48 GLY CA C 13 45.459 0.010 . 1 . . . . 48 GLY CA . 16947 1 360 . 1 1 48 48 GLY N N 15 108.497 0.010 . 1 . . . . 48 GLY N . 16947 1 361 . 1 1 49 49 GLN H H 1 8.107 0.010 . 1 . . . . 49 GLN H . 16947 1 362 . 1 1 49 49 GLN HA H 1 4.208 0.010 . 1 . . . . 49 GLN HA . 16947 1 363 . 1 1 49 49 GLN HB2 H 1 2.210 0.010 . 2 . . . . 49 GLN HB . 16947 1 364 . 1 1 49 49 GLN HB3 H 1 2.210 0.010 . 2 . . . . 49 GLN HB . 16947 1 365 . 1 1 49 49 GLN HG2 H 1 2.702 0.010 . 2 . . . . 49 GLN HG . 16947 1 366 . 1 1 49 49 GLN HG3 H 1 2.702 0.010 . 2 . . . . 49 GLN HG . 16947 1 367 . 1 1 49 49 GLN C C 13 175.636 0.010 . 1 . . . . 49 GLN C . 16947 1 368 . 1 1 49 49 GLN CA C 13 55.338 0.010 . 1 . . . . 49 GLN CA . 16947 1 369 . 1 1 49 49 GLN CB C 13 28.746 0.010 . 1 . . . . 49 GLN CB . 16947 1 370 . 1 1 49 49 GLN N N 15 119.291 0.010 . 1 . . . . 49 GLN N . 16947 1 371 . 1 1 50 50 VAL H H 1 8.127 0.010 . 1 . . . . 50 VAL H . 16947 1 372 . 1 1 50 50 VAL HA H 1 4.200 0.010 . 1 . . . . 50 VAL HA . 16947 1 373 . 1 1 50 50 VAL HB H 1 2.130 0.010 . 1 . . . . 50 VAL HB . 16947 1 374 . 1 1 50 50 VAL HG11 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 375 . 1 1 50 50 VAL HG12 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 376 . 1 1 50 50 VAL HG13 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 377 . 1 1 50 50 VAL HG21 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 378 . 1 1 50 50 VAL HG22 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 379 . 1 1 50 50 VAL HG23 H 1 1.039 0.010 . 2 . . . . 50 VAL HG . 16947 1 380 . 1 1 50 50 VAL C C 13 176.045 0.010 . 1 . . . . 50 VAL C . 16947 1 381 . 1 1 50 50 VAL CA C 13 61.795 0.010 . 1 . . . . 50 VAL CA . 16947 1 382 . 1 1 50 50 VAL CB C 13 31.503 0.010 . 1 . . . . 50 VAL CB . 16947 1 383 . 1 1 50 50 VAL N N 15 120.114 0.010 . 1 . . . . 50 VAL N . 16947 1 384 . 1 1 51 51 GLU H H 1 8.509 0.010 . 1 . . . . 51 GLU H . 16947 1 385 . 1 1 51 51 GLU HA H 1 4.438 0.010 . 1 . . . . 51 GLU HA . 16947 1 386 . 1 1 51 51 GLU HB2 H 1 2.198 0.010 . 2 . . . . 51 GLU HB . 16947 1 387 . 1 1 51 51 GLU HB3 H 1 2.198 0.010 . 2 . . . . 51 GLU HB . 16947 1 388 . 1 1 51 51 GLU HG2 H 1 2.482 0.010 . 2 . . . . 51 GLU HG . 16947 1 389 . 1 1 51 51 GLU HG3 H 1 2.482 0.010 . 2 . . . . 51 GLU HG . 16947 1 390 . 1 1 51 51 GLU C C 13 176.250 0.010 . 1 . . . . 51 GLU C . 16947 1 391 . 1 1 51 51 GLU CA C 13 56.544 0.010 . 1 . . . . 51 GLU CA . 16947 1 392 . 1 1 51 51 GLU CB C 13 27.884 0.010 . 1 . . . . 51 GLU CB . 16947 1 393 . 1 1 51 51 GLU N N 15 123.685 0.010 . 1 . . . . 51 GLU N . 16947 1 394 . 1 1 52 52 SER H H 1 8.136 0.010 . 1 . . . . 52 SER H . 16947 1 395 . 1 1 52 52 SER HA H 1 4.513 0.010 . 1 . . . . 52 SER HA . 16947 1 396 . 1 1 52 52 SER HB2 H 1 4.049 0.010 . 2 . . . . 52 SER HB . 16947 1 397 . 1 1 52 52 SER HB3 H 1 4.049 0.010 . 2 . . . . 52 SER HB . 16947 1 398 . 1 1 52 52 SER C C 13 175.834 0.010 . 1 . . . . 52 SER C . 16947 1 399 . 1 1 52 52 SER CA C 13 58.956 0.010 . 1 . . . . 52 SER CA . 16947 1 400 . 1 1 52 52 SER CB C 13 62.929 0.010 . 1 . . . . 52 SER CB . 16947 1 401 . 1 1 52 52 SER N N 15 114.860 0.010 . 1 . . . . 52 SER N . 16947 1 402 . 1 1 53 53 ILE H H 1 8.263 0.010 . 1 . . . . 53 ILE H . 16947 1 403 . 1 1 53 53 ILE HA H 1 4.049 0.010 . 1 . . . . 53 ILE HA . 16947 1 404 . 1 1 53 53 ILE HB H 1 2.091 0.010 . 1 . . . . 53 ILE HB . 16947 1 405 . 1 1 53 53 ILE C C 13 176.756 0.010 . 1 . . . . 53 ILE C . 16947 1 406 . 1 1 53 53 ILE CA C 13 62.287 0.010 . 1 . . . . 53 ILE CA . 16947 1 407 . 1 1 53 53 ILE CB C 13 36.557 0.010 . 1 . . . . 53 ILE CB . 16947 1 408 . 1 1 53 53 ILE N N 15 122.087 0.010 . 1 . . . . 53 ILE N . 16947 1 409 . 1 1 54 54 ASP H H 1 8.257 0.010 . 1 . . . . 54 ASP H . 16947 1 410 . 1 1 54 54 ASP HA H 1 4.502 0.010 . 1 . . . . 54 ASP HA . 16947 1 411 . 1 1 54 54 ASP HB2 H 1 2.845 0.010 . 2 . . . . 54 ASP HB . 16947 1 412 . 1 1 54 54 ASP HB3 H 1 2.845 0.010 . 2 . . . . 54 ASP HB . 16947 1 413 . 1 1 54 54 ASP C C 13 178.641 0.010 . 1 . . . . 54 ASP C . 16947 1 414 . 1 1 54 54 ASP CA C 13 57.004 0.010 . 1 . . . . 54 ASP CA . 16947 1 415 . 1 1 54 54 ASP CB C 13 39.141 0.010 . 1 . . . . 54 ASP CB . 16947 1 416 . 1 1 54 54 ASP N N 15 121.260 0.010 . 1 . . . . 54 ASP N . 16947 1 417 . 1 1 55 55 VAL H H 1 7.851 0.010 . 1 . . . . 55 VAL H . 16947 1 418 . 1 1 55 55 VAL HA H 1 3.939 0.010 . 1 . . . . 55 VAL HA . 16947 1 419 . 1 1 55 55 VAL HB H 1 2.089 0.010 . 1 . . . . 55 VAL HB . 16947 1 420 . 1 1 55 55 VAL C C 13 177.911 0.010 . 1 . . . . 55 VAL C . 16947 1 421 . 1 1 55 55 VAL CA C 13 65.155 0.010 . 1 . . . . 55 VAL CA . 16947 1 422 . 1 1 55 55 VAL CB C 13 30.641 0.010 . 1 . . . . 55 VAL CB . 16947 1 423 . 1 1 55 55 VAL N N 15 121.157 0.010 . 1 . . . . 55 VAL N . 16947 1 424 . 1 1 56 56 ILE H H 1 7.746 0.010 . 1 . . . . 56 ILE H . 16947 1 425 . 1 1 56 56 ILE HA H 1 3.812 0.010 . 1 . . . . 56 ILE HA . 16947 1 426 . 1 1 56 56 ILE HB H 1 1.995 0.010 . 1 . . . . 56 ILE HB . 16947 1 427 . 1 1 56 56 ILE C C 13 177.585 0.010 . 1 . . . . 56 ILE C . 16947 1 428 . 1 1 56 56 ILE CA C 13 64.035 0.010 . 1 . . . . 56 ILE CA . 16947 1 429 . 1 1 56 56 ILE CB C 13 36.212 0.010 . 1 . . . . 56 ILE CB . 16947 1 430 . 1 1 56 56 ILE N N 15 119.837 0.010 . 1 . . . . 56 ILE N . 16947 1 431 . 1 1 57 57 ARG H H 1 8.494 0.010 . 1 . . . . 57 ARG H . 16947 1 432 . 1 1 57 57 ARG HA H 1 3.995 0.010 . 1 . . . . 57 ARG HA . 16947 1 433 . 1 1 57 57 ARG HB2 H 1 2.117 0.010 . 2 . . . . 57 ARG HB . 16947 1 434 . 1 1 57 57 ARG HB3 H 1 2.117 0.010 . 2 . . . . 57 ARG HB . 16947 1 435 . 1 1 57 57 ARG C C 13 177.682 0.010 . 1 . . . . 57 ARG C . 16947 1 436 . 1 1 57 57 ARG CA C 13 60.564 0.010 . 1 . . . . 57 ARG CA . 16947 1 437 . 1 1 57 57 ARG CB C 13 29.033 0.010 . 1 . . . . 57 ARG CB . 16947 1 438 . 1 1 57 57 ARG N N 15 119.632 0.010 . 1 . . . . 57 ARG N . 16947 1 439 . 1 1 58 58 SER H H 1 7.981 0.010 . 1 . . . . 58 SER H . 16947 1 440 . 1 1 58 58 SER HA H 1 4.405 0.010 . 1 . . . . 58 SER HA . 16947 1 441 . 1 1 58 58 SER HB2 H 1 4.163 0.010 . 2 . . . . 58 SER HB . 16947 1 442 . 1 1 58 58 SER HB3 H 1 4.163 0.010 . 2 . . . . 58 SER HB . 16947 1 443 . 1 1 58 58 SER C C 13 177.432 0.010 . 1 . . . . 58 SER C . 16947 1 444 . 1 1 58 58 SER CA C 13 61.364 0.010 . 1 . . . . 58 SER CA . 16947 1 445 . 1 1 58 58 SER CB C 13 62.575 0.010 . 1 . . . . 58 SER CB . 16947 1 446 . 1 1 58 58 SER N N 15 114.224 0.010 . 1 . . . . 58 SER N . 16947 1 447 . 1 1 59 59 ILE H H 1 8.126 0.010 . 1 . . . . 59 ILE H . 16947 1 448 . 1 1 59 59 ILE HA H 1 3.963 0.010 . 1 . . . . 59 ILE HA . 16947 1 449 . 1 1 59 59 ILE HB H 1 2.053 0.010 . 1 . . . . 59 ILE HB . 16947 1 450 . 1 1 59 59 ILE C C 13 177.758 0.010 . 1 . . . . 59 ILE C . 16947 1 451 . 1 1 59 59 ILE CA C 13 63.834 0.010 . 1 . . . . 59 ILE CA . 16947 1 452 . 1 1 59 59 ILE CB C 13 36.959 0.010 . 1 . . . . 59 ILE CB . 16947 1 453 . 1 1 59 59 ILE N N 15 122.910 0.010 . 1 . . . . 59 ILE N . 16947 1 454 . 1 1 60 60 PHE H H 1 8.364 0.010 . 1 . . . . 60 PHE H . 16947 1 455 . 1 1 60 60 PHE HA H 1 3.976 0.010 . 1 . . . . 60 PHE HA . 16947 1 456 . 1 1 60 60 PHE HB2 H 1 3.173 0.010 . 2 . . . . 60 PHE HB . 16947 1 457 . 1 1 60 60 PHE HB3 H 1 3.173 0.010 . 2 . . . . 60 PHE HB . 16947 1 458 . 1 1 60 60 PHE C C 13 176.885 0.010 . 1 . . . . 60 PHE C . 16947 1 459 . 1 1 60 60 PHE CA C 13 61.254 0.010 . 1 . . . . 60 PHE CA . 16947 1 460 . 1 1 60 60 PHE CB C 13 38.165 0.010 . 1 . . . . 60 PHE CB . 16947 1 461 . 1 1 60 60 PHE N N 15 119.452 0.010 . 1 . . . . 60 PHE N . 16947 1 462 . 1 1 61 61 PHE H H 1 8.600 0.010 . 1 . . . . 61 PHE H . 16947 1 463 . 1 1 61 61 PHE HA H 1 4.313 0.010 . 1 . . . . 61 PHE HA . 16947 1 464 . 1 1 61 61 PHE HB2 H 1 3.313 0.010 . 2 . . . . 61 PHE HB . 16947 1 465 . 1 1 61 61 PHE HB3 H 1 3.313 0.010 . 2 . . . . 61 PHE HB . 16947 1 466 . 1 1 61 61 PHE C C 13 178.184 0.010 . 1 . . . . 61 PHE C . 16947 1 467 . 1 1 61 61 PHE CA C 13 60.129 0.010 . 1 . . . . 61 PHE CA . 16947 1 468 . 1 1 61 61 PHE CB C 13 37.361 0.010 . 1 . . . . 61 PHE CB . 16947 1 469 . 1 1 61 61 PHE N N 15 117.106 0.010 . 1 . . . . 61 PHE N . 16947 1 470 . 1 1 62 62 GLY H H 1 8.047 0.010 . 1 . . . . 62 GLY H . 16947 1 471 . 1 1 62 62 GLY HA2 H 1 3.997 0.010 . 2 . . . . 62 GLY HA . 16947 1 472 . 1 1 62 62 GLY HA3 H 1 3.997 0.010 . 2 . . . . 62 GLY HA . 16947 1 473 . 1 1 62 62 GLY C C 13 175.744 0.010 . 1 . . . . 62 GLY C . 16947 1 474 . 1 1 62 62 GLY CA C 13 46.148 0.010 . 1 . . . . 62 GLY CA . 16947 1 475 . 1 1 62 62 GLY N N 15 106.595 0.010 . 1 . . . . 62 GLY N . 16947 1 476 . 1 1 63 63 LEU H H 1 7.884 0.010 . 1 . . . . 63 LEU H . 16947 1 477 . 1 1 63 63 LEU HA H 1 4.303 0.010 . 1 . . . . 63 LEU HA . 16947 1 478 . 1 1 63 63 LEU HB2 H 1 1.986 0.010 . 2 . . . . 63 LEU HB . 16947 1 479 . 1 1 63 63 LEU HB3 H 1 1.986 0.010 . 2 . . . . 63 LEU HB . 16947 1 480 . 1 1 63 63 LEU C C 13 178.375 0.010 . 1 . . . . 63 LEU C . 16947 1 481 . 1 1 63 63 LEU CA C 13 56.429 0.010 . 1 . . . . 63 LEU CA . 16947 1 482 . 1 1 63 63 LEU CB C 13 41.152 0.010 . 1 . . . . 63 LEU CB . 16947 1 483 . 1 1 63 63 LEU N N 15 120.955 0.010 . 1 . . . . 63 LEU N . 16947 1 484 . 1 1 64 64 LEU H H 1 7.651 0.010 . 1 . . . . 64 LEU H . 16947 1 485 . 1 1 64 64 LEU HA H 1 4.060 0.010 . 1 . . . . 64 LEU HA . 16947 1 486 . 1 1 64 64 LEU HB2 H 1 1.781 0.010 . 2 . . . . 64 LEU HB . 16947 1 487 . 1 1 64 64 LEU HB3 H 1 1.781 0.010 . 2 . . . . 64 LEU HB . 16947 1 488 . 1 1 64 64 LEU C C 13 176.271 0.010 . 1 . . . . 64 LEU C . 16947 1 489 . 1 1 64 64 LEU CA C 13 55.821 0.010 . 1 . . . . 64 LEU CA . 16947 1 490 . 1 1 64 64 LEU CB C 13 40.807 0.010 . 1 . . . . 64 LEU CB . 16947 1 491 . 1 1 64 64 LEU N N 15 117.669 0.010 . 1 . . . . 64 LEU N . 16947 1 492 . 1 1 65 65 ILE H H 1 7.094 0.010 . 1 . . . . 65 ILE H . 16947 1 493 . 1 1 65 65 ILE HA H 1 4.452 0.010 . 1 . . . . 65 ILE HA . 16947 1 494 . 1 1 65 65 ILE C C 13 176.864 0.010 . 1 . . . . 65 ILE C . 16947 1 495 . 1 1 65 65 ILE CA C 13 60.277 0.010 . 1 . . . . 65 ILE CA . 16947 1 496 . 1 1 65 65 ILE CB C 13 36.787 0.010 . 1 . . . . 65 ILE CB . 16947 1 497 . 1 1 65 65 ILE N N 15 110.458 0.010 . 1 . . . . 65 ILE N . 16947 1 498 . 1 1 66 66 THR H H 1 7.549 0.010 . 1 . . . . 66 THR H . 16947 1 499 . 1 1 66 66 THR HA H 1 4.649 0.010 . 1 . . . . 66 THR HA . 16947 1 500 . 1 1 66 66 THR HB H 1 4.026 0.010 . 1 . . . . 66 THR HB . 16947 1 501 . 1 1 66 66 THR C C 13 173.827 0.010 . 1 . . . . 66 THR C . 16947 1 502 . 1 1 66 66 THR CA C 13 60.335 0.010 . 1 . . . . 66 THR CA . 16947 1 503 . 1 1 66 66 THR CB C 13 69.007 0.010 . 1 . . . . 66 THR CB . 16947 1 504 . 1 1 66 66 THR N N 15 116.409 0.010 . 1 . . . . 66 THR N . 16947 1 505 . 1 1 67 67 PRO HD2 H 1 3.406 0.010 . 2 . . . . 67 PRO HD . 16947 1 506 . 1 1 67 67 PRO HD3 H 1 3.406 0.010 . 2 . . . . 67 PRO HD . 16947 1 507 . 1 1 67 67 PRO C C 13 179.218 0.010 . 1 . . . . 67 PRO C . 16947 1 508 . 1 1 67 67 PRO CA C 13 65.159 0.010 . 1 . . . . 67 PRO CA . 16947 1 509 . 1 1 67 67 PRO CB C 13 30.698 0.010 . 1 . . . . 67 PRO CB . 16947 1 510 . 1 1 68 68 TRP H H 1 7.600 0.010 . 1 . . . . 68 TRP H . 16947 1 511 . 1 1 68 68 TRP HA H 1 4.339 0.010 . 1 . . . . 68 TRP HA . 16947 1 512 . 1 1 68 68 TRP HB2 H 1 3.366 0.010 . 2 . . . . 68 TRP HB . 16947 1 513 . 1 1 68 68 TRP HB3 H 1 3.366 0.010 . 2 . . . . 68 TRP HB . 16947 1 514 . 1 1 68 68 TRP C C 13 177.490 0.010 . 1 . . . . 68 TRP C . 16947 1 515 . 1 1 68 68 TRP CA C 13 58.727 0.010 . 1 . . . . 68 TRP CA . 16947 1 516 . 1 1 68 68 TRP CB C 13 28.344 0.010 . 1 . . . . 68 TRP CB . 16947 1 517 . 1 1 68 68 TRP N N 15 116.048 0.010 . 1 . . . . 68 TRP N . 16947 1 518 . 1 1 69 69 ALA H H 1 7.517 0.010 . 1 . . . . 69 ALA H . 16947 1 519 . 1 1 69 69 ALA HA H 1 4.168 0.010 . 1 . . . . 69 ALA HA . 16947 1 520 . 1 1 69 69 ALA HB1 H 1 1.492 0.010 . 1 . . . . 69 ALA HB . 16947 1 521 . 1 1 69 69 ALA HB2 H 1 1.492 0.010 . 1 . . . . 69 ALA HB . 16947 1 522 . 1 1 69 69 ALA HB3 H 1 1.492 0.010 . 1 . . . . 69 ALA HB . 16947 1 523 . 1 1 69 69 ALA C C 13 179.136 0.010 . 1 . . . . 69 ALA C . 16947 1 524 . 1 1 69 69 ALA CA C 13 55.453 0.010 . 1 . . . . 69 ALA CA . 16947 1 525 . 1 1 69 69 ALA CB C 13 17.890 0.010 . 1 . . . . 69 ALA CB . 16947 1 526 . 1 1 69 69 ALA N N 15 123.179 0.010 . 1 . . . . 69 ALA N . 16947 1 527 . 1 1 70 70 VAL H H 1 7.927 0.010 . 1 . . . . 70 VAL H . 16947 1 528 . 1 1 70 70 VAL HA H 1 3.716 0.010 . 1 . . . . 70 VAL HA . 16947 1 529 . 1 1 70 70 VAL HB H 1 2.190 0.010 . 1 . . . . 70 VAL HB . 16947 1 530 . 1 1 70 70 VAL HG11 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 531 . 1 1 70 70 VAL HG12 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 532 . 1 1 70 70 VAL HG13 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 533 . 1 1 70 70 VAL HG21 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 534 . 1 1 70 70 VAL HG22 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 535 . 1 1 70 70 VAL HG23 H 1 1.135 0.010 . 2 . . . . 70 VAL HG . 16947 1 536 . 1 1 70 70 VAL C C 13 178.918 0.010 . 1 . . . . 70 VAL C . 16947 1 537 . 1 1 70 70 VAL CA C 13 66.021 0.010 . 1 . . . . 70 VAL CA . 16947 1 538 . 1 1 70 70 VAL CB C 13 30.584 0.010 . 1 . . . . 70 VAL CB . 16947 1 539 . 1 1 70 70 VAL N N 15 117.342 0.010 . 1 . . . . 70 VAL N . 16947 1 540 . 1 1 71 71 TYR H H 1 8.016 0.010 . 1 . . . . 71 TYR H . 16947 1 541 . 1 1 71 71 TYR HB2 H 1 3.188 0.010 . 2 . . . . 71 TYR HB2 . 16947 1 542 . 1 1 71 71 TYR HB3 H 1 3.275 0.010 . 2 . . . . 71 TYR HB3 . 16947 1 543 . 1 1 71 71 TYR C C 13 177.952 0.010 . 1 . . . . 71 TYR C . 16947 1 544 . 1 1 71 71 TYR CA C 13 60.560 0.010 . 1 . . . . 71 TYR CA . 16947 1 545 . 1 1 71 71 TYR CB C 13 37.189 0.010 . 1 . . . . 71 TYR CB . 16947 1 546 . 1 1 71 71 TYR N N 15 121.782 0.010 . 1 . . . . 71 TYR N . 16947 1 547 . 1 1 72 72 PHE H H 1 8.534 0.010 . 1 . . . . 72 PHE H . 16947 1 548 . 1 1 72 72 PHE HA H 1 4.186 0.010 . 1 . . . . 72 PHE HA . 16947 1 549 . 1 1 72 72 PHE HB2 H 1 3.284 0.010 . 2 . . . . 72 PHE HB . 16947 1 550 . 1 1 72 72 PHE HB3 H 1 3.284 0.010 . 2 . . . . 72 PHE HB . 16947 1 551 . 1 1 72 72 PHE C C 13 177.241 0.010 . 1 . . . . 72 PHE C . 16947 1 552 . 1 1 72 72 PHE CA C 13 60.531 0.010 . 1 . . . . 72 PHE CA . 16947 1 553 . 1 1 72 72 PHE CB C 13 38.280 0.010 . 1 . . . . 72 PHE CB . 16947 1 554 . 1 1 72 72 PHE N N 15 119.999 0.010 . 1 . . . . 72 PHE N . 16947 1 555 . 1 1 73 73 LEU H H 1 8.649 0.010 . 1 . . . . 73 LEU H . 16947 1 556 . 1 1 73 73 LEU HA H 1 3.994 0.010 . 1 . . . . 73 LEU HA . 16947 1 557 . 1 1 73 73 LEU HB2 H 1 1.979 0.010 . 2 . . . . 73 LEU HB . 16947 1 558 . 1 1 73 73 LEU HB3 H 1 1.979 0.010 . 2 . . . . 73 LEU HB . 16947 1 559 . 1 1 73 73 LEU C C 13 178.364 0.010 . 1 . . . . 73 LEU C . 16947 1 560 . 1 1 73 73 LEU CA C 13 57.372 0.010 . 1 . . . . 73 LEU CA . 16947 1 561 . 1 1 73 73 LEU CB C 13 40.233 0.010 . 1 . . . . 73 LEU CB . 16947 1 562 . 1 1 73 73 LEU N N 15 118.899 0.010 . 1 . . . . 73 LEU N . 16947 1 563 . 1 1 74 74 SER H H 1 8.034 0.010 . 1 . . . . 74 SER H . 16947 1 564 . 1 1 74 74 SER HA H 1 4.233 0.010 . 1 . . . . 74 SER HA . 16947 1 565 . 1 1 74 74 SER HB2 H 1 4.080 0.010 . 2 . . . . 74 SER HB . 16947 1 566 . 1 1 74 74 SER HB3 H 1 4.080 0.010 . 2 . . . . 74 SER HB . 16947 1 567 . 1 1 74 74 SER C C 13 176.519 0.010 . 1 . . . . 74 SER C . 16947 1 568 . 1 1 74 74 SER CA C 13 61.278 0.010 . 1 . . . . 74 SER CA . 16947 1 569 . 1 1 74 74 SER CB C 13 61.907 0.010 . 1 . . . . 74 SER CB . 16947 1 570 . 1 1 74 74 SER N N 15 114.705 0.010 . 1 . . . . 74 SER N . 16947 1 571 . 1 1 75 75 VAL H H 1 7.636 0.010 . 1 . . . . 75 VAL H . 16947 1 572 . 1 1 75 75 VAL HA H 1 3.869 0.010 . 1 . . . . 75 VAL HA . 16947 1 573 . 1 1 75 75 VAL HB H 1 2.171 0.010 . 1 . . . . 75 VAL HB . 16947 1 574 . 1 1 75 75 VAL HG11 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 575 . 1 1 75 75 VAL HG12 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 576 . 1 1 75 75 VAL HG13 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 577 . 1 1 75 75 VAL HG21 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 578 . 1 1 75 75 VAL HG22 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 579 . 1 1 75 75 VAL HG23 H 1 0.867 0.010 . 2 . . . . 75 VAL HG . 16947 1 580 . 1 1 75 75 VAL C C 13 178.307 0.010 . 1 . . . . 75 VAL C . 16947 1 581 . 1 1 75 75 VAL CA C 13 65.040 0.010 . 1 . . . . 75 VAL CA . 16947 1 582 . 1 1 75 75 VAL CB C 13 30.650 0.010 . 1 . . . . 75 VAL CB . 16947 1 583 . 1 1 75 75 VAL N N 15 123.144 0.010 . 1 . . . . 75 VAL N . 16947 1 584 . 1 1 76 76 VAL H H 1 7.934 0.010 . 1 . . . . 76 VAL H . 16947 1 585 . 1 1 76 76 VAL HA H 1 4.148 0.010 . 1 . . . . 76 VAL HA . 16947 1 586 . 1 1 76 76 VAL HB H 1 2.190 0.010 . 1 . . . . 76 VAL HB . 16947 1 587 . 1 1 76 76 VAL C C 13 177.848 0.010 . 1 . . . . 76 VAL C . 16947 1 588 . 1 1 76 76 VAL CA C 13 66.131 0.010 . 1 . . . . 76 VAL CA . 16947 1 589 . 1 1 76 76 VAL CB C 13 30.450 0.010 . 1 . . . . 76 VAL CB . 16947 1 590 . 1 1 76 76 VAL N N 15 120.227 0.010 . 1 . . . . 76 VAL N . 16947 1 591 . 1 1 77 77 VAL H H 1 8.412 0.010 . 1 . . . . 77 VAL H . 16947 1 592 . 1 1 77 77 VAL HA H 1 4.231 0.010 . 1 . . . . 77 VAL HA . 16947 1 593 . 1 1 77 77 VAL HB H 1 2.247 0.010 . 1 . . . . 77 VAL HB . 16947 1 594 . 1 1 77 77 VAL HG11 H 1 0.940 0.010 . 1 . . . . 77 VAL HG1 . 16947 1 595 . 1 1 77 77 VAL HG12 H 1 0.940 0.010 . 1 . . . . 77 VAL HG1 . 16947 1 596 . 1 1 77 77 VAL HG13 H 1 0.940 0.010 . 1 . . . . 77 VAL HG1 . 16947 1 597 . 1 1 77 77 VAL HG21 H 1 1.105 0.010 . 1 . . . . 77 VAL HG2 . 16947 1 598 . 1 1 77 77 VAL HG22 H 1 1.105 0.010 . 1 . . . . 77 VAL HG2 . 16947 1 599 . 1 1 77 77 VAL HG23 H 1 1.105 0.010 . 1 . . . . 77 VAL HG2 . 16947 1 600 . 1 1 77 77 VAL C C 13 177.902 0.010 . 1 . . . . 77 VAL C . 16947 1 601 . 1 1 77 77 VAL CA C 13 66.562 0.010 . 1 . . . . 77 VAL CA . 16947 1 602 . 1 1 77 77 VAL CB C 13 30.450 0.010 . 1 . . . . 77 VAL CB . 16947 1 603 . 1 1 77 77 VAL N N 15 119.254 0.010 . 1 . . . . 77 VAL N . 16947 1 604 . 1 1 78 78 GLU H H 1 7.843 0.010 . 1 . . . . 78 GLU H . 16947 1 605 . 1 1 78 78 GLU HA H 1 4.207 0.010 . 1 . . . . 78 GLU HA . 16947 1 606 . 1 1 78 78 GLU HB2 H 1 2.286 0.010 . 2 . . . . 78 GLU HB . 16947 1 607 . 1 1 78 78 GLU HB3 H 1 2.286 0.010 . 2 . . . . 78 GLU HB . 16947 1 608 . 1 1 78 78 GLU C C 13 179.039 0.010 . 1 . . . . 78 GLU C . 16947 1 609 . 1 1 78 78 GLU CA C 13 58.727 0.010 . 1 . . . . 78 GLU CA . 16947 1 610 . 1 1 78 78 GLU CB C 13 27.151 0.010 . 1 . . . . 78 GLU CB . 16947 1 611 . 1 1 78 78 GLU N N 15 119.520 0.010 . 1 . . . . 78 GLU N . 16947 1 612 . 1 1 79 79 GLN H H 1 8.151 0.010 . 1 . . . . 79 GLN H . 16947 1 613 . 1 1 79 79 GLN HA H 1 4.231 0.010 . 1 . . . . 79 GLN HA . 16947 1 614 . 1 1 79 79 GLN HB2 H 1 2.215 0.010 . 2 . . . . 79 GLN HB . 16947 1 615 . 1 1 79 79 GLN HB3 H 1 2.215 0.010 . 2 . . . . 79 GLN HB . 16947 1 616 . 1 1 79 79 GLN C C 13 179.556 0.010 . 1 . . . . 79 GLN C . 16947 1 617 . 1 1 79 79 GLN CA C 13 57.463 0.010 . 1 . . . . 79 GLN CA . 16947 1 618 . 1 1 79 79 GLN CB C 13 26.968 0.010 . 1 . . . . 79 GLN CB . 16947 1 619 . 1 1 79 79 GLN N N 15 118.028 0.010 . 1 . . . . 79 GLN N . 16947 1 620 . 1 1 80 80 LEU H H 1 8.546 0.010 . 1 . . . . 80 LEU H . 16947 1 621 . 1 1 80 80 LEU HA H 1 4.144 0.010 . 1 . . . . 80 LEU HA . 16947 1 622 . 1 1 80 80 LEU HB2 H 1 2.058 0.010 . 2 . . . . 80 LEU HB . 16947 1 623 . 1 1 80 80 LEU HB3 H 1 2.058 0.010 . 2 . . . . 80 LEU HB . 16947 1 624 . 1 1 80 80 LEU C C 13 179.029 0.010 . 1 . . . . 80 LEU C . 16947 1 625 . 1 1 80 80 LEU CA C 13 57.401 0.010 . 1 . . . . 80 LEU CA . 16947 1 626 . 1 1 80 80 LEU CB C 13 40.462 0.010 . 1 . . . . 80 LEU CB . 16947 1 627 . 1 1 80 80 LEU N N 15 122.275 0.010 . 1 . . . . 80 LEU N . 16947 1 628 . 1 1 81 81 GLU H H 1 8.435 0.010 . 1 . . . . 81 GLU H . 16947 1 629 . 1 1 81 81 GLU HA H 1 4.181 0.010 . 1 . . . . 81 GLU HA . 16947 1 630 . 1 1 81 81 GLU C C 13 179.610 0.010 . 1 . . . . 81 GLU C . 16947 1 631 . 1 1 81 81 GLU CA C 13 60.220 0.010 . 1 . . . . 81 GLU CA . 16947 1 632 . 1 1 81 81 GLU CB C 13 31.962 0.010 . 1 . . . . 81 GLU CB . 16947 1 633 . 1 1 81 81 GLU N N 15 118.464 0.010 . 1 . . . . 81 GLU N . 16947 1 634 . 1 1 82 82 GLU H H 1 8.223 0.010 . 1 . . . . 82 GLU H . 16947 1 635 . 1 1 82 82 GLU HA H 1 4.207 0.010 . 1 . . . . 82 GLU HA . 16947 1 636 . 1 1 82 82 GLU C C 13 178.512 0.010 . 1 . . . . 82 GLU C . 16947 1 637 . 1 1 82 82 GLU CA C 13 57.578 0.010 . 1 . . . . 82 GLU CA . 16947 1 638 . 1 1 82 82 GLU CB C 13 27.827 0.010 . 1 . . . . 82 GLU CB . 16947 1 639 . 1 1 82 82 GLU N N 15 118.834 0.010 . 1 . . . . 82 GLU N . 16947 1 640 . 1 1 83 83 SER H H 1 8.020 0.010 . 1 . . . . 83 SER H . 16947 1 641 . 1 1 83 83 SER HA H 1 4.103 0.010 . 1 . . . . 83 SER HA . 16947 1 642 . 1 1 83 83 SER HB2 H 1 4.664 0.010 . 2 . . . . 83 SER HB . 16947 1 643 . 1 1 83 83 SER HB3 H 1 4.664 0.010 . 2 . . . . 83 SER HB . 16947 1 644 . 1 1 83 83 SER C C 13 178.512 0.010 . 1 . . . . 83 SER C . 16947 1 645 . 1 1 83 83 SER CA C 13 60.162 0.010 . 1 . . . . 83 SER CA . 16947 1 646 . 1 1 83 83 SER CB C 13 63.149 0.010 . 1 . . . . 83 SER CB . 16947 1 647 . 1 1 83 83 SER N N 15 115.257 0.010 . 1 . . . . 83 SER N . 16947 1 648 . 1 1 84 84 ARG H H 1 7.862 0.010 . 1 . . . . 84 ARG H . 16947 1 649 . 1 1 84 84 ARG HA H 1 4.017 0.010 . 1 . . . . 84 ARG HA . 16947 1 650 . 1 1 84 84 ARG C C 13 178.059 0.010 . 1 . . . . 84 ARG C . 16947 1 651 . 1 1 84 84 ARG CA C 13 60.105 0.010 . 1 . . . . 84 ARG CA . 16947 1 652 . 1 1 84 84 ARG CB C 13 28.975 0.010 . 1 . . . . 84 ARG CB . 16947 1 653 . 1 1 84 84 ARG N N 15 122.717 0.010 . 1 . . . . 84 ARG N . 16947 1 654 . 1 1 85 85 GLN H H 1 8.500 0.010 . 1 . . . . 85 GLN H . 16947 1 655 . 1 1 85 85 GLN HA H 1 4.171 0.010 . 1 . . . . 85 GLN HA . 16947 1 656 . 1 1 85 85 GLN HB2 H 1 2.304 0.010 . 2 . . . . 85 GLN HB . 16947 1 657 . 1 1 85 85 GLN HB3 H 1 2.304 0.010 . 2 . . . . 85 GLN HB . 16947 1 658 . 1 1 85 85 GLN C C 13 178.716 0.010 . 1 . . . . 85 GLN C . 16947 1 659 . 1 1 85 85 GLN CA C 13 58.612 0.010 . 1 . . . . 85 GLN CA . 16947 1 660 . 1 1 85 85 GLN CB C 13 27.195 0.010 . 1 . . . . 85 GLN CB . 16947 1 661 . 1 1 85 85 GLN N N 15 119.100 0.010 . 1 . . . . 85 GLN N . 16947 1 662 . 1 1 86 86 ARG H H 1 8.058 0.010 . 1 . . . . 86 ARG H . 16947 1 663 . 1 1 86 86 ARG HA H 1 4.243 0.010 . 1 . . . . 86 ARG HA . 16947 1 664 . 1 1 86 86 ARG HB2 H 1 2.015 0.010 . 2 . . . . 86 ARG HB . 16947 1 665 . 1 1 86 86 ARG HB3 H 1 2.015 0.010 . 2 . . . . 86 ARG HB . 16947 1 666 . 1 1 86 86 ARG C C 13 178.781 0.010 . 1 . . . . 86 ARG C . 16947 1 667 . 1 1 86 86 ARG CA C 13 58.612 0.010 . 1 . . . . 86 ARG CA . 16947 1 668 . 1 1 86 86 ARG CB C 13 29.263 0.010 . 1 . . . . 86 ARG CB . 16947 1 669 . 1 1 86 86 ARG N N 15 120.149 0.010 . 1 . . . . 86 ARG N . 16947 1 670 . 1 1 87 87 LEU H H 1 8.280 0.010 . 1 . . . . 87 LEU H . 16947 1 671 . 1 1 87 87 LEU HA H 1 4.697 0.010 . 1 . . . . 87 LEU HA . 16947 1 672 . 1 1 87 87 LEU HB2 H 1 1.932 0.010 . 2 . . . . 87 LEU HB . 16947 1 673 . 1 1 87 87 LEU HB3 H 1 1.932 0.010 . 2 . . . . 87 LEU HB . 16947 1 674 . 1 1 87 87 LEU C C 13 178.501 0.010 . 1 . . . . 87 LEU C . 16947 1 675 . 1 1 87 87 LEU CA C 13 56.826 0.010 . 1 . . . . 87 LEU CA . 16947 1 676 . 1 1 87 87 LEU CB C 13 40.577 0.010 . 1 . . . . 87 LEU CB . 16947 1 677 . 1 1 87 87 LEU N N 15 119.365 0.010 . 1 . . . . 87 LEU N . 16947 1 678 . 1 1 88 88 SER H H 1 8.308 0.010 . 1 . . . . 88 SER H . 16947 1 679 . 1 1 88 88 SER HA H 1 4.211 0.010 . 1 . . . . 88 SER HA . 16947 1 680 . 1 1 88 88 SER HB2 H 1 4.141 0.010 . 2 . . . . 88 SER HB . 16947 1 681 . 1 1 88 88 SER HB3 H 1 4.141 0.010 . 2 . . . . 88 SER HB . 16947 1 682 . 1 1 88 88 SER CA C 13 61.364 0.010 . 1 . . . . 88 SER CA . 16947 1 683 . 1 1 88 88 SER CB C 13 61.773 0.010 . 1 . . . . 88 SER CB . 16947 1 684 . 1 1 88 88 SER N N 15 115.098 0.010 . 1 . . . . 88 SER N . 16947 1 685 . 1 1 89 89 ARG H H 1 7.805 0.010 . 1 . . . . 89 ARG H . 16947 1 686 . 1 1 89 89 ARG HA H 1 4.265 0.010 . 1 . . . . 89 ARG HA . 16947 1 687 . 1 1 89 89 ARG HB2 H 1 2.085 0.010 . 2 . . . . 89 ARG HB . 16947 1 688 . 1 1 89 89 ARG HB3 H 1 2.085 0.010 . 2 . . . . 89 ARG HB . 16947 1 689 . 1 1 89 89 ARG HG2 H 1 1.916 0.010 . 2 . . . . 89 ARG HG . 16947 1 690 . 1 1 89 89 ARG HG3 H 1 1.916 0.010 . 2 . . . . 89 ARG HG . 16947 1 691 . 1 1 89 89 ARG C C 13 178.891 0.010 . 1 . . . . 89 ARG C . 16947 1 692 . 1 1 89 89 ARG CA C 13 58.497 0.010 . 1 . . . . 89 ARG CA . 16947 1 693 . 1 1 89 89 ARG CB C 13 28.803 0.010 . 1 . . . . 89 ARG CB . 16947 1 694 . 1 1 89 89 ARG N N 15 120.985 0.010 . 1 . . . . 89 ARG N . 16947 1 695 . 1 1 90 90 LEU H H 1 7.831 0.010 . 1 . . . . 90 LEU H . 16947 1 696 . 1 1 90 90 LEU HA H 1 4.243 0.010 . 1 . . . . 90 LEU HA . 16947 1 697 . 1 1 90 90 LEU HB2 H 1 1.963 0.010 . 2 . . . . 90 LEU HB . 16947 1 698 . 1 1 90 90 LEU HB3 H 1 1.963 0.010 . 2 . . . . 90 LEU HB . 16947 1 699 . 1 1 90 90 LEU C C 13 178.404 0.010 . 1 . . . . 90 LEU C . 16947 1 700 . 1 1 90 90 LEU CA C 13 57.573 0.010 . 1 . . . . 90 LEU CA . 16947 1 701 . 1 1 90 90 LEU CB C 13 40.462 0.010 . 1 . . . . 90 LEU CB . 16947 1 702 . 1 1 90 90 LEU N N 15 121.355 0.010 . 1 . . . . 90 LEU N . 16947 1 703 . 1 1 91 91 VAL H H 1 8.268 0.010 . 1 . . . . 91 VAL H . 16947 1 704 . 1 1 91 91 VAL HA H 1 3.632 0.010 . 1 . . . . 91 VAL HA . 16947 1 705 . 1 1 91 91 VAL HB H 1 2.302 0.010 . 1 . . . . 91 VAL HB . 16947 1 706 . 1 1 91 91 VAL C C 13 177.769 0.010 . 1 . . . . 91 VAL C . 16947 1 707 . 1 1 91 91 VAL CA C 13 66.590 0.010 . 1 . . . . 91 VAL CA . 16947 1 708 . 1 1 91 91 VAL CB C 13 30.411 0.010 . 1 . . . . 91 VAL CB . 16947 1 709 . 1 1 91 91 VAL N N 15 118.952 0.010 . 1 . . . . 91 VAL N . 16947 1 710 . 1 1 92 92 GLN H H 1 8.015 0.010 . 1 . . . . 92 GLN H . 16947 1 711 . 1 1 92 92 GLN HA H 1 4.175 0.010 . 1 . . . . 92 GLN HA . 16947 1 712 . 1 1 92 92 GLN HB2 H 1 2.318 0.010 . 2 . . . . 92 GLN HB . 16947 1 713 . 1 1 92 92 GLN HB3 H 1 2.318 0.010 . 2 . . . . 92 GLN HB . 16947 1 714 . 1 1 92 92 GLN C C 13 178.850 0.010 . 1 . . . . 92 GLN C . 16947 1 715 . 1 1 92 92 GLN CA C 13 58.492 0.010 . 1 . . . . 92 GLN CA . 16947 1 716 . 1 1 92 92 GLN CB C 13 27.195 0.010 . 1 . . . . 92 GLN CB . 16947 1 717 . 1 1 92 92 GLN N N 15 119.011 0.010 . 1 . . . . 92 GLN N . 16947 1 718 . 1 1 93 93 LYS H H 1 7.926 0.010 . 1 . . . . 93 LYS H . 16947 1 719 . 1 1 93 93 LYS HA H 1 4.782 0.010 . 1 . . . . 93 LYS HA . 16947 1 720 . 1 1 93 93 LYS HB2 H 1 2.200 0.010 . 2 . . . . 93 LYS HB . 16947 1 721 . 1 1 93 93 LYS HB3 H 1 2.200 0.010 . 2 . . . . 93 LYS HB . 16947 1 722 . 1 1 93 93 LYS C C 13 179.169 0.010 . 1 . . . . 93 LYS C . 16947 1 723 . 1 1 93 93 LYS CA C 13 57.910 0.010 . 1 . . . . 93 LYS CA . 16947 1 724 . 1 1 93 93 LYS CB C 13 30.526 0.010 . 1 . . . . 93 LYS CB . 16947 1 725 . 1 1 93 93 LYS N N 15 120.085 0.010 . 1 . . . . 93 LYS N . 16947 1 726 . 1 1 94 94 LEU H H 1 8.310 0.010 . 1 . . . . 94 LEU H . 16947 1 727 . 1 1 94 94 LEU HA H 1 4.231 0.010 . 1 . . . . 94 LEU HA . 16947 1 728 . 1 1 94 94 LEU HB2 H 1 2.066 0.010 . 2 . . . . 94 LEU HB . 16947 1 729 . 1 1 94 94 LEU HB3 H 1 2.066 0.010 . 2 . . . . 94 LEU HB . 16947 1 730 . 1 1 94 94 LEU C C 13 179.104 0.010 . 1 . . . . 94 LEU C . 16947 1 731 . 1 1 94 94 LEU CA C 13 57.372 0.010 . 1 . . . . 94 LEU CA . 16947 1 732 . 1 1 94 94 LEU CB C 13 40.405 0.010 . 1 . . . . 94 LEU CB . 16947 1 733 . 1 1 94 94 LEU N N 15 120.473 0.010 . 1 . . . . 94 LEU N . 16947 1 734 . 1 1 95 95 GLU H H 1 8.477 0.010 . 1 . . . . 95 GLU H . 16947 1 735 . 1 1 95 95 GLU HA H 1 4.158 0.010 . 1 . . . . 95 GLU HA . 16947 1 736 . 1 1 95 95 GLU HB2 H 1 2.295 0.010 . 2 . . . . 95 GLU HB2 . 16947 1 737 . 1 1 95 95 GLU HB3 H 1 2.115 0.010 . 2 . . . . 95 GLU HB3 . 16947 1 738 . 1 1 95 95 GLU HG2 H 1 2.664 0.010 . 2 . . . . 95 GLU HG2 . 16947 1 739 . 1 1 95 95 GLU HG3 H 1 2.524 0.010 . 2 . . . . 95 GLU HG3 . 16947 1 740 . 1 1 95 95 GLU C C 13 178.899 0.010 . 1 . . . . 95 GLU C . 16947 1 741 . 1 1 95 95 GLU CA C 13 58.549 0.010 . 1 . . . . 95 GLU CA . 16947 1 742 . 1 1 95 95 GLU CB C 13 27.137 0.010 . 1 . . . . 95 GLU CB . 16947 1 743 . 1 1 95 95 GLU N N 15 118.623 0.010 . 1 . . . . 95 GLU N . 16947 1 744 . 1 1 96 96 GLU H H 1 8.076 0.010 . 1 . . . . 96 GLU H . 16947 1 745 . 1 1 96 96 GLU HA H 1 4.221 0.010 . 1 . . . . 96 GLU HA . 16947 1 746 . 1 1 96 96 GLU HB2 H 1 2.015 0.010 . 2 . . . . 96 GLU HB . 16947 1 747 . 1 1 96 96 GLU HB3 H 1 2.015 0.010 . 2 . . . . 96 GLU HB . 16947 1 748 . 1 1 96 96 GLU C C 13 179.072 0.010 . 1 . . . . 96 GLU C . 16947 1 749 . 1 1 96 96 GLU CA C 13 58.439 0.010 . 1 . . . . 96 GLU CA . 16947 1 750 . 1 1 96 96 GLU CB C 13 26.793 0.010 . 1 . . . . 96 GLU CB . 16947 1 751 . 1 1 96 96 GLU N N 15 119.997 0.010 . 1 . . . . 96 GLU N . 16947 1 752 . 1 1 97 97 MET H H 1 8.178 0.010 . 1 . . . . 97 MET H . 16947 1 753 . 1 1 97 97 MET HA H 1 4.238 0.010 . 1 . . . . 97 MET HA . 16947 1 754 . 1 1 97 97 MET HB2 H 1 2.341 0.010 . 2 . . . . 97 MET HB . 16947 1 755 . 1 1 97 97 MET HB3 H 1 2.341 0.010 . 2 . . . . 97 MET HB . 16947 1 756 . 1 1 97 97 MET CA C 13 58.463 0.010 . 1 . . . . 97 MET CA . 16947 1 757 . 1 1 97 97 MET CB C 13 28.056 0.010 . 1 . . . . 97 MET CB . 16947 1 758 . 1 1 97 97 MET N N 15 118.694 0.010 . 1 . . . . 97 MET N . 16947 1 759 . 1 1 98 98 ARG H H 1 8.134 0.010 . 1 . . . . 98 ARG H . 16947 1 760 . 1 1 98 98 ARG HA H 1 4.200 0.010 . 1 . . . . 98 ARG HA . 16947 1 761 . 1 1 98 98 ARG HB2 H 1 2.275 0.010 . 2 . . . . 98 ARG HB . 16947 1 762 . 1 1 98 98 ARG HB3 H 1 2.275 0.010 . 2 . . . . 98 ARG HB . 16947 1 763 . 1 1 98 98 ARG C C 13 177.538 0.010 . 1 . . . . 98 ARG C . 16947 1 764 . 1 1 98 98 ARG CA C 13 58.095 0.010 . 1 . . . . 98 ARG CA . 16947 1 765 . 1 1 98 98 ARG CB C 13 28.975 0.010 . 1 . . . . 98 ARG CB . 16947 1 766 . 1 1 98 98 ARG N N 15 119.472 0.010 . 1 . . . . 98 ARG N . 16947 1 767 . 1 1 99 99 GLU H H 1 7.958 0.010 . 1 . . . . 99 GLU H . 16947 1 768 . 1 1 99 99 GLU HA H 1 4.276 0.010 . 1 . . . . 99 GLU HA . 16947 1 769 . 1 1 99 99 GLU HB2 H 1 2.187 0.010 . 2 . . . . 99 GLU HB . 16947 1 770 . 1 1 99 99 GLU HB3 H 1 2.187 0.010 . 2 . . . . 99 GLU HB . 16947 1 771 . 1 1 99 99 GLU HG2 H 1 2.634 0.010 . 2 . . . . 99 GLU HG2 . 16947 1 772 . 1 1 99 99 GLU HG3 H 1 2.464 0.010 . 2 . . . . 99 GLU HG3 . 16947 1 773 . 1 1 99 99 GLU C C 13 177.333 0.010 . 1 . . . . 99 GLU C . 16947 1 774 . 1 1 99 99 GLU CA C 13 57.061 0.010 . 1 . . . . 99 GLU CA . 16947 1 775 . 1 1 99 99 GLU CB C 13 27.827 0.010 . 1 . . . . 99 GLU CB . 16947 1 776 . 1 1 99 99 GLU N N 15 117.970 0.010 . 1 . . . . 99 GLU N . 16947 1 777 . 1 1 100 100 ARG H H 1 7.878 0.010 . 1 . . . . 100 ARG H . 16947 1 778 . 1 1 100 100 ARG HA H 1 4.405 0.010 . 1 . . . . 100 ARG HA . 16947 1 779 . 1 1 100 100 ARG HB2 H 1 1.988 0.010 . 2 . . . . 100 ARG HB . 16947 1 780 . 1 1 100 100 ARG HB3 H 1 1.988 0.010 . 2 . . . . 100 ARG HB . 16947 1 781 . 1 1 100 100 ARG C C 13 176.627 0.010 . 1 . . . . 100 ARG C . 16947 1 782 . 1 1 100 100 ARG CA C 13 56.544 0.010 . 1 . . . . 100 ARG CA . 16947 1 783 . 1 1 100 100 ARG CB C 13 30.076 0.010 . 1 . . . . 100 ARG CB . 16947 1 784 . 1 1 100 100 ARG N N 15 119.078 0.010 . 1 . . . . 100 ARG N . 16947 1 785 . 1 1 101 101 ASP H H 1 8.291 0.010 . 1 . . . . 101 ASP H . 16947 1 786 . 1 1 101 101 ASP HA H 1 4.729 0.010 . 1 . . . . 101 ASP HA . 16947 1 787 . 1 1 101 101 ASP HB2 H 1 2.799 0.010 . 2 . . . . 101 ASP HB2 . 16947 1 788 . 1 1 101 101 ASP HB3 H 1 2.951 0.010 . 2 . . . . 101 ASP HB3 . 16947 1 789 . 1 1 101 101 ASP C C 13 175.707 0.010 . 1 . . . . 101 ASP C . 16947 1 790 . 1 1 101 101 ASP CA C 13 53.845 0.010 . 1 . . . . 101 ASP CA . 16947 1 791 . 1 1 101 101 ASP CB C 13 38.337 0.010 . 1 . . . . 101 ASP CB . 16947 1 792 . 1 1 101 101 ASP N N 15 118.630 0.010 . 1 . . . . 101 ASP N . 16947 1 793 . 1 1 102 102 LEU H H 1 8.075 0.010 . 1 . . . . 102 LEU H . 16947 1 794 . 1 1 102 102 LEU HA H 1 4.508 0.010 . 1 . . . . 102 LEU HA . 16947 1 795 . 1 1 102 102 LEU HB2 H 1 1.773 0.010 . 2 . . . . 102 LEU HB . 16947 1 796 . 1 1 102 102 LEU HB3 H 1 1.773 0.010 . 2 . . . . 102 LEU HB . 16947 1 797 . 1 1 102 102 LEU C C 13 177.044 0.010 . 1 . . . . 102 LEU C . 16947 1 798 . 1 1 102 102 LEU CA C 13 55.223 0.010 . 1 . . . . 102 LEU CA . 16947 1 799 . 1 1 102 102 LEU CB C 13 41.381 0.010 . 1 . . . . 102 LEU CB . 16947 1 800 . 1 1 102 102 LEU N N 15 122.222 0.010 . 1 . . . . 102 LEU N . 16947 1 801 . 1 1 103 103 SER H H 1 8.184 0.010 . 1 . . . . 103 SER H . 16947 1 802 . 1 1 103 103 SER HA H 1 4.567 0.010 . 1 . . . . 103 SER HA . 16947 1 803 . 1 1 103 103 SER HB2 H 1 3.985 0.010 . 2 . . . . 103 SER HB . 16947 1 804 . 1 1 103 103 SER HB3 H 1 3.985 0.010 . 2 . . . . 103 SER HB . 16947 1 805 . 1 1 103 103 SER C C 13 174.535 0.010 . 1 . . . . 103 SER C . 16947 1 806 . 1 1 103 103 SER CA C 13 57.980 0.010 . 1 . . . . 103 SER CA . 16947 1 807 . 1 1 103 103 SER CB C 13 62.986 0.010 . 1 . . . . 103 SER CB . 16947 1 808 . 1 1 103 103 SER N N 15 116.402 0.010 . 1 . . . . 103 SER N . 16947 1 809 . 1 1 104 104 LEU H H 1 8.099 0.010 . 1 . . . . 104 LEU H . 16947 1 810 . 1 1 104 104 LEU HA H 1 4.449 0.010 . 1 . . . . 104 LEU HA . 16947 1 811 . 1 1 104 104 LEU HB2 H 1 1.752 0.010 . 2 . . . . 104 LEU HB . 16947 1 812 . 1 1 104 104 LEU HB3 H 1 1.752 0.010 . 2 . . . . 104 LEU HB . 16947 1 813 . 1 1 104 104 LEU C C 13 176.741 0.010 . 1 . . . . 104 LEU C . 16947 1 814 . 1 1 104 104 LEU CA C 13 55.051 0.010 . 1 . . . . 104 LEU CA . 16947 1 815 . 1 1 104 104 LEU CB C 13 41.496 0.010 . 1 . . . . 104 LEU CB . 16947 1 816 . 1 1 104 104 LEU N N 15 123.592 0.010 . 1 . . . . 104 LEU N . 16947 1 817 . 1 1 105 105 ASN H H 1 8.338 0.010 . 1 . . . . 105 ASN H . 16947 1 818 . 1 1 105 105 ASN HA H 1 4.773 0.010 . 1 . . . . 105 ASN HA . 16947 1 819 . 1 1 105 105 ASN HB2 H 1 2.939 0.010 . 2 . . . . 105 ASN HB2 . 16947 1 820 . 1 1 105 105 ASN HB3 H 1 2.863 0.010 . 2 . . . . 105 ASN HB3 . 16947 1 821 . 1 1 105 105 ASN C C 13 175.313 0.010 . 1 . . . . 105 ASN C . 16947 1 822 . 1 1 105 105 ASN CA C 13 53.328 0.010 . 1 . . . . 105 ASN CA . 16947 1 823 . 1 1 105 105 ASN CB C 13 38.165 0.010 . 1 . . . . 105 ASN CB . 16947 1 824 . 1 1 105 105 ASN N N 15 119.696 0.010 . 1 . . . . 105 ASN N . 16947 1 825 . 1 1 106 106 VAL H H 1 7.920 0.010 . 1 . . . . 106 VAL H . 16947 1 826 . 1 1 106 106 VAL HA H 1 4.147 0.010 . 1 . . . . 106 VAL HA . 16947 1 827 . 1 1 106 106 VAL HB H 1 2.194 0.010 . 1 . . . . 106 VAL HB . 16947 1 828 . 1 1 106 106 VAL HG11 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 829 . 1 1 106 106 VAL HG12 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 830 . 1 1 106 106 VAL HG13 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 831 . 1 1 106 106 VAL HG21 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 832 . 1 1 106 106 VAL HG22 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 833 . 1 1 106 106 VAL HG23 H 1 1.042 0.010 . 2 . . . . 106 VAL HG . 16947 1 834 . 1 1 106 106 VAL C C 13 175.938 0.010 . 1 . . . . 106 VAL C . 16947 1 835 . 1 1 106 106 VAL CA C 13 62.110 0.010 . 1 . . . . 106 VAL CA . 16947 1 836 . 1 1 106 106 VAL CB C 13 31.905 0.010 . 1 . . . . 106 VAL CB . 16947 1 837 . 1 1 106 106 VAL N N 15 120.089 0.010 . 1 . . . . 106 VAL N . 16947 1 838 . 1 1 107 107 GLN H H 1 8.307 0.010 . 1 . . . . 107 GLN H . 16947 1 839 . 1 1 107 107 GLN HA H 1 4.448 0.010 . 1 . . . . 107 GLN HA . 16947 1 840 . 1 1 107 107 GLN HB2 H 1 2.173 0.010 . 2 . . . . 107 GLN HB . 16947 1 841 . 1 1 107 107 GLN HB3 H 1 2.173 0.010 . 2 . . . . 107 GLN HB . 16947 1 842 . 1 1 107 107 GLN HG2 H 1 2.464 0.010 . 2 . . . . 107 GLN HG . 16947 1 843 . 1 1 107 107 GLN HG3 H 1 2.464 0.010 . 2 . . . . 107 GLN HG . 16947 1 844 . 1 1 107 107 GLN C C 13 176.605 0.010 . 1 . . . . 107 GLN C . 16947 1 845 . 1 1 107 107 GLN CA C 13 55.505 0.010 . 1 . . . . 107 GLN CA . 16947 1 846 . 1 1 107 107 GLN CB C 13 28.238 0.010 . 1 . . . . 107 GLN CB . 16947 1 847 . 1 1 107 107 GLN N N 15 122.974 0.010 . 1 . . . . 107 GLN N . 16947 1 848 . 1 1 108 108 LEU H H 1 8.272 0.010 . 1 . . . . 108 LEU H . 16947 1 849 . 1 1 108 108 LEU HA H 1 4.393 0.010 . 1 . . . . 108 LEU HA . 16947 1 850 . 1 1 108 108 LEU HB2 H 1 1.795 0.010 . 2 . . . . 108 LEU HB . 16947 1 851 . 1 1 108 108 LEU HB3 H 1 1.795 0.010 . 2 . . . . 108 LEU HB . 16947 1 852 . 1 1 108 108 LEU C C 13 177.678 0.010 . 1 . . . . 108 LEU C . 16947 1 853 . 1 1 108 108 LEU CA C 13 55.431 0.010 . 1 . . . . 108 LEU CA . 16947 1 854 . 1 1 108 108 LEU CB C 13 41.209 0.010 . 1 . . . . 108 LEU CB . 16947 1 855 . 1 1 108 108 LEU N N 15 122.949 0.010 . 1 . . . . 108 LEU N . 16947 1 856 . 1 1 109 109 LYS H H 1 8.159 0.010 . 1 . . . . 109 LYS H . 16947 1 857 . 1 1 109 109 LYS HA H 1 4.267 0.010 . 1 . . . . 109 LYS HA . 16947 1 858 . 1 1 109 109 LYS HB2 H 1 1.935 0.010 . 2 . . . . 109 LYS HB . 16947 1 859 . 1 1 109 109 LYS HB3 H 1 1.935 0.010 . 2 . . . . 109 LYS HB . 16947 1 860 . 1 1 109 109 LYS C C 13 176.967 0.010 . 1 . . . . 109 LYS C . 16947 1 861 . 1 1 109 109 LYS CA C 13 56.982 0.010 . 1 . . . . 109 LYS CA . 16947 1 862 . 1 1 109 109 LYS CB C 13 31.617 0.010 . 1 . . . . 109 LYS CB . 16947 1 863 . 1 1 109 109 LYS N N 15 120.211 0.010 . 1 . . . . 109 LYS N . 16947 1 864 . 1 1 110 110 ASP H H 1 8.257 0.010 . 1 . . . . 110 ASP H . 16947 1 865 . 1 1 110 110 ASP HA H 1 4.681 0.010 . 1 . . . . 110 ASP HA . 16947 1 866 . 1 1 110 110 ASP HB2 H 1 2.784 0.010 . 2 . . . . 110 ASP HB . 16947 1 867 . 1 1 110 110 ASP HB3 H 1 2.784 0.010 . 2 . . . . 110 ASP HB . 16947 1 868 . 1 1 110 110 ASP C C 13 176.842 0.010 . 1 . . . . 110 ASP C . 16947 1 869 . 1 1 110 110 ASP CA C 13 54.213 0.010 . 1 . . . . 110 ASP CA . 16947 1 870 . 1 1 110 110 ASP CB C 13 39.199 0.010 . 1 . . . . 110 ASP CB . 16947 1 871 . 1 1 110 110 ASP N N 15 119.706 0.010 . 1 . . . . 110 ASP N . 16947 1 872 . 1 1 111 111 ASN H H 1 8.178 0.010 . 1 . . . . 111 ASN H . 16947 1 873 . 1 1 111 111 ASN HA H 1 4.734 0.010 . 1 . . . . 111 ASN HA . 16947 1 874 . 1 1 111 111 ASN HB2 H 1 2.866 0.010 . 2 . . . . 111 ASN HB . 16947 1 875 . 1 1 111 111 ASN HB3 H 1 2.866 0.010 . 2 . . . . 111 ASN HB . 16947 1 876 . 1 1 111 111 ASN C C 13 175.884 0.010 . 1 . . . . 111 ASN C . 16947 1 877 . 1 1 111 111 ASN CA C 13 53.610 0.010 . 1 . . . . 111 ASN CA . 16947 1 878 . 1 1 111 111 ASN CB C 13 38.519 0.010 . 1 . . . . 111 ASN CB . 16947 1 879 . 1 1 111 111 ASN N N 15 118.494 0.010 . 1 . . . . 111 ASN N . 16947 1 880 . 1 1 112 112 ILE H H 1 8.021 0.010 . 1 . . . . 112 ILE H . 16947 1 881 . 1 1 112 112 ILE HA H 1 4.146 0.010 . 1 . . . . 112 ILE HA . 16947 1 882 . 1 1 112 112 ILE HB H 1 2.034 0.010 . 1 . . . . 112 ILE HB . 16947 1 883 . 1 1 112 112 ILE HG21 H 1 1.010 0.010 . 1 . . . . 112 ILE HG2 . 16947 1 884 . 1 1 112 112 ILE HG22 H 1 1.010 0.010 . 1 . . . . 112 ILE HG2 . 16947 1 885 . 1 1 112 112 ILE HG23 H 1 1.010 0.010 . 1 . . . . 112 ILE HG2 . 16947 1 886 . 1 1 112 112 ILE C C 13 176.129 0.010 . 1 . . . . 112 ILE C . 16947 1 887 . 1 1 112 112 ILE CA C 13 61.828 0.010 . 1 . . . . 112 ILE CA . 16947 1 888 . 1 1 112 112 ILE CB C 13 37.131 0.010 . 1 . . . . 112 ILE CB . 16947 1 889 . 1 1 112 112 ILE N N 15 120.323 0.010 . 1 . . . . 112 ILE N . 16947 1 890 . 1 1 113 113 ALA H H 1 8.059 0.010 . 1 . . . . 113 ALA H . 16947 1 891 . 1 1 113 113 ALA HA H 1 4.384 0.010 . 1 . . . . 113 ALA HA . 16947 1 892 . 1 1 113 113 ALA HB1 H 1 1.524 0.010 . 1 . . . . 113 ALA HB . 16947 1 893 . 1 1 113 113 ALA HB2 H 1 1.524 0.010 . 1 . . . . 113 ALA HB . 16947 1 894 . 1 1 113 113 ALA HB3 H 1 1.524 0.010 . 1 . . . . 113 ALA HB . 16947 1 895 . 1 1 113 113 ALA C C 13 177.446 0.010 . 1 . . . . 113 ALA C . 16947 1 896 . 1 1 113 113 ALA CA C 13 52.409 0.010 . 1 . . . . 113 ALA CA . 16947 1 897 . 1 1 113 113 ALA CB C 13 18.005 0.010 . 1 . . . . 113 ALA CB . 16947 1 898 . 1 1 113 113 ALA N N 15 124.742 0.010 . 1 . . . . 113 ALA N . 16947 1 899 . 1 1 114 114 GLN H H 1 7.922 0.010 . 1 . . . . 114 GLN H . 16947 1 900 . 1 1 114 114 GLN HA H 1 4.413 0.010 . 1 . . . . 114 GLN HA . 16947 1 901 . 1 1 114 114 GLN HB2 H 1 2.068 0.010 . 2 . . . . 114 GLN HB . 16947 1 902 . 1 1 114 114 GLN HB3 H 1 2.068 0.010 . 2 . . . . 114 GLN HB . 16947 1 903 . 1 1 114 114 GLN HG2 H 1 2.476 0.010 . 2 . . . . 114 GLN HG2 . 16947 1 904 . 1 1 114 114 GLN HG3 H 1 2.267 0.010 . 2 . . . . 114 GLN HG3 . 16947 1 905 . 1 1 114 114 GLN C C 13 175.438 0.010 . 1 . . . . 114 GLN C . 16947 1 906 . 1 1 114 114 GLN CA C 13 55.280 0.010 . 1 . . . . 114 GLN CA . 16947 1 907 . 1 1 114 114 GLN CB C 13 28.525 0.010 . 1 . . . . 114 GLN CB . 16947 1 908 . 1 1 114 114 GLN N N 15 117.913 0.010 . 1 . . . . 114 GLN N . 16947 1 909 . 1 1 115 115 LEU H H 1 7.802 0.010 . 1 . . . . 115 LEU H . 16947 1 910 . 1 1 115 115 LEU HA H 1 4.313 0.010 . 1 . . . . 115 LEU HA . 16947 1 911 . 1 1 115 115 LEU HB2 H 1 1.770 0.010 . 2 . . . . 115 LEU HB . 16947 1 912 . 1 1 115 115 LEU HB3 H 1 1.770 0.010 . 2 . . . . 115 LEU HB . 16947 1 913 . 1 1 115 115 LEU C C 13 180.515 0.010 . 1 . . . . 115 LEU C . 16947 1 914 . 1 1 115 115 LEU CA C 13 54.902 0.010 . 1 . . . . 115 LEU CA . 16947 1 915 . 1 1 115 115 LEU CB C 13 41.554 0.010 . 1 . . . . 115 LEU CB . 16947 1 916 . 1 1 115 115 LEU N N 15 126.118 0.010 . 1 . . . . 115 LEU N . 16947 1 stop_ save_