data_5838 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5838 _Entry.Title ; Structural Model for Calcium Dependent Activation of Ndr Kinase by S100B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-21 _Entry.Accession_date 2003-06-23 _Entry.Last_release_date 2003-12-19 _Entry.Original_release_date 2003-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shibani Bhattacharya . . . 5838 2 Edward Large . . . 5838 3 Claus Heizmann . W. . 5838 4 Brian Hemmings . . . 5838 5 Walter Chazin . J. . 5838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 774 5838 '13C chemical shifts' 380 5838 '15N chemical shifts' 92 5838 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-19 2003-06-21 original author . 5838 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5838 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14661952 _Citation.Full_citation . _Citation.Title ; Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 49 _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 14416 _Citation.Page_last 14426 _Citation.Year 2003 _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 Shibani Bhattacharya . . . 5838 1 2 Edward Large . . . 5838 1 3 Claus Heizmann . W. . 5838 1 4 Brian Hemmings . . . 5838 1 5 Walter Chazin . J. . 5838 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 5838 1 EF-hand 5838 1 'S100 proteins' 5838 1 NMR 5838 1 'signal transduction' 5838 1 'NDR kinase' 5838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_S100B _Assembly.Sf_category assembly _Assembly.Sf_framecode system_S100B _Assembly.Entry_ID 5838 _Assembly.ID 1 _Assembly.Name 'S100B-NDR kinase peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 5838 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'S100B Subunit 1' 1 $S100B . . . native . . . . . 5838 1 2 'S100B Subunit 2' 1 $S100B . . . native . . . . . 5838 1 3 'NDR kinase peptide 1' 2 $NDR_peptide . . . native . . . . . 5838 1 4 'NDR kinase peptide 2' 2 $NDR_peptide . . . native . . . . . 5838 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S100B-NDR kinase peptide complex' system 5838 1 S100B-NDR abbreviation 5838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100B _Entity.Sf_category entity _Entity.Sf_framecode S100B _Entity.Entry_ID 5838 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'subunit of homodimer' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SELEKAVVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DSDGDGECDFQEFMAFVAMI TTACHEFFEHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PSB . "Solution Structure Of Calcium Loaded S100b Complexed To A Peptide From N-Terminal Regulatory Domain Of Ndr Kinase" . . . . . 100.00 26 100.00 100.00 1.84e-06 . . . . 5838 1 2 no DBJ BAC29170 . "unnamed protein product [Mus musculus]" . . . . . 100.00 268 100.00 100.00 3.54e-06 . . . . 5838 1 3 no DBJ BAC37841 . "unnamed protein product [Mus musculus]" . . . . . 100.00 106 100.00 100.00 1.29e-06 . . . . 5838 1 4 no DBJ BAG10255 . "serine/threonine-protein kinase 38 [synthetic construct]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 5 no DBJ BAG35456 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 6 no EMBL CAA84485 . "Ndr protein kinase [Homo sapiens]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 7 no EMBL CAH91889 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 8 no EMBL CAH92600 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 9 no GB AAD50530 . "Ndr Ser/Thr kinase-like protein [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 1.53e-06 . . . . 5838 1 10 no GB AAH09658 . "Serine/threonine kinase 38 [Mus musculus]" . . . . . 100.00 465 100.00 100.00 6.10e-06 . . . . 5838 1 11 no GB AAH12085 . "Serine/threonine kinase 38 [Homo sapiens]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 12 no GB AAH95413 . "Serine/threonine kinase 38 [Homo sapiens]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 13 no GB AAI33418 . "Serine/threonine kinase 38 [Bos taurus]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 14 no REF NP_001075071 . "serine/threonine-protein kinase 38 [Bos taurus]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 15 no REF NP_001126095 . "serine/threonine-protein kinase 38 [Pongo abelii]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 16 no REF NP_001247519 . "serine/threonine-protein kinase 38 [Macaca mulatta]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 17 no REF NP_009202 . "serine/threonine-protein kinase 38 [Homo sapiens]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 18 no REF NP_598876 . "serine/threonine-protein kinase 38 [Mus musculus]" . . . . . 100.00 465 100.00 100.00 6.10e-06 . . . . 5838 1 19 no SP A2VDV2 . "RecName: Full=Serine/threonine-protein kinase 38 [Bos taurus]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 20 no SP Q15208 . "RecName: Full=Serine/threonine-protein kinase 38; AltName: Full=NDR1 protein kinase; AltName: Full=Nuclear Dbf2-related kinase " . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 21 no SP Q5R8M1 . "RecName: Full=Serine/threonine-protein kinase 38 [Pongo abelii]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 22 no SP Q91VJ4 . "RecName: Full=Serine/threonine-protein kinase 38; AltName: Full=NDR1 protein kinase; AltName: Full=Nuclear Dbf2-related kinase " . . . . . 100.00 465 100.00 100.00 6.10e-06 . . . . 5838 1 23 no TPG DAA16631 . "TPA: serine/threonine kinase 38 [Bos taurus]" . . . . . 100.00 465 100.00 100.00 5.92e-06 . . . . 5838 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'subunit of homodimer' common 5838 1 S100B abbreviation 5838 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 . SER . 5838 1 2 . GLU . 5838 1 3 . LEU . 5838 1 4 . GLU . 5838 1 5 . LYS . 5838 1 6 . ALA . 5838 1 7 . VAL . 5838 1 8 . VAL . 5838 1 9 . ALA . 5838 1 10 . LEU . 5838 1 11 . ILE . 5838 1 12 . ASP . 5838 1 13 . VAL . 5838 1 14 . PHE . 5838 1 15 . HIS . 5838 1 16 . GLN . 5838 1 17 . TYR . 5838 1 18 . SER . 5838 1 19 . GLY . 5838 1 20 . ARG . 5838 1 21 . GLU . 5838 1 22 . GLY . 5838 1 23 . ASP . 5838 1 24 . LYS . 5838 1 25 . HIS . 5838 1 26 . LYS . 5838 1 27 . LEU . 5838 1 28 . LYS . 5838 1 29 . LYS . 5838 1 30 . SER . 5838 1 31 . GLU . 5838 1 32 . LEU . 5838 1 33 . LYS . 5838 1 34 . GLU . 5838 1 35 . LEU . 5838 1 36 . ILE . 5838 1 37 . ASN . 5838 1 38 . ASN . 5838 1 39 . GLU . 5838 1 40 . LEU . 5838 1 41 . SER . 5838 1 42 . HIS . 5838 1 43 . PHE . 5838 1 44 . LEU . 5838 1 45 . GLU . 5838 1 46 . GLU . 5838 1 47 . ILE . 5838 1 48 . LYS . 5838 1 49 . GLU . 5838 1 50 . GLN . 5838 1 51 . GLU . 5838 1 52 . VAL . 5838 1 53 . VAL . 5838 1 54 . ASP . 5838 1 55 . LYS . 5838 1 56 . VAL . 5838 1 57 . MET . 5838 1 58 . GLU . 5838 1 59 . THR . 5838 1 60 . LEU . 5838 1 61 . ASP . 5838 1 62 . SER . 5838 1 63 . ASP . 5838 1 64 . GLY . 5838 1 65 . ASP . 5838 1 66 . GLY . 5838 1 67 . GLU . 5838 1 68 . CYS . 5838 1 69 . ASP . 5838 1 70 . PHE . 5838 1 71 . GLN . 5838 1 72 . GLU . 5838 1 73 . PHE . 5838 1 74 . MET . 5838 1 75 . ALA . 5838 1 76 . PHE . 5838 1 77 . VAL . 5838 1 78 . ALA . 5838 1 79 . MET . 5838 1 80 . ILE . 5838 1 81 . THR . 5838 1 82 . THR . 5838 1 83 . ALA . 5838 1 84 . CYS . 5838 1 85 . HIS . 5838 1 86 . GLU . 5838 1 87 . PHE . 5838 1 88 . PHE . 5838 1 89 . GLU . 5838 1 90 . HIS . 5838 1 91 . GLU . 5838 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 5838 1 . GLU 2 2 5838 1 . LEU 3 3 5838 1 . GLU 4 4 5838 1 . LYS 5 5 5838 1 . ALA 6 6 5838 1 . VAL 7 7 5838 1 . VAL 8 8 5838 1 . ALA 9 9 5838 1 . LEU 10 10 5838 1 . ILE 11 11 5838 1 . ASP 12 12 5838 1 . VAL 13 13 5838 1 . PHE 14 14 5838 1 . HIS 15 15 5838 1 . GLN 16 16 5838 1 . TYR 17 17 5838 1 . SER 18 18 5838 1 . GLY 19 19 5838 1 . ARG 20 20 5838 1 . GLU 21 21 5838 1 . GLY 22 22 5838 1 . ASP 23 23 5838 1 . LYS 24 24 5838 1 . HIS 25 25 5838 1 . LYS 26 26 5838 1 . LEU 27 27 5838 1 . LYS 28 28 5838 1 . LYS 29 29 5838 1 . SER 30 30 5838 1 . GLU 31 31 5838 1 . LEU 32 32 5838 1 . LYS 33 33 5838 1 . GLU 34 34 5838 1 . LEU 35 35 5838 1 . ILE 36 36 5838 1 . ASN 37 37 5838 1 . ASN 38 38 5838 1 . GLU 39 39 5838 1 . LEU 40 40 5838 1 . SER 41 41 5838 1 . HIS 42 42 5838 1 . PHE 43 43 5838 1 . LEU 44 44 5838 1 . GLU 45 45 5838 1 . GLU 46 46 5838 1 . ILE 47 47 5838 1 . LYS 48 48 5838 1 . GLU 49 49 5838 1 . GLN 50 50 5838 1 . GLU 51 51 5838 1 . VAL 52 52 5838 1 . VAL 53 53 5838 1 . ASP 54 54 5838 1 . LYS 55 55 5838 1 . VAL 56 56 5838 1 . MET 57 57 5838 1 . GLU 58 58 5838 1 . THR 59 59 5838 1 . LEU 60 60 5838 1 . ASP 61 61 5838 1 . SER 62 62 5838 1 . ASP 63 63 5838 1 . GLY 64 64 5838 1 . ASP 65 65 5838 1 . GLY 66 66 5838 1 . GLU 67 67 5838 1 . CYS 68 68 5838 1 . ASP 69 69 5838 1 . PHE 70 70 5838 1 . GLN 71 71 5838 1 . GLU 72 72 5838 1 . PHE 73 73 5838 1 . MET 74 74 5838 1 . ALA 75 75 5838 1 . PHE 76 76 5838 1 . VAL 77 77 5838 1 . ALA 78 78 5838 1 . MET 79 79 5838 1 . ILE 80 80 5838 1 . THR 81 81 5838 1 . THR 82 82 5838 1 . ALA 83 83 5838 1 . CYS 84 84 5838 1 . HIS 85 85 5838 1 . GLU 86 86 5838 1 . PHE 87 87 5838 1 . PHE 88 88 5838 1 . GLU 89 89 5838 1 . HIS 90 90 5838 1 . GLU 91 91 5838 1 stop_ save_ save_NDR_peptide _Entity.Sf_category entity _Entity.Sf_framecode NDR_peptide _Entity.Entry_ID 5838 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KRLRRSAHARKETEFLRLKR TRLGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q5R8M1 . 'Serine/threonine-protein kinase 38' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . SWISS-PROT Q91VJ4 . 'Serine/threonine-protein kinase 38 (NDR1 protein kinase) (Nuclear Dbf2-related kinase 1)' . . . . . 100.00 465 100.00 100.00 4.12e-05 . . . . 5838 2 . . SWISS-PROT A2VDV2 . 'Serine/threonine-protein kinase 38' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . SWISS-PROT Q15208 . 'Serine/threonine-protein kinase 38 (NDR1 protein kinase) (Nuclear Dbf2-related kinase 1)' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . REF XP_001116801 . 'PREDICTED: serine/threonine kinase 38 isoform 1 [Macaca mulatta]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . REF XP_001116805 . 'PREDICTED: serine/threonine kinase 38 isoform 2 [Macaca mulatta]' . . . . . 100.00 463 100.00 100.00 4.05e-05 . . . . 5838 2 . . REF NP_009202 . 'serine/threonine kinase 38 [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . REF NP_598876 . 'serine/threonine kinase 38 [Mus musculus]' . . . . . 100.00 465 100.00 100.00 4.12e-05 . . . . 5838 2 . . GenBank AAI33418 . 'Serine/threonine kinase 38 [Bos taurus]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . REF NP_001075071 . 'serine/threonine kinase 38 [Bos taurus]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . GenBank AAH12085 . 'Serine/threonine kinase 38 [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . GenBank AAH95413 . 'Serine/threonine kinase 38 [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . GenBank AAD50530 . 'Ndr Ser/Thr kinase-like protein [Homo sapiens]' . . . . . 100.00 191 100.00 100.00 5.11e-05 . . . . 5838 2 . . GenBank AAH09658 . 'Serine/threonine kinase 38 [Mus musculus]' . . . . . 100.00 465 100.00 100.00 4.12e-05 . . . . 5838 2 . . EMBL CAH92600 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . EMBL CAQ51741 . 'serine/threonine kinase 38 [Mus musculus]' . . . . . 100.00 465 100.00 100.00 4.12e-05 . . . . 5838 2 . . EMBL CAB39180 . 'serine/threonine kinase 38 [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . EMBL CAH91889 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . DBJ BAG35456 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . EMBL CAA84485 . 'Ndr protein kinase [Homo sapiens]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . DBJ BAC37841 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 106 100.00 100.00 6.85e-05 . . . . 5838 2 . . DBJ BAG10255 . 'serine/threonine-protein kinase 38 [synthetic construct]' . . . . . 100.00 465 100.00 100.00 4.01e-05 . . . . 5838 2 . . PDB 1PSB . 'Solution Structure Of Calcium Loaded S100b Complexed To A Peptide From N-Terminal Regulatory Domain Of Ndr Kinase' . . . . . 100.00 26 100.00 100.00 1.91e-04 . . . . 5838 2 . . DBJ BAC29170 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 268 100.00 100.00 4.66e-05 . . . . 5838 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID peptide common 5838 2 'NDR peptide' abbreviation 5838 2 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 62 LYS . 5838 2 2 63 ARG . 5838 2 3 64 LEU . 5838 2 4 65 ARG . 5838 2 5 66 ARG . 5838 2 6 67 SER . 5838 2 7 68 ALA . 5838 2 8 69 HIS . 5838 2 9 70 ALA . 5838 2 10 71 ARG . 5838 2 11 72 LYS . 5838 2 12 73 GLU . 5838 2 13 74 THR . 5838 2 14 75 GLU . 5838 2 15 76 PHE . 5838 2 16 77 LEU . 5838 2 17 78 ARG . 5838 2 18 79 LEU . 5838 2 19 80 LYS . 5838 2 20 81 ARG . 5838 2 21 82 THR . 5838 2 22 83 ARG . 5838 2 23 84 LEU . 5838 2 24 85 GLY . 5838 2 25 86 LEU . 5838 2 26 87 GLU . 5838 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 5838 2 . ARG 2 2 5838 2 . LEU 3 3 5838 2 . ARG 4 4 5838 2 . ARG 5 5 5838 2 . SER 6 6 5838 2 . ALA 7 7 5838 2 . HIS 8 8 5838 2 . ALA 9 9 5838 2 . ARG 10 10 5838 2 . LYS 11 11 5838 2 . GLU 12 12 5838 2 . THR 13 13 5838 2 . GLU 14 14 5838 2 . PHE 15 15 5838 2 . LEU 16 16 5838 2 . ARG 17 17 5838 2 . LEU 18 18 5838 2 . LYS 19 19 5838 2 . ARG 20 20 5838 2 . THR 21 21 5838 2 . ARG 22 22 5838 2 . LEU 23 23 5838 2 . GLY 24 24 5838 2 . LEU 25 25 5838 2 . GLU 26 26 5838 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5838 _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 $S100B . 9913 . . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 5838 1 2 2 $NDR_peptide . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5838 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 5838 _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 $S100B . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Codon Plus (DE3) RIL' . . . . . . . . . . . . . . . 'pH6 TEV' . . . . . . 5838 1 2 2 $NDR_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5838 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'subunit of homodimer' '[U-15N; U-13C]' . . 1 $S100B . . 1 . . mM . . . . 5838 1 2 peptide . . . 2 $NDR_peptide . . 1 . . mM . . . . 5838 1 3 tris-d11 . . . . . . . 20 . . mM . . . . 5838 1 4 'Potassium Chloride' . . . . . . . 30 . . mM . . . . 5838 1 5 d10-DTT . . . . . . . 10 . . mM . . . . 5838 1 6 'Calcium Chloride' . . . . . . . 5 . . mM . . . . 5838 1 7 H2O . . . . . . . 90 . . % . . . . 5838 1 8 D2O . . . . . . . 10 . . % . . . . 5838 1 stop_ save_ ####################### # Sample conditions # ####################### save_Set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Set_1 _Sample_condition_list.Entry_ID 5838 _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 7.5 0.2 n/a 5838 1 temperature 310 1 K 5838 1 'ionic strength' 0.045 . M 5838 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5838 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 5838 1 Data-Analysis 5838 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5838 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5838 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5838 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5838 1 2 NMR_spectrometer Bruker Avance . 800 . . . 5838 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 5838 _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 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 6 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 7 '2D 15N/13C F1/F2-Filtered COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 8 '2D 15N/13C F1/F2-Filtered TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 9 '2D 15N/13C F1/F2-Filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5838 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 15N/13C F1/F2-Filtered COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 15N/13C F1/F2-Filtered TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5838 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 15N/13C F1/F2-Filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5838 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5838 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . . . . . . . . . 5838 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . . . . . . . . . 5838 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5838 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5838 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 SER N N 15 121.30 0.03 . 1 . . . . . . . . 5838 1 2 . 1 1 1 1 SER CA C 13 57.09 0.50 . 1 . . . . . . . . 5838 1 3 . 1 1 1 1 SER CB C 13 64.69 0.50 . 1 . . . . . . . . 5838 1 4 . 1 1 1 1 SER HA H 1 4.70 0.05 . 1 . . . . . . . . 5838 1 5 . 1 1 1 1 SER H H 1 9.35 0.02 . 1 . . . . . . . . 5838 1 6 . 1 1 1 1 SER HB3 H 1 4.21 0.05 . 1 . . . . . . . . 5838 1 7 . 1 1 1 1 SER HB2 H 1 4.94 0.05 . 1 . . . . . . . . 5838 1 8 . 1 1 2 2 GLU C C 13 179.26 0.50 . 1 . . . . . . . . 5838 1 9 . 1 1 2 2 GLU N N 15 120.37 0.03 . 1 . . . . . . . . 5838 1 10 . 1 1 2 2 GLU CA C 13 59.62 0.50 . 1 . . . . . . . . 5838 1 11 . 1 1 2 2 GLU CB C 13 28.65 0.50 . 1 . . . . . . . . 5838 1 12 . 1 1 2 2 GLU CG C 13 36.23 0.50 . 1 . . . . . . . . 5838 1 13 . 1 1 2 2 GLU HA H 1 4.14 0.05 . 1 . . . . . . . . 5838 1 14 . 1 1 2 2 GLU H H 1 9.21 0.02 . 1 . . . . . . . . 5838 1 15 . 1 1 2 2 GLU HB3 H 1 1.99 0.05 . 1 . . . . . . . . 5838 1 16 . 1 1 2 2 GLU HB2 H 1 2.09 0.05 . 1 . . . . . . . . 5838 1 17 . 1 1 2 2 GLU HG2 H 1 2.34 0.05 . 9 . . . . . . . . 5838 1 18 . 1 1 2 2 GLU HG3 H 1 2.34 0.05 . 9 . . . . . . . . 5838 1 19 . 1 1 3 3 LEU C C 13 177.82 0.50 . 1 . . . . . . . . 5838 1 20 . 1 1 3 3 LEU N N 15 120.46 0.03 . 1 . . . . . . . . 5838 1 21 . 1 1 3 3 LEU CA C 13 57.60 0.50 . 1 . . . . . . . . 5838 1 22 . 1 1 3 3 LEU CB C 13 42.04 0.50 . 1 . . . . . . . . 5838 1 23 . 1 1 3 3 LEU CG C 13 27.21 0.50 . 1 . . . . . . . . 5838 1 24 . 1 1 3 3 LEU HA H 1 4.24 0.05 . 1 . . . . . . . . 5838 1 25 . 1 1 3 3 LEU HG H 1 1.67 0.05 . 1 . . . . . . . . 5838 1 26 . 1 1 3 3 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 5838 1 27 . 1 1 3 3 LEU HB3 H 1 1.75 0.05 . 1 . . . . . . . . 5838 1 28 . 1 1 3 3 LEU HB2 H 1 2.01 0.05 . 1 . . . . . . . . 5838 1 29 . 1 1 3 3 LEU HD11 H 1 0.98 0.05 . 1 . . . . . . . . 5838 1 30 . 1 1 3 3 LEU HD12 H 1 0.98 0.05 . 1 . . . . . . . . 5838 1 31 . 1 1 3 3 LEU HD13 H 1 0.98 0.05 . 1 . . . . . . . . 5838 1 32 . 1 1 3 3 LEU HD21 H 1 1.09 0.05 . 1 . . . . . . . . 5838 1 33 . 1 1 3 3 LEU HD22 H 1 1.09 0.05 . 1 . . . . . . . . 5838 1 34 . 1 1 3 3 LEU HD23 H 1 1.09 0.05 . 1 . . . . . . . . 5838 1 35 . 1 1 3 3 LEU CD1 C 13 23.59 0.50 . 1 . . . . . . . . 5838 1 36 . 1 1 3 3 LEU CD2 C 13 25.93 0.50 . 1 . . . . . . . . 5838 1 37 . 1 1 4 4 GLU C C 13 178.94 0.50 . 1 . . . . . . . . 5838 1 38 . 1 1 4 4 GLU N N 15 120.20 0.03 . 1 . . . . . . . . 5838 1 39 . 1 1 4 4 GLU CA C 13 59.92 0.50 . 1 . . . . . . . . 5838 1 40 . 1 1 4 4 GLU CB C 13 29.05 0.50 . 1 . . . . . . . . 5838 1 41 . 1 1 4 4 GLU HA H 1 4.12 0.05 . 1 . . . . . . . . 5838 1 42 . 1 1 4 4 GLU HB2 H 1 2.31 0.05 . 9 . . . . . . . . 5838 1 43 . 1 1 4 4 GLU HB3 H 1 2.31 0.05 . 9 . . . . . . . . 5838 1 44 . 1 1 4 4 GLU HG2 H 1 2.79 0.05 . 9 . . . . . . . . 5838 1 45 . 1 1 4 4 GLU HG3 H 1 2.79 0.05 . 9 . . . . . . . . 5838 1 46 . 1 1 4 4 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 5838 1 47 . 1 1 5 5 LYS C C 13 178.63 0.50 . 1 . . . . . . . . 5838 1 48 . 1 1 5 5 LYS N N 15 117.49 0.03 . 1 . . . . . . . . 5838 1 49 . 1 1 5 5 LYS CA C 13 60.02 0.50 . 1 . . . . . . . . 5838 1 50 . 1 1 5 5 LYS CB C 13 32.22 0.50 . 1 . . . . . . . . 5838 1 51 . 1 1 5 5 LYS CD C 13 29.28 0.50 . 1 . . . . . . . . 5838 1 52 . 1 1 5 5 LYS CE C 13 41.71 0.50 . 1 . . . . . . . . 5838 1 53 . 1 1 5 5 LYS HA H 1 3.79 0.05 . 1 . . . . . . . . 5838 1 54 . 1 1 5 5 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 5838 1 55 . 1 1 5 5 LYS HB2 H 1 1.82 0.05 . 9 . . . . . . . . 5838 1 56 . 1 1 5 5 LYS HB3 H 1 1.82 0.05 . 9 . . . . . . . . 5838 1 57 . 1 1 5 5 LYS HD2 H 1 1.53 0.05 . 9 . . . . . . . . 5838 1 58 . 1 1 5 5 LYS HD3 H 1 1.53 0.05 . 9 . . . . . . . . 5838 1 59 . 1 1 5 5 LYS HE2 H 1 2.79 0.05 . 9 . . . . . . . . 5838 1 60 . 1 1 5 5 LYS HE3 H 1 2.79 0.05 . 9 . . . . . . . . 5838 1 61 . 1 1 6 6 ALA C C 13 178.42 0.50 . 1 . . . . . . . . 5838 1 62 . 1 1 6 6 ALA N N 15 123.24 0.03 . 1 . . . . . . . . 5838 1 63 . 1 1 6 6 ALA CA C 13 55.22 0.50 . 1 . . . . . . . . 5838 1 64 . 1 1 6 6 ALA CB C 13 17.35 0.50 . 1 . . . . . . . . 5838 1 65 . 1 1 6 6 ALA HA H 1 4.19 0.05 . 1 . . . . . . . . 5838 1 66 . 1 1 6 6 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 5838 1 67 . 1 1 6 6 ALA HB1 H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 68 . 1 1 6 6 ALA HB2 H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 69 . 1 1 6 6 ALA HB3 H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 70 . 1 1 7 7 VAL C C 13 177.54 0.50 . 1 . . . . . . . . 5838 1 71 . 1 1 7 7 VAL N N 15 117.81 0.03 . 1 . . . . . . . . 5838 1 72 . 1 1 7 7 VAL CA C 13 67.02 0.50 . 1 . . . . . . . . 5838 1 73 . 1 1 7 7 VAL CB C 13 31.56 0.50 . 1 . . . . . . . . 5838 1 74 . 1 1 7 7 VAL HA H 1 3.62 0.05 . 1 . . . . . . . . 5838 1 75 . 1 1 7 7 VAL HB H 1 2.58 0.05 . 1 . . . . . . . . 5838 1 76 . 1 1 7 7 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 5838 1 77 . 1 1 7 7 VAL HG21 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 78 . 1 1 7 7 VAL HG22 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 79 . 1 1 7 7 VAL HG23 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 80 . 1 1 7 7 VAL HG11 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 81 . 1 1 7 7 VAL HG12 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 82 . 1 1 7 7 VAL HG13 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 83 . 1 1 7 7 VAL CG2 C 13 20.65 0.50 . 9 . . . . . . . . 5838 1 84 . 1 1 7 7 VAL CG1 C 13 20.65 0.50 . 9 . . . . . . . . 5838 1 85 . 1 1 8 8 VAL C C 13 177.75 0.50 . 1 . . . . . . . . 5838 1 86 . 1 1 8 8 VAL N N 15 116.67 0.03 . 1 . . . . . . . . 5838 1 87 . 1 1 8 8 VAL CA C 13 66.87 0.50 . 1 . . . . . . . . 5838 1 88 . 1 1 8 8 VAL CB C 13 31.14 0.50 . 1 . . . . . . . . 5838 1 89 . 1 1 8 8 VAL HA H 1 3.60 0.05 . 1 . . . . . . . . 5838 1 90 . 1 1 8 8 VAL HB H 1 2.15 0.05 . 1 . . . . . . . . 5838 1 91 . 1 1 8 8 VAL H H 1 7.79 0.02 . 1 . . . . . . . . 5838 1 92 . 1 1 8 8 VAL HG21 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 93 . 1 1 8 8 VAL HG22 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 94 . 1 1 8 8 VAL HG23 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 95 . 1 1 8 8 VAL HG11 H 1 1.22 0.05 . 1 . . . . . . . . 5838 1 96 . 1 1 8 8 VAL HG12 H 1 1.22 0.05 . 1 . . . . . . . . 5838 1 97 . 1 1 8 8 VAL HG13 H 1 1.22 0.05 . 1 . . . . . . . . 5838 1 98 . 1 1 8 8 VAL CG2 C 13 21.22 0.50 . 1 . . . . . . . . 5838 1 99 . 1 1 8 8 VAL CG1 C 13 23.02 0.50 . 1 . . . . . . . . 5838 1 100 . 1 1 9 9 ALA N N 15 123.23 0.03 . 1 . . . . . . . . 5838 1 101 . 1 1 9 9 ALA CA C 13 55.40 0.50 . 1 . . . . . . . . 5838 1 102 . 1 1 9 9 ALA CB C 13 18.38 0.50 . 1 . . . . . . . . 5838 1 103 . 1 1 9 9 ALA HA H 1 4.32 0.05 . 1 . . . . . . . . 5838 1 104 . 1 1 9 9 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 5838 1 105 . 1 1 9 9 ALA HB1 H 1 1.62 0.05 . 1 . . . . . . . . 5838 1 106 . 1 1 9 9 ALA HB2 H 1 1.62 0.05 . 1 . . . . . . . . 5838 1 107 . 1 1 9 9 ALA HB3 H 1 1.62 0.05 . 1 . . . . . . . . 5838 1 108 . 1 1 10 10 LEU C C 13 178.54 0.50 . 1 . . . . . . . . 5838 1 109 . 1 1 10 10 LEU N N 15 117.95 0.03 . 1 . . . . . . . . 5838 1 110 . 1 1 10 10 LEU CA C 13 58.71 0.50 . 1 . . . . . . . . 5838 1 111 . 1 1 10 10 LEU CB C 13 41.95 0.50 . 1 . . . . . . . . 5838 1 112 . 1 1 10 10 LEU CG C 13 26.01 0.50 . 1 . . . . . . . . 5838 1 113 . 1 1 10 10 LEU HA H 1 4.11 0.05 . 1 . . . . . . . . 5838 1 114 . 1 1 10 10 LEU HG H 1 2.32 0.05 . 1 . . . . . . . . 5838 1 115 . 1 1 10 10 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 5838 1 116 . 1 1 10 10 LEU HB2 H 1 2.48 0.05 . 9 . . . . . . . . 5838 1 117 . 1 1 10 10 LEU HB3 H 1 2.48 0.05 . 9 . . . . . . . . 5838 1 118 . 1 1 10 10 LEU HD11 H 1 0.86 0.05 . 1 . . . . . . . . 5838 1 119 . 1 1 10 10 LEU HD12 H 1 0.86 0.05 . 1 . . . . . . . . 5838 1 120 . 1 1 10 10 LEU HD13 H 1 0.86 0.05 . 1 . . . . . . . . 5838 1 121 . 1 1 10 10 LEU HD21 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 122 . 1 1 10 10 LEU HD22 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 123 . 1 1 10 10 LEU HD23 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 124 . 1 1 10 10 LEU CD1 C 13 24.24 0.50 . 1 . . . . . . . . 5838 1 125 . 1 1 10 10 LEU CD2 C 13 25.17 0.50 . 1 . . . . . . . . 5838 1 126 . 1 1 11 11 ILE C C 13 178.11 0.50 . 1 . . . . . . . . 5838 1 127 . 1 1 11 11 ILE N N 15 117.93 0.03 . 1 . . . . . . . . 5838 1 128 . 1 1 11 11 ILE CA C 13 65.66 0.50 . 1 . . . . . . . . 5838 1 129 . 1 1 11 11 ILE CB C 13 38.70 0.50 . 1 . . . . . . . . 5838 1 130 . 1 1 11 11 ILE HA H 1 3.67 0.05 . 1 . . . . . . . . 5838 1 131 . 1 1 11 11 ILE HB H 1 2.02 0.05 . 1 . . . . . . . . 5838 1 132 . 1 1 11 11 ILE H H 1 7.37 0.02 . 1 . . . . . . . . 5838 1 133 . 1 1 11 11 ILE CD1 C 13 13.53 0.50 . 1 . . . . . . . . 5838 1 134 . 1 1 11 11 ILE CG2 C 13 17.61 0.50 . 1 . . . . . . . . 5838 1 135 . 1 1 11 11 ILE HD11 H 1 0.79 0.05 . 1 . . . . . . . . 5838 1 136 . 1 1 11 11 ILE HD12 H 1 0.79 0.05 . 1 . . . . . . . . 5838 1 137 . 1 1 11 11 ILE HD13 H 1 0.79 0.05 . 1 . . . . . . . . 5838 1 138 . 1 1 11 11 ILE HG12 H 1 0.91 0.05 . 2 . . . . . . . . 5838 1 139 . 1 1 11 11 ILE HG21 H 1 0.73 0.05 . 1 . . . . . . . . 5838 1 140 . 1 1 11 11 ILE HG22 H 1 0.73 0.05 . 1 . . . . . . . . 5838 1 141 . 1 1 11 11 ILE HG23 H 1 0.73 0.05 . 1 . . . . . . . . 5838 1 142 . 1 1 12 12 ASP C C 13 179.57 0.50 . 1 . . . . . . . . 5838 1 143 . 1 1 12 12 ASP N N 15 120.92 0.03 . 1 . . . . . . . . 5838 1 144 . 1 1 12 12 ASP CA C 13 57.83 0.50 . 1 . . . . . . . . 5838 1 145 . 1 1 12 12 ASP CB C 13 41.36 0.50 . 1 . . . . . . . . 5838 1 146 . 1 1 12 12 ASP HA H 1 4.51 0.05 . 1 . . . . . . . . 5838 1 147 . 1 1 12 12 ASP H H 1 8.97 0.02 . 1 . . . . . . . . 5838 1 148 . 1 1 12 12 ASP HB2 H 1 2.80 0.05 . 9 . . . . . . . . 5838 1 149 . 1 1 12 12 ASP HB3 H 1 2.80 0.05 . 9 . . . . . . . . 5838 1 150 . 1 1 13 13 VAL C C 13 177.28 0.50 . 1 . . . . . . . . 5838 1 151 . 1 1 13 13 VAL N N 15 120.41 0.03 . 1 . . . . . . . . 5838 1 152 . 1 1 13 13 VAL CA C 13 66.16 0.50 . 1 . . . . . . . . 5838 1 153 . 1 1 13 13 VAL CB C 13 31.10 0.50 . 1 . . . . . . . . 5838 1 154 . 1 1 13 13 VAL HA H 1 3.97 0.05 . 1 . . . . . . . . 5838 1 155 . 1 1 13 13 VAL HB H 1 2.38 0.05 . 1 . . . . . . . . 5838 1 156 . 1 1 13 13 VAL H H 1 9.15 0.02 . 1 . . . . . . . . 5838 1 157 . 1 1 13 13 VAL HG11 H 1 1.28 0.05 . 1 . . . . . . . . 5838 1 158 . 1 1 13 13 VAL HG12 H 1 1.28 0.05 . 1 . . . . . . . . 5838 1 159 . 1 1 13 13 VAL HG13 H 1 1.28 0.05 . 1 . . . . . . . . 5838 1 160 . 1 1 13 13 VAL HG21 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 161 . 1 1 13 13 VAL HG22 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 162 . 1 1 13 13 VAL HG23 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 163 . 1 1 13 13 VAL CG1 C 13 21.53 0.50 . 1 . . . . . . . . 5838 1 164 . 1 1 13 13 VAL CG2 C 13 22.90 0.50 . 1 . . . . . . . . 5838 1 165 . 1 1 14 14 PHE C C 13 177.64 0.50 . 1 . . . . . . . . 5838 1 166 . 1 1 14 14 PHE N N 15 119.91 0.03 . 1 . . . . . . . . 5838 1 167 . 1 1 14 14 PHE CA C 13 66.17 0.50 . 1 . . . . . . . . 5838 1 168 . 1 1 14 14 PHE CB C 13 40.36 0.50 . 1 . . . . . . . . 5838 1 169 . 1 1 14 14 PHE CZ C 13 132.22 0.50 . 1 . . . . . . . . 5838 1 170 . 1 1 14 14 PHE HA H 1 3.43 0.05 . 1 . . . . . . . . 5838 1 171 . 1 1 14 14 PHE H H 1 7.24 0.02 . 1 . . . . . . . . 5838 1 172 . 1 1 14 14 PHE HB3 H 1 2.78 0.05 . 1 . . . . . . . . 5838 1 173 . 1 1 14 14 PHE HB2 H 1 3.08 0.05 . 1 . . . . . . . . 5838 1 174 . 1 1 14 14 PHE HD1 H 1 6.04 0.05 . 1 . . . . . . . . 5838 1 175 . 1 1 14 14 PHE HD2 H 1 6.04 0.05 . 1 . . . . . . . . 5838 1 176 . 1 1 14 14 PHE HE1 H 1 6.87 0.05 . 1 . . . . . . . . 5838 1 177 . 1 1 14 14 PHE HE2 H 1 6.87 0.05 . 1 . . . . . . . . 5838 1 178 . 1 1 14 14 PHE HZ H 1 7.30 0.05 . 1 . . . . . . . . 5838 1 179 . 1 1 15 15 HIS C C 13 175.17 0.50 . 1 . . . . . . . . 5838 1 180 . 1 1 15 15 HIS N N 15 116.69 0.03 . 1 . . . . . . . . 5838 1 181 . 1 1 15 15 HIS CA C 13 58.64 0.50 . 1 . . . . . . . . 5838 1 182 . 1 1 15 15 HIS CB C 13 28.36 0.50 . 1 . . . . . . . . 5838 1 183 . 1 1 15 15 HIS HA H 1 4.68 0.05 . 1 . . . . . . . . 5838 1 184 . 1 1 15 15 HIS H H 1 7.92 0.02 . 1 . . . . . . . . 5838 1 185 . 1 1 15 15 HIS HB2 H 1 3.07 0.05 . 9 . . . . . . . . 5838 1 186 . 1 1 15 15 HIS HB3 H 1 3.07 0.05 . 9 . . . . . . . . 5838 1 187 . 1 1 16 16 GLN C C 13 177.64 0.50 . 1 . . . . . . . . 5838 1 188 . 1 1 16 16 GLN N N 15 122.20 0.03 . 1 . . . . . . . . 5838 1 189 . 1 1 16 16 GLN CA C 13 58.47 0.50 . 1 . . . . . . . . 5838 1 190 . 1 1 16 16 GLN CB C 13 27.90 0.50 . 1 . . . . . . . . 5838 1 191 . 1 1 16 16 GLN CG C 13 33.20 0.50 . 1 . . . . . . . . 5838 1 192 . 1 1 16 16 GLN CD C 13 179.53 0.50 . 1 . . . . . . . . 5838 1 193 . 1 1 16 16 GLN HA H 1 3.89 0.05 . 1 . . . . . . . . 5838 1 194 . 1 1 16 16 GLN H H 1 8.40 0.02 . 1 . . . . . . . . 5838 1 195 . 1 1 16 16 GLN NE2 N 15 110.99 0.03 . 1 . . . . . . . . 5838 1 196 . 1 1 16 16 GLN HB2 H 1 2.05 0.05 . 2 . . . . . . . . 5838 1 197 . 1 1 16 16 GLN HB3 H 1 2.23 0.05 . 2 . . . . . . . . 5838 1 198 . 1 1 16 16 GLN HE21 H 1 6.74 0.05 . 2 . . . . . . . . 5838 1 199 . 1 1 16 16 GLN HE22 H 1 7.16 0.05 . 2 . . . . . . . . 5838 1 200 . 1 1 16 16 GLN HG2 H 1 2.05 0.05 . 2 . . . . . . . . 5838 1 201 . 1 1 16 16 GLN HG3 H 1 2.28 0.05 . 2 . . . . . . . . 5838 1 202 . 1 1 17 17 TYR C C 13 176.34 0.50 . 1 . . . . . . . . 5838 1 203 . 1 1 17 17 TYR N N 15 115.74 0.03 . 1 . . . . . . . . 5838 1 204 . 1 1 17 17 TYR CA C 13 60.82 0.50 . 1 . . . . . . . . 5838 1 205 . 1 1 17 17 TYR CB C 13 39.88 0.50 . 1 . . . . . . . . 5838 1 206 . 1 1 17 17 TYR CD1 C 13 132.22 0.50 . 1 . . . . . . . . 5838 1 207 . 1 1 17 17 TYR CD2 C 13 132.22 0.50 . 1 . . . . . . . . 5838 1 208 . 1 1 17 17 TYR CE1 C 13 117.22 0.50 . 1 . . . . . . . . 5838 1 209 . 1 1 17 17 TYR CE2 C 13 117.22 0.50 . 1 . . . . . . . . 5838 1 210 . 1 1 17 17 TYR HA H 1 4.05 0.05 . 1 . . . . . . . . 5838 1 211 . 1 1 17 17 TYR H H 1 7.18 0.02 . 1 . . . . . . . . 5838 1 212 . 1 1 17 17 TYR HB2 H 1 2.47 0.05 . 1 . . . . . . . . 5838 1 213 . 1 1 17 17 TYR HB3 H 1 2.68 0.05 . 1 . . . . . . . . 5838 1 214 . 1 1 17 17 TYR HE1 H 1 6.62 0.05 . 1 . . . . . . . . 5838 1 215 . 1 1 17 17 TYR HE2 H 1 6.62 0.05 . 1 . . . . . . . . 5838 1 216 . 1 1 17 17 TYR HD1 H 1 7.29 0.05 . 1 . . . . . . . . 5838 1 217 . 1 1 17 17 TYR HD2 H 1 7.29 0.05 . 1 . . . . . . . . 5838 1 218 . 1 1 18 18 SER C C 13 177.63 0.50 . 1 . . . . . . . . 5838 1 219 . 1 1 18 18 SER N N 15 115.75 0.03 . 1 . . . . . . . . 5838 1 220 . 1 1 18 18 SER CA C 13 61.73 0.50 . 1 . . . . . . . . 5838 1 221 . 1 1 18 18 SER HA H 1 3.50 0.05 . 1 . . . . . . . . 5838 1 222 . 1 1 18 18 SER H H 1 8.93 0.02 . 1 . . . . . . . . 5838 1 223 . 1 1 19 19 GLY C C 13 180.81 0.50 . 1 . . . . . . . . 5838 1 224 . 1 1 19 19 GLY N N 15 110.55 0.03 . 1 . . . . . . . . 5838 1 225 . 1 1 19 19 GLY CA C 13 45.38 0.50 . 1 . . . . . . . . 5838 1 226 . 1 1 19 19 GLY H H 1 7.57 0.02 . 1 . . . . . . . . 5838 1 227 . 1 1 19 19 GLY HA2 H 1 3.79 0.05 . 1 . . . . . . . . 5838 1 228 . 1 1 19 19 GLY HA3 H 1 3.93 0.05 . 1 . . . . . . . . 5838 1 229 . 1 1 20 20 ARG C C 13 177.32 0.50 . 1 . . . . . . . . 5838 1 230 . 1 1 20 20 ARG N N 15 121.69 0.03 . 1 . . . . . . . . 5838 1 231 . 1 1 20 20 ARG CA C 13 59.65 0.50 . 1 . . . . . . . . 5838 1 232 . 1 1 20 20 ARG CB C 13 30.34 0.50 . 1 . . . . . . . . 5838 1 233 . 1 1 20 20 ARG CD C 13 43.46 0.50 . 1 . . . . . . . . 5838 1 234 . 1 1 20 20 ARG CG C 13 27.90 0.50 . 1 . . . . . . . . 5838 1 235 . 1 1 20 20 ARG HA H 1 3.94 0.05 . 1 . . . . . . . . 5838 1 236 . 1 1 20 20 ARG H H 1 7.10 0.02 . 1 . . . . . . . . 5838 1 237 . 1 1 20 20 ARG HB2 H 1 1.98 0.05 . 2 . . . . . . . . 5838 1 238 . 1 1 20 20 ARG HB3 H 1 2.14 0.05 . 2 . . . . . . . . 5838 1 239 . 1 1 20 20 ARG HD2 H 1 3.26 0.05 . 9 . . . . . . . . 5838 1 240 . 1 1 20 20 ARG HD3 H 1 3.26 0.05 . 9 . . . . . . . . 5838 1 241 . 1 1 20 20 ARG HG2 H 1 1.63 0.05 . 1 . . . . . . . . 5838 1 242 . 1 1 20 20 ARG HG3 H 1 1.98 0.05 . 1 . . . . . . . . 5838 1 243 . 1 1 21 21 GLU N N 15 116.65 0.03 . 1 . . . . . . . . 5838 1 244 . 1 1 21 21 GLU CA C 13 54.53 0.50 . 1 . . . . . . . . 5838 1 245 . 1 1 21 21 GLU CB C 13 35.70 0.50 . 1 . . . . . . . . 5838 1 246 . 1 1 21 21 GLU CG C 13 34.77 0.50 . 1 . . . . . . . . 5838 1 247 . 1 1 21 21 GLU HA H 1 4.58 0.05 . 1 . . . . . . . . 5838 1 248 . 1 1 21 21 GLU H H 1 9.41 0.02 . 1 . . . . . . . . 5838 1 249 . 1 1 21 21 GLU HB2 H 1 2.01 0.05 . 1 . . . . . . . . 5838 1 250 . 1 1 21 21 GLU HB3 H 1 2.04 0.05 . 1 . . . . . . . . 5838 1 251 . 1 1 21 21 GLU HG3 H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 252 . 1 1 21 21 GLU HG2 H 1 1.97 0.05 . 1 . . . . . . . . 5838 1 253 . 1 1 23 23 ASP CA C 13 54.01 0.50 . 1 . . . . . . . . 5838 1 254 . 1 1 23 23 ASP HA H 1 4.79 0.05 . 1 . . . . . . . . 5838 1 255 . 1 1 23 23 ASP HB2 H 1 1.92 0.05 . 9 . . . . . . . . 5838 1 256 . 1 1 23 23 ASP HB3 H 1 1.92 0.05 . 9 . . . . . . . . 5838 1 257 . 1 1 24 24 LYS CA C 13 57.44 0.50 . 1 . . . . . . . . 5838 1 258 . 1 1 24 24 LYS HA H 1 4.43 0.05 . 1 . . . . . . . . 5838 1 259 . 1 1 25 25 HIS C C 13 173.38 0.50 . 1 . . . . . . . . 5838 1 260 . 1 1 25 25 HIS N N 15 119.25 0.03 . 1 . . . . . . . . 5838 1 261 . 1 1 25 25 HIS CA C 13 55.21 0.50 . 1 . . . . . . . . 5838 1 262 . 1 1 25 25 HIS CB C 13 30.49 0.50 . 1 . . . . . . . . 5838 1 263 . 1 1 25 25 HIS HA H 1 5.04 0.05 . 1 . . . . . . . . 5838 1 264 . 1 1 25 25 HIS H H 1 9.45 0.02 . 1 . . . . . . . . 5838 1 265 . 1 1 25 25 HIS HB3 H 1 2.93 0.05 . 1 . . . . . . . . 5838 1 266 . 1 1 25 25 HIS HB2 H 1 3.25 0.05 . 1 . . . . . . . . 5838 1 267 . 1 1 26 26 LYS C C 13 174.87 0.50 . 1 . . . . . . . . 5838 1 268 . 1 1 26 26 LYS N N 15 115.23 0.03 . 1 . . . . . . . . 5838 1 269 . 1 1 26 26 LYS CA C 13 55.14 0.50 . 1 . . . . . . . . 5838 1 270 . 1 1 26 26 LYS CB C 13 38.74 0.50 . 1 . . . . . . . . 5838 1 271 . 1 1 26 26 LYS CE C 13 41.64 0.50 . 1 . . . . . . . . 5838 1 272 . 1 1 26 26 LYS CG C 13 25.46 0.50 . 1 . . . . . . . . 5838 1 273 . 1 1 26 26 LYS HA H 1 5.10 0.05 . 1 . . . . . . . . 5838 1 274 . 1 1 26 26 LYS H H 1 7.06 0.02 . 1 . . . . . . . . 5838 1 275 . 1 1 26 26 LYS HB2 H 1 1.65 0.05 . 9 . . . . . . . . 5838 1 276 . 1 1 26 26 LYS HB3 H 1 1.65 0.05 . 9 . . . . . . . . 5838 1 277 . 1 1 26 26 LYS HE2 H 1 3.00 0.05 . 9 . . . . . . . . 5838 1 278 . 1 1 26 26 LYS HE3 H 1 3.00 0.05 . 9 . . . . . . . . 5838 1 279 . 1 1 26 26 LYS HG2 H 1 1.23 0.05 . 9 . . . . . . . . 5838 1 280 . 1 1 26 26 LYS HG3 H 1 1.23 0.05 . 9 . . . . . . . . 5838 1 281 . 1 1 27 27 LEU C C 13 175.88 0.50 . 1 . . . . . . . . 5838 1 282 . 1 1 27 27 LEU N N 15 126.14 0.03 . 1 . . . . . . . . 5838 1 283 . 1 1 27 27 LEU CA C 13 52.51 0.50 . 1 . . . . . . . . 5838 1 284 . 1 1 27 27 LEU CB C 13 43.05 0.50 . 1 . . . . . . . . 5838 1 285 . 1 1 27 27 LEU CG C 13 24.71 0.50 . 1 . . . . . . . . 5838 1 286 . 1 1 27 27 LEU HA H 1 5.09 0.05 . 1 . . . . . . . . 5838 1 287 . 1 1 27 27 LEU HG H 1 1.21 0.05 . 1 . . . . . . . . 5838 1 288 . 1 1 27 27 LEU H H 1 9.48 0.02 . 1 . . . . . . . . 5838 1 289 . 1 1 27 27 LEU HB3 H 1 1.13 0.05 . 1 . . . . . . . . 5838 1 290 . 1 1 27 27 LEU HB2 H 1 1.96 0.05 . 1 . . . . . . . . 5838 1 291 . 1 1 27 27 LEU HD21 H 1 0.25 0.05 . 1 . . . . . . . . 5838 1 292 . 1 1 27 27 LEU HD22 H 1 0.25 0.05 . 1 . . . . . . . . 5838 1 293 . 1 1 27 27 LEU HD23 H 1 0.25 0.05 . 1 . . . . . . . . 5838 1 294 . 1 1 27 27 LEU HD11 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 295 . 1 1 27 27 LEU HD12 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 296 . 1 1 27 27 LEU HD13 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 297 . 1 1 27 27 LEU CD2 C 13 27.52 0.50 . 1 . . . . . . . . 5838 1 298 . 1 1 27 27 LEU CD1 C 13 24.23 0.50 . 1 . . . . . . . . 5838 1 299 . 1 1 28 28 LYS C C 13 177.70 0.50 . 1 . . . . . . . . 5838 1 300 . 1 1 28 28 LYS N N 15 124.62 0.03 . 1 . . . . . . . . 5838 1 301 . 1 1 28 28 LYS CA C 13 54.79 0.50 . 1 . . . . . . . . 5838 1 302 . 1 1 28 28 LYS CB C 13 32.35 0.50 . 1 . . . . . . . . 5838 1 303 . 1 1 28 28 LYS CD C 13 29.12 0.50 . 1 . . . . . . . . 5838 1 304 . 1 1 28 28 LYS CE C 13 40.74 0.50 . 1 . . . . . . . . 5838 1 305 . 1 1 28 28 LYS CG C 13 23.32 0.50 . 1 . . . . . . . . 5838 1 306 . 1 1 28 28 LYS HA H 1 4.65 0.05 . 1 . . . . . . . . 5838 1 307 . 1 1 28 28 LYS H H 1 9.66 0.02 . 1 . . . . . . . . 5838 1 308 . 1 1 28 28 LYS HB2 H 1 1.92 0.05 . 9 . . . . . . . . 5838 1 309 . 1 1 28 28 LYS HB3 H 1 1.92 0.05 . 9 . . . . . . . . 5838 1 310 . 1 1 28 28 LYS HD2 H 1 1.62 0.05 . 9 . . . . . . . . 5838 1 311 . 1 1 28 28 LYS HD3 H 1 1.62 0.05 . 9 . . . . . . . . 5838 1 312 . 1 1 28 28 LYS HE2 H 1 2.92 0.05 . 9 . . . . . . . . 5838 1 313 . 1 1 28 28 LYS HE3 H 1 2.92 0.05 . 9 . . . . . . . . 5838 1 314 . 1 1 28 28 LYS HG2 H 1 1.52 0.05 . 9 . . . . . . . . 5838 1 315 . 1 1 28 28 LYS HG3 H 1 1.52 0.05 . 9 . . . . . . . . 5838 1 316 . 1 1 29 29 LYS C C 13 177.63 0.50 . 1 . . . . . . . . 5838 1 317 . 1 1 29 29 LYS N N 15 122.07 0.03 . 1 . . . . . . . . 5838 1 318 . 1 1 29 29 LYS CA C 13 62.32 0.50 . 1 . . . . . . . . 5838 1 319 . 1 1 29 29 LYS CB C 13 31.73 0.50 . 1 . . . . . . . . 5838 1 320 . 1 1 29 29 LYS HA H 1 3.58 0.05 . 1 . . . . . . . . 5838 1 321 . 1 1 29 29 LYS H H 1 8.98 0.02 . 1 . . . . . . . . 5838 1 322 . 1 1 29 29 LYS HB3 H 1 1.77 0.05 . 1 . . . . . . . . 5838 1 323 . 1 1 29 29 LYS HB2 H 1 1.99 0.05 . 1 . . . . . . . . 5838 1 324 . 1 1 30 30 SER C C 13 177.14 0.50 . 1 . . . . . . . . 5838 1 325 . 1 1 30 30 SER N N 15 111.46 0.03 . 1 . . . . . . . . 5838 1 326 . 1 1 30 30 SER CA C 13 60.84 0.50 . 9 . . . . . . . . 5838 1 327 . 1 1 30 30 SER CB C 13 60.84 0.50 . 9 . . . . . . . . 5838 1 328 . 1 1 30 30 SER HA H 1 4.05 0.05 . 1 . . . . . . . . 5838 1 329 . 1 1 30 30 SER H H 1 8.08 0.02 . 1 . . . . . . . . 5838 1 330 . 1 1 30 30 SER HB2 H 1 3.89 0.05 . 9 . . . . . . . . 5838 1 331 . 1 1 30 30 SER HB3 H 1 3.89 0.05 . 9 . . . . . . . . 5838 1 332 . 1 1 31 31 GLU C C 13 176.81 0.50 . 1 . . . . . . . . 5838 1 333 . 1 1 31 31 GLU N N 15 123.63 0.03 . 1 . . . . . . . . 5838 1 334 . 1 1 31 31 GLU CA C 13 58.51 0.50 . 1 . . . . . . . . 5838 1 335 . 1 1 31 31 GLU CB C 13 30.11 0.50 . 1 . . . . . . . . 5838 1 336 . 1 1 31 31 GLU CG C 13 36.04 0.50 . 1 . . . . . . . . 5838 1 337 . 1 1 31 31 GLU HA H 1 4.18 0.05 . 1 . . . . . . . . 5838 1 338 . 1 1 31 31 GLU H H 1 6.55 0.02 . 1 . . . . . . . . 5838 1 339 . 1 1 31 31 GLU HB2 H 1 1.97 0.05 . 9 . . . . . . . . 5838 1 340 . 1 1 31 31 GLU HB3 H 1 1.97 0.05 . 9 . . . . . . . . 5838 1 341 . 1 1 31 31 GLU HG2 H 1 2.27 0.05 . 1 . . . . . . . . 5838 1 342 . 1 1 31 31 GLU HG3 H 1 2.37 0.05 . 1 . . . . . . . . 5838 1 343 . 1 1 32 32 LEU C C 13 177.35 0.50 . 1 . . . . . . . . 5838 1 344 . 1 1 32 32 LEU N N 15 120.80 0.03 . 1 . . . . . . . . 5838 1 345 . 1 1 32 32 LEU CA C 13 57.62 0.50 . 1 . . . . . . . . 5838 1 346 . 1 1 32 32 LEU CB C 13 41.92 0.50 . 1 . . . . . . . . 5838 1 347 . 1 1 32 32 LEU HA H 1 3.91 0.05 . 1 . . . . . . . . 5838 1 348 . 1 1 32 32 LEU HG H 1 1.38 0.05 . 1 . . . . . . . . 5838 1 349 . 1 1 32 32 LEU H H 1 8.42 0.02 . 1 . . . . . . . . 5838 1 350 . 1 1 32 32 LEU HB2 H 1 1.15 0.05 . 1 . . . . . . . . 5838 1 351 . 1 1 32 32 LEU HB3 H 1 1.85 0.05 . 1 . . . . . . . . 5838 1 352 . 1 1 32 32 LEU HD11 H 1 0.67 0.05 . 1 . . . . . . . . 5838 1 353 . 1 1 32 32 LEU HD12 H 1 0.67 0.05 . 1 . . . . . . . . 5838 1 354 . 1 1 32 32 LEU HD13 H 1 0.67 0.05 . 1 . . . . . . . . 5838 1 355 . 1 1 32 32 LEU HD21 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 356 . 1 1 32 32 LEU HD22 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 357 . 1 1 32 32 LEU HD23 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 358 . 1 1 32 32 LEU CD1 C 13 25.08 0.50 . 1 . . . . . . . . 5838 1 359 . 1 1 32 32 LEU CD2 C 13 20.61 0.50 . 1 . . . . . . . . 5838 1 360 . 1 1 33 33 LYS C C 13 177.05 0.50 . 1 . . . . . . . . 5838 1 361 . 1 1 33 33 LYS N N 15 118.82 0.03 . 1 . . . . . . . . 5838 1 362 . 1 1 33 33 LYS CA C 13 60.13 0.50 . 1 . . . . . . . . 5838 1 363 . 1 1 33 33 LYS CB C 13 31.88 0.50 . 1 . . . . . . . . 5838 1 364 . 1 1 33 33 LYS CD C 13 29.67 0.50 . 1 . . . . . . . . 5838 1 365 . 1 1 33 33 LYS CE C 13 41.53 0.50 . 1 . . . . . . . . 5838 1 366 . 1 1 33 33 LYS CG C 13 24.26 0.50 . 1 . . . . . . . . 5838 1 367 . 1 1 33 33 LYS HA H 1 3.62 0.05 . 1 . . . . . . . . 5838 1 368 . 1 1 33 33 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 5838 1 369 . 1 1 33 33 LYS HB3 H 1 1.83 0.05 . 1 . . . . . . . . 5838 1 370 . 1 1 33 33 LYS HB2 H 1 1.96 0.05 . 1 . . . . . . . . 5838 1 371 . 1 1 33 33 LYS HD2 H 1 1.59 0.05 . 9 . . . . . . . . 5838 1 372 . 1 1 33 33 LYS HD3 H 1 1.59 0.05 . 9 . . . . . . . . 5838 1 373 . 1 1 33 33 LYS HE2 H 1 2.86 0.05 . 9 . . . . . . . . 5838 1 374 . 1 1 33 33 LYS HE3 H 1 2.86 0.05 . 9 . . . . . . . . 5838 1 375 . 1 1 33 33 LYS HG2 H 1 1.25 0.05 . 2 . . . . . . . . 5838 1 376 . 1 1 33 33 LYS HG3 H 1 1.35 0.05 . 2 . . . . . . . . 5838 1 377 . 1 1 34 34 GLU C C 13 178.00 0.50 . 1 . . . . . . . . 5838 1 378 . 1 1 34 34 GLU N N 15 116.58 0.03 . 1 . . . . . . . . 5838 1 379 . 1 1 34 34 GLU CA C 13 59.14 0.50 . 1 . . . . . . . . 5838 1 380 . 1 1 34 34 GLU CB C 13 28.86 0.50 . 1 . . . . . . . . 5838 1 381 . 1 1 34 34 GLU CG C 13 36.12 0.50 . 1 . . . . . . . . 5838 1 382 . 1 1 34 34 GLU HA H 1 4.01 0.05 . 1 . . . . . . . . 5838 1 383 . 1 1 34 34 GLU H H 1 7.35 0.02 . 1 . . . . . . . . 5838 1 384 . 1 1 34 34 GLU HB2 H 1 2.27 0.05 . 9 . . . . . . . . 5838 1 385 . 1 1 34 34 GLU HB3 H 1 2.27 0.05 . 9 . . . . . . . . 5838 1 386 . 1 1 34 34 GLU HG2 H 1 2.50 0.05 . 2 . . . . . . . . 5838 1 387 . 1 1 34 34 GLU HG3 H 1 2.56 0.05 . 2 . . . . . . . . 5838 1 388 . 1 1 35 35 LEU C C 13 179.09 0.50 . 1 . . . . . . . . 5838 1 389 . 1 1 35 35 LEU N N 15 123.68 0.03 . 1 . . . . . . . . 5838 1 390 . 1 1 35 35 LEU CA C 13 59.39 0.50 . 1 . . . . . . . . 5838 1 391 . 1 1 35 35 LEU CB C 13 41.77 0.50 . 1 . . . . . . . . 5838 1 392 . 1 1 35 35 LEU CG C 13 27.57 0.50 . 1 . . . . . . . . 5838 1 393 . 1 1 35 35 LEU HA H 1 2.60 0.05 . 1 . . . . . . . . 5838 1 394 . 1 1 35 35 LEU HG H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 395 . 1 1 35 35 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5838 1 396 . 1 1 35 35 LEU HB3 H 1 1.02 0.05 . 1 . . . . . . . . 5838 1 397 . 1 1 35 35 LEU HB2 H 1 1.56 0.05 . 1 . . . . . . . . 5838 1 398 . 1 1 35 35 LEU HD21 H 1 0.63 0.05 . 1 . . . . . . . . 5838 1 399 . 1 1 35 35 LEU HD22 H 1 0.63 0.05 . 1 . . . . . . . . 5838 1 400 . 1 1 35 35 LEU HD23 H 1 0.63 0.05 . 1 . . . . . . . . 5838 1 401 . 1 1 35 35 LEU HD11 H 1 0.74 0.05 . 1 . . . . . . . . 5838 1 402 . 1 1 35 35 LEU HD12 H 1 0.74 0.05 . 1 . . . . . . . . 5838 1 403 . 1 1 35 35 LEU HD13 H 1 0.74 0.05 . 1 . . . . . . . . 5838 1 404 . 1 1 35 35 LEU CD2 C 13 24.09 0.50 . 1 . . . . . . . . 5838 1 405 . 1 1 35 35 LEU CD1 C 13 27.01 0.50 . 1 . . . . . . . . 5838 1 406 . 1 1 36 36 ILE C C 13 178.24 0.50 . 1 . . . . . . . . 5838 1 407 . 1 1 36 36 ILE N N 15 120.89 0.03 . 1 . . . . . . . . 5838 1 408 . 1 1 36 36 ILE CA C 13 66.18 0.50 . 1 . . . . . . . . 5838 1 409 . 1 1 36 36 ILE CB C 13 37.94 0.50 . 1 . . . . . . . . 5838 1 410 . 1 1 36 36 ILE HA H 1 3.35 0.05 . 1 . . . . . . . . 5838 1 411 . 1 1 36 36 ILE HB H 1 1.73 0.05 . 1 . . . . . . . . 5838 1 412 . 1 1 36 36 ILE H H 1 8.25 0.02 . 1 . . . . . . . . 5838 1 413 . 1 1 36 36 ILE CD1 C 13 13.37 0.50 . 1 . . . . . . . . 5838 1 414 . 1 1 36 36 ILE CG1 C 13 29.77 0.50 . 1 . . . . . . . . 5838 1 415 . 1 1 36 36 ILE CG2 C 13 16.52 0.50 . 1 . . . . . . . . 5838 1 416 . 1 1 36 36 ILE HD11 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 417 . 1 1 36 36 ILE HD12 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 418 . 1 1 36 36 ILE HD13 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 419 . 1 1 36 36 ILE HG12 H 1 1.85 0.05 . 9 . . . . . . . . 5838 1 420 . 1 1 36 36 ILE HG13 H 1 1.85 0.05 . 9 . . . . . . . . 5838 1 421 . 1 1 36 36 ILE HG21 H 1 0.93 0.05 . 1 . . . . . . . . 5838 1 422 . 1 1 36 36 ILE HG22 H 1 0.93 0.05 . 1 . . . . . . . . 5838 1 423 . 1 1 36 36 ILE HG23 H 1 0.93 0.05 . 1 . . . . . . . . 5838 1 424 . 1 1 37 37 ASN C C 13 177.40 0.50 . 1 . . . . . . . . 5838 1 425 . 1 1 37 37 ASN N N 15 117.58 0.03 . 1 . . . . . . . . 5838 1 426 . 1 1 37 37 ASN CA C 13 54.48 0.50 . 1 . . . . . . . . 5838 1 427 . 1 1 37 37 ASN CB C 13 37.03 0.50 . 1 . . . . . . . . 5838 1 428 . 1 1 37 37 ASN CG C 13 175.17 0.50 . 1 . . . . . . . . 5838 1 429 . 1 1 37 37 ASN HA H 1 4.59 0.05 . 1 . . . . . . . . 5838 1 430 . 1 1 37 37 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 5838 1 431 . 1 1 37 37 ASN HB2 H 1 2.72 0.05 . 2 . . . . . . . . 5838 1 432 . 1 1 37 37 ASN HB3 H 1 2.79 0.05 . 2 . . . . . . . . 5838 1 433 . 1 1 37 37 ASN ND2 N 15 106.78 0.03 . 1 . . . . . . . . 5838 1 434 . 1 1 37 37 ASN HD22 H 1 7.12 0.05 . 1 . . . . . . . . 5838 1 435 . 1 1 37 37 ASN HD21 H 1 7.43 0.05 . 1 . . . . . . . . 5838 1 436 . 1 1 38 38 ASN C C 13 176.96 0.50 . 1 . . . . . . . . 5838 1 437 . 1 1 38 38 ASN N N 15 114.77 0.03 . 1 . . . . . . . . 5838 1 438 . 1 1 38 38 ASN CA C 13 54.73 0.50 . 1 . . . . . . . . 5838 1 439 . 1 1 38 38 ASN CB C 13 40.12 0.50 . 1 . . . . . . . . 5838 1 440 . 1 1 38 38 ASN CG C 13 177.38 0.50 . 1 . . . . . . . . 5838 1 441 . 1 1 38 38 ASN HA H 1 4.85 0.05 . 1 . . . . . . . . 5838 1 442 . 1 1 38 38 ASN H H 1 8.20 0.02 . 1 . . . . . . . . 5838 1 443 . 1 1 38 38 ASN HB3 H 1 2.73 0.05 . 1 . . . . . . . . 5838 1 444 . 1 1 38 38 ASN HB2 H 1 3.22 0.05 . 1 . . . . . . . . 5838 1 445 . 1 1 38 38 ASN ND2 N 15 113.34 0.03 . 1 . . . . . . . . 5838 1 446 . 1 1 38 38 ASN HD21 H 1 7.06 0.05 . 2 . . . . . . . . 5838 1 447 . 1 1 38 38 ASN HD22 H 1 7.96 0.05 . 2 . . . . . . . . 5838 1 448 . 1 1 39 39 GLU C C 13 178.30 0.50 . 1 . . . . . . . . 5838 1 449 . 1 1 39 39 GLU N N 15 113.93 0.03 . 1 . . . . . . . . 5838 1 450 . 1 1 39 39 GLU CA C 13 55.05 0.50 . 1 . . . . . . . . 5838 1 451 . 1 1 39 39 GLU CB C 13 29.90 0.50 . 1 . . . . . . . . 5838 1 452 . 1 1 39 39 GLU CG C 13 36.22 0.50 . 1 . . . . . . . . 5838 1 453 . 1 1 39 39 GLU HA H 1 4.96 0.05 . 1 . . . . . . . . 5838 1 454 . 1 1 39 39 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 5838 1 455 . 1 1 39 39 GLU HB3 H 1 1.87 0.05 . 2 . . . . . . . . 5838 1 456 . 1 1 39 39 GLU HB2 H 1 2.45 0.05 . 2 . . . . . . . . 5838 1 457 . 1 1 39 39 GLU HG3 H 1 2.27 0.05 . 2 . . . . . . . . 5838 1 458 . 1 1 39 39 GLU HG2 H 1 2.37 0.05 . 2 . . . . . . . . 5838 1 459 . 1 1 40 40 LEU C C 13 177.72 0.50 . 1 . . . . . . . . 5838 1 460 . 1 1 40 40 LEU N N 15 120.39 0.03 . 1 . . . . . . . . 5838 1 461 . 1 1 40 40 LEU CA C 13 53.82 0.50 . 1 . . . . . . . . 5838 1 462 . 1 1 40 40 LEU CB C 13 42.13 0.50 . 1 . . . . . . . . 5838 1 463 . 1 1 40 40 LEU CG C 13 26.39 0.50 . 1 . . . . . . . . 5838 1 464 . 1 1 40 40 LEU HA H 1 5.29 0.05 . 1 . . . . . . . . 5838 1 465 . 1 1 40 40 LEU HG H 1 1.57 0.05 . 1 . . . . . . . . 5838 1 466 . 1 1 40 40 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 5838 1 467 . 1 1 40 40 LEU HB2 H 1 2.06 0.05 . 1 . . . . . . . . 5838 1 468 . 1 1 40 40 LEU HB3 H 1 2.08 0.05 . 1 . . . . . . . . 5838 1 469 . 1 1 40 40 LEU HD11 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 470 . 1 1 40 40 LEU HD12 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 471 . 1 1 40 40 LEU HD13 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 472 . 1 1 40 40 LEU HD21 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 473 . 1 1 40 40 LEU HD22 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 474 . 1 1 40 40 LEU HD23 H 1 0.99 0.05 . 1 . . . . . . . . 5838 1 475 . 1 1 40 40 LEU CD2 C 13 23.65 0.50 . 1 . . . . . . . . 5838 1 476 . 1 1 40 40 LEU CD1 C 13 26.39 0.50 . 1 . . . . . . . . 5838 1 477 . 1 1 41 41 SER C C 13 175.65 0.50 . 1 . . . . . . . . 5838 1 478 . 1 1 41 41 SER N N 15 115.92 0.03 . 1 . . . . . . . . 5838 1 479 . 1 1 41 41 SER CA C 13 60.62 0.50 . 1 . . . . . . . . 5838 1 480 . 1 1 41 41 SER CB C 13 63.53 0.50 . 1 . . . . . . . . 5838 1 481 . 1 1 41 41 SER HA H 1 4.52 0.05 . 1 . . . . . . . . 5838 1 482 . 1 1 41 41 SER H H 1 7.43 0.02 . 1 . . . . . . . . 5838 1 483 . 1 1 41 41 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 5838 1 484 . 1 1 41 41 SER HB3 H 1 3.88 0.05 . 1 . . . . . . . . 5838 1 485 . 1 1 42 42 HIS C C 13 174.98 0.50 . 1 . . . . . . . . 5838 1 486 . 1 1 42 42 HIS N N 15 119.01 0.03 . 1 . . . . . . . . 5838 1 487 . 1 1 42 42 HIS CA C 13 58.50 0.50 . 1 . . . . . . . . 5838 1 488 . 1 1 42 42 HIS CB C 13 29.49 0.50 . 1 . . . . . . . . 5838 1 489 . 1 1 42 42 HIS HA H 1 4.50 0.05 . 1 . . . . . . . . 5838 1 490 . 1 1 42 42 HIS H H 1 9.79 0.02 . 1 . . . . . . . . 5838 1 491 . 1 1 42 42 HIS HB2 H 1 2.75 0.05 . 9 . . . . . . . . 5838 1 492 . 1 1 42 42 HIS HB3 H 1 2.75 0.05 . 9 . . . . . . . . 5838 1 493 . 1 1 43 43 PHE C C 13 175.11 0.50 . 1 . . . . . . . . 5838 1 494 . 1 1 43 43 PHE N N 15 116.67 0.03 . 1 . . . . . . . . 5838 1 495 . 1 1 43 43 PHE CA C 13 56.27 0.50 . 1 . . . . . . . . 5838 1 496 . 1 1 43 43 PHE CB C 13 40.25 0.50 . 1 . . . . . . . . 5838 1 497 . 1 1 43 43 PHE CD1 C 13 130.97 0.50 . 1 . . . . . . . . 5838 1 498 . 1 1 43 43 PHE CD2 C 13 130.97 0.50 . 1 . . . . . . . . 5838 1 499 . 1 1 43 43 PHE CE1 C 13 130.97 0.50 . 1 . . . . . . . . 5838 1 500 . 1 1 43 43 PHE CE2 C 13 130.97 0.50 . 1 . . . . . . . . 5838 1 501 . 1 1 43 43 PHE HA H 1 4.98 0.05 . 1 . . . . . . . . 5838 1 502 . 1 1 43 43 PHE H H 1 7.60 0.02 . 1 . . . . . . . . 5838 1 503 . 1 1 43 43 PHE HB2 H 1 2.83 0.05 . 1 . . . . . . . . 5838 1 504 . 1 1 43 43 PHE HB3 H 1 3.16 0.05 . 1 . . . . . . . . 5838 1 505 . 1 1 43 43 PHE HD1 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 506 . 1 1 43 43 PHE HD2 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 507 . 1 1 43 43 PHE HE1 H 1 7.19 0.05 . 1 . . . . . . . . 5838 1 508 . 1 1 43 43 PHE HE2 H 1 7.19 0.05 . 1 . . . . . . . . 5838 1 509 . 1 1 43 43 PHE HZ H 1 7.19 0.05 . 1 . . . . . . . . 5838 1 510 . 1 1 44 44 LEU C C 13 176.36 0.50 . 1 . . . . . . . . 5838 1 511 . 1 1 44 44 LEU N N 15 120.48 0.03 . 1 . . . . . . . . 5838 1 512 . 1 1 44 44 LEU CA C 13 53.48 0.50 . 1 . . . . . . . . 5838 1 513 . 1 1 44 44 LEU CB C 13 44.28 0.50 . 1 . . . . . . . . 5838 1 514 . 1 1 44 44 LEU CG C 13 27.93 0.50 . 1 . . . . . . . . 5838 1 515 . 1 1 44 44 LEU HA H 1 5.00 0.05 . 1 . . . . . . . . 5838 1 516 . 1 1 44 44 LEU HG H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 517 . 1 1 44 44 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 5838 1 518 . 1 1 44 44 LEU HB2 H 1 1.57 0.05 . 9 . . . . . . . . 5838 1 519 . 1 1 44 44 LEU HB3 H 1 1.57 0.05 . 9 . . . . . . . . 5838 1 520 . 1 1 44 44 LEU CD2 C 13 24.31 0.50 . 1 . . . . . . . . 5838 1 521 . 1 1 44 44 LEU CD1 C 13 26.10 0.50 . 1 . . . . . . . . 5838 1 522 . 1 1 44 44 LEU HD21 H 1 0.91 0.05 . 1 . . . . . . . . 5838 1 523 . 1 1 44 44 LEU HD22 H 1 0.91 0.05 . 1 . . . . . . . . 5838 1 524 . 1 1 44 44 LEU HD23 H 1 0.91 0.05 . 1 . . . . . . . . 5838 1 525 . 1 1 44 44 LEU HD11 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 526 . 1 1 44 44 LEU HD12 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 527 . 1 1 44 44 LEU HD13 H 1 1.01 0.05 . 1 . . . . . . . . 5838 1 528 . 1 1 45 45 GLU C C 13 175.42 0.50 . 1 . . . . . . . . 5838 1 529 . 1 1 45 45 GLU N N 15 120.75 0.03 . 1 . . . . . . . . 5838 1 530 . 1 1 45 45 GLU CA C 13 56.54 0.50 . 1 . . . . . . . . 5838 1 531 . 1 1 45 45 GLU CB C 13 29.51 0.50 . 1 . . . . . . . . 5838 1 532 . 1 1 45 45 GLU CG C 13 35.68 0.50 . 1 . . . . . . . . 5838 1 533 . 1 1 45 45 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 5838 1 534 . 1 1 45 45 GLU H H 1 8.14 0.02 . 1 . . . . . . . . 5838 1 535 . 1 1 45 45 GLU HB2 H 1 1.89 0.05 . 2 . . . . . . . . 5838 1 536 . 1 1 45 45 GLU HB3 H 1 1.98 0.05 . 2 . . . . . . . . 5838 1 537 . 1 1 45 45 GLU HG2 H 1 2.20 0.05 . 2 . . . . . . . . 5838 1 538 . 1 1 45 45 GLU HG3 H 1 2.30 0.05 . 2 . . . . . . . . 5838 1 539 . 1 1 46 46 GLU C C 13 177.14 0.50 . 1 . . . . . . . . 5838 1 540 . 1 1 46 46 GLU N N 15 122.74 0.03 . 1 . . . . . . . . 5838 1 541 . 1 1 46 46 GLU CA C 13 56.55 0.50 . 1 . . . . . . . . 5838 1 542 . 1 1 46 46 GLU CB C 13 29.62 0.50 . 1 . . . . . . . . 5838 1 543 . 1 1 46 46 GLU CG C 13 35.56 0.50 . 1 . . . . . . . . 5838 1 544 . 1 1 46 46 GLU HA H 1 4.06 0.05 . 1 . . . . . . . . 5838 1 545 . 1 1 46 46 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 5838 1 546 . 1 1 46 46 GLU HB2 H 1 1.77 0.05 . 2 . . . . . . . . 5838 1 547 . 1 1 46 46 GLU HB3 H 1 2.14 0.05 . 2 . . . . . . . . 5838 1 548 . 1 1 46 46 GLU HG2 H 1 2.00 0.05 . 1 . . . . . . . . 5838 1 549 . 1 1 46 46 GLU HG3 H 1 2.15 0.05 . 1 . . . . . . . . 5838 1 550 . 1 1 47 47 ILE C C 13 176.18 0.50 . 1 . . . . . . . . 5838 1 551 . 1 1 47 47 ILE N N 15 126.52 0.03 . 1 . . . . . . . . 5838 1 552 . 1 1 47 47 ILE CA C 13 61.53 0.50 . 1 . . . . . . . . 5838 1 553 . 1 1 47 47 ILE CB C 13 37.85 0.50 . 1 . . . . . . . . 5838 1 554 . 1 1 47 47 ILE HA H 1 4.09 0.05 . 1 . . . . . . . . 5838 1 555 . 1 1 47 47 ILE HB H 1 1.78 0.05 . 1 . . . . . . . . 5838 1 556 . 1 1 47 47 ILE H H 1 9.73 0.02 . 1 . . . . . . . . 5838 1 557 . 1 1 47 47 ILE HG13 H 1 1.80 0.05 . 1 . . . . . . . . 5838 1 558 . 1 1 47 47 ILE CD1 C 13 13.55 0.50 . 1 . . . . . . . . 5838 1 559 . 1 1 47 47 ILE CG1 C 13 26.41 0.50 . 1 . . . . . . . . 5838 1 560 . 1 1 47 47 ILE CG2 C 13 18.30 0.50 . 1 . . . . . . . . 5838 1 561 . 1 1 47 47 ILE HD11 H 1 0.82 0.05 . 1 . . . . . . . . 5838 1 562 . 1 1 47 47 ILE HD12 H 1 0.82 0.05 . 1 . . . . . . . . 5838 1 563 . 1 1 47 47 ILE HD13 H 1 0.82 0.05 . 1 . . . . . . . . 5838 1 564 . 1 1 47 47 ILE HG12 H 1 1.13 0.05 . 1 . . . . . . . . 5838 1 565 . 1 1 47 47 ILE HG21 H 1 0.83 0.05 . 1 . . . . . . . . 5838 1 566 . 1 1 47 47 ILE HG22 H 1 0.83 0.05 . 1 . . . . . . . . 5838 1 567 . 1 1 47 47 ILE HG23 H 1 0.83 0.05 . 1 . . . . . . . . 5838 1 568 . 1 1 48 48 LYS C C 13 176.10 0.50 . 1 . . . . . . . . 5838 1 569 . 1 1 48 48 LYS N N 15 126.79 0.03 . 1 . . . . . . . . 5838 1 570 . 1 1 48 48 LYS CA C 13 56.21 0.50 . 1 . . . . . . . . 5838 1 571 . 1 1 48 48 LYS CB C 13 34.16 0.50 . 1 . . . . . . . . 5838 1 572 . 1 1 48 48 LYS CD C 13 28.55 0.50 . 1 . . . . . . . . 5838 1 573 . 1 1 48 48 LYS CE C 13 41.65 0.50 . 1 . . . . . . . . 5838 1 574 . 1 1 48 48 LYS CG C 13 24.33 0.50 . 1 . . . . . . . . 5838 1 575 . 1 1 48 48 LYS HA H 1 1.86 0.05 . 1 . . . . . . . . 5838 1 576 . 1 1 48 48 LYS H H 1 8.86 0.02 . 1 . . . . . . . . 5838 1 577 . 1 1 48 48 LYS HB2 H 1 1.65 0.05 . 2 . . . . . . . . 5838 1 578 . 1 1 48 48 LYS HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5838 1 579 . 1 1 48 48 LYS HD2 H 1 1.66 0.05 . 9 . . . . . . . . 5838 1 580 . 1 1 48 48 LYS HD3 H 1 1.66 0.05 . 9 . . . . . . . . 5838 1 581 . 1 1 48 48 LYS HE2 H 1 2.95 0.05 . 9 . . . . . . . . 5838 1 582 . 1 1 48 48 LYS HE3 H 1 2.95 0.05 . 9 . . . . . . . . 5838 1 583 . 1 1 48 48 LYS HG2 H 1 1.32 0.05 . 9 . . . . . . . . 5838 1 584 . 1 1 48 48 LYS HG3 H 1 1.32 0.05 . 9 . . . . . . . . 5838 1 585 . 1 1 49 49 GLU N N 15 119.36 0.03 . 1 . . . . . . . . 5838 1 586 . 1 1 49 49 GLU CA C 13 55.47 0.50 . 1 . . . . . . . . 5838 1 587 . 1 1 49 49 GLU CB C 13 29.82 0.50 . 1 . . . . . . . . 5838 1 588 . 1 1 49 49 GLU CG C 13 35.57 0.50 . 1 . . . . . . . . 5838 1 589 . 1 1 49 49 GLU HA H 1 4.58 0.05 . 1 . . . . . . . . 5838 1 590 . 1 1 49 49 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 5838 1 591 . 1 1 49 49 GLU HB2 H 1 2.00 0.05 . 9 . . . . . . . . 5838 1 592 . 1 1 49 49 GLU HB3 H 1 2.00 0.05 . 9 . . . . . . . . 5838 1 593 . 1 1 49 49 GLU HG2 H 1 2.28 0.05 . 9 . . . . . . . . 5838 1 594 . 1 1 49 49 GLU HG3 H 1 2.28 0.05 . 9 . . . . . . . . 5838 1 595 . 1 1 50 50 GLN C C 13 177.22 0.50 . 1 . . . . . . . . 5838 1 596 . 1 1 50 50 GLN CA C 13 58.24 0.50 . 1 . . . . . . . . 5838 1 597 . 1 1 50 50 GLN CB C 13 27.91 0.50 . 1 . . . . . . . . 5838 1 598 . 1 1 50 50 GLN CG C 13 32.74 0.50 . 1 . . . . . . . . 5838 1 599 . 1 1 50 50 GLN CD C 13 180.36 0.50 . 1 . . . . . . . . 5838 1 600 . 1 1 50 50 GLN HA H 1 3.78 0.05 . 1 . . . . . . . . 5838 1 601 . 1 1 50 50 GLN NE2 N 15 114.07 0.03 . 1 . . . . . . . . 5838 1 602 . 1 1 50 50 GLN HB2 H 1 1.94 0.05 . 2 . . . . . . . . 5838 1 603 . 1 1 50 50 GLN HB3 H 1 2.17 0.05 . 2 . . . . . . . . 5838 1 604 . 1 1 50 50 GLN HG2 H 1 2.41 0.05 . 9 . . . . . . . . 5838 1 605 . 1 1 50 50 GLN HG3 H 1 2.41 0.05 . 9 . . . . . . . . 5838 1 606 . 1 1 50 50 GLN HE21 H 1 6.52 0.05 . 2 . . . . . . . . 5838 1 607 . 1 1 50 50 GLN HE22 H 1 7.95 0.05 . 2 . . . . . . . . 5838 1 608 . 1 1 51 51 GLU C C 13 178.60 0.50 . 1 . . . . . . . . 5838 1 609 . 1 1 51 51 GLU N N 15 117.54 0.03 . 1 . . . . . . . . 5838 1 610 . 1 1 51 51 GLU CA C 13 59.45 0.50 . 1 . . . . . . . . 5838 1 611 . 1 1 51 51 GLU CB C 13 28.82 0.50 . 1 . . . . . . . . 5838 1 612 . 1 1 51 51 GLU CG C 13 36.04 0.50 . 1 . . . . . . . . 5838 1 613 . 1 1 51 51 GLU HA H 1 4.14 0.05 . 1 . . . . . . . . 5838 1 614 . 1 1 51 51 GLU H H 1 9.27 0.02 . 1 . . . . . . . . 5838 1 615 . 1 1 51 51 GLU HB3 H 1 2.01 0.05 . 1 . . . . . . . . 5838 1 616 . 1 1 51 51 GLU HB2 H 1 2.10 0.05 . 1 . . . . . . . . 5838 1 617 . 1 1 51 51 GLU HG2 H 1 2.33 0.05 . 9 . . . . . . . . 5838 1 618 . 1 1 51 51 GLU HG3 H 1 2.33 0.05 . 9 . . . . . . . . 5838 1 619 . 1 1 52 52 VAL C C 13 177.56 0.50 . 1 . . . . . . . . 5838 1 620 . 1 1 52 52 VAL N N 15 118.51 0.03 . 1 . . . . . . . . 5838 1 621 . 1 1 52 52 VAL CA C 13 65.92 0.50 . 1 . . . . . . . . 5838 1 622 . 1 1 52 52 VAL CB C 13 31.10 0.50 . 1 . . . . . . . . 5838 1 623 . 1 1 52 52 VAL HA H 1 3.64 0.05 . 1 . . . . . . . . 5838 1 624 . 1 1 52 52 VAL HB H 1 2.23 0.05 . 1 . . . . . . . . 5838 1 625 . 1 1 52 52 VAL H H 1 7.11 0.02 . 1 . . . . . . . . 5838 1 626 . 1 1 52 52 VAL HG11 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 627 . 1 1 52 52 VAL HG12 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 628 . 1 1 52 52 VAL HG13 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 629 . 1 1 52 52 VAL HG21 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 630 . 1 1 52 52 VAL HG22 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 631 . 1 1 52 52 VAL HG23 H 1 1.05 0.05 . 1 . . . . . . . . 5838 1 632 . 1 1 52 52 VAL CG1 C 13 21.34 0.50 . 1 . . . . . . . . 5838 1 633 . 1 1 52 52 VAL CG2 C 13 22.15 0.50 . 1 . . . . . . . . 5838 1 634 . 1 1 53 53 VAL C C 13 177.37 0.50 . 1 . . . . . . . . 5838 1 635 . 1 1 53 53 VAL N N 15 119.91 0.03 . 1 . . . . . . . . 5838 1 636 . 1 1 53 53 VAL CA C 13 66.17 0.50 . 1 . . . . . . . . 5838 1 637 . 1 1 53 53 VAL CB C 13 30.71 0.50 . 1 . . . . . . . . 5838 1 638 . 1 1 53 53 VAL HA H 1 3.47 0.05 . 1 . . . . . . . . 5838 1 639 . 1 1 53 53 VAL HB H 1 2.15 0.05 . 1 . . . . . . . . 5838 1 640 . 1 1 53 53 VAL H H 1 7.24 0.02 . 1 . . . . . . . . 5838 1 641 . 1 1 53 53 VAL HG21 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 642 . 1 1 53 53 VAL HG22 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 643 . 1 1 53 53 VAL HG23 H 1 0.92 0.05 . 1 . . . . . . . . 5838 1 644 . 1 1 53 53 VAL HG11 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 645 . 1 1 53 53 VAL HG12 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 646 . 1 1 53 53 VAL HG13 H 1 0.96 0.05 . 1 . . . . . . . . 5838 1 647 . 1 1 53 53 VAL CG2 C 13 21.27 0.50 . 1 . . . . . . . . 5838 1 648 . 1 1 53 53 VAL CG1 C 13 22.72 0.50 . 1 . . . . . . . . 5838 1 649 . 1 1 54 54 ASP C C 13 178.68 0.50 . 1 . . . . . . . . 5838 1 650 . 1 1 54 54 ASP N N 15 120.84 0.03 . 1 . . . . . . . . 5838 1 651 . 1 1 54 54 ASP CA C 13 57.78 0.50 . 1 . . . . . . . . 5838 1 652 . 1 1 54 54 ASP CB C 13 39.50 0.50 . 1 . . . . . . . . 5838 1 653 . 1 1 54 54 ASP HA H 1 4.15 0.05 . 1 . . . . . . . . 5838 1 654 . 1 1 54 54 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5838 1 655 . 1 1 54 54 ASP HB2 H 1 2.64 0.05 . 1 . . . . . . . . 5838 1 656 . 1 1 54 54 ASP HB3 H 1 2.78 0.05 . 1 . . . . . . . . 5838 1 657 . 1 1 55 55 LYS C C 13 179.56 0.50 . 1 . . . . . . . . 5838 1 658 . 1 1 55 55 LYS N N 15 120.85 0.03 . 1 . . . . . . . . 5838 1 659 . 1 1 55 55 LYS CA C 13 58.43 0.50 . 1 . . . . . . . . 5838 1 660 . 1 1 55 55 LYS CB C 13 31.15 0.50 . 1 . . . . . . . . 5838 1 661 . 1 1 55 55 LYS CD C 13 28.20 0.50 . 1 . . . . . . . . 5838 1 662 . 1 1 55 55 LYS CE C 13 41.71 0.50 . 1 . . . . . . . . 5838 1 663 . 1 1 55 55 LYS CG C 13 24.24 0.50 . 1 . . . . . . . . 5838 1 664 . 1 1 55 55 LYS HA H 1 4.05 0.05 . 1 . . . . . . . . 5838 1 665 . 1 1 55 55 LYS H H 1 7.50 0.02 . 1 . . . . . . . . 5838 1 666 . 1 1 55 55 LYS HB2 H 1 1.63 0.05 . 1 . . . . . . . . 5838 1 667 . 1 1 55 55 LYS HB3 H 1 1.80 0.05 . 1 . . . . . . . . 5838 1 668 . 1 1 55 55 LYS HD2 H 1 1.59 0.05 . 9 . . . . . . . . 5838 1 669 . 1 1 55 55 LYS HD3 H 1 1.59 0.05 . 9 . . . . . . . . 5838 1 670 . 1 1 55 55 LYS HE2 H 1 2.89 0.05 . 9 . . . . . . . . 5838 1 671 . 1 1 55 55 LYS HE3 H 1 2.89 0.05 . 9 . . . . . . . . 5838 1 672 . 1 1 55 55 LYS HG2 H 1 1.42 0.05 . 9 . . . . . . . . 5838 1 673 . 1 1 55 55 LYS HG3 H 1 1.42 0.05 . 9 . . . . . . . . 5838 1 674 . 1 1 56 56 VAL C C 13 177.94 0.50 . 1 . . . . . . . . 5838 1 675 . 1 1 56 56 VAL N N 15 122.22 0.03 . 1 . . . . . . . . 5838 1 676 . 1 1 56 56 VAL CA C 13 66.84 0.50 . 1 . . . . . . . . 5838 1 677 . 1 1 56 56 VAL CB C 13 30.91 0.50 . 1 . . . . . . . . 5838 1 678 . 1 1 56 56 VAL HA H 1 3.51 0.05 . 1 . . . . . . . . 5838 1 679 . 1 1 56 56 VAL HB H 1 2.04 0.05 . 1 . . . . . . . . 5838 1 680 . 1 1 56 56 VAL H H 1 8.35 0.02 . 1 . . . . . . . . 5838 1 681 . 1 1 56 56 VAL HG11 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 682 . 1 1 56 56 VAL HG12 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 683 . 1 1 56 56 VAL HG13 H 1 0.69 0.05 . 1 . . . . . . . . 5838 1 684 . 1 1 56 56 VAL HG21 H 1 0.97 0.05 . 1 . . . . . . . . 5838 1 685 . 1 1 56 56 VAL HG22 H 1 0.97 0.05 . 1 . . . . . . . . 5838 1 686 . 1 1 56 56 VAL HG23 H 1 0.97 0.05 . 1 . . . . . . . . 5838 1 687 . 1 1 56 56 VAL CG1 C 13 21.07 0.50 . 1 . . . . . . . . 5838 1 688 . 1 1 56 56 VAL CG2 C 13 22.52 0.50 . 1 . . . . . . . . 5838 1 689 . 1 1 57 57 MET C C 13 177.16 0.50 . 1 . . . . . . . . 5838 1 690 . 1 1 57 57 MET N N 15 118.92 0.03 . 1 . . . . . . . . 5838 1 691 . 1 1 57 57 MET CA C 13 57.55 0.50 . 1 . . . . . . . . 5838 1 692 . 1 1 57 57 MET CB C 13 30.17 0.50 . 1 . . . . . . . . 5838 1 693 . 1 1 57 57 MET CE C 13 17.34 0.50 . 1 . . . . . . . . 5838 1 694 . 1 1 57 57 MET CG C 13 32.91 0.50 . 1 . . . . . . . . 5838 1 695 . 1 1 57 57 MET HA H 1 4.11 0.05 . 1 . . . . . . . . 5838 1 696 . 1 1 57 57 MET H H 1 8.38 0.02 . 1 . . . . . . . . 5838 1 697 . 1 1 57 57 MET HB2 H 1 2.00 0.05 . 9 . . . . . . . . 5838 1 698 . 1 1 57 57 MET HB3 H 1 2.00 0.05 . 9 . . . . . . . . 5838 1 699 . 1 1 57 57 MET HE1 H 1 1.94 0.05 . 9 . . . . . . . . 5838 1 700 . 1 1 57 57 MET HE2 H 1 1.94 0.05 . 9 . . . . . . . . 5838 1 701 . 1 1 57 57 MET HE3 H 1 1.94 0.05 . 9 . . . . . . . . 5838 1 702 . 1 1 57 57 MET HG2 H 1 2.38 0.05 . 9 . . . . . . . . 5838 1 703 . 1 1 57 57 MET HG3 H 1 2.38 0.05 . 9 . . . . . . . . 5838 1 704 . 1 1 58 58 GLU C C 13 178.60 0.50 . 1 . . . . . . . . 5838 1 705 . 1 1 58 58 GLU N N 15 118.05 0.03 . 1 . . . . . . . . 5838 1 706 . 1 1 58 58 GLU CA C 13 59.12 0.50 . 1 . . . . . . . . 5838 1 707 . 1 1 58 58 GLU CB C 13 29.11 0.50 . 1 . . . . . . . . 5838 1 708 . 1 1 58 58 GLU CG C 13 36.11 0.50 . 1 . . . . . . . . 5838 1 709 . 1 1 58 58 GLU HA H 1 4.02 0.05 . 1 . . . . . . . . 5838 1 710 . 1 1 58 58 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 5838 1 711 . 1 1 58 58 GLU HB3 H 1 2.10 0.05 . 1 . . . . . . . . 5838 1 712 . 1 1 58 58 GLU HB2 H 1 2.14 0.05 . 1 . . . . . . . . 5838 1 713 . 1 1 58 58 GLU HG3 H 1 2.23 0.05 . 1 . . . . . . . . 5838 1 714 . 1 1 58 58 GLU HG2 H 1 2.37 0.05 . 1 . . . . . . . . 5838 1 715 . 1 1 59 59 THR C C 13 175.18 0.50 . 1 . . . . . . . . 5838 1 716 . 1 1 59 59 THR N N 15 113.85 0.03 . 1 . . . . . . . . 5838 1 717 . 1 1 59 59 THR CA C 13 65.72 0.50 . 1 . . . . . . . . 5838 1 718 . 1 1 59 59 THR CB C 13 68.62 0.50 . 1 . . . . . . . . 5838 1 719 . 1 1 59 59 THR HA H 1 3.95 0.05 . 1 . . . . . . . . 5838 1 720 . 1 1 59 59 THR HB H 1 4.32 0.05 . 1 . . . . . . . . 5838 1 721 . 1 1 59 59 THR H H 1 7.56 0.02 . 1 . . . . . . . . 5838 1 722 . 1 1 59 59 THR CG2 C 13 20.68 0.50 . 1 . . . . . . . . 5838 1 723 . 1 1 59 59 THR HG21 H 1 1.19 0.05 . 1 . . . . . . . . 5838 1 724 . 1 1 59 59 THR HG22 H 1 1.19 0.05 . 1 . . . . . . . . 5838 1 725 . 1 1 59 59 THR HG23 H 1 1.19 0.05 . 1 . . . . . . . . 5838 1 726 . 1 1 60 60 LEU C C 13 178.06 0.50 . 1 . . . . . . . . 5838 1 727 . 1 1 60 60 LEU N N 15 119.95 0.03 . 1 . . . . . . . . 5838 1 728 . 1 1 60 60 LEU CA C 13 55.61 0.50 . 1 . . . . . . . . 5838 1 729 . 1 1 60 60 LEU CB C 13 42.69 0.50 . 1 . . . . . . . . 5838 1 730 . 1 1 60 60 LEU CG C 13 25.68 0.50 . 1 . . . . . . . . 5838 1 731 . 1 1 60 60 LEU HA H 1 4.22 0.05 . 1 . . . . . . . . 5838 1 732 . 1 1 60 60 LEU HG H 1 1.91 0.05 . 1 . . . . . . . . 5838 1 733 . 1 1 60 60 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 5838 1 734 . 1 1 60 60 LEU HB3 H 1 1.44 0.05 . 1 . . . . . . . . 5838 1 735 . 1 1 60 60 LEU HB2 H 1 1.63 0.05 . 1 . . . . . . . . 5838 1 736 . 1 1 60 60 LEU HD11 H 1 0.51 0.05 . 1 . . . . . . . . 5838 1 737 . 1 1 60 60 LEU HD12 H 1 0.51 0.05 . 1 . . . . . . . . 5838 1 738 . 1 1 60 60 LEU HD13 H 1 0.51 0.05 . 1 . . . . . . . . 5838 1 739 . 1 1 60 60 LEU HD21 H 1 0.78 0.05 . 1 . . . . . . . . 5838 1 740 . 1 1 60 60 LEU HD22 H 1 0.78 0.05 . 1 . . . . . . . . 5838 1 741 . 1 1 60 60 LEU HD23 H 1 0.78 0.05 . 1 . . . . . . . . 5838 1 742 . 1 1 60 60 LEU CD1 C 13 21.72 0.50 . 1 . . . . . . . . 5838 1 743 . 1 1 60 60 LEU CD2 C 13 24.43 0.50 . 1 . . . . . . . . 5838 1 744 . 1 1 61 61 ASP C C 13 176.28 0.50 . 1 . . . . . . . . 5838 1 745 . 1 1 61 61 ASP N N 15 117.61 0.03 . 1 . . . . . . . . 5838 1 746 . 1 1 61 61 ASP CA C 13 53.32 0.50 . 1 . . . . . . . . 5838 1 747 . 1 1 61 61 ASP CB C 13 39.55 0.50 . 1 . . . . . . . . 5838 1 748 . 1 1 61 61 ASP HA H 1 4.61 0.05 . 1 . . . . . . . . 5838 1 749 . 1 1 61 61 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 5838 1 750 . 1 1 61 61 ASP HB2 H 1 2.71 0.05 . 1 . . . . . . . . 5838 1 751 . 1 1 61 61 ASP HB3 H 1 2.79 0.05 . 1 . . . . . . . . 5838 1 752 . 1 1 62 62 SER C C 13 175.68 0.50 . 1 . . . . . . . . 5838 1 753 . 1 1 62 62 SER N N 15 125.14 0.03 . 1 . . . . . . . . 5838 1 754 . 1 1 62 62 SER CA C 13 59.88 0.50 . 1 . . . . . . . . 5838 1 755 . 1 1 62 62 SER CB C 13 64.02 0.50 . 1 . . . . . . . . 5838 1 756 . 1 1 62 62 SER HA H 1 4.39 0.05 . 1 . . . . . . . . 5838 1 757 . 1 1 62 62 SER H H 1 8.97 0.02 . 1 . . . . . . . . 5838 1 758 . 1 1 62 62 SER HB2 H 1 3.99 0.05 . 9 . . . . . . . . 5838 1 759 . 1 1 62 62 SER HB3 H 1 3.99 0.05 . 9 . . . . . . . . 5838 1 760 . 1 1 63 63 ASP C C 13 177.99 0.50 . 1 . . . . . . . . 5838 1 761 . 1 1 63 63 ASP N N 15 119.16 0.03 . 1 . . . . . . . . 5838 1 762 . 1 1 63 63 ASP CA C 13 53.16 0.50 . 1 . . . . . . . . 5838 1 763 . 1 1 63 63 ASP CB C 13 39.97 0.50 . 1 . . . . . . . . 5838 1 764 . 1 1 63 63 ASP HA H 1 4.67 0.05 . 1 . . . . . . . . 5838 1 765 . 1 1 63 63 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5838 1 766 . 1 1 63 63 ASP HB3 H 1 2.71 0.05 . 1 . . . . . . . . 5838 1 767 . 1 1 63 63 ASP HB2 H 1 3.03 0.05 . 1 . . . . . . . . 5838 1 768 . 1 1 64 64 GLY C C 13 175.19 0.50 . 1 . . . . . . . . 5838 1 769 . 1 1 64 64 GLY N N 15 109.58 0.03 . 1 . . . . . . . . 5838 1 770 . 1 1 64 64 GLY CA C 13 47.41 0.50 . 1 . . . . . . . . 5838 1 771 . 1 1 64 64 GLY H H 1 7.64 0.02 . 1 . . . . . . . . 5838 1 772 . 1 1 64 64 GLY HA3 H 1 3.81 0.05 . 1 . . . . . . . . 5838 1 773 . 1 1 64 64 GLY HA2 H 1 3.99 0.05 . 1 . . . . . . . . 5838 1 774 . 1 1 65 65 ASP C C 13 177.37 0.50 . 1 . . . . . . . . 5838 1 775 . 1 1 65 65 ASP N N 15 121.35 0.03 . 1 . . . . . . . . 5838 1 776 . 1 1 65 65 ASP CA C 13 53.55 0.50 . 1 . . . . . . . . 5838 1 777 . 1 1 65 65 ASP CB C 13 39.43 0.50 . 1 . . . . . . . . 5838 1 778 . 1 1 65 65 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 5838 1 779 . 1 1 65 65 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 5838 1 780 . 1 1 65 65 ASP HB3 H 1 2.54 0.05 . 1 . . . . . . . . 5838 1 781 . 1 1 65 65 ASP HB2 H 1 3.07 0.05 . 1 . . . . . . . . 5838 1 782 . 1 1 66 66 GLY C C 13 176.90 0.50 . 1 . . . . . . . . 5838 1 783 . 1 1 66 66 GLY N N 15 113.85 0.03 . 1 . . . . . . . . 5838 1 784 . 1 1 66 66 GLY CA C 13 45.59 0.50 . 1 . . . . . . . . 5838 1 785 . 1 1 66 66 GLY H H 1 10.20 0.02 . 1 . . . . . . . . 5838 1 786 . 1 1 66 66 GLY HA2 H 1 3.45 0.05 . 1 . . . . . . . . 5838 1 787 . 1 1 66 66 GLY HA3 H 1 4.11 0.05 . 1 . . . . . . . . 5838 1 788 . 1 1 67 67 GLU C C 13 175.05 0.50 . 1 . . . . . . . . 5838 1 789 . 1 1 67 67 GLU N N 15 118.77 0.03 . 1 . . . . . . . . 5838 1 790 . 1 1 67 67 GLU CA C 13 54.96 0.50 . 1 . . . . . . . . 5838 1 791 . 1 1 67 67 GLU CB C 13 34.52 0.50 . 1 . . . . . . . . 5838 1 792 . 1 1 67 67 GLU CG C 13 36.19 0.50 . 1 . . . . . . . . 5838 1 793 . 1 1 67 67 GLU HA H 1 4.60 0.05 . 1 . . . . . . . . 5838 1 794 . 1 1 67 67 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 5838 1 795 . 1 1 67 67 GLU HB3 H 1 1.71 0.05 . 1 . . . . . . . . 5838 1 796 . 1 1 67 67 GLU HB2 H 1 2.16 0.05 . 1 . . . . . . . . 5838 1 797 . 1 1 67 67 GLU HG2 H 1 2.02 0.05 . 9 . . . . . . . . 5838 1 798 . 1 1 67 67 GLU HG3 H 1 2.02 0.05 . 9 . . . . . . . . 5838 1 799 . 1 1 68 68 CYS C C 13 174.71 0.50 . 1 . . . . . . . . 5838 1 800 . 1 1 68 68 CYS N N 15 124.80 0.03 . 1 . . . . . . . . 5838 1 801 . 1 1 68 68 CYS CA C 13 56.81 0.50 . 1 . . . . . . . . 5838 1 802 . 1 1 68 68 CYS CB C 13 27.32 0.50 . 1 . . . . . . . . 5838 1 803 . 1 1 68 68 CYS HA H 1 5.73 0.05 . 1 . . . . . . . . 5838 1 804 . 1 1 68 68 CYS H H 1 9.45 0.02 . 1 . . . . . . . . 5838 1 805 . 1 1 68 68 CYS HB2 H 1 2.40 0.05 . 1 . . . . . . . . 5838 1 806 . 1 1 68 68 CYS HB3 H 1 3.24 0.05 . 1 . . . . . . . . 5838 1 807 . 1 1 69 69 ASP C C 13 175.57 0.50 . 1 . . . . . . . . 5838 1 808 . 1 1 69 69 ASP N N 15 132.19 0.03 . 1 . . . . . . . . 5838 1 809 . 1 1 69 69 ASP CA C 13 52.89 0.50 . 1 . . . . . . . . 5838 1 810 . 1 1 69 69 ASP CB C 13 39.97 0.50 . 1 . . . . . . . . 5838 1 811 . 1 1 69 69 ASP HA H 1 5.14 0.05 . 1 . . . . . . . . 5838 1 812 . 1 1 69 69 ASP H H 1 9.92 0.02 . 1 . . . . . . . . 5838 1 813 . 1 1 69 69 ASP HB2 H 1 2.88 0.05 . 1 . . . . . . . . 5838 1 814 . 1 1 69 69 ASP HB3 H 1 3.50 0.05 . 1 . . . . . . . . 5838 1 815 . 1 1 70 70 PHE C C 13 172.72 0.50 . 1 . . . . . . . . 5838 1 816 . 1 1 70 70 PHE N N 15 118.92 0.03 . 1 . . . . . . . . 5838 1 817 . 1 1 70 70 PHE CA C 13 62.88 0.50 . 1 . . . . . . . . 5838 1 818 . 1 1 70 70 PHE CB C 13 38.55 0.50 . 1 . . . . . . . . 5838 1 819 . 1 1 70 70 PHE CD1 C 13 131.02 0.50 . 1 . . . . . . . . 5838 1 820 . 1 1 70 70 PHE CD2 C 13 131.02 0.50 . 1 . . . . . . . . 5838 1 821 . 1 1 70 70 PHE CE1 C 13 129.17 0.50 . 1 . . . . . . . . 5838 1 822 . 1 1 70 70 PHE CE2 C 13 129.17 0.50 . 1 . . . . . . . . 5838 1 823 . 1 1 70 70 PHE CZ C 13 129.25 0.50 . 1 . . . . . . . . 5838 1 824 . 1 1 70 70 PHE HA H 1 3.11 0.05 . 1 . . . . . . . . 5838 1 825 . 1 1 70 70 PHE H H 1 8.90 0.02 . 1 . . . . . . . . 5838 1 826 . 1 1 70 70 PHE HB2 H 1 2.33 0.05 . 1 . . . . . . . . 5838 1 827 . 1 1 70 70 PHE HB3 H 1 2.46 0.05 . 1 . . . . . . . . 5838 1 828 . 1 1 70 70 PHE HD1 H 1 6.07 0.05 . 1 . . . . . . . . 5838 1 829 . 1 1 70 70 PHE HD2 H 1 6.07 0.05 . 1 . . . . . . . . 5838 1 830 . 1 1 70 70 PHE HE1 H 1 6.72 0.05 . 1 . . . . . . . . 5838 1 831 . 1 1 70 70 PHE HE2 H 1 6.72 0.05 . 1 . . . . . . . . 5838 1 832 . 1 1 70 70 PHE HZ H 1 6.88 0.05 . 1 . . . . . . . . 5838 1 833 . 1 1 71 71 GLN C C 13 179.81 0.50 . 1 . . . . . . . . 5838 1 834 . 1 1 71 71 GLN N N 15 118.94 0.03 . 1 . . . . . . . . 5838 1 835 . 1 1 71 71 GLN CA C 13 59.60 0.50 . 1 . . . . . . . . 5838 1 836 . 1 1 71 71 GLN CB C 13 27.77 0.50 . 1 . . . . . . . . 5838 1 837 . 1 1 71 71 GLN CG C 13 34.22 0.50 . 1 . . . . . . . . 5838 1 838 . 1 1 71 71 GLN CD C 13 180.16 0.50 . 1 . . . . . . . . 5838 1 839 . 1 1 71 71 GLN HA H 1 3.70 0.05 . 1 . . . . . . . . 5838 1 840 . 1 1 71 71 GLN H H 1 7.90 0.02 . 1 . . . . . . . . 5838 1 841 . 1 1 71 71 GLN NE2 N 15 112.87 0.03 . 1 . . . . . . . . 5838 1 842 . 1 1 71 71 GLN HB2 H 1 2.17 0.05 . 1 . . . . . . . . 5838 1 843 . 1 1 71 71 GLN HB3 H 1 2.24 0.05 . 1 . . . . . . . . 5838 1 844 . 1 1 71 71 GLN HG2 H 1 2.46 0.05 . 9 . . . . . . . . 5838 1 845 . 1 1 71 71 GLN HG3 H 1 2.46 0.05 . 9 . . . . . . . . 5838 1 846 . 1 1 71 71 GLN HE21 H 1 6.91 0.05 . 1 . . . . . . . . 5838 1 847 . 1 1 71 71 GLN HE22 H 1 7.61 0.05 . 1 . . . . . . . . 5838 1 848 . 1 1 72 72 GLU C C 13 179.70 0.50 . 1 . . . . . . . . 5838 1 849 . 1 1 72 72 GLU N N 15 123.68 0.03 . 1 . . . . . . . . 5838 1 850 . 1 1 72 72 GLU CA C 13 58.66 0.50 . 1 . . . . . . . . 5838 1 851 . 1 1 72 72 GLU CB C 13 29.65 0.50 . 1 . . . . . . . . 5838 1 852 . 1 1 72 72 GLU CG C 13 36.62 0.50 . 1 . . . . . . . . 5838 1 853 . 1 1 72 72 GLU HA H 1 4.11 0.05 . 1 . . . . . . . . 5838 1 854 . 1 1 72 72 GLU H H 1 8.88 0.02 . 1 . . . . . . . . 5838 1 855 . 1 1 72 72 GLU HB2 H 1 2.18 0.05 . 9 . . . . . . . . 5838 1 856 . 1 1 72 72 GLU HB3 H 1 2.18 0.05 . 9 . . . . . . . . 5838 1 857 . 1 1 72 72 GLU HG2 H 1 2.49 0.05 . 1 . . . . . . . . 5838 1 858 . 1 1 72 72 GLU HG3 H 1 2.81 0.05 . 1 . . . . . . . . 5838 1 859 . 1 1 73 73 PHE C C 13 175.81 0.50 . 1 . . . . . . . . 5838 1 860 . 1 1 73 73 PHE N N 15 123.23 0.03 . 1 . . . . . . . . 5838 1 861 . 1 1 73 73 PHE CA C 13 60.40 0.50 . 1 . . . . . . . . 5838 1 862 . 1 1 73 73 PHE CB C 13 39.07 0.50 . 1 . . . . . . . . 5838 1 863 . 1 1 73 73 PHE HA H 1 4.16 0.05 . 1 . . . . . . . . 5838 1 864 . 1 1 73 73 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 5838 1 865 . 1 1 73 73 PHE HB2 H 1 2.97 0.05 . 1 . . . . . . . . 5838 1 866 . 1 1 73 73 PHE HB3 H 1 3.20 0.05 . 1 . . . . . . . . 5838 1 867 . 1 1 73 73 PHE CD1 C 13 130.66 0.50 . 1 . . . . . . . . 5838 1 868 . 1 1 73 73 PHE CD2 C 13 130.66 0.50 . 1 . . . . . . . . 5838 1 869 . 1 1 73 73 PHE CZ C 13 128.80 0.50 . 1 . . . . . . . . 5838 1 870 . 1 1 73 73 PHE HD1 H 1 6.92 0.05 . 1 . . . . . . . . 5838 1 871 . 1 1 73 73 PHE HD2 H 1 6.92 0.05 . 1 . . . . . . . . 5838 1 872 . 1 1 73 73 PHE HE1 H 1 6.81 0.05 . 1 . . . . . . . . 5838 1 873 . 1 1 73 73 PHE HE2 H 1 6.81 0.05 . 1 . . . . . . . . 5838 1 874 . 1 1 73 73 PHE HZ H 1 7.26 0.05 . 1 . . . . . . . . 5838 1 875 . 1 1 74 74 MET C C 13 179.12 0.50 . 1 . . . . . . . . 5838 1 876 . 1 1 74 74 MET N N 15 119.87 0.03 . 1 . . . . . . . . 5838 1 877 . 1 1 74 74 MET CA C 13 55.53 0.50 . 1 . . . . . . . . 5838 1 878 . 1 1 74 74 MET CB C 13 29.79 0.50 . 1 . . . . . . . . 5838 1 879 . 1 1 74 74 MET HE1 H 1 1.65 0.05 . 1 . . . . . . . . 5838 1 880 . 1 1 74 74 MET HE2 H 1 1.65 0.05 . 1 . . . . . . . . 5838 1 881 . 1 1 74 74 MET HE3 H 1 1.65 0.05 . 1 . . . . . . . . 5838 1 882 . 1 1 74 74 MET CE C 13 15.12 0.50 . 1 . . . . . . . . 5838 1 883 . 1 1 74 74 MET CG C 13 32.34 0.50 . 1 . . . . . . . . 5838 1 884 . 1 1 74 74 MET HA H 1 4.12 0.05 . 1 . . . . . . . . 5838 1 885 . 1 1 74 74 MET H H 1 8.19 0.02 . 1 . . . . . . . . 5838 1 886 . 1 1 74 74 MET HB2 H 1 1.88 0.05 . 9 . . . . . . . . 5838 1 887 . 1 1 74 74 MET HB3 H 1 1.88 0.05 . 9 . . . . . . . . 5838 1 888 . 1 1 74 74 MET HG2 H 1 2.23 0.05 . 9 . . . . . . . . 5838 1 889 . 1 1 74 74 MET HG3 H 1 2.23 0.05 . 9 . . . . . . . . 5838 1 890 . 1 1 75 75 ALA C C 13 180.34 0.50 . 1 . . . . . . . . 5838 1 891 . 1 1 75 75 ALA N N 15 123.74 0.03 . 1 . . . . . . . . 5838 1 892 . 1 1 75 75 ALA CA C 13 54.98 0.50 . 1 . . . . . . . . 5838 1 893 . 1 1 75 75 ALA CB C 13 16.86 0.50 . 1 . . . . . . . . 5838 1 894 . 1 1 75 75 ALA HA H 1 4.13 0.05 . 1 . . . . . . . . 5838 1 895 . 1 1 75 75 ALA H H 1 7.57 0.02 . 1 . . . . . . . . 5838 1 896 . 1 1 75 75 ALA HB1 H 1 1.56 0.05 . 1 . . . . . . . . 5838 1 897 . 1 1 75 75 ALA HB2 H 1 1.56 0.05 . 1 . . . . . . . . 5838 1 898 . 1 1 75 75 ALA HB3 H 1 1.56 0.05 . 1 . . . . . . . . 5838 1 899 . 1 1 76 76 PHE C C 13 177.75 0.50 . 1 . . . . . . . . 5838 1 900 . 1 1 76 76 PHE N N 15 121.82 0.03 . 1 . . . . . . . . 5838 1 901 . 1 1 76 76 PHE CA C 13 59.18 0.50 . 1 . . . . . . . . 5838 1 902 . 1 1 76 76 PHE CB C 13 37.86 0.50 . 1 . . . . . . . . 5838 1 903 . 1 1 76 76 PHE CD1 C 13 131.84 0.50 . 1 . . . . . . . . 5838 1 904 . 1 1 76 76 PHE CD2 C 13 131.84 0.50 . 1 . . . . . . . . 5838 1 905 . 1 1 76 76 PHE CE1 C 13 131.12 0.50 . 1 . . . . . . . . 5838 1 906 . 1 1 76 76 PHE CE2 C 13 131.12 0.50 . 1 . . . . . . . . 5838 1 907 . 1 1 76 76 PHE CZ C 13 131.84 0.50 . 1 . . . . . . . . 5838 1 908 . 1 1 76 76 PHE HA H 1 4.46 0.05 . 1 . . . . . . . . 5838 1 909 . 1 1 76 76 PHE H H 1 7.56 0.02 . 1 . . . . . . . . 5838 1 910 . 1 1 76 76 PHE HB3 H 1 3.30 0.05 . 1 . . . . . . . . 5838 1 911 . 1 1 76 76 PHE HB2 H 1 3.52 0.05 . 1 . . . . . . . . 5838 1 912 . 1 1 76 76 PHE HD1 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 913 . 1 1 76 76 PHE HD2 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 914 . 1 1 76 76 PHE HE1 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 915 . 1 1 76 76 PHE HE2 H 1 7.02 0.05 . 1 . . . . . . . . 5838 1 916 . 1 1 76 76 PHE HZ H 1 6.81 0.05 . 1 . . . . . . . . 5838 1 917 . 1 1 77 77 VAL C C 13 179.38 0.50 . 1 . . . . . . . . 5838 1 918 . 1 1 77 77 VAL N N 15 120.33 0.03 . 1 . . . . . . . . 5838 1 919 . 1 1 77 77 VAL CA C 13 66.64 0.50 . 1 . . . . . . . . 5838 1 920 . 1 1 77 77 VAL CB C 13 30.49 0.50 . 1 . . . . . . . . 5838 1 921 . 1 1 77 77 VAL HA H 1 2.92 0.05 . 1 . . . . . . . . 5838 1 922 . 1 1 77 77 VAL HB H 1 1.85 0.05 . 1 . . . . . . . . 5838 1 923 . 1 1 77 77 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 5838 1 924 . 1 1 77 77 VAL HG21 H 1 0.26 0.05 . 1 . . . . . . . . 5838 1 925 . 1 1 77 77 VAL HG22 H 1 0.26 0.05 . 1 . . . . . . . . 5838 1 926 . 1 1 77 77 VAL HG23 H 1 0.26 0.05 . 1 . . . . . . . . 5838 1 927 . 1 1 77 77 VAL HG11 H 1 0.58 0.05 . 1 . . . . . . . . 5838 1 928 . 1 1 77 77 VAL HG12 H 1 0.58 0.05 . 1 . . . . . . . . 5838 1 929 . 1 1 77 77 VAL HG13 H 1 0.58 0.05 . 1 . . . . . . . . 5838 1 930 . 1 1 77 77 VAL CG1 C 13 20.03 0.50 . 1 . . . . . . . . 5838 1 931 . 1 1 77 77 VAL CG2 C 13 22.79 0.50 . 1 . . . . . . . . 5838 1 932 . 1 1 78 78 ALA C C 13 179.46 0.50 . 1 . . . . . . . . 5838 1 933 . 1 1 78 78 ALA N N 15 124.98 0.03 . 1 . . . . . . . . 5838 1 934 . 1 1 78 78 ALA CA C 13 55.88 0.50 . 1 . . . . . . . . 5838 1 935 . 1 1 78 78 ALA CB C 13 17.20 0.50 . 1 . . . . . . . . 5838 1 936 . 1 1 78 78 ALA HA H 1 3.97 0.05 . 1 . . . . . . . . 5838 1 937 . 1 1 78 78 ALA H H 1 8.42 0.02 . 1 . . . . . . . . 5838 1 938 . 1 1 78 78 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 5838 1 939 . 1 1 78 78 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 5838 1 940 . 1 1 78 78 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 5838 1 941 . 1 1 79 79 MET C C 13 178.78 0.50 . 1 . . . . . . . . 5838 1 942 . 1 1 79 79 MET N N 15 121.00 0.03 . 1 . . . . . . . . 5838 1 943 . 1 1 79 79 MET CA C 13 59.54 0.50 . 1 . . . . . . . . 5838 1 944 . 1 1 79 79 MET CB C 13 32.62 0.50 . 1 . . . . . . . . 5838 1 945 . 1 1 79 79 MET CE C 13 16.54 0.50 . 1 . . . . . . . . 5838 1 946 . 1 1 79 79 MET CG C 13 31.04 0.50 . 1 . . . . . . . . 5838 1 947 . 1 1 79 79 MET HA H 1 4.06 0.05 . 1 . . . . . . . . 5838 1 948 . 1 1 79 79 MET H H 1 7.92 0.02 . 1 . . . . . . . . 5838 1 949 . 1 1 79 79 MET HB3 H 1 2.18 0.05 . 1 . . . . . . . . 5838 1 950 . 1 1 79 79 MET HB2 H 1 2.37 0.05 . 1 . . . . . . . . 5838 1 951 . 1 1 79 79 MET HE1 H 1 2.07 0.05 . 1 . . . . . . . . 5838 1 952 . 1 1 79 79 MET HE2 H 1 2.07 0.05 . 1 . . . . . . . . 5838 1 953 . 1 1 79 79 MET HE3 H 1 2.07 0.05 . 1 . . . . . . . . 5838 1 954 . 1 1 79 79 MET HG2 H 1 2.55 0.05 . 1 . . . . . . . . 5838 1 955 . 1 1 79 79 MET HG3 H 1 2.80 0.05 . 1 . . . . . . . . 5838 1 956 . 1 1 80 80 ILE C C 13 178.60 0.50 . 1 . . . . . . . . 5838 1 957 . 1 1 80 80 ILE N N 15 119.42 0.03 . 1 . . . . . . . . 5838 1 958 . 1 1 80 80 ILE CA C 13 63.41 0.50 . 1 . . . . . . . . 5838 1 959 . 1 1 80 80 ILE CB C 13 37.25 0.50 . 1 . . . . . . . . 5838 1 960 . 1 1 80 80 ILE HA H 1 3.69 0.05 . 1 . . . . . . . . 5838 1 961 . 1 1 80 80 ILE HB H 1 1.61 0.05 . 1 . . . . . . . . 5838 1 962 . 1 1 80 80 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 5838 1 963 . 1 1 80 80 ILE CD1 C 13 12.09 0.50 . 1 . . . . . . . . 5838 1 964 . 1 1 80 80 ILE CG1 C 13 27.26 0.50 . 1 . . . . . . . . 5838 1 965 . 1 1 80 80 ILE CG2 C 13 17.25 0.50 . 1 . . . . . . . . 5838 1 966 . 1 1 80 80 ILE HD11 H 1 0.33 0.05 . 1 . . . . . . . . 5838 1 967 . 1 1 80 80 ILE HD12 H 1 0.33 0.05 . 1 . . . . . . . . 5838 1 968 . 1 1 80 80 ILE HD13 H 1 0.33 0.05 . 1 . . . . . . . . 5838 1 969 . 1 1 80 80 ILE HG12 H 1 0.84 0.05 . 1 . . . . . . . . 5838 1 970 . 1 1 80 80 ILE HG13 H 1 1.02 0.05 . 1 . . . . . . . . 5838 1 971 . 1 1 80 80 ILE HG21 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 972 . 1 1 80 80 ILE HG22 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 973 . 1 1 80 80 ILE HG23 H 1 0.65 0.05 . 1 . . . . . . . . 5838 1 974 . 1 1 81 81 THR C C 13 177.15 0.50 . 1 . . . . . . . . 5838 1 975 . 1 1 81 81 THR N N 15 118.51 0.03 . 1 . . . . . . . . 5838 1 976 . 1 1 81 81 THR CA C 13 67.64 0.50 . 1 . . . . . . . . 5838 1 977 . 1 1 81 81 THR CB C 13 67.97 0.50 . 1 . . . . . . . . 5838 1 978 . 1 1 81 81 THR HA H 1 3.77 0.05 . 1 . . . . . . . . 5838 1 979 . 1 1 81 81 THR HB H 1 4.23 0.05 . 1 . . . . . . . . 5838 1 980 . 1 1 81 81 THR H H 1 8.63 0.02 . 1 . . . . . . . . 5838 1 981 . 1 1 81 81 THR CG2 C 13 22.41 0.50 . 1 . . . . . . . . 5838 1 982 . 1 1 81 81 THR HG21 H 1 1.59 0.05 . 1 . . . . . . . . 5838 1 983 . 1 1 81 81 THR HG22 H 1 1.59 0.05 . 1 . . . . . . . . 5838 1 984 . 1 1 81 81 THR HG23 H 1 1.59 0.05 . 1 . . . . . . . . 5838 1 985 . 1 1 82 82 THR C C 13 176.53 0.50 . 1 . . . . . . . . 5838 1 986 . 1 1 82 82 THR N N 15 116.81 0.03 . 1 . . . . . . . . 5838 1 987 . 1 1 82 82 THR CA C 13 67.11 0.50 . 1 . . . . . . . . 5838 1 988 . 1 1 82 82 THR CB C 13 68.70 0.50 . 1 . . . . . . . . 5838 1 989 . 1 1 82 82 THR HA H 1 3.98 0.05 . 1 . . . . . . . . 5838 1 990 . 1 1 82 82 THR HB H 1 4.32 0.05 . 1 . . . . . . . . 5838 1 991 . 1 1 82 82 THR H H 1 8.20 0.02 . 1 . . . . . . . . 5838 1 992 . 1 1 82 82 THR CG2 C 13 21.30 0.50 . 1 . . . . . . . . 5838 1 993 . 1 1 82 82 THR HG21 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 994 . 1 1 82 82 THR HG22 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 995 . 1 1 82 82 THR HG23 H 1 1.30 0.05 . 1 . . . . . . . . 5838 1 996 . 1 1 83 83 ALA C C 13 180.27 0.50 . 1 . . . . . . . . 5838 1 997 . 1 1 83 83 ALA N N 15 125.06 0.03 . 1 . . . . . . . . 5838 1 998 . 1 1 83 83 ALA CA C 13 55.16 0.50 . 1 . . . . . . . . 5838 1 999 . 1 1 83 83 ALA CB C 13 17.78 0.50 . 1 . . . . . . . . 5838 1 1000 . 1 1 83 83 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 5838 1 1001 . 1 1 83 83 ALA H H 1 7.77 0.02 . 1 . . . . . . . . 5838 1 1002 . 1 1 83 83 ALA HB1 H 1 1.51 0.05 . 1 . . . . . . . . 5838 1 1003 . 1 1 83 83 ALA HB2 H 1 1.51 0.05 . 1 . . . . . . . . 5838 1 1004 . 1 1 83 83 ALA HB3 H 1 1.51 0.05 . 1 . . . . . . . . 5838 1 1005 . 1 1 84 84 CYS C C 13 177.09 0.50 . 1 . . . . . . . . 5838 1 1006 . 1 1 84 84 CYS N N 15 116.66 0.03 . 1 . . . . . . . . 5838 1 1007 . 1 1 84 84 CYS CA C 13 62.92 0.50 . 1 . . . . . . . . 5838 1 1008 . 1 1 84 84 CYS CB C 13 26.14 0.50 . 1 . . . . . . . . 5838 1 1009 . 1 1 84 84 CYS HA H 1 3.86 0.05 . 1 . . . . . . . . 5838 1 1010 . 1 1 84 84 CYS H H 1 8.27 0.02 . 1 . . . . . . . . 5838 1 1011 . 1 1 84 84 CYS HB2 H 1 2.38 0.05 . 1 . . . . . . . . 5838 1 1012 . 1 1 84 84 CYS HB3 H 1 2.77 0.05 . 1 . . . . . . . . 5838 1 1013 . 1 1 85 85 HIS C C 13 176.12 0.50 . 1 . . . . . . . . 5838 1 1014 . 1 1 85 85 HIS N N 15 120.10 0.03 . 1 . . . . . . . . 5838 1 1015 . 1 1 85 85 HIS CA C 13 59.66 0.50 . 1 . . . . . . . . 5838 1 1016 . 1 1 85 85 HIS HA H 1 3.91 0.05 . 1 . . . . . . . . 5838 1 1017 . 1 1 85 85 HIS H H 1 8.20 0.02 . 1 . . . . . . . . 5838 1 1018 . 1 1 86 86 GLU C C 13 177.67 0.50 . 1 . . . . . . . . 5838 1 1019 . 1 1 86 86 GLU N N 15 117.20 0.03 . 1 . . . . . . . . 5838 1 1020 . 1 1 86 86 GLU CA C 13 58.29 0.50 . 1 . . . . . . . . 5838 1 1021 . 1 1 86 86 GLU CB C 13 28.82 0.50 . 1 . . . . . . . . 5838 1 1022 . 1 1 86 86 GLU CG C 13 35.60 0.50 . 1 . . . . . . . . 5838 1 1023 . 1 1 86 86 GLU HA H 1 3.90 0.05 . 1 . . . . . . . . 5838 1 1024 . 1 1 86 86 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 5838 1 1025 . 1 1 86 86 GLU HB2 H 1 1.90 0.05 . 9 . . . . . . . . 5838 1 1026 . 1 1 86 86 GLU HB3 H 1 1.90 0.05 . 9 . . . . . . . . 5838 1 1027 . 1 1 86 86 GLU HG2 H 1 2.24 0.05 . 9 . . . . . . . . 5838 1 1028 . 1 1 86 86 GLU HG3 H 1 2.24 0.05 . 9 . . . . . . . . 5838 1 1029 . 1 1 87 87 PHE C C 13 176.52 0.50 . 1 . . . . . . . . 5838 1 1030 . 1 1 87 87 PHE N N 15 117.75 0.03 . 1 . . . . . . . . 5838 1 1031 . 1 1 87 87 PHE CB C 13 38.94 0.50 . 1 . . . . . . . . 5838 1 1032 . 1 1 87 87 PHE CA C 13 58.88 0.50 . 1 . . . . . . . . 5838 1 1033 . 1 1 87 87 PHE CD1 C 13 132.12 0.50 . 1 . . . . . . . . 5838 1 1034 . 1 1 87 87 PHE CD2 C 13 132.12 0.50 . 1 . . . . . . . . 5838 1 1035 . 1 1 87 87 PHE HA H 1 4.34 0.05 . 1 . . . . . . . . 5838 1 1036 . 1 1 87 87 PHE H H 1 7.60 0.02 . 1 . . . . . . . . 5838 1 1037 . 1 1 87 87 PHE HB2 H 1 2.75 0.05 . 2 . . . . . . . . 5838 1 1038 . 1 1 87 87 PHE HB3 H 1 2.86 0.05 . 2 . . . . . . . . 5838 1 1039 . 1 1 87 87 PHE HD1 H 1 6.95 0.05 . 1 . . . . . . . . 5838 1 1040 . 1 1 87 87 PHE HD2 H 1 6.95 0.05 . 1 . . . . . . . . 5838 1 1041 . 1 1 87 87 PHE HE1 H 1 7.14 0.05 . 1 . . . . . . . . 5838 1 1042 . 1 1 87 87 PHE HE2 H 1 7.14 0.05 . 1 . . . . . . . . 5838 1 1043 . 1 1 87 87 PHE HZ H 1 7.18 0.05 . 1 . . . . . . . . 5838 1 1044 . 1 1 88 88 PHE C C 13 175.77 0.50 . 1 . . . . . . . . 5838 1 1045 . 1 1 88 88 PHE N N 15 118.04 0.03 . 1 . . . . . . . . 5838 1 1046 . 1 1 88 88 PHE CA C 13 57.92 0.50 . 1 . . . . . . . . 5838 1 1047 . 1 1 88 88 PHE CB C 13 38.85 0.50 . 1 . . . . . . . . 5838 1 1048 . 1 1 88 88 PHE CD1 C 13 132.12 0.50 . 1 . . . . . . . . 5838 1 1049 . 1 1 88 88 PHE CD2 C 13 132.12 0.50 . 1 . . . . . . . . 5838 1 1050 . 1 1 88 88 PHE HA H 1 4.45 0.05 . 1 . . . . . . . . 5838 1 1051 . 1 1 88 88 PHE H H 1 7.78 0.02 . 1 . . . . . . . . 5838 1 1052 . 1 1 88 88 PHE HB2 H 1 2.79 0.05 . 1 . . . . . . . . 5838 1 1053 . 1 1 88 88 PHE HB3 H 1 3.07 0.05 . 1 . . . . . . . . 5838 1 1054 . 1 1 88 88 PHE HD1 H 1 7.10 0.05 . 1 . . . . . . . . 5838 1 1055 . 1 1 88 88 PHE HD2 H 1 7.10 0.05 . 1 . . . . . . . . 5838 1 1056 . 1 1 88 88 PHE HE1 H 1 7.21 0.05 . 1 . . . . . . . . 5838 1 1057 . 1 1 88 88 PHE HE2 H 1 7.21 0.05 . 1 . . . . . . . . 5838 1 1058 . 1 1 88 88 PHE HZ H 1 7.21 0.05 . 1 . . . . . . . . 5838 1 1059 . 1 1 89 89 GLU C C 13 175.81 0.50 . 1 . . . . . . . . 5838 1 1060 . 1 1 89 89 GLU N N 15 120.86 0.03 . 1 . . . . . . . . 5838 1 1061 . 1 1 89 89 GLU CA C 13 56.38 0.50 . 1 . . . . . . . . 5838 1 1062 . 1 1 89 89 GLU CB C 13 30.24 0.50 . 1 . . . . . . . . 5838 1 1063 . 1 1 89 89 GLU CG C 13 35.64 0.50 . 1 . . . . . . . . 5838 1 1064 . 1 1 89 89 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 5838 1 1065 . 1 1 89 89 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 5838 1 1066 . 1 1 89 89 GLU HB2 H 1 1.77 0.05 . 1 . . . . . . . . 5838 1 1067 . 1 1 89 89 GLU HB3 H 1 1.89 0.05 . 1 . . . . . . . . 5838 1 1068 . 1 1 89 89 GLU HG2 H 1 2.01 0.05 . 9 . . . . . . . . 5838 1 1069 . 1 1 89 89 GLU HG3 H 1 2.01 0.05 . 9 . . . . . . . . 5838 1 1070 . 1 1 90 90 HIS C C 13 173.86 0.50 . 1 . . . . . . . . 5838 1 1071 . 1 1 90 90 HIS N N 15 120.12 0.03 . 1 . . . . . . . . 5838 1 1072 . 1 1 90 90 HIS CA C 13 55.56 0.50 . 1 . . . . . . . . 5838 1 1073 . 1 1 90 90 HIS CB C 13 30.09 0.50 . 1 . . . . . . . . 5838 1 1074 . 1 1 90 90 HIS HA H 1 4.52 0.05 . 1 . . . . . . . . 5838 1 1075 . 1 1 90 90 HIS H H 1 7.90 0.02 . 1 . . . . . . . . 5838 1 1076 . 1 1 90 90 HIS HB2 H 1 2.96 0.05 . 2 . . . . . . . . 5838 1 1077 . 1 1 90 90 HIS HB3 H 1 3.01 0.05 . 2 . . . . . . . . 5838 1 1078 . 1 1 91 91 GLU N N 15 127.78 0.03 . 1 . . . . . . . . 5838 1 1079 . 1 1 91 91 GLU CA C 13 58.17 0.50 . 1 . . . . . . . . 5838 1 1080 . 1 1 91 91 GLU CB C 13 30.45 0.50 . 1 . . . . . . . . 5838 1 1081 . 1 1 91 91 GLU CG C 13 36.27 0.50 . 1 . . . . . . . . 5838 1 1082 . 1 1 91 91 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 5838 1 1083 . 1 1 91 91 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5838 1 1084 . 1 1 91 91 GLU HB2 H 1 1.88 0.05 . 1 . . . . . . . . 5838 1 1085 . 1 1 91 91 GLU HB3 H 1 2.03 0.05 . 1 . . . . . . . . 5838 1 1086 . 1 1 91 91 GLU HG2 H 1 2.18 0.05 . 9 . . . . . . . . 5838 1 1087 . 1 1 91 91 GLU HG3 H 1 2.18 0.05 . 9 . . . . . . . . 5838 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5838 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5838 2 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 . 3 2 3 3 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 5838 2 2 . 3 2 3 3 LEU HA H 1 4.32 0.05 . 1 . . . . . . . . 5838 2 3 . 3 2 3 3 LEU HB2 H 1 1.55 0.05 . 9 . . . . . . . . 5838 2 4 . 3 2 3 3 LEU HB3 H 1 1.55 0.05 . 9 . . . . . . . . 5838 2 5 . 3 2 3 3 LEU HD11 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 6 . 3 2 3 3 LEU HD12 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 7 . 3 2 3 3 LEU HD13 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 8 . 3 2 3 3 LEU HD21 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 9 . 3 2 3 3 LEU HD22 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 10 . 3 2 3 3 LEU HD23 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 11 . 3 2 4 4 ARG H H 1 8.29 0.02 . 1 . . . . . . . . 5838 2 12 . 3 2 4 4 ARG HA H 1 4.28 0.05 . 1 . . . . . . . . 5838 2 13 . 3 2 5 5 ARG H H 1 8.29 0.02 . 1 . . . . . . . . 5838 2 14 . 3 2 5 5 ARG HA H 1 4.28 0.05 . 1 . . . . . . . . 5838 2 15 . 3 2 5 5 ARG HB2 H 1 1.71 0.05 . 1 . . . . . . . . 5838 2 16 . 3 2 5 5 ARG HB3 H 1 1.79 0.05 . 1 . . . . . . . . 5838 2 17 . 3 2 5 5 ARG HG2 H 1 1.57 0.05 . 9 . . . . . . . . 5838 2 18 . 3 2 5 5 ARG HG3 H 1 1.57 0.05 . 9 . . . . . . . . 5838 2 19 . 3 2 5 5 ARG HD2 H 1 3.15 0.05 . 9 . . . . . . . . 5838 2 20 . 3 2 5 5 ARG HD3 H 1 3.15 0.05 . 9 . . . . . . . . 5838 2 21 . 3 2 6 6 SER H H 1 8.33 0.02 . 1 . . . . . . . . 5838 2 22 . 3 2 6 6 SER HA H 1 4.36 0.05 . 1 . . . . . . . . 5838 2 23 . 3 2 6 6 SER HB2 H 1 3.75 0.05 . 1 . . . . . . . . 5838 2 24 . 3 2 6 6 SER HB3 H 1 3.80 0.05 . 1 . . . . . . . . 5838 2 25 . 3 2 7 7 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 5838 2 26 . 3 2 7 7 ALA HA H 1 4.19 0.05 . 1 . . . . . . . . 5838 2 27 . 3 2 7 7 ALA HB1 H 1 1.25 0.05 . 1 . . . . . . . . 5838 2 28 . 3 2 7 7 ALA HB2 H 1 1.25 0.05 . 1 . . . . . . . . 5838 2 29 . 3 2 7 7 ALA HB3 H 1 1.25 0.05 . 1 . . . . . . . . 5838 2 30 . 3 2 8 8 HIS H H 1 7.57 0.02 . 1 . . . . . . . . 5838 2 31 . 3 2 8 8 HIS HA H 1 4.35 0.05 . 1 . . . . . . . . 5838 2 32 . 3 2 8 8 HIS HB2 H 1 2.90 0.05 . 1 . . . . . . . . 5838 2 33 . 3 2 8 8 HIS HB3 H 1 3.11 0.05 . 1 . . . . . . . . 5838 2 34 . 3 2 9 9 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5838 2 35 . 3 2 9 9 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 5838 2 36 . 3 2 9 9 ALA HB1 H 1 1.30 0.05 . 1 . . . . . . . . 5838 2 37 . 3 2 9 9 ALA HB2 H 1 1.30 0.05 . 1 . . . . . . . . 5838 2 38 . 3 2 9 9 ALA HB3 H 1 1.30 0.05 . 1 . . . . . . . . 5838 2 39 . 3 2 10 10 ARG H H 1 8.19 0.02 . 1 . . . . . . . . 5838 2 40 . 3 2 10 10 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 5838 2 41 . 3 2 10 10 ARG HB2 H 1 1.71 0.05 . 1 . . . . . . . . 5838 2 42 . 3 2 10 10 ARG HB3 H 1 1.80 0.05 . 1 . . . . . . . . 5838 2 43 . 3 2 11 11 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 5838 2 44 . 3 2 11 11 LYS HA H 1 3.88 0.05 . 1 . . . . . . . . 5838 2 45 . 3 2 11 11 LYS HB2 H 1 1.77 0.05 . 9 . . . . . . . . 5838 2 46 . 3 2 11 11 LYS HB3 H 1 1.77 0.05 . 9 . . . . . . . . 5838 2 47 . 3 2 11 11 LYS HG2 H 1 1.11 0.05 . 9 . . . . . . . . 5838 2 48 . 3 2 11 11 LYS HG3 H 1 1.11 0.05 . 9 . . . . . . . . 5838 2 49 . 3 2 11 11 LYS HD2 H 1 1.62 0.05 . 9 . . . . . . . . 5838 2 50 . 3 2 11 11 LYS HD3 H 1 1.62 0.05 . 9 . . . . . . . . 5838 2 51 . 3 2 11 11 LYS HE2 H 1 2.93 0.05 . 9 . . . . . . . . 5838 2 52 . 3 2 11 11 LYS HE3 H 1 2.93 0.05 . 9 . . . . . . . . 5838 2 53 . 3 2 12 12 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 5838 2 54 . 3 2 12 12 GLU HA H 1 4.23 0.05 . 1 . . . . . . . . 5838 2 55 . 3 2 12 12 GLU HB2 H 1 1.93 0.05 . 1 . . . . . . . . 5838 2 56 . 3 2 12 12 GLU HB3 H 1 2.05 0.05 . 1 . . . . . . . . 5838 2 57 . 3 2 12 12 GLU HG2 H 1 2.23 0.05 . 9 . . . . . . . . 5838 2 58 . 3 2 12 12 GLU HG3 H 1 2.23 0.05 . 9 . . . . . . . . 5838 2 59 . 3 2 13 13 THR H H 1 7.89 0.02 . 1 . . . . . . . . 5838 2 60 . 3 2 13 13 THR HA H 1 4.22 0.05 . 1 . . . . . . . . 5838 2 61 . 3 2 13 13 THR HB H 1 4.09 0.05 . 1 . . . . . . . . 5838 2 62 . 3 2 13 13 THR HG21 H 1 1.10 0.05 . 1 . . . . . . . . 5838 2 63 . 3 2 13 13 THR HG22 H 1 1.10 0.05 . 1 . . . . . . . . 5838 2 64 . 3 2 13 13 THR HG23 H 1 1.10 0.05 . 1 . . . . . . . . 5838 2 65 . 3 2 14 14 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5838 2 66 . 3 2 14 14 GLU HA H 1 4.13 0.05 . 1 . . . . . . . . 5838 2 67 . 3 2 14 14 GLU HB2 H 1 1.86 0.05 . 9 . . . . . . . . 5838 2 68 . 3 2 14 14 GLU HB3 H 1 1.86 0.05 . 9 . . . . . . . . 5838 2 69 . 3 2 14 14 GLU HG2 H 1 2.05 0.05 . 9 . . . . . . . . 5838 2 70 . 3 2 14 14 GLU HG3 H 1 2.12 0.05 . 9 . . . . . . . . 5838 2 71 . 3 2 15 15 PHE H H 1 7.90 0.02 . 1 . . . . . . . . 5838 2 72 . 3 2 15 15 PHE HA H 1 4.49 0.05 . 1 . . . . . . . . 5838 2 73 . 3 2 15 15 PHE HB2 H 1 3.00 0.05 . 9 . . . . . . . . 5838 2 74 . 3 2 15 15 PHE HB3 H 1 3.00 0.05 . 9 . . . . . . . . 5838 2 75 . 3 2 15 15 PHE HD1 H 1 7.17 0.05 . 1 . . . . . . . . 5838 2 76 . 3 2 15 15 PHE HD2 H 1 7.17 0.05 . 1 . . . . . . . . 5838 2 77 . 3 2 15 15 PHE HE1 H 1 7.25 0.05 . 1 . . . . . . . . 5838 2 78 . 3 2 15 15 PHE HE2 H 1 7.25 0.05 . 1 . . . . . . . . 5838 2 79 . 3 2 15 15 PHE HZ H 1 7.22 0.05 . 1 . . . . . . . . 5838 2 80 . 3 2 16 16 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 5838 2 81 . 3 2 16 16 LEU HA H 1 4.29 0.05 . 1 . . . . . . . . 5838 2 82 . 3 2 16 16 LEU HB2 H 1 1.47 0.05 . 9 . . . . . . . . 5838 2 83 . 3 2 16 16 LEU HB3 H 1 1.47 0.05 . 9 . . . . . . . . 5838 2 84 . 3 2 16 16 LEU HG H 1 1.44 0.05 . 1 . . . . . . . . 5838 2 85 . 3 2 16 16 LEU HD11 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 86 . 3 2 16 16 LEU HD12 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 87 . 3 2 16 16 LEU HD13 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 88 . 3 2 16 16 LEU HD21 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 89 . 3 2 16 16 LEU HD22 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 90 . 3 2 16 16 LEU HD23 H 1 0.75 0.05 . 9 . . . . . . . . 5838 2 91 . 3 2 17 17 ARG H H 1 7.67 0.02 . 1 . . . . . . . . 5838 2 92 . 3 2 17 17 ARG HA H 1 4.10 0.05 . 1 . . . . . . . . 5838 2 93 . 3 2 17 17 ARG HB2 H 1 1.75 0.05 . 9 . . . . . . . . 5838 2 94 . 3 2 17 17 ARG HB3 H 1 1.75 0.05 . 9 . . . . . . . . 5838 2 95 . 3 2 17 17 ARG HG2 H 1 1.64 0.05 . 9 . . . . . . . . 5838 2 96 . 3 2 17 17 ARG HG3 H 1 1.64 0.05 . 9 . . . . . . . . 5838 2 97 . 3 2 18 18 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 5838 2 98 . 3 2 18 18 LEU HA H 1 4.18 0.05 . 1 . . . . . . . . 5838 2 99 . 3 2 18 18 LEU HB2 H 1 1.46 0.05 . 9 . . . . . . . . 5838 2 100 . 3 2 18 18 LEU HB3 H 1 1.46 0.05 . 9 . . . . . . . . 5838 2 101 . 3 2 18 18 LEU HG H 1 1.49 0.05 . 1 . . . . . . . . 5838 2 102 . 3 2 18 18 LEU HD11 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 103 . 3 2 18 18 LEU HD12 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 104 . 3 2 18 18 LEU HD13 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 105 . 3 2 18 18 LEU HD21 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 106 . 3 2 18 18 LEU HD22 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 107 . 3 2 18 18 LEU HD23 H 1 0.84 0.05 . 9 . . . . . . . . 5838 2 108 . 3 2 19 19 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 5838 2 109 . 3 2 19 19 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 5838 2 110 . 3 2 19 19 LYS HB2 H 1 1.76 0.05 . 9 . . . . . . . . 5838 2 111 . 3 2 19 19 LYS HB3 H 1 1.76 0.05 . 9 . . . . . . . . 5838 2 112 . 3 2 19 19 LYS HG2 H 1 1.33 0.05 . 9 . . . . . . . . 5838 2 113 . 3 2 19 19 LYS HG3 H 1 1.33 0.05 . 9 . . . . . . . . 5838 2 114 . 3 2 19 19 LYS HD2 H 1 1.65 0.05 . 9 . . . . . . . . 5838 2 115 . 3 2 19 19 LYS HD3 H 1 1.65 0.05 . 9 . . . . . . . . 5838 2 116 . 3 2 19 19 LYS HE2 H 1 2.86 0.05 . 9 . . . . . . . . 5838 2 117 . 3 2 19 19 LYS HE3 H 1 2.86 0.05 . 9 . . . . . . . . 5838 2 118 . 3 2 20 20 ARG H H 1 8.08 0.02 . 1 . . . . . . . . 5838 2 119 . 3 2 20 20 ARG HA H 1 4.24 0.05 . 1 . . . . . . . . 5838 2 120 . 3 2 20 20 ARG HB2 H 1 1.78 0.05 . 9 . . . . . . . . 5838 2 121 . 3 2 20 20 ARG HB3 H 1 1.78 0.05 . 9 . . . . . . . . 5838 2 122 . 3 2 20 20 ARG HG2 H 1 1.70 0.05 . 9 . . . . . . . . 5838 2 123 . 3 2 20 20 ARG HG3 H 1 1.70 0.05 . 9 . . . . . . . . 5838 2 124 . 3 2 21 21 THR HA H 1 4.17 0.05 . 1 . . . . . . . . 5838 2 125 . 3 2 21 21 THR HB H 1 4.17 0.05 . 1 . . . . . . . . 5838 2 126 . 3 2 21 21 THR HG21 H 1 1.11 0.05 . 1 . . . . . . . . 5838 2 127 . 3 2 21 21 THR HG22 H 1 1.11 0.05 . 1 . . . . . . . . 5838 2 128 . 3 2 21 21 THR HG23 H 1 1.11 0.05 . 1 . . . . . . . . 5838 2 129 . 3 2 22 22 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 5838 2 130 . 3 2 22 22 ARG HA H 1 4.21 0.05 . 1 . . . . . . . . 5838 2 131 . 3 2 22 22 ARG HB2 H 1 1.77 0.05 . 1 . . . . . . . . 5838 2 132 . 3 2 22 22 ARG HB3 H 1 1.65 0.05 . 1 . . . . . . . . 5838 2 133 . 3 2 22 22 ARG HG2 H 1 1.53 0.05 . 9 . . . . . . . . 5838 2 134 . 3 2 22 22 ARG HG3 H 1 1.53 0.05 . 9 . . . . . . . . 5838 2 135 . 3 2 23 23 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 5838 2 136 . 3 2 23 23 LEU HA H 1 4.24 0.05 . 1 . . . . . . . . 5838 2 137 . 3 2 23 23 LEU HB2 H 1 1.52 0.05 . 9 . . . . . . . . 5838 2 138 . 3 2 23 23 LEU HB3 H 1 1.52 0.05 . 9 . . . . . . . . 5838 2 139 . 3 2 23 23 LEU HG H 1 1.52 0.05 . 1 . . . . . . . . 5838 2 140 . 3 2 23 23 LEU HD11 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 141 . 3 2 23 23 LEU HD12 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 142 . 3 2 23 23 LEU HD13 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 143 . 3 2 23 23 LEU HD21 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 144 . 3 2 23 23 LEU HD22 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 145 . 3 2 23 23 LEU HD23 H 1 0.72 0.05 . 9 . . . . . . . . 5838 2 146 . 3 2 24 24 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 5838 2 147 . 3 2 24 24 GLY HA2 H 1 3.85 0.05 . 9 . . . . . . . . 5838 2 148 . 3 2 24 24 GLY HA3 H 1 3.85 0.05 . 9 . . . . . . . . 5838 2 149 . 3 2 25 25 LEU H H 1 7.52 0.02 . 1 . . . . . . . . 5838 2 150 . 3 2 25 25 LEU HA H 1 4.13 0.05 . 1 . . . . . . . . 5838 2 151 . 3 2 25 25 LEU HB2 H 1 1.49 0.05 . 9 . . . . . . . . 5838 2 152 . 3 2 25 25 LEU HB3 H 1 1.49 0.05 . 9 . . . . . . . . 5838 2 153 . 3 2 25 25 LEU HG H 1 1.49 0.05 . 1 . . . . . . . . 5838 2 154 . 3 2 25 25 LEU HD11 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 155 . 3 2 25 25 LEU HD12 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 156 . 3 2 25 25 LEU HD13 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 157 . 3 2 25 25 LEU HD21 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 158 . 3 2 25 25 LEU HD22 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 159 . 3 2 25 25 LEU HD23 H 1 0.74 0.05 . 9 . . . . . . . . 5838 2 stop_ save_