data_25087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25087 _Entry.Title ; Resonance assignments of myristoylated Y28F/Y67F mutant of the Mason-Pfizer monkey virus matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-14 _Entry.Accession_date 2014-07-14 _Entry.Last_release_date 2015-03-24 _Entry.Original_release_date 2015-03-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michal Dolezal . . . 25087 2 Richard Hrabal . . . 25087 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25087 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of NMR Spectroscopy, Institute of Chemical Technology, Prague' . 25087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 913 25087 '13C chemical shifts' 575 25087 '15N chemical shifts' 141 25087 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 . . 2015-03-24 2014-07-14 original author . 25087 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25773138 _Citation.Full_citation . _Citation.Title 'Resonance assignments of myristoylated Y28F/Y67F mutant of the Mason-Pfizer monkey virus matrix protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _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 Michal Dolezal . . . 25087 1 2 Richard Hrabal . . . 25087 1 3 Tomas Ruml . . . 25087 1 4 Michaela Rumlova . . . 25087 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'isotopic labeling' 25087 1 'matrix protein' 25087 1 M-PMV 25087 1 'Mason-Pfizer monkey virus' 25087 1 myristoylation 25087 1 'resonance assignment' 25087 1 'reverse labeling' 25087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25087 _Assembly.ID 1 _Assembly.Name 'MPMV MA Y28F Y67F' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14867.84 _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminally myristoylated protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MPMV_MA_Y28F_Y67F 1 $MPMV_MA_Y28F_Y67F A . yes native no no . . 'N-terminally myristoylated protein' 25087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPMV_MA_Y28F_Y67F _Entity.Sf_category entity _Entity.Sf_framecode MPMV_MA_Y28F_Y67F _Entity.Entry_ID 25087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MPMV_MA_Y28F_Y67F _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGQELSQHERYVEQLKQALK TRGVKVKFADLLKFFDFVKD TCPWFPQEGTIDIKRWRRVG DCFQDYFNTFGPEKVPVTAF SYWNLIKELIDKKEVNPQVM AAVAQTEEILKSNSQTDLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 2,G _Entity.Polymer_author_seq_details 'the protein is N-terminally myristoylated' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Y28F, Y67F' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14867.84 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'the N-terminal glycine is designated as residue 2' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18282 . M-PMV_MATRIX_PROTEIN . . . . . 99.20 124 98.39 100.00 7.86e-86 . . . . 25087 1 2 no PDB 1BAX . "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure" . . . . . 74.40 94 97.85 100.00 4.47e-61 . . . . 25087 1 3 no PDB 2F76 . "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)" . . . . . 79.20 100 97.98 100.00 4.33e-66 . . . . 25087 1 4 no PDB 2F77 . "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)" . . . . . 79.20 100 96.97 98.99 9.36e-65 . . . . 25087 1 5 no PDB 2LPY . "Solution Structure Of The M-Pmv Myristoylated Matrix Protein" . . . . . 99.20 124 98.39 100.00 7.86e-86 . . . . 25087 1 6 no PDB 2MV4 . "Solution Structure Of Myristoylated Y28f/y67f Mutant Of The Mason- Pfizer Monkey Virus Matrix Protein" . . . . . 99.20 125 100.00 100.00 1.43e-86 . . . . 25087 1 7 no GB AAA47710 . "gag polyprotein [Mason-Pfizer monkey virus]" . . . . . 93.60 657 98.29 100.00 7.67e-74 . . . . 25087 1 8 no GB AAC82573 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 93.60 657 98.29 100.00 7.67e-74 . . . . 25087 1 9 no GB AAC82574 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 93.60 911 98.29 100.00 9.14e-73 . . . . 25087 1 10 no GB AAC82576 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 93.60 1771 98.29 100.00 2.65e-71 . . . . 25087 1 11 no GB ABD83648 . "codon usage optimized MPMV-gag protein [synthetic construct]" . . . . . 93.60 657 98.29 100.00 7.67e-74 . . . . 25087 1 12 no REF NP_056891 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 93.60 1771 98.29 100.00 2.65e-71 . . . . 25087 1 13 no REF NP_056892 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 93.60 911 98.29 100.00 9.14e-73 . . . . 25087 1 14 no REF NP_056893 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 93.60 657 98.29 100.00 7.67e-74 . . . . 25087 1 15 no REF NP_954557 . "p10 MA [Mason-Pfizer monkey virus]" . . . . . 79.20 99 97.98 100.00 4.20e-66 . . . . 25087 1 16 no REF NP_954565 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 93.60 1771 98.29 100.00 2.65e-71 . . . . 25087 1 17 no SP P07567 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 93.60 657 98.29 100.00 7.67e-74 . . . . 25087 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MYR . 25087 1 2 2 GLY . 25087 1 3 3 GLN . 25087 1 4 4 GLU . 25087 1 5 5 LEU . 25087 1 6 6 SER . 25087 1 7 7 GLN . 25087 1 8 8 HIS . 25087 1 9 9 GLU . 25087 1 10 10 ARG . 25087 1 11 11 TYR . 25087 1 12 12 VAL . 25087 1 13 13 GLU . 25087 1 14 14 GLN . 25087 1 15 15 LEU . 25087 1 16 16 LYS . 25087 1 17 17 GLN . 25087 1 18 18 ALA . 25087 1 19 19 LEU . 25087 1 20 20 LYS . 25087 1 21 21 THR . 25087 1 22 22 ARG . 25087 1 23 23 GLY . 25087 1 24 24 VAL . 25087 1 25 25 LYS . 25087 1 26 26 VAL . 25087 1 27 27 LYS . 25087 1 28 28 PHE . 25087 1 29 29 ALA . 25087 1 30 30 ASP . 25087 1 31 31 LEU . 25087 1 32 32 LEU . 25087 1 33 33 LYS . 25087 1 34 34 PHE . 25087 1 35 35 PHE . 25087 1 36 36 ASP . 25087 1 37 37 PHE . 25087 1 38 38 VAL . 25087 1 39 39 LYS . 25087 1 40 40 ASP . 25087 1 41 41 THR . 25087 1 42 42 CYS . 25087 1 43 43 PRO . 25087 1 44 44 TRP . 25087 1 45 45 PHE . 25087 1 46 46 PRO . 25087 1 47 47 GLN . 25087 1 48 48 GLU . 25087 1 49 49 GLY . 25087 1 50 50 THR . 25087 1 51 51 ILE . 25087 1 52 52 ASP . 25087 1 53 53 ILE . 25087 1 54 54 LYS . 25087 1 55 55 ARG . 25087 1 56 56 TRP . 25087 1 57 57 ARG . 25087 1 58 58 ARG . 25087 1 59 59 VAL . 25087 1 60 60 GLY . 25087 1 61 61 ASP . 25087 1 62 62 CYS . 25087 1 63 63 PHE . 25087 1 64 64 GLN . 25087 1 65 65 ASP . 25087 1 66 66 TYR . 25087 1 67 67 PHE . 25087 1 68 68 ASN . 25087 1 69 69 THR . 25087 1 70 70 PHE . 25087 1 71 71 GLY . 25087 1 72 72 PRO . 25087 1 73 73 GLU . 25087 1 74 74 LYS . 25087 1 75 75 VAL . 25087 1 76 76 PRO . 25087 1 77 77 VAL . 25087 1 78 78 THR . 25087 1 79 79 ALA . 25087 1 80 80 PHE . 25087 1 81 81 SER . 25087 1 82 82 TYR . 25087 1 83 83 TRP . 25087 1 84 84 ASN . 25087 1 85 85 LEU . 25087 1 86 86 ILE . 25087 1 87 87 LYS . 25087 1 88 88 GLU . 25087 1 89 89 LEU . 25087 1 90 90 ILE . 25087 1 91 91 ASP . 25087 1 92 92 LYS . 25087 1 93 93 LYS . 25087 1 94 94 GLU . 25087 1 95 95 VAL . 25087 1 96 96 ASN . 25087 1 97 97 PRO . 25087 1 98 98 GLN . 25087 1 99 99 VAL . 25087 1 100 100 MET . 25087 1 101 101 ALA . 25087 1 102 102 ALA . 25087 1 103 103 VAL . 25087 1 104 104 ALA . 25087 1 105 105 GLN . 25087 1 106 106 THR . 25087 1 107 107 GLU . 25087 1 108 108 GLU . 25087 1 109 109 ILE . 25087 1 110 110 LEU . 25087 1 111 111 LYS . 25087 1 112 112 SER . 25087 1 113 113 ASN . 25087 1 114 114 SER . 25087 1 115 115 GLN . 25087 1 116 116 THR . 25087 1 117 117 ASP . 25087 1 118 118 LEU . 25087 1 119 119 GLU . 25087 1 120 120 HIS . 25087 1 121 121 HIS . 25087 1 122 122 HIS . 25087 1 123 123 HIS . 25087 1 124 124 HIS . 25087 1 125 125 HIS . 25087 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 . MYR 1 1 25087 1 . GLY 2 2 25087 1 . GLN 3 3 25087 1 . GLU 4 4 25087 1 . LEU 5 5 25087 1 . SER 6 6 25087 1 . GLN 7 7 25087 1 . HIS 8 8 25087 1 . GLU 9 9 25087 1 . ARG 10 10 25087 1 . TYR 11 11 25087 1 . VAL 12 12 25087 1 . GLU 13 13 25087 1 . GLN 14 14 25087 1 . LEU 15 15 25087 1 . LYS 16 16 25087 1 . GLN 17 17 25087 1 . ALA 18 18 25087 1 . LEU 19 19 25087 1 . LYS 20 20 25087 1 . THR 21 21 25087 1 . ARG 22 22 25087 1 . GLY 23 23 25087 1 . VAL 24 24 25087 1 . LYS 25 25 25087 1 . VAL 26 26 25087 1 . LYS 27 27 25087 1 . PHE 28 28 25087 1 . ALA 29 29 25087 1 . ASP 30 30 25087 1 . LEU 31 31 25087 1 . LEU 32 32 25087 1 . LYS 33 33 25087 1 . PHE 34 34 25087 1 . PHE 35 35 25087 1 . ASP 36 36 25087 1 . PHE 37 37 25087 1 . VAL 38 38 25087 1 . LYS 39 39 25087 1 . ASP 40 40 25087 1 . THR 41 41 25087 1 . CYS 42 42 25087 1 . PRO 43 43 25087 1 . TRP 44 44 25087 1 . PHE 45 45 25087 1 . PRO 46 46 25087 1 . GLN 47 47 25087 1 . GLU 48 48 25087 1 . GLY 49 49 25087 1 . THR 50 50 25087 1 . ILE 51 51 25087 1 . ASP 52 52 25087 1 . ILE 53 53 25087 1 . LYS 54 54 25087 1 . ARG 55 55 25087 1 . TRP 56 56 25087 1 . ARG 57 57 25087 1 . ARG 58 58 25087 1 . VAL 59 59 25087 1 . GLY 60 60 25087 1 . ASP 61 61 25087 1 . CYS 62 62 25087 1 . PHE 63 63 25087 1 . GLN 64 64 25087 1 . ASP 65 65 25087 1 . TYR 66 66 25087 1 . PHE 67 67 25087 1 . ASN 68 68 25087 1 . THR 69 69 25087 1 . PHE 70 70 25087 1 . GLY 71 71 25087 1 . PRO 72 72 25087 1 . GLU 73 73 25087 1 . LYS 74 74 25087 1 . VAL 75 75 25087 1 . PRO 76 76 25087 1 . VAL 77 77 25087 1 . THR 78 78 25087 1 . ALA 79 79 25087 1 . PHE 80 80 25087 1 . SER 81 81 25087 1 . TYR 82 82 25087 1 . TRP 83 83 25087 1 . ASN 84 84 25087 1 . LEU 85 85 25087 1 . ILE 86 86 25087 1 . LYS 87 87 25087 1 . GLU 88 88 25087 1 . LEU 89 89 25087 1 . ILE 90 90 25087 1 . ASP 91 91 25087 1 . LYS 92 92 25087 1 . LYS 93 93 25087 1 . GLU 94 94 25087 1 . VAL 95 95 25087 1 . ASN 96 96 25087 1 . PRO 97 97 25087 1 . GLN 98 98 25087 1 . VAL 99 99 25087 1 . MET 100 100 25087 1 . ALA 101 101 25087 1 . ALA 102 102 25087 1 . VAL 103 103 25087 1 . ALA 104 104 25087 1 . GLN 105 105 25087 1 . THR 106 106 25087 1 . GLU 107 107 25087 1 . GLU 108 108 25087 1 . ILE 109 109 25087 1 . LEU 110 110 25087 1 . LYS 111 111 25087 1 . SER 112 112 25087 1 . ASN 113 113 25087 1 . SER 114 114 25087 1 . GLN 115 115 25087 1 . THR 116 116 25087 1 . ASP 117 117 25087 1 . LEU 118 118 25087 1 . GLU 119 119 25087 1 . HIS 120 120 25087 1 . HIS 121 121 25087 1 . HIS 122 122 25087 1 . HIS 123 123 25087 1 . HIS 124 124 25087 1 . HIS 125 125 25087 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25087 _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 $MPMV_MA_Y28F_Y67F . 11855 virus . 'Mason-Pfizer monkey virus' 'Mason-Pfizer monkey virus' . . Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' . . . . . . . . . . . . . . . . . . . . . 25087 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 25087 _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 $MPMV_MA_Y28F_Y67F . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET-22b . . . . . . 25087 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 25087 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-04-24 _Chem_comp.Modified_date 2014-04-24 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 25087 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25087 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.385 25087 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.385 25087 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 25087 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 12.01 25087 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 25087 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 25087 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25087 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.748 . -0.653 . 3.744 . 6.963 -0.121 0.001 1 . 25087 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 6.160 . -1.704 . 3.756 . 6.889 -1.327 0.001 2 . 25087 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 6.245 . 0.389 . 4.316 . 8.165 0.477 -0.004 3 . 25087 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 8.095 . -0.440 . 3.061 . 5.707 0.712 0.002 4 . 25087 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.236 . -1.264 . 3.627 . 4.485 -0.209 0.001 5 . 25087 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 9.578 . -0.958 . 5.081 . 3.210 0.637 0.001 6 . 25087 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.773 . -1.735 . 5.635 . 1.988 -0.284 0.001 7 . 25087 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 11.280 . -1.093 . 6.928 . 0.712 0.561 0.001 8 . 25087 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 12.782 . -1.170 . 7.157 . -0.510 -0.359 0.000 9 . 25087 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 13.305 . 0.171 . 7.667 . -1.785 0.486 0.001 10 . 25087 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.245 . 0.011 . 8.840 . -3.007 -0.435 -0.000 11 . 25087 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.363 . 1.259 . 9.699 . -4.282 0.410 0.000 12 . 25087 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.566 . 2.088 . 9.297 . -5.504 -0.510 -0.001 13 . 25087 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.613 . 3.507 . 9.835 . -6.780 0.335 -0.000 14 . 25087 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 16.815 . 4.232 . 9.253 . -8.002 -0.586 -0.001 15 . 25087 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.118 . 5.584 . 9.876 . -9.277 0.260 -0.001 16 . 25087 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no yes . . . . 5.406 . 0.165 . 4.702 . 8.942 -0.098 -0.008 17 . 25087 MYR H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 7.983 . -0.697 . 1.997 . 5.688 1.340 0.892 18 . 25087 MYR H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 8.362 . 0.623 . 3.155 . 5.688 1.341 -0.888 19 . 25087 MYR H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 8.961 . -2.327 . 3.555 . 4.504 -0.837 -0.890 20 . 25087 MYR H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 10.131 . -1.075 . 3.017 . 4.504 -0.838 0.891 21 . 25087 MYR H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 9.801 . 0.116 . 5.162 . 3.191 1.265 0.891 22 . 25087 MYR H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 8.699 . -1.197 . 5.697 . 3.191 1.266 -0.888 23 . 25087 MYR H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 10.466 . -2.771 . 5.842 . 2.007 -0.913 -0.890 24 . 25087 MYR H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 11.582 . -1.734 . 4.890 . 2.007 -0.914 0.890 25 . 25087 MYR H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 10.994 . -0.031 . 6.913 . 0.693 1.190 0.891 26 . 25087 MYR H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 10.783 . -1.594 . 7.772 . 0.693 1.191 -0.889 27 . 25087 MYR H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 12.997 . -1.951 . 7.901 . -0.491 -0.988 -0.890 28 . 25087 MYR H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 13.282 . -1.419 . 6.209 . -0.491 -0.989 0.890 29 . 25087 MYR H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 13.842 . 0.675 . 6.850 . -1.804 1.114 0.891 30 . 25087 MYR H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 12.450 . 0.788 . 7.980 . -1.804 1.115 -0.889 31 . 25087 MYR H91 H91 H91 H91 . H . . N 0 . . . 1 no no . . . . 13.877 . -0.812 . 9.471 . -2.988 -1.063 -0.891 32 . 25087 MYR H92 H92 H92 H92 . H . . N 0 . . . 1 no no . . . . 15.244 . -0.241 . 8.454 . -2.988 -1.064 0.890 33 . 25087 MYR H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . 13.453 . 1.865 . 9.579 . -4.301 1.039 0.891 34 . 25087 MYR H102 H102 H102 H102 . H . . N 0 . . . 0 no no . . . . 14.468 . 0.961 . 10.753 . -4.301 1.040 -0.890 35 . 25087 MYR H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 16.467 . 1.565 . 9.650 . -5.485 -1.139 -0.891 36 . 25087 MYR H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 15.582 . 2.145 . 8.199 . -5.485 -1.140 0.889 37 . 25087 MYR H121 H121 H121 H121 . H . . N 0 . . . 0 no no . . . . 14.692 . 4.037 . 9.550 . -6.799 0.964 0.890 38 . 25087 MYR H122 H122 H122 H122 . H . . N 0 . . . 0 no no . . . . 15.697 . 3.480 . 10.931 . -6.799 0.965 -0.890 39 . 25087 MYR H131 H131 H131 H131 . H . . N 0 . . . 0 no no . . . . 17.698 . 3.590 . 9.387 . -7.983 -1.214 -0.891 40 . 25087 MYR H132 H132 H132 H132 . H . . N 0 . . . 0 no no . . . . 16.633 . 4.385 . 8.179 . -7.983 -1.215 0.889 41 . 25087 MYR H141 H141 H141 H141 . H . . N 0 . . . 0 no no . . . . 18.000 . 6.024 . 9.388 . -9.296 0.889 -0.890 42 . 25087 MYR H142 H142 H142 H142 . H . . N 0 . . . 0 no no . . . . 16.254 . 6.251 . 9.742 . -10.148 -0.396 -0.001 43 . 25087 MYR H143 H143 H143 H143 . H . . N 0 . . . 0 no no . . . . 17.319 . 5.456 . 10.950 . -9.296 0.888 0.890 44 . 25087 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 25087 MYR 2 . SING C1 O2 no N 2 . 25087 MYR 3 . SING C1 C2 no N 3 . 25087 MYR 4 . SING O2 HO2 no N 4 . 25087 MYR 5 . SING C2 C3 no N 5 . 25087 MYR 6 . SING C2 H21 no N 6 . 25087 MYR 7 . SING C2 H22 no N 7 . 25087 MYR 8 . SING C3 C4 no N 8 . 25087 MYR 9 . SING C3 H31 no N 9 . 25087 MYR 10 . SING C3 H32 no N 10 . 25087 MYR 11 . SING C4 C5 no N 11 . 25087 MYR 12 . SING C4 H41 no N 12 . 25087 MYR 13 . SING C4 H42 no N 13 . 25087 MYR 14 . SING C5 C6 no N 14 . 25087 MYR 15 . SING C5 H51 no N 15 . 25087 MYR 16 . SING C5 H52 no N 16 . 25087 MYR 17 . SING C6 C7 no N 17 . 25087 MYR 18 . SING C6 H61 no N 18 . 25087 MYR 19 . SING C6 H62 no N 19 . 25087 MYR 20 . SING C7 C8 no N 20 . 25087 MYR 21 . SING C7 H71 no N 21 . 25087 MYR 22 . SING C7 H72 no N 22 . 25087 MYR 23 . SING C8 C9 no N 23 . 25087 MYR 24 . SING C8 H81 no N 24 . 25087 MYR 25 . SING C8 H82 no N 25 . 25087 MYR 26 . SING C9 C10 no N 26 . 25087 MYR 27 . SING C9 H91 no N 27 . 25087 MYR 28 . SING C9 H92 no N 28 . 25087 MYR 29 . SING C10 C11 no N 29 . 25087 MYR 30 . SING C10 H101 no N 30 . 25087 MYR 31 . SING C10 H102 no N 31 . 25087 MYR 32 . SING C11 C12 no N 32 . 25087 MYR 33 . SING C11 H111 no N 33 . 25087 MYR 34 . SING C11 H112 no N 34 . 25087 MYR 35 . SING C12 C13 no N 35 . 25087 MYR 36 . SING C12 H121 no N 36 . 25087 MYR 37 . SING C12 H122 no N 37 . 25087 MYR 38 . SING C13 C14 no N 38 . 25087 MYR 39 . SING C13 H131 no N 39 . 25087 MYR 40 . SING C13 H132 no N 40 . 25087 MYR 41 . SING C14 H141 no N 41 . 25087 MYR 42 . SING C14 H142 no N 42 . 25087 MYR 43 . SING C14 H143 no N 43 . 25087 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25087 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the myristoyl residue is reverse-labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MPMV_MA_Y28F_Y67F '[U-99% 13C; U-99% 15N; NA-MYR]' . . 1 $MPMV_MA_Y28F_Y67F . . 1.0 . . mM . . . . 25087 1 2 NaCl 'natural abundance' . . . . . . 300.0 . . mM . . . . 25087 1 3 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 25087 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM . . . . 25087 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25087 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25087 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25087 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the myristoyl residue and all histidine residues are reverse-labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MPMV_MA_Y28F_Y67F '[U-99% 13C; U-99% 15N; NA-MYR,H]' . . 1 $MPMV_MA_Y28F_Y67F . . 1.0 . . mM . . . . 25087 2 2 NaCl 'natural abundance' . . . . . . 300.0 . . mM . . . . 25087 2 3 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 25087 2 4 'sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM . . . . 25087 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25087 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25087 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25087 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MPMV_MA_Y28F_Y67F '[U-99% 13C; U-99% 15N]' . . 1 $MPMV_MA_Y28F_Y67F . . 1.0 . . mM . . . . 25087 3 2 NaCl 'natural abundance' . . . . . . 300.0 . . mM . . . . 25087 3 3 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 25087 3 4 'sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM . . . . 25087 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25087 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25087 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25087 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aminoacid residues are partially reverse-labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MPMV_MA_Y28F_Y67F '[U-99% 13C]-MYR' . . 1 $MPMV_MA_Y28F_Y67F . . 1.0 . . mM . . . . 25087 4 2 NaCl 'natural abundance' . . . . . . 300.0 . . mM . . . . 25087 4 3 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 25087 4 4 'sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM . . . . 25087 4 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25087 4 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25087 4 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 25087 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.600 . M 25087 1 pH 6.000 . pH 25087 1 pressure 1.000 . atm 25087 1 temperature 298.000 . K 25087 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25087 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25087 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 25087 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 25087 _Software.ID 2 _Software.Name Topspin _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 25087 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra procession' 25087 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25087 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25087 1 stop_ save_ save_triple-resonance_(15N-13C-1H)_cryoprobe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode triple-resonance_(15N-13C-1H)_cryoprobe _NMR_spectrometer_probe.Entry_ID 25087 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCI CryoProbe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25087 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 25087 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 5 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 6 '2D CaCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 10 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 14 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 15 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 16 '3D HC(C)H-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 17 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 18 '3D HC(C)H-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 19 '3D (H)CCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 20 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 21 '3D (H)CCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 22 '2D 1H-13C HSQC aro' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 23 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 24 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 25 '2D (H)CB(CGCC-TOCSY)Har-phe' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 26 '2D (H)CB(CGCC-TOCSY)Har-trp' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 27 '2D (H)CB(CGCC-TOCSY)Har-tyr' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 1 $triple-resonance_(15N-13C-1H)_cryoprobe . . . . . . . . . . . . . . 25087 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25087 _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 N 15 DSS 'methyl protons' . . . . ppm 0.07 external indirect 0.101329118 . . . . . . . . . 25087 1 H 1 DSS 'methyl protons' . . . . ppm 0.05 external direct 1.000000000 . . . . . . . . . 25087 1 C 13 DSS 'methyl protons' . . . . ppm 2.70 external indirect 0.251449530 . . . . . . . . . 25087 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25087 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25087 1 3 '2D 1H-13C HSQC' 3 $sample_3 isotropic 25087 1 4 '2D 1H-13C HSQC' 4 $sample_4 isotropic 25087 1 5 '2D CON' 1 $sample_1 isotropic 25087 1 6 '2D CaCO' 1 $sample_1 isotropic 25087 1 7 '3D HNCO' 1 $sample_1 isotropic 25087 1 8 '3D HNCO' 3 $sample_3 isotropic 25087 1 9 '3D HNCA' 1 $sample_1 isotropic 25087 1 10 '3D HNCA' 3 $sample_3 isotropic 25087 1 11 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25087 1 12 '3D CBCA(CO)NH' 3 $sample_3 isotropic 25087 1 13 '3D HNCACB' 1 $sample_1 isotropic 25087 1 14 '3D HBHA(CBCACO)NH' 1 $sample_1 isotropic 25087 1 15 '3D H(CCCO)NH-TOCSY' 1 $sample_1 isotropic 25087 1 16 '3D HC(C)H-COSY' 4 $sample_4 isotropic 25087 1 17 '3D HC(C)H-TOCSY' 1 $sample_1 isotropic 25087 1 18 '3D HC(C)H-TOCSY' 4 $sample_4 isotropic 25087 1 19 '3D (H)CCH-COSY' 4 $sample_4 isotropic 25087 1 20 '3D (H)CCH-TOCSY' 1 $sample_1 isotropic 25087 1 21 '3D (H)CCH-TOCSY' 4 $sample_4 isotropic 25087 1 22 '2D 1H-13C HSQC aro' 2 $sample_2 isotropic 25087 1 23 '2D (HB)CB(CGCD)HD' 2 $sample_2 isotropic 25087 1 24 '2D (HB)CB(CGCDCE)HE' 2 $sample_2 isotropic 25087 1 25 '2D (H)CB(CGCC-TOCSY)Har-phe' 2 $sample_2 isotropic 25087 1 26 '2D (H)CB(CGCC-TOCSY)Har-trp' 2 $sample_2 isotropic 25087 1 27 '2D (H)CB(CGCC-TOCSY)Har-tyr' 2 $sample_2 isotropic 25087 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25087 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 MYR H103 H 1 0.722 0.003 . 2 . . . . 1 MYR H103 . 25087 1 2 . 1 1 1 1 MYR H102 H 1 0.722 0.003 . 2 . . . . 1 MYR H102 . 25087 1 3 . 1 1 1 1 MYR H113 H 1 0.947 0.006 . 2 . . . . 1 MYR H113 . 25087 1 4 . 1 1 1 1 MYR H112 H 1 0.947 0.006 . 2 . . . . 1 MYR H112 . 25087 1 5 . 1 1 1 1 MYR H123 H 1 1.008 0.004 . 2 . . . . 1 MYR H123 . 25087 1 6 . 1 1 1 1 MYR H122 H 1 0.953 0.001 . 2 . . . . 1 MYR H122 . 25087 1 7 . 1 1 1 1 MYR H133 H 1 1.077 0.003 . 2 . . . . 1 MYR H133 . 25087 1 8 . 1 1 1 1 MYR H132 H 1 1.077 0.003 . 2 . . . . 1 MYR H132 . 25087 1 9 . 1 1 1 1 MYR H143 H 1 0.646 0.003 . 1 . . . . 1 MYR H143 . 25087 1 10 . 1 1 1 1 MYR H142 H 1 0.646 0.003 . 1 . . . . 1 MYR H142 . 25087 1 11 . 1 1 1 1 MYR H143 H 1 0.646 0.003 . 1 . . . . 1 MYR H143 . 25087 1 12 . 1 1 1 1 MYR H23 H 1 2.685 0.003 . 2 . . . . 1 MYR H23 . 25087 1 13 . 1 1 1 1 MYR H22 H 1 2.189 0.003 . 2 . . . . 1 MYR H22 . 25087 1 14 . 1 1 1 1 MYR H33 H 1 1.759 0.001 . 2 . . . . 1 MYR H33 . 25087 1 15 . 1 1 1 1 MYR H32 H 1 1.294 0.003 . 2 . . . . 1 MYR H32 . 25087 1 16 . 1 1 1 1 MYR H43 H 1 1.159 0.001 . 2 . . . . 1 MYR H43 . 25087 1 17 . 1 1 1 1 MYR H42 H 1 1.159 0.001 . 2 . . . . 1 MYR H42 . 25087 1 18 . 1 1 1 1 MYR H53 H 1 1.292 0.008 . 2 . . . . 1 MYR H53 . 25087 1 19 . 1 1 1 1 MYR H52 H 1 1.008 0.003 . 2 . . . . 1 MYR H52 . 25087 1 20 . 1 1 1 1 MYR H63 H 1 0.791 0.004 . 2 . . . . 1 MYR H63 . 25087 1 21 . 1 1 1 1 MYR H62 H 1 0.791 0.004 . 2 . . . . 1 MYR H62 . 25087 1 22 . 1 1 1 1 MYR H93 H 1 0.648 0.005 . 2 . . . . 1 MYR H93 . 25087 1 23 . 1 1 1 1 MYR H92 H 1 0.464 0.003 . 2 . . . . 1 MYR H92 . 25087 1 24 . 1 1 1 1 MYR C1 C 13 178.319 0.030 . 1 . . . . 1 MYR C1 . 25087 1 25 . 1 1 1 1 MYR C10 C 13 32.966 0.030 . 1 . . . . 1 MYR C10 . 25087 1 26 . 1 1 1 1 MYR C11 C 13 32.774 0.064 . 1 . . . . 1 MYR C11 . 25087 1 27 . 1 1 1 1 MYR C12 C 13 35.062 0.028 . 1 . . . . 1 MYR C12 . 25087 1 28 . 1 1 1 1 MYR C13 C 13 25.909 0.045 . 1 . . . . 1 MYR C13 . 25087 1 29 . 1 1 1 1 MYR C14 C 13 16.720 0.033 . 1 . . . . 1 MYR C14 . 25087 1 30 . 1 1 1 1 MYR C2 C 13 37.647 0.046 . 1 . . . . 1 MYR C2 . 25087 1 31 . 1 1 1 1 MYR C3 C 13 27.442 0.030 . 1 . . . . 1 MYR C3 . 25087 1 32 . 1 1 1 1 MYR C4 C 13 31.275 0.063 . 1 . . . . 1 MYR C4 . 25087 1 33 . 1 1 1 1 MYR C5 C 13 32.601 0.021 . 1 . . . . 1 MYR C5 . 25087 1 34 . 1 1 1 1 MYR C6 C 13 32.633 0.023 . 1 . . . . 1 MYR C6 . 25087 1 35 . 1 1 1 1 MYR C9 C 13 32.278 0.045 . 1 . . . . 1 MYR C9 . 25087 1 36 . 1 1 2 2 GLY H H 1 7.870 0.002 . 1 . . . . 2 GLY H . 25087 1 37 . 1 1 2 2 GLY HA2 H 1 4.213 0.006 . 2 . . . . 2 GLY HA2 . 25087 1 38 . 1 1 2 2 GLY HA3 H 1 3.807 0.004 . 2 . . . . 2 GLY HA3 . 25087 1 39 . 1 1 2 2 GLY C C 13 176.955 0.002 . 1 . . . . 2 GLY C . 25087 1 40 . 1 1 2 2 GLY CA C 13 48.882 0.029 . 1 . . . . 2 GLY CA . 25087 1 41 . 1 1 2 2 GLY N N 15 116.789 0.012 . 1 . . . . 2 GLY N . 25087 1 42 . 1 1 3 3 GLN H H 1 9.342 0.001 . 1 . . . . 3 GLN H . 25087 1 43 . 1 1 3 3 GLN HA H 1 3.973 0.007 . 1 . . . . 3 GLN HA . 25087 1 44 . 1 1 3 3 GLN HB2 H 1 2.083 0.003 . 2 . . . . 3 GLN HB2 . 25087 1 45 . 1 1 3 3 GLN HB3 H 1 2.080 0.007 . 2 . . . . 3 GLN HB3 . 25087 1 46 . 1 1 3 3 GLN HG2 H 1 2.529 0.003 . 1 . . . . 3 GLN HG2 . 25087 1 47 . 1 1 3 3 GLN HG3 H 1 2.529 0.003 . 1 . . . . 3 GLN HG3 . 25087 1 48 . 1 1 3 3 GLN HE21 H 1 7.815 0.002 . 2 . . . . 3 GLN HE21 . 25087 1 49 . 1 1 3 3 GLN HE22 H 1 6.803 0.001 . 2 . . . . 3 GLN HE22 . 25087 1 50 . 1 1 3 3 GLN C C 13 178.963 0.008 . 1 . . . . 3 GLN C . 25087 1 51 . 1 1 3 3 GLN CA C 13 59.030 0.051 . 1 . . . . 3 GLN CA . 25087 1 52 . 1 1 3 3 GLN CB C 13 28.145 0.057 . 1 . . . . 3 GLN CB . 25087 1 53 . 1 1 3 3 GLN CG C 13 33.782 0.031 . 1 . . . . 3 GLN CG . 25087 1 54 . 1 1 3 3 GLN CD C 13 180.203 0.009 . 1 . . . . 3 GLN CD . 25087 1 55 . 1 1 3 3 GLN N N 15 122.088 0.008 . 1 . . . . 3 GLN N . 25087 1 56 . 1 1 3 3 GLN NE2 N 15 113.075 0.013 . 1 . . . . 3 GLN NE2 . 25087 1 57 . 1 1 4 4 GLU H H 1 8.545 0.003 . 1 . . . . 4 GLU H . 25087 1 58 . 1 1 4 4 GLU HA H 1 4.064 0.008 . 1 . . . . 4 GLU HA . 25087 1 59 . 1 1 4 4 GLU HB2 H 1 2.105 0.003 . 2 . . . . 4 GLU HB2 . 25087 1 60 . 1 1 4 4 GLU HB3 H 1 1.815 0.003 . 2 . . . . 4 GLU HB3 . 25087 1 61 . 1 1 4 4 GLU HG2 H 1 2.394 0.001 . 2 . . . . 4 GLU HG2 . 25087 1 62 . 1 1 4 4 GLU HG3 H 1 2.086 0.002 . 2 . . . . 4 GLU HG3 . 25087 1 63 . 1 1 4 4 GLU C C 13 179.643 0.002 . 1 . . . . 4 GLU C . 25087 1 64 . 1 1 4 4 GLU CA C 13 59.784 0.035 . 1 . . . . 4 GLU CA . 25087 1 65 . 1 1 4 4 GLU CB C 13 28.978 0.026 . 1 . . . . 4 GLU CB . 25087 1 66 . 1 1 4 4 GLU CG C 13 36.666 0.021 . 1 . . . . 4 GLU CG . 25087 1 67 . 1 1 4 4 GLU N N 15 119.583 0.009 . 1 . . . . 4 GLU N . 25087 1 68 . 1 1 5 5 LEU H H 1 8.305 0.003 . 1 . . . . 5 LEU H . 25087 1 69 . 1 1 5 5 LEU HA H 1 3.999 0.009 . 1 . . . . 5 LEU HA . 25087 1 70 . 1 1 5 5 LEU HB2 H 1 1.954 0.004 . 2 . . . . 5 LEU HB2 . 25087 1 71 . 1 1 5 5 LEU HB3 H 1 1.693 0.001 . 2 . . . . 5 LEU HB3 . 25087 1 72 . 1 1 5 5 LEU HG H 1 1.933 0.001 . 1 . . . . 5 LEU HG . 25087 1 73 . 1 1 5 5 LEU HD11 H 1 0.771 0.002 . 2 . . . . 5 LEU HD1 . 25087 1 74 . 1 1 5 5 LEU HD12 H 1 0.771 0.002 . 2 . . . . 5 LEU HD1 . 25087 1 75 . 1 1 5 5 LEU HD13 H 1 0.771 0.002 . 2 . . . . 5 LEU HD1 . 25087 1 76 . 1 1 5 5 LEU HD21 H 1 0.428 0.001 . 2 . . . . 5 LEU HD2 . 25087 1 77 . 1 1 5 5 LEU HD22 H 1 0.428 0.001 . 2 . . . . 5 LEU HD2 . 25087 1 78 . 1 1 5 5 LEU HD23 H 1 0.428 0.001 . 2 . . . . 5 LEU HD2 . 25087 1 79 . 1 1 5 5 LEU C C 13 178.617 0.003 . 1 . . . . 5 LEU C . 25087 1 80 . 1 1 5 5 LEU CA C 13 58.692 0.016 . 1 . . . . 5 LEU CA . 25087 1 81 . 1 1 5 5 LEU CB C 13 41.041 0.042 . 1 . . . . 5 LEU CB . 25087 1 82 . 1 1 5 5 LEU CG C 13 26.897 0.010 . 1 . . . . 5 LEU CG . 25087 1 83 . 1 1 5 5 LEU CD1 C 13 26.063 0.033 . 2 . . . . 5 LEU CD1 . 25087 1 84 . 1 1 5 5 LEU CD2 C 13 21.850 0.021 . 2 . . . . 5 LEU CD2 . 25087 1 85 . 1 1 5 5 LEU N N 15 119.585 0.014 . 1 . . . . 5 LEU N . 25087 1 86 . 1 1 6 6 SER H H 1 8.321 0.003 . 1 . . . . 6 SER H . 25087 1 87 . 1 1 6 6 SER HA H 1 4.156 0.001 . 1 . . . . 6 SER HA . 25087 1 88 . 1 1 6 6 SER HB2 H 1 4.167 0.001 . 2 . . . . 6 SER HB2 . 25087 1 89 . 1 1 6 6 SER HB3 H 1 4.120 0.003 . 2 . . . . 6 SER HB3 . 25087 1 90 . 1 1 6 6 SER C C 13 174.607 0.030 . 1 . . . . 6 SER C . 25087 1 91 . 1 1 6 6 SER CA C 13 60.724 0.042 . 1 . . . . 6 SER CA . 25087 1 92 . 1 1 6 6 SER CB C 13 63.430 0.029 . 1 . . . . 6 SER CB . 25087 1 93 . 1 1 6 6 SER N N 15 109.573 0.011 . 1 . . . . 6 SER N . 25087 1 94 . 1 1 7 7 GLN H H 1 7.232 0.002 . 1 . . . . 7 GLN H . 25087 1 95 . 1 1 7 7 GLN HA H 1 4.262 0.004 . 1 . . . . 7 GLN HA . 25087 1 96 . 1 1 7 7 GLN HB2 H 1 2.162 0.001 . 2 . . . . 7 GLN HB2 . 25087 1 97 . 1 1 7 7 GLN HB3 H 1 1.857 0.003 . 2 . . . . 7 GLN HB3 . 25087 1 98 . 1 1 7 7 GLN HG2 H 1 2.463 0.001 . 1 . . . . 7 GLN HG2 . 25087 1 99 . 1 1 7 7 GLN HG3 H 1 2.463 0.001 . 1 . . . . 7 GLN HG3 . 25087 1 100 . 1 1 7 7 GLN HE21 H 1 7.349 0.001 . 2 . . . . 7 GLN HE21 . 25087 1 101 . 1 1 7 7 GLN HE22 H 1 6.853 0.001 . 2 . . . . 7 GLN HE22 . 25087 1 102 . 1 1 7 7 GLN C C 13 175.271 0.002 . 1 . . . . 7 GLN C . 25087 1 103 . 1 1 7 7 GLN CA C 13 56.158 0.045 . 1 . . . . 7 GLN CA . 25087 1 104 . 1 1 7 7 GLN CB C 13 28.746 0.077 . 1 . . . . 7 GLN CB . 25087 1 105 . 1 1 7 7 GLN CG C 13 33.784 0.032 . 1 . . . . 7 GLN CG . 25087 1 106 . 1 1 7 7 GLN CD C 13 180.351 0.030 . 1 . . . . 7 GLN CD . 25087 1 107 . 1 1 7 7 GLN N N 15 117.807 0.005 . 1 . . . . 7 GLN N . 25087 1 108 . 1 1 7 7 GLN NE2 N 15 112.514 0.020 . 1 . . . . 7 GLN NE2 . 25087 1 109 . 1 1 8 8 HIS H H 1 7.703 0.002 . 1 . . . . 8 HIS H . 25087 1 110 . 1 1 8 8 HIS HA H 1 4.756 0.001 . 1 . . . . 8 HIS HA . 25087 1 111 . 1 1 8 8 HIS HB2 H 1 3.539 0.003 . 2 . . . . 8 HIS HB2 . 25087 1 112 . 1 1 8 8 HIS HB3 H 1 3.538 0.004 . 2 . . . . 8 HIS HB3 . 25087 1 113 . 1 1 8 8 HIS C C 13 174.797 0.005 . 1 . . . . 8 HIS C . 25087 1 114 . 1 1 8 8 HIS CA C 13 54.626 0.031 . 1 . . . . 8 HIS CA . 25087 1 115 . 1 1 8 8 HIS CB C 13 29.462 0.056 . 1 . . . . 8 HIS CB . 25087 1 116 . 1 1 8 8 HIS N N 15 119.672 0.010 . 1 . . . . 8 HIS N . 25087 1 117 . 1 1 9 9 GLU H H 1 8.942 0.003 . 1 . . . . 9 GLU H . 25087 1 118 . 1 1 9 9 GLU HA H 1 4.019 0.008 . 1 . . . . 9 GLU HA . 25087 1 119 . 1 1 9 9 GLU HB2 H 1 2.130 0.001 . 2 . . . . 9 GLU HB2 . 25087 1 120 . 1 1 9 9 GLU HB3 H 1 2.126 0.007 . 2 . . . . 9 GLU HB3 . 25087 1 121 . 1 1 9 9 GLU HG2 H 1 2.403 0.001 . 2 . . . . 9 GLU HG2 . 25087 1 122 . 1 1 9 9 GLU HG3 H 1 2.331 0.002 . 2 . . . . 9 GLU HG3 . 25087 1 123 . 1 1 9 9 GLU C C 13 178.812 0.010 . 1 . . . . 9 GLU C . 25087 1 124 . 1 1 9 9 GLU CA C 13 60.847 0.044 . 1 . . . . 9 GLU CA . 25087 1 125 . 1 1 9 9 GLU CB C 13 29.631 0.057 . 1 . . . . 9 GLU CB . 25087 1 126 . 1 1 9 9 GLU CG C 13 36.272 0.021 . 1 . . . . 9 GLU CG . 25087 1 127 . 1 1 9 9 GLU N N 15 126.354 0.015 . 1 . . . . 9 GLU N . 25087 1 128 . 1 1 10 10 ARG H H 1 8.954 0.002 . 1 . . . . 10 ARG H . 25087 1 129 . 1 1 10 10 ARG HA H 1 4.198 0.004 . 1 . . . . 10 ARG HA . 25087 1 130 . 1 1 10 10 ARG HB2 H 1 2.023 0.003 . 2 . . . . 10 ARG HB2 . 25087 1 131 . 1 1 10 10 ARG HB3 H 1 1.995 0.003 . 2 . . . . 10 ARG HB3 . 25087 1 132 . 1 1 10 10 ARG HG2 H 1 1.820 0.004 . 2 . . . . 10 ARG HG2 . 25087 1 133 . 1 1 10 10 ARG HG3 H 1 1.742 0.001 . 2 . . . . 10 ARG HG3 . 25087 1 134 . 1 1 10 10 ARG HD2 H 1 3.275 0.003 . 1 . . . . 10 ARG HD2 . 25087 1 135 . 1 1 10 10 ARG HD3 H 1 3.275 0.003 . 1 . . . . 10 ARG HD3 . 25087 1 136 . 1 1 10 10 ARG HE H 1 7.341 0.001 . 1 . . . . 10 ARG HE . 25087 1 137 . 1 1 10 10 ARG C C 13 179.056 0.030 . 1 . . . . 10 ARG C . 25087 1 138 . 1 1 10 10 ARG CA C 13 58.984 0.021 . 1 . . . . 10 ARG CA . 25087 1 139 . 1 1 10 10 ARG CB C 13 29.522 0.087 . 1 . . . . 10 ARG CB . 25087 1 140 . 1 1 10 10 ARG CG C 13 27.557 0.044 . 1 . . . . 10 ARG CG . 25087 1 141 . 1 1 10 10 ARG CD C 13 43.312 0.020 . 1 . . . . 10 ARG CD . 25087 1 142 . 1 1 10 10 ARG CZ C 13 159.634 0.002 . 1 . . . . 10 ARG CZ . 25087 1 143 . 1 1 10 10 ARG N N 15 119.229 0.016 . 1 . . . . 10 ARG N . 25087 1 144 . 1 1 10 10 ARG NE N 15 84.823 0.007 . 1 . . . . 10 ARG NE . 25087 1 145 . 1 1 11 11 TYR H H 1 7.588 0.002 . 1 . . . . 11 TYR H . 25087 1 146 . 1 1 11 11 TYR HA H 1 4.304 0.003 . 1 . . . . 11 TYR HA . 25087 1 147 . 1 1 11 11 TYR HB2 H 1 3.375 0.003 . 2 . . . . 11 TYR HB2 . 25087 1 148 . 1 1 11 11 TYR HB3 H 1 3.186 0.001 . 2 . . . . 11 TYR HB3 . 25087 1 149 . 1 1 11 11 TYR HD1 H 1 7.026 0.004 . 3 . . . . 11 TYR HD1 . 25087 1 150 . 1 1 11 11 TYR HD2 H 1 7.026 0.004 . 3 . . . . 11 TYR HD2 . 25087 1 151 . 1 1 11 11 TYR HE1 H 1 6.788 0.003 . 3 . . . . 11 TYR HE1 . 25087 1 152 . 1 1 11 11 TYR HE2 H 1 6.788 0.003 . 3 . . . . 11 TYR HE2 . 25087 1 153 . 1 1 11 11 TYR C C 13 176.781 0.001 . 1 . . . . 11 TYR C . 25087 1 154 . 1 1 11 11 TYR CA C 13 61.403 0.056 . 1 . . . . 11 TYR CA . 25087 1 155 . 1 1 11 11 TYR CB C 13 38.212 0.060 . 1 . . . . 11 TYR CB . 25087 1 156 . 1 1 11 11 TYR CD1 C 13 132.754 0.033 . 1 . . . . 11 TYR CD1 . 25087 1 157 . 1 1 11 11 TYR CD2 C 13 132.754 0.033 . 1 . . . . 11 TYR CD2 . 25087 1 158 . 1 1 11 11 TYR CE1 C 13 118.639 0.046 . 1 . . . . 11 TYR CE1 . 25087 1 159 . 1 1 11 11 TYR CE2 C 13 118.639 0.046 . 1 . . . . 11 TYR CE2 . 25087 1 160 . 1 1 11 11 TYR N N 15 121.364 0.008 . 1 . . . . 11 TYR N . 25087 1 161 . 1 1 12 12 VAL H H 1 8.209 0.001 . 1 . . . . 12 VAL H . 25087 1 162 . 1 1 12 12 VAL HA H 1 3.248 0.003 . 1 . . . . 12 VAL HA . 25087 1 163 . 1 1 12 12 VAL HB H 1 2.240 0.010 . 1 . . . . 12 VAL HB . 25087 1 164 . 1 1 12 12 VAL HG11 H 1 0.814 0.003 . 2 . . . . 12 VAL HG1 . 25087 1 165 . 1 1 12 12 VAL HG12 H 1 0.814 0.003 . 2 . . . . 12 VAL HG1 . 25087 1 166 . 1 1 12 12 VAL HG13 H 1 0.814 0.003 . 2 . . . . 12 VAL HG1 . 25087 1 167 . 1 1 12 12 VAL HG21 H 1 1.303 0.001 . 2 . . . . 12 VAL HG2 . 25087 1 168 . 1 1 12 12 VAL HG22 H 1 1.303 0.001 . 2 . . . . 12 VAL HG2 . 25087 1 169 . 1 1 12 12 VAL HG23 H 1 1.303 0.001 . 2 . . . . 12 VAL HG2 . 25087 1 170 . 1 1 12 12 VAL C C 13 177.596 0.030 . 1 . . . . 12 VAL C . 25087 1 171 . 1 1 12 12 VAL CA C 13 67.532 0.031 . 1 . . . . 12 VAL CA . 25087 1 172 . 1 1 12 12 VAL CB C 13 31.526 0.087 . 1 . . . . 12 VAL CB . 25087 1 173 . 1 1 12 12 VAL CG1 C 13 21.457 0.020 . 2 . . . . 12 VAL CG1 . 25087 1 174 . 1 1 12 12 VAL CG2 C 13 23.560 0.025 . 2 . . . . 12 VAL CG2 . 25087 1 175 . 1 1 12 12 VAL N N 15 119.190 0.023 . 1 . . . . 12 VAL N . 25087 1 176 . 1 1 13 13 GLU H H 1 7.474 0.002 . 1 . . . . 13 GLU H . 25087 1 177 . 1 1 13 13 GLU HA H 1 3.892 0.008 . 1 . . . . 13 GLU HA . 25087 1 178 . 1 1 13 13 GLU HB2 H 1 2.059 0.003 . 1 . . . . 13 GLU HB2 . 25087 1 179 . 1 1 13 13 GLU HB3 H 1 2.059 0.003 . 1 . . . . 13 GLU HB3 . 25087 1 180 . 1 1 13 13 GLU HG2 H 1 2.320 0.003 . 1 . . . . 13 GLU HG2 . 25087 1 181 . 1 1 13 13 GLU HG3 H 1 2.320 0.003 . 1 . . . . 13 GLU HG3 . 25087 1 182 . 1 1 13 13 GLU C C 13 178.846 0.004 . 1 . . . . 13 GLU C . 25087 1 183 . 1 1 13 13 GLU CA C 13 59.297 0.086 . 1 . . . . 13 GLU CA . 25087 1 184 . 1 1 13 13 GLU CB C 13 29.052 0.017 . 1 . . . . 13 GLU CB . 25087 1 185 . 1 1 13 13 GLU CG C 13 35.779 0.030 . 1 . . . . 13 GLU CG . 25087 1 186 . 1 1 13 13 GLU N N 15 116.968 0.012 . 1 . . . . 13 GLU N . 25087 1 187 . 1 1 14 14 GLN H H 1 7.842 0.001 . 1 . . . . 14 GLN H . 25087 1 188 . 1 1 14 14 GLN HA H 1 3.980 0.001 . 1 . . . . 14 GLN HA . 25087 1 189 . 1 1 14 14 GLN HB2 H 1 2.057 0.001 . 1 . . . . 14 GLN HB2 . 25087 1 190 . 1 1 14 14 GLN HB3 H 1 2.057 0.003 . 1 . . . . 14 GLN HB3 . 25087 1 191 . 1 1 14 14 GLN HG2 H 1 2.247 0.003 . 2 . . . . 14 GLN HG2 . 25087 1 192 . 1 1 14 14 GLN HG3 H 1 2.205 0.001 . 2 . . . . 14 GLN HG3 . 25087 1 193 . 1 1 14 14 GLN HE21 H 1 7.205 0.003 . 2 . . . . 14 GLN HE21 . 25087 1 194 . 1 1 14 14 GLN HE22 H 1 7.172 0.001 . 2 . . . . 14 GLN HE22 . 25087 1 195 . 1 1 14 14 GLN C C 13 179.064 0.001 . 1 . . . . 14 GLN C . 25087 1 196 . 1 1 14 14 GLN CA C 13 58.452 0.024 . 1 . . . . 14 GLN CA . 25087 1 197 . 1 1 14 14 GLN CB C 13 28.702 0.052 . 1 . . . . 14 GLN CB . 25087 1 198 . 1 1 14 14 GLN CG C 13 34.080 0.009 . 1 . . . . 14 GLN CG . 25087 1 199 . 1 1 14 14 GLN CD C 13 179.139 0.004 . 1 . . . . 14 GLN CD . 25087 1 200 . 1 1 14 14 GLN N N 15 120.468 0.017 . 1 . . . . 14 GLN N . 25087 1 201 . 1 1 14 14 GLN NE2 N 15 112.967 0.001 . 1 . . . . 14 GLN NE2 . 25087 1 202 . 1 1 15 15 LEU H H 1 8.951 0.003 . 1 . . . . 15 LEU H . 25087 1 203 . 1 1 15 15 LEU HA H 1 3.894 0.003 . 1 . . . . 15 LEU HA . 25087 1 204 . 1 1 15 15 LEU HB2 H 1 1.785 0.006 . 2 . . . . 15 LEU HB2 . 25087 1 205 . 1 1 15 15 LEU HB3 H 1 0.987 0.005 . 2 . . . . 15 LEU HB3 . 25087 1 206 . 1 1 15 15 LEU HG H 1 1.587 0.001 . 1 . . . . 15 LEU HG . 25087 1 207 . 1 1 15 15 LEU HD11 H 1 1.186 0.002 . 2 . . . . 15 LEU HD1 . 25087 1 208 . 1 1 15 15 LEU HD12 H 1 1.186 0.002 . 2 . . . . 15 LEU HD1 . 25087 1 209 . 1 1 15 15 LEU HD13 H 1 1.186 0.002 . 2 . . . . 15 LEU HD1 . 25087 1 210 . 1 1 15 15 LEU HD21 H 1 0.915 0.002 . 2 . . . . 15 LEU HD2 . 25087 1 211 . 1 1 15 15 LEU HD22 H 1 0.915 0.002 . 2 . . . . 15 LEU HD2 . 25087 1 212 . 1 1 15 15 LEU HD23 H 1 0.915 0.002 . 2 . . . . 15 LEU HD2 . 25087 1 213 . 1 1 15 15 LEU C C 13 178.603 0.002 . 1 . . . . 15 LEU C . 25087 1 214 . 1 1 15 15 LEU CA C 13 58.031 0.024 . 1 . . . . 15 LEU CA . 25087 1 215 . 1 1 15 15 LEU CB C 13 40.747 0.035 . 1 . . . . 15 LEU CB . 25087 1 216 . 1 1 15 15 LEU CG C 13 27.324 0.031 . 1 . . . . 15 LEU CG . 25087 1 217 . 1 1 15 15 LEU CD1 C 13 25.367 0.041 . 2 . . . . 15 LEU CD1 . 25087 1 218 . 1 1 15 15 LEU CD2 C 13 22.558 0.060 . 2 . . . . 15 LEU CD2 . 25087 1 219 . 1 1 15 15 LEU N N 15 123.256 0.016 . 1 . . . . 15 LEU N . 25087 1 220 . 1 1 16 16 LYS H H 1 8.408 0.002 . 1 . . . . 16 LYS H . 25087 1 221 . 1 1 16 16 LYS HA H 1 3.783 0.003 . 1 . . . . 16 LYS HA . 25087 1 222 . 1 1 16 16 LYS HB2 H 1 1.770 0.005 . 2 . . . . 16 LYS HB2 . 25087 1 223 . 1 1 16 16 LYS HB3 H 1 1.652 0.003 . 2 . . . . 16 LYS HB3 . 25087 1 224 . 1 1 16 16 LYS HG2 H 1 1.114 0.003 . 2 . . . . 16 LYS HG2 . 25087 1 225 . 1 1 16 16 LYS HG3 H 1 0.784 0.004 . 2 . . . . 16 LYS HG3 . 25087 1 226 . 1 1 16 16 LYS HD2 H 1 1.306 0.002 . 2 . . . . 16 LYS HD2 . 25087 1 227 . 1 1 16 16 LYS HD3 H 1 1.198 0.002 . 2 . . . . 16 LYS HD3 . 25087 1 228 . 1 1 16 16 LYS HE2 H 1 2.128 0.003 . 2 . . . . 16 LYS HE2 . 25087 1 229 . 1 1 16 16 LYS HE3 H 1 1.861 0.007 . 2 . . . . 16 LYS HE3 . 25087 1 230 . 1 1 16 16 LYS C C 13 180.159 0.013 . 1 . . . . 16 LYS C . 25087 1 231 . 1 1 16 16 LYS CA C 13 61.119 0.034 . 1 . . . . 16 LYS CA . 25087 1 232 . 1 1 16 16 LYS CB C 13 32.539 0.062 . 1 . . . . 16 LYS CB . 25087 1 233 . 1 1 16 16 LYS CG C 13 26.985 0.070 . 1 . . . . 16 LYS CG . 25087 1 234 . 1 1 16 16 LYS CD C 13 29.787 0.033 . 1 . . . . 16 LYS CD . 25087 1 235 . 1 1 16 16 LYS CE C 13 41.372 0.036 . 1 . . . . 16 LYS CE . 25087 1 236 . 1 1 16 16 LYS N N 15 118.324 0.029 . 1 . . . . 16 LYS N . 25087 1 237 . 1 1 17 17 GLN H H 1 7.983 0.001 . 1 . . . . 17 GLN H . 25087 1 238 . 1 1 17 17 GLN HA H 1 4.012 0.003 . 1 . . . . 17 GLN HA . 25087 1 239 . 1 1 17 17 GLN HB2 H 1 2.163 0.003 . 2 . . . . 17 GLN HB2 . 25087 1 240 . 1 1 17 17 GLN HB3 H 1 2.088 0.003 . 2 . . . . 17 GLN HB3 . 25087 1 241 . 1 1 17 17 GLN HG2 H 1 2.433 0.003 . 1 . . . . 17 GLN HG2 . 25087 1 242 . 1 1 17 17 GLN HG3 H 1 2.433 0.003 . 1 . . . . 17 GLN HG3 . 25087 1 243 . 1 1 17 17 GLN HE21 H 1 7.283 0.002 . 2 . . . . 17 GLN HE21 . 25087 1 244 . 1 1 17 17 GLN HE22 H 1 6.571 0.001 . 2 . . . . 17 GLN HE22 . 25087 1 245 . 1 1 17 17 GLN C C 13 178.666 0.030 . 1 . . . . 17 GLN C . 25087 1 246 . 1 1 17 17 GLN CA C 13 58.719 0.020 . 1 . . . . 17 GLN CA . 25087 1 247 . 1 1 17 17 GLN CB C 13 27.988 0.018 . 1 . . . . 17 GLN CB . 25087 1 248 . 1 1 17 17 GLN CG C 13 33.681 0.030 . 1 . . . . 17 GLN CG . 25087 1 249 . 1 1 17 17 GLN CD C 13 179.623 0.012 . 1 . . . . 17 GLN CD . 25087 1 250 . 1 1 17 17 GLN N N 15 118.357 0.015 . 1 . . . . 17 GLN N . 25087 1 251 . 1 1 17 17 GLN NE2 N 15 112.208 0.006 . 1 . . . . 17 GLN NE2 . 25087 1 252 . 1 1 18 18 ALA H H 1 8.168 0.002 . 1 . . . . 18 ALA H . 25087 1 253 . 1 1 18 18 ALA HA H 1 3.882 0.004 . 1 . . . . 18 ALA HA . 25087 1 254 . 1 1 18 18 ALA HB1 H 1 1.414 0.004 . 1 . . . . 18 ALA HB . 25087 1 255 . 1 1 18 18 ALA HB2 H 1 1.414 0.004 . 1 . . . . 18 ALA HB . 25087 1 256 . 1 1 18 18 ALA HB3 H 1 1.414 0.004 . 1 . . . . 18 ALA HB . 25087 1 257 . 1 1 18 18 ALA C C 13 179.560 0.006 . 1 . . . . 18 ALA C . 25087 1 258 . 1 1 18 18 ALA CA C 13 55.262 0.023 . 1 . . . . 18 ALA CA . 25087 1 259 . 1 1 18 18 ALA CB C 13 17.790 0.057 . 1 . . . . 18 ALA CB . 25087 1 260 . 1 1 18 18 ALA N N 15 122.560 0.017 . 1 . . . . 18 ALA N . 25087 1 261 . 1 1 19 19 LEU H H 1 8.312 0.003 . 1 . . . . 19 LEU H . 25087 1 262 . 1 1 19 19 LEU HA H 1 3.566 0.003 . 1 . . . . 19 LEU HA . 25087 1 263 . 1 1 19 19 LEU HB2 H 1 1.744 0.004 . 2 . . . . 19 LEU HB2 . 25087 1 264 . 1 1 19 19 LEU HB3 H 1 1.266 0.004 . 2 . . . . 19 LEU HB3 . 25087 1 265 . 1 1 19 19 LEU HG H 1 1.164 0.002 . 1 . . . . 19 LEU HG . 25087 1 266 . 1 1 19 19 LEU HD11 H 1 0.686 0.001 . 2 . . . . 19 LEU HD1 . 25087 1 267 . 1 1 19 19 LEU HD12 H 1 0.686 0.001 . 2 . . . . 19 LEU HD1 . 25087 1 268 . 1 1 19 19 LEU HD13 H 1 0.686 0.001 . 2 . . . . 19 LEU HD1 . 25087 1 269 . 1 1 19 19 LEU HD21 H 1 0.858 0.002 . 2 . . . . 19 LEU HD2 . 25087 1 270 . 1 1 19 19 LEU HD22 H 1 0.858 0.002 . 2 . . . . 19 LEU HD2 . 25087 1 271 . 1 1 19 19 LEU HD23 H 1 0.858 0.002 . 2 . . . . 19 LEU HD2 . 25087 1 272 . 1 1 19 19 LEU C C 13 179.367 0.006 . 1 . . . . 19 LEU C . 25087 1 273 . 1 1 19 19 LEU CA C 13 58.180 0.039 . 1 . . . . 19 LEU CA . 25087 1 274 . 1 1 19 19 LEU CB C 13 40.804 0.043 . 1 . . . . 19 LEU CB . 25087 1 275 . 1 1 19 19 LEU CG C 13 25.983 0.018 . 1 . . . . 19 LEU CG . 25087 1 276 . 1 1 19 19 LEU CD1 C 13 21.331 0.021 . 2 . . . . 19 LEU CD1 . 25087 1 277 . 1 1 19 19 LEU CD2 C 13 25.990 0.028 . 2 . . . . 19 LEU CD2 . 25087 1 278 . 1 1 19 19 LEU N N 15 117.435 0.007 . 1 . . . . 19 LEU N . 25087 1 279 . 1 1 20 20 LYS H H 1 7.323 0.001 . 1 . . . . 20 LYS H . 25087 1 280 . 1 1 20 20 LYS HA H 1 4.190 0.003 . 1 . . . . 20 LYS HA . 25087 1 281 . 1 1 20 20 LYS HB2 H 1 1.944 0.004 . 1 . . . . 20 LYS HB2 . 25087 1 282 . 1 1 20 20 LYS HB3 H 1 1.944 0.004 . 1 . . . . 20 LYS HB3 . 25087 1 283 . 1 1 20 20 LYS C C 13 180.360 0.007 . 1 . . . . 20 LYS C . 25087 1 284 . 1 1 20 20 LYS CA C 13 59.320 0.041 . 1 . . . . 20 LYS CA . 25087 1 285 . 1 1 20 20 LYS CB C 13 32.189 0.016 . 1 . . . . 20 LYS CB . 25087 1 286 . 1 1 20 20 LYS N N 15 118.338 0.011 . 1 . . . . 20 LYS N . 25087 1 287 . 1 1 21 21 THR H H 1 7.970 0.001 . 1 . . . . 21 THR H . 25087 1 288 . 1 1 21 21 THR HA H 1 4.167 0.004 . 1 . . . . 21 THR HA . 25087 1 289 . 1 1 21 21 THR HB H 1 4.293 0.003 . 1 . . . . 21 THR HB . 25087 1 290 . 1 1 21 21 THR HG21 H 1 1.419 0.002 . 1 . . . . 21 THR HG2 . 25087 1 291 . 1 1 21 21 THR HG22 H 1 1.419 0.002 . 1 . . . . 21 THR HG2 . 25087 1 292 . 1 1 21 21 THR HG23 H 1 1.419 0.002 . 1 . . . . 21 THR HG2 . 25087 1 293 . 1 1 21 21 THR C C 13 175.742 0.002 . 1 . . . . 21 THR C . 25087 1 294 . 1 1 21 21 THR CA C 13 65.132 0.037 . 1 . . . . 21 THR CA . 25087 1 295 . 1 1 21 21 THR CB C 13 69.307 0.037 . 1 . . . . 21 THR CB . 25087 1 296 . 1 1 21 21 THR CG2 C 13 21.764 0.031 . 1 . . . . 21 THR CG2 . 25087 1 297 . 1 1 21 21 THR N N 15 112.237 0.006 . 1 . . . . 21 THR N . 25087 1 298 . 1 1 22 22 ARG H H 1 7.291 0.001 . 1 . . . . 22 ARG H . 25087 1 299 . 1 1 22 22 ARG HA H 1 4.424 0.004 . 1 . . . . 22 ARG HA . 25087 1 300 . 1 1 22 22 ARG HB2 H 1 2.135 0.002 . 2 . . . . 22 ARG HB2 . 25087 1 301 . 1 1 22 22 ARG HB3 H 1 1.772 0.002 . 2 . . . . 22 ARG HB3 . 25087 1 302 . 1 1 22 22 ARG HG2 H 1 1.670 0.001 . 2 . . . . 22 ARG HG2 . 25087 1 303 . 1 1 22 22 ARG HG3 H 1 1.628 0.003 . 2 . . . . 22 ARG HG3 . 25087 1 304 . 1 1 22 22 ARG HD2 H 1 3.238 0.002 . 2 . . . . 22 ARG HD2 . 25087 1 305 . 1 1 22 22 ARG HD3 H 1 3.056 0.001 . 2 . . . . 22 ARG HD3 . 25087 1 306 . 1 1 22 22 ARG HE H 1 7.565 0.001 . 1 . . . . 22 ARG HE . 25087 1 307 . 1 1 22 22 ARG C C 13 176.500 0.010 . 1 . . . . 22 ARG C . 25087 1 308 . 1 1 22 22 ARG CA C 13 54.330 0.048 . 1 . . . . 22 ARG CA . 25087 1 309 . 1 1 22 22 ARG CB C 13 29.772 0.042 . 1 . . . . 22 ARG CB . 25087 1 310 . 1 1 22 22 ARG CG C 13 26.350 0.030 . 1 . . . . 22 ARG CG . 25087 1 311 . 1 1 22 22 ARG CD C 13 41.935 0.064 . 1 . . . . 22 ARG CD . 25087 1 312 . 1 1 22 22 ARG CZ C 13 159.817 0.002 . 1 . . . . 22 ARG CZ . 25087 1 313 . 1 1 22 22 ARG N N 15 118.412 0.009 . 1 . . . . 22 ARG N . 25087 1 314 . 1 1 22 22 ARG NE N 15 82.883 0.019 . 1 . . . . 22 ARG NE . 25087 1 315 . 1 1 23 23 GLY H H 1 7.924 0.001 . 1 . . . . 23 GLY H . 25087 1 316 . 1 1 23 23 GLY HA2 H 1 3.984 0.006 . 2 . . . . 23 GLY HA2 . 25087 1 317 . 1 1 23 23 GLY HA3 H 1 3.866 0.006 . 2 . . . . 23 GLY HA3 . 25087 1 318 . 1 1 23 23 GLY C C 13 174.299 0.003 . 1 . . . . 23 GLY C . 25087 1 319 . 1 1 23 23 GLY CA C 13 46.364 0.033 . 1 . . . . 23 GLY CA . 25087 1 320 . 1 1 23 23 GLY N N 15 108.362 0.011 . 1 . . . . 23 GLY N . 25087 1 321 . 1 1 24 24 VAL H H 1 7.514 0.002 . 1 . . . . 24 VAL H . 25087 1 322 . 1 1 24 24 VAL HA H 1 4.050 0.004 . 1 . . . . 24 VAL HA . 25087 1 323 . 1 1 24 24 VAL HB H 1 1.945 0.002 . 1 . . . . 24 VAL HB . 25087 1 324 . 1 1 24 24 VAL HG11 H 1 0.899 0.004 . 2 . . . . 24 VAL HG1 . 25087 1 325 . 1 1 24 24 VAL HG12 H 1 0.899 0.004 . 2 . . . . 24 VAL HG1 . 25087 1 326 . 1 1 24 24 VAL HG13 H 1 0.899 0.004 . 2 . . . . 24 VAL HG1 . 25087 1 327 . 1 1 24 24 VAL HG21 H 1 0.881 0.002 . 2 . . . . 24 VAL HG2 . 25087 1 328 . 1 1 24 24 VAL HG22 H 1 0.881 0.002 . 2 . . . . 24 VAL HG2 . 25087 1 329 . 1 1 24 24 VAL HG23 H 1 0.881 0.002 . 2 . . . . 24 VAL HG2 . 25087 1 330 . 1 1 24 24 VAL C C 13 175.623 0.004 . 1 . . . . 24 VAL C . 25087 1 331 . 1 1 24 24 VAL CA C 13 61.842 0.047 . 1 . . . . 24 VAL CA . 25087 1 332 . 1 1 24 24 VAL CB C 13 32.806 0.076 . 1 . . . . 24 VAL CB . 25087 1 333 . 1 1 24 24 VAL CG1 C 13 21.965 0.012 . 2 . . . . 24 VAL CG1 . 25087 1 334 . 1 1 24 24 VAL CG2 C 13 20.961 0.043 . 2 . . . . 24 VAL CG2 . 25087 1 335 . 1 1 24 24 VAL N N 15 118.035 0.006 . 1 . . . . 24 VAL N . 25087 1 336 . 1 1 25 25 LYS H H 1 8.722 0.001 . 1 . . . . 25 LYS H . 25087 1 337 . 1 1 25 25 LYS HA H 1 4.490 0.005 . 1 . . . . 25 LYS HA . 25087 1 338 . 1 1 25 25 LYS HB2 H 1 1.817 0.001 . 2 . . . . 25 LYS HB2 . 25087 1 339 . 1 1 25 25 LYS HB3 H 1 1.706 0.002 . 2 . . . . 25 LYS HB3 . 25087 1 340 . 1 1 25 25 LYS HG2 H 1 1.424 0.003 . 2 . . . . 25 LYS HG2 . 25087 1 341 . 1 1 25 25 LYS HG3 H 1 1.336 0.001 . 2 . . . . 25 LYS HG3 . 25087 1 342 . 1 1 25 25 LYS HD2 H 1 1.672 0.002 . 1 . . . . 25 LYS HD2 . 25087 1 343 . 1 1 25 25 LYS HD3 H 1 1.672 0.002 . 1 . . . . 25 LYS HD3 . 25087 1 344 . 1 1 25 25 LYS HE2 H 1 2.996 0.001 . 1 . . . . 25 LYS HE2 . 25087 1 345 . 1 1 25 25 LYS HE3 H 1 2.996 0.001 . 1 . . . . 25 LYS HE3 . 25087 1 346 . 1 1 25 25 LYS C C 13 175.546 0.004 . 1 . . . . 25 LYS C . 25087 1 347 . 1 1 25 25 LYS CA C 13 55.726 0.030 . 1 . . . . 25 LYS CA . 25087 1 348 . 1 1 25 25 LYS CB C 13 32.544 0.039 . 1 . . . . 25 LYS CB . 25087 1 349 . 1 1 25 25 LYS CG C 13 24.706 0.037 . 1 . . . . 25 LYS CG . 25087 1 350 . 1 1 25 25 LYS CD C 13 29.104 0.019 . 1 . . . . 25 LYS CD . 25087 1 351 . 1 1 25 25 LYS CE C 13 42.193 0.010 . 1 . . . . 25 LYS CE . 25087 1 352 . 1 1 25 25 LYS N N 15 128.361 0.008 . 1 . . . . 25 LYS N . 25087 1 353 . 1 1 26 26 VAL H H 1 7.855 0.002 . 1 . . . . 26 VAL H . 25087 1 354 . 1 1 26 26 VAL HA H 1 4.364 0.004 . 1 . . . . 26 VAL HA . 25087 1 355 . 1 1 26 26 VAL HB H 1 2.019 0.005 . 1 . . . . 26 VAL HB . 25087 1 356 . 1 1 26 26 VAL HG11 H 1 0.835 0.002 . 2 . . . . 26 VAL HG1 . 25087 1 357 . 1 1 26 26 VAL HG12 H 1 0.835 0.002 . 2 . . . . 26 VAL HG1 . 25087 1 358 . 1 1 26 26 VAL HG13 H 1 0.835 0.002 . 2 . . . . 26 VAL HG1 . 25087 1 359 . 1 1 26 26 VAL HG21 H 1 0.810 0.003 . 2 . . . . 26 VAL HG2 . 25087 1 360 . 1 1 26 26 VAL HG22 H 1 0.810 0.003 . 2 . . . . 26 VAL HG2 . 25087 1 361 . 1 1 26 26 VAL HG23 H 1 0.810 0.003 . 2 . . . . 26 VAL HG2 . 25087 1 362 . 1 1 26 26 VAL C C 13 174.605 0.004 . 1 . . . . 26 VAL C . 25087 1 363 . 1 1 26 26 VAL CA C 13 60.009 0.027 . 1 . . . . 26 VAL CA . 25087 1 364 . 1 1 26 26 VAL CB C 13 34.463 0.074 . 1 . . . . 26 VAL CB . 25087 1 365 . 1 1 26 26 VAL CG1 C 13 20.747 0.038 . 2 . . . . 26 VAL CG1 . 25087 1 366 . 1 1 26 26 VAL CG2 C 13 21.424 0.016 . 2 . . . . 26 VAL CG2 . 25087 1 367 . 1 1 26 26 VAL N N 15 120.059 0.026 . 1 . . . . 26 VAL N . 25087 1 368 . 1 1 27 27 LYS H H 1 8.748 0.001 . 1 . . . . 27 LYS H . 25087 1 369 . 1 1 27 27 LYS HA H 1 4.494 0.002 . 1 . . . . 27 LYS HA . 25087 1 370 . 1 1 27 27 LYS HB2 H 1 1.928 0.001 . 2 . . . . 27 LYS HB2 . 25087 1 371 . 1 1 27 27 LYS HB3 H 1 1.868 0.001 . 2 . . . . 27 LYS HB3 . 25087 1 372 . 1 1 27 27 LYS HG2 H 1 1.591 0.004 . 2 . . . . 27 LYS HG2 . 25087 1 373 . 1 1 27 27 LYS HG3 H 1 1.425 0.001 . 2 . . . . 27 LYS HG3 . 25087 1 374 . 1 1 27 27 LYS HD2 H 1 1.775 0.001 . 1 . . . . 27 LYS HD2 . 25087 1 375 . 1 1 27 27 LYS HD3 H 1 1.775 0.001 . 1 . . . . 27 LYS HD3 . 25087 1 376 . 1 1 27 27 LYS HE2 H 1 3.049 0.003 . 1 . . . . 27 LYS HE2 . 25087 1 377 . 1 1 27 27 LYS HE3 H 1 3.049 0.003 . 1 . . . . 27 LYS HE3 . 25087 1 378 . 1 1 27 27 LYS C C 13 177.533 0.005 . 1 . . . . 27 LYS C . 25087 1 379 . 1 1 27 27 LYS CA C 13 55.799 0.034 . 1 . . . . 27 LYS CA . 25087 1 380 . 1 1 27 27 LYS CB C 13 31.631 0.050 . 1 . . . . 27 LYS CB . 25087 1 381 . 1 1 27 27 LYS CG C 13 25.148 0.007 . 1 . . . . 27 LYS CG . 25087 1 382 . 1 1 27 27 LYS CD C 13 29.131 0.011 . 1 . . . . 27 LYS CD . 25087 1 383 . 1 1 27 27 LYS CE C 13 42.197 0.008 . 1 . . . . 27 LYS CE . 25087 1 384 . 1 1 27 27 LYS N N 15 126.247 0.008 . 1 . . . . 27 LYS N . 25087 1 385 . 1 1 28 28 PHE H H 1 9.109 0.002 . 1 . . . . 28 PHE H . 25087 1 386 . 1 1 28 28 PHE HA H 1 3.791 0.003 . 1 . . . . 28 PHE HA . 25087 1 387 . 1 1 28 28 PHE HB2 H 1 3.292 0.003 . 2 . . . . 28 PHE HB2 . 25087 1 388 . 1 1 28 28 PHE HB3 H 1 3.047 0.003 . 2 . . . . 28 PHE HB3 . 25087 1 389 . 1 1 28 28 PHE HD1 H 1 7.164 0.003 . 3 . . . . 28 PHE HD1 . 25087 1 390 . 1 1 28 28 PHE HD2 H 1 7.164 0.003 . 3 . . . . 28 PHE HD2 . 25087 1 391 . 1 1 28 28 PHE HE1 H 1 7.164 0.003 . 3 . . . . 28 PHE HE1 . 25087 1 392 . 1 1 28 28 PHE HE2 H 1 7.164 0.003 . 3 . . . . 28 PHE HE2 . 25087 1 393 . 1 1 28 28 PHE HZ H 1 7.105 0.001 . 1 . . . . 28 PHE HZ . 25087 1 394 . 1 1 28 28 PHE C C 13 176.848 0.004 . 1 . . . . 28 PHE C . 25087 1 395 . 1 1 28 28 PHE CA C 13 63.614 0.035 . 1 . . . . 28 PHE CA . 25087 1 396 . 1 1 28 28 PHE CB C 13 39.055 0.059 . 1 . . . . 28 PHE CB . 25087 1 397 . 1 1 28 28 PHE CZ C 13 128.981 0.031 . 1 . . . . 28 PHE CZ . 25087 1 398 . 1 1 28 28 PHE N N 15 131.752 0.022 . 1 . . . . 28 PHE N . 25087 1 399 . 1 1 29 29 ALA H H 1 8.934 0.002 . 1 . . . . 29 ALA H . 25087 1 400 . 1 1 29 29 ALA HA H 1 3.914 0.005 . 1 . . . . 29 ALA HA . 25087 1 401 . 1 1 29 29 ALA HB1 H 1 1.430 0.004 . 1 . . . . 29 ALA HB . 25087 1 402 . 1 1 29 29 ALA HB2 H 1 1.430 0.004 . 1 . . . . 29 ALA HB . 25087 1 403 . 1 1 29 29 ALA HB3 H 1 1.430 0.004 . 1 . . . . 29 ALA HB . 25087 1 404 . 1 1 29 29 ALA C C 13 180.507 0.013 . 1 . . . . 29 ALA C . 25087 1 405 . 1 1 29 29 ALA CA C 13 55.260 0.020 . 1 . . . . 29 ALA CA . 25087 1 406 . 1 1 29 29 ALA CB C 13 18.576 0.049 . 1 . . . . 29 ALA CB . 25087 1 407 . 1 1 29 29 ALA N N 15 117.631 0.016 . 1 . . . . 29 ALA N . 25087 1 408 . 1 1 30 30 ASP H H 1 7.070 0.002 . 1 . . . . 30 ASP H . 25087 1 409 . 1 1 30 30 ASP HA H 1 4.410 0.004 . 1 . . . . 30 ASP HA . 25087 1 410 . 1 1 30 30 ASP HB2 H 1 2.827 0.001 . 2 . . . . 30 ASP HB2 . 25087 1 411 . 1 1 30 30 ASP HB3 H 1 2.767 0.001 . 2 . . . . 30 ASP HB3 . 25087 1 412 . 1 1 30 30 ASP C C 13 178.683 0.002 . 1 . . . . 30 ASP C . 25087 1 413 . 1 1 30 30 ASP CA C 13 56.725 0.037 . 1 . . . . 30 ASP CA . 25087 1 414 . 1 1 30 30 ASP CB C 13 40.365 0.034 . 1 . . . . 30 ASP CB . 25087 1 415 . 1 1 30 30 ASP N N 15 117.326 0.009 . 1 . . . . 30 ASP N . 25087 1 416 . 1 1 31 31 LEU H H 1 7.502 0.002 . 1 . . . . 31 LEU H . 25087 1 417 . 1 1 31 31 LEU HA H 1 3.409 0.005 . 1 . . . . 31 LEU HA . 25087 1 418 . 1 1 31 31 LEU HB2 H 1 1.446 0.005 . 2 . . . . 31 LEU HB2 . 25087 1 419 . 1 1 31 31 LEU HB3 H 1 0.901 0.003 . 2 . . . . 31 LEU HB3 . 25087 1 420 . 1 1 31 31 LEU HG H 1 0.630 0.001 . 1 . . . . 31 LEU HG . 25087 1 421 . 1 1 31 31 LEU HD11 H 1 0.531 0.002 . 2 . . . . 31 LEU HD1 . 25087 1 422 . 1 1 31 31 LEU HD12 H 1 0.531 0.002 . 2 . . . . 31 LEU HD1 . 25087 1 423 . 1 1 31 31 LEU HD13 H 1 0.531 0.002 . 2 . . . . 31 LEU HD1 . 25087 1 424 . 1 1 31 31 LEU HD21 H 1 0.535 0.001 . 2 . . . . 31 LEU HD2 . 25087 1 425 . 1 1 31 31 LEU HD22 H 1 0.535 0.001 . 2 . . . . 31 LEU HD2 . 25087 1 426 . 1 1 31 31 LEU HD23 H 1 0.535 0.001 . 2 . . . . 31 LEU HD2 . 25087 1 427 . 1 1 31 31 LEU C C 13 177.717 0.006 . 1 . . . . 31 LEU C . 25087 1 428 . 1 1 31 31 LEU CA C 13 57.200 0.021 . 1 . . . . 31 LEU CA . 25087 1 429 . 1 1 31 31 LEU CB C 13 40.706 0.035 . 1 . . . . 31 LEU CB . 25087 1 430 . 1 1 31 31 LEU CG C 13 25.628 0.006 . 1 . . . . 31 LEU CG . 25087 1 431 . 1 1 31 31 LEU CD1 C 13 23.750 0.045 . 2 . . . . 31 LEU CD1 . 25087 1 432 . 1 1 31 31 LEU CD2 C 13 26.259 0.053 . 2 . . . . 31 LEU CD2 . 25087 1 433 . 1 1 31 31 LEU N N 15 124.087 0.007 . 1 . . . . 31 LEU N . 25087 1 434 . 1 1 32 32 LEU H H 1 7.663 0.003 . 1 . . . . 32 LEU H . 25087 1 435 . 1 1 32 32 LEU HA H 1 3.825 0.003 . 1 . . . . 32 LEU HA . 25087 1 436 . 1 1 32 32 LEU HB2 H 1 1.980 0.002 . 2 . . . . 32 LEU HB2 . 25087 1 437 . 1 1 32 32 LEU HB3 H 1 1.509 0.005 . 2 . . . . 32 LEU HB3 . 25087 1 438 . 1 1 32 32 LEU HG H 1 1.911 0.003 . 1 . . . . 32 LEU HG . 25087 1 439 . 1 1 32 32 LEU HD11 H 1 0.735 0.001 . 2 . . . . 32 LEU HD1 . 25087 1 440 . 1 1 32 32 LEU HD12 H 1 0.735 0.001 . 2 . . . . 32 LEU HD1 . 25087 1 441 . 1 1 32 32 LEU HD13 H 1 0.735 0.001 . 2 . . . . 32 LEU HD1 . 25087 1 442 . 1 1 32 32 LEU HD21 H 1 0.893 0.001 . 2 . . . . 32 LEU HD2 . 25087 1 443 . 1 1 32 32 LEU HD22 H 1 0.893 0.001 . 2 . . . . 32 LEU HD2 . 25087 1 444 . 1 1 32 32 LEU HD23 H 1 0.893 0.001 . 2 . . . . 32 LEU HD2 . 25087 1 445 . 1 1 32 32 LEU C C 13 179.010 0.030 . 1 . . . . 32 LEU C . 25087 1 446 . 1 1 32 32 LEU CA C 13 58.160 0.040 . 1 . . . . 32 LEU CA . 25087 1 447 . 1 1 32 32 LEU CB C 13 41.078 0.033 . 1 . . . . 32 LEU CB . 25087 1 448 . 1 1 32 32 LEU CG C 13 26.785 0.011 . 1 . . . . 32 LEU CG . 25087 1 449 . 1 1 32 32 LEU CD1 C 13 22.760 0.023 . 2 . . . . 32 LEU CD1 . 25087 1 450 . 1 1 32 32 LEU CD2 C 13 25.957 0.025 . 2 . . . . 32 LEU CD2 . 25087 1 451 . 1 1 32 32 LEU N N 15 116.790 0.006 . 1 . . . . 32 LEU N . 25087 1 452 . 1 1 33 33 LYS H H 1 7.915 0.001 . 1 . . . . 33 LYS H . 25087 1 453 . 1 1 33 33 LYS HA H 1 4.245 0.003 . 1 . . . . 33 LYS HA . 25087 1 454 . 1 1 33 33 LYS HB2 H 1 1.940 0.002 . 2 . . . . 33 LYS HB2 . 25087 1 455 . 1 1 33 33 LYS HB3 H 1 1.939 0.002 . 2 . . . . 33 LYS HB3 . 25087 1 456 . 1 1 33 33 LYS HG2 H 1 1.687 0.001 . 2 . . . . 33 LYS HG2 . 25087 1 457 . 1 1 33 33 LYS HG3 H 1 1.522 0.001 . 2 . . . . 33 LYS HG3 . 25087 1 458 . 1 1 33 33 LYS HD2 H 1 1.763 0.002 . 1 . . . . 33 LYS HD2 . 25087 1 459 . 1 1 33 33 LYS HD3 H 1 1.763 0.002 . 1 . . . . 33 LYS HD3 . 25087 1 460 . 1 1 33 33 LYS HE2 H 1 3.012 0.001 . 1 . . . . 33 LYS HE2 . 25087 1 461 . 1 1 33 33 LYS HE3 H 1 3.012 0.001 . 1 . . . . 33 LYS HE3 . 25087 1 462 . 1 1 33 33 LYS C C 13 180.063 0.006 . 1 . . . . 33 LYS C . 25087 1 463 . 1 1 33 33 LYS CA C 13 59.291 0.033 . 1 . . . . 33 LYS CA . 25087 1 464 . 1 1 33 33 LYS CB C 13 32.022 0.071 . 1 . . . . 33 LYS CB . 25087 1 465 . 1 1 33 33 LYS CG C 13 25.201 0.033 . 1 . . . . 33 LYS CG . 25087 1 466 . 1 1 33 33 LYS CD C 13 29.187 0.016 . 1 . . . . 33 LYS CD . 25087 1 467 . 1 1 33 33 LYS CE C 13 42.178 0.022 . 1 . . . . 33 LYS CE . 25087 1 468 . 1 1 33 33 LYS N N 15 119.417 0.010 . 1 . . . . 33 LYS N . 25087 1 469 . 1 1 34 34 PHE H H 1 7.770 0.002 . 1 . . . . 34 PHE H . 25087 1 470 . 1 1 34 34 PHE HA H 1 4.517 0.007 . 1 . . . . 34 PHE HA . 25087 1 471 . 1 1 34 34 PHE HB2 H 1 3.122 0.002 . 2 . . . . 34 PHE HB2 . 25087 1 472 . 1 1 34 34 PHE HB3 H 1 2.945 0.006 . 2 . . . . 34 PHE HB3 . 25087 1 473 . 1 1 34 34 PHE HD1 H 1 7.348 0.003 . 3 . . . . 34 PHE HD1 . 25087 1 474 . 1 1 34 34 PHE HD2 H 1 7.348 0.003 . 3 . . . . 34 PHE HD2 . 25087 1 475 . 1 1 34 34 PHE HE1 H 1 7.702 0.001 . 3 . . . . 34 PHE HE1 . 25087 1 476 . 1 1 34 34 PHE HE2 H 1 7.702 0.001 . 3 . . . . 34 PHE HE2 . 25087 1 477 . 1 1 34 34 PHE HZ H 1 7.571 0.008 . 1 . . . . 34 PHE HZ . 25087 1 478 . 1 1 34 34 PHE C C 13 177.262 0.004 . 1 . . . . 34 PHE C . 25087 1 479 . 1 1 34 34 PHE CA C 13 60.645 0.049 . 1 . . . . 34 PHE CA . 25087 1 480 . 1 1 34 34 PHE CB C 13 37.524 0.047 . 1 . . . . 34 PHE CB . 25087 1 481 . 1 1 34 34 PHE CE1 C 13 131.312 0.024 . 1 . . . . 34 PHE CE1 . 25087 1 482 . 1 1 34 34 PHE CE2 C 13 131.312 0.024 . 1 . . . . 34 PHE CE2 . 25087 1 483 . 1 1 34 34 PHE CZ C 13 125.504 0.021 . 1 . . . . 34 PHE CZ . 25087 1 484 . 1 1 34 34 PHE N N 15 123.107 0.008 . 1 . . . . 34 PHE N . 25087 1 485 . 1 1 35 35 PHE H H 1 8.412 0.002 . 1 . . . . 35 PHE H . 25087 1 486 . 1 1 35 35 PHE HA H 1 4.323 0.004 . 1 . . . . 35 PHE HA . 25087 1 487 . 1 1 35 35 PHE HB2 H 1 3.563 0.005 . 2 . . . . 35 PHE HB2 . 25087 1 488 . 1 1 35 35 PHE HB3 H 1 3.155 0.002 . 2 . . . . 35 PHE HB3 . 25087 1 489 . 1 1 35 35 PHE HD1 H 1 7.063 0.001 . 3 . . . . 35 PHE HD1 . 25087 1 490 . 1 1 35 35 PHE HD2 H 1 7.063 0.001 . 3 . . . . 35 PHE HD2 . 25087 1 491 . 1 1 35 35 PHE HE1 H 1 6.960 0.001 . 3 . . . . 35 PHE HE1 . 25087 1 492 . 1 1 35 35 PHE HE2 H 1 6.960 0.001 . 3 . . . . 35 PHE HE2 . 25087 1 493 . 1 1 35 35 PHE HZ H 1 7.181 0.003 . 1 . . . . 35 PHE HZ . 25087 1 494 . 1 1 35 35 PHE C C 13 178.704 0.001 . 1 . . . . 35 PHE C . 25087 1 495 . 1 1 35 35 PHE CA C 13 57.755 0.033 . 1 . . . . 35 PHE CA . 25087 1 496 . 1 1 35 35 PHE CB C 13 35.856 0.041 . 1 . . . . 35 PHE CB . 25087 1 497 . 1 1 35 35 PHE CD1 C 13 130.048 0.030 . 1 . . . . 35 PHE CD1 . 25087 1 498 . 1 1 35 35 PHE CD2 C 13 130.048 0.030 . 1 . . . . 35 PHE CD2 . 25087 1 499 . 1 1 35 35 PHE CE1 C 13 128.455 0.043 . 1 . . . . 35 PHE CE1 . 25087 1 500 . 1 1 35 35 PHE CE2 C 13 128.455 0.043 . 1 . . . . 35 PHE CE2 . 25087 1 501 . 1 1 35 35 PHE N N 15 120.402 0.013 . 1 . . . . 35 PHE N . 25087 1 502 . 1 1 36 36 ASP H H 1 8.187 0.002 . 1 . . . . 36 ASP H . 25087 1 503 . 1 1 36 36 ASP HA H 1 4.610 0.006 . 1 . . . . 36 ASP HA . 25087 1 504 . 1 1 36 36 ASP HB2 H 1 3.118 0.002 . 2 . . . . 36 ASP HB2 . 25087 1 505 . 1 1 36 36 ASP HB3 H 1 2.865 0.009 . 2 . . . . 36 ASP HB3 . 25087 1 506 . 1 1 36 36 ASP C C 13 177.252 0.002 . 1 . . . . 36 ASP C . 25087 1 507 . 1 1 36 36 ASP CA C 13 58.639 0.021 . 1 . . . . 36 ASP CA . 25087 1 508 . 1 1 36 36 ASP CB C 13 40.036 0.056 . 1 . . . . 36 ASP CB . 25087 1 509 . 1 1 36 36 ASP N N 15 120.257 0.010 . 1 . . . . 36 ASP N . 25087 1 510 . 1 1 37 37 PHE H H 1 8.003 0.002 . 1 . . . . 37 PHE H . 25087 1 511 . 1 1 37 37 PHE HA H 1 4.419 0.001 . 1 . . . . 37 PHE HA . 25087 1 512 . 1 1 37 37 PHE HB2 H 1 3.523 0.003 . 2 . . . . 37 PHE HB2 . 25087 1 513 . 1 1 37 37 PHE HB3 H 1 3.274 0.001 . 2 . . . . 37 PHE HB3 . 25087 1 514 . 1 1 37 37 PHE HD1 H 1 7.061 0.003 . 3 . . . . 37 PHE HD1 . 25087 1 515 . 1 1 37 37 PHE HD2 H 1 7.061 0.003 . 3 . . . . 37 PHE HD2 . 25087 1 516 . 1 1 37 37 PHE HE1 H 1 6.652 0.002 . 3 . . . . 37 PHE HE1 . 25087 1 517 . 1 1 37 37 PHE HE2 H 1 6.652 0.002 . 3 . . . . 37 PHE HE2 . 25087 1 518 . 1 1 37 37 PHE HZ H 1 7.041 0.003 . 1 . . . . 37 PHE HZ . 25087 1 519 . 1 1 37 37 PHE C C 13 179.003 0.007 . 1 . . . . 37 PHE C . 25087 1 520 . 1 1 37 37 PHE CA C 13 61.602 0.040 . 1 . . . . 37 PHE CA . 25087 1 521 . 1 1 37 37 PHE CB C 13 38.634 0.042 . 1 . . . . 37 PHE CB . 25087 1 522 . 1 1 37 37 PHE CD1 C 13 131.723 0.015 . 1 . . . . 37 PHE CD1 . 25087 1 523 . 1 1 37 37 PHE CD2 C 13 131.723 0.015 . 1 . . . . 37 PHE CD2 . 25087 1 524 . 1 1 37 37 PHE CE1 C 13 131.257 0.050 . 1 . . . . 37 PHE CE1 . 25087 1 525 . 1 1 37 37 PHE CE2 C 13 131.257 0.050 . 1 . . . . 37 PHE CE2 . 25087 1 526 . 1 1 37 37 PHE CZ C 13 129.810 0.030 . 1 . . . . 37 PHE CZ . 25087 1 527 . 1 1 37 37 PHE N N 15 123.073 0.007 . 1 . . . . 37 PHE N . 25087 1 528 . 1 1 38 38 VAL H H 1 8.521 0.001 . 1 . . . . 38 VAL H . 25087 1 529 . 1 1 38 38 VAL HA H 1 3.132 0.002 . 1 . . . . 38 VAL HA . 25087 1 530 . 1 1 38 38 VAL HB H 1 2.372 0.005 . 1 . . . . 38 VAL HB . 25087 1 531 . 1 1 38 38 VAL HG11 H 1 0.751 0.001 . 2 . . . . 38 VAL HG1 . 25087 1 532 . 1 1 38 38 VAL HG12 H 1 0.751 0.001 . 2 . . . . 38 VAL HG1 . 25087 1 533 . 1 1 38 38 VAL HG13 H 1 0.751 0.001 . 2 . . . . 38 VAL HG1 . 25087 1 534 . 1 1 38 38 VAL HG21 H 1 0.576 0.001 . 2 . . . . 38 VAL HG2 . 25087 1 535 . 1 1 38 38 VAL HG22 H 1 0.576 0.001 . 2 . . . . 38 VAL HG2 . 25087 1 536 . 1 1 38 38 VAL HG23 H 1 0.576 0.001 . 2 . . . . 38 VAL HG2 . 25087 1 537 . 1 1 38 38 VAL C C 13 176.353 0.001 . 1 . . . . 38 VAL C . 25087 1 538 . 1 1 38 38 VAL CA C 13 67.535 0.031 . 1 . . . . 38 VAL CA . 25087 1 539 . 1 1 38 38 VAL CB C 13 30.952 0.084 . 1 . . . . 38 VAL CB . 25087 1 540 . 1 1 38 38 VAL CG1 C 13 24.156 0.035 . 2 . . . . 38 VAL CG1 . 25087 1 541 . 1 1 38 38 VAL CG2 C 13 21.371 0.025 . 2 . . . . 38 VAL CG2 . 25087 1 542 . 1 1 38 38 VAL N N 15 122.509 0.017 . 1 . . . . 38 VAL N . 25087 1 543 . 1 1 39 39 LYS H H 1 7.592 0.002 . 1 . . . . 39 LYS H . 25087 1 544 . 1 1 39 39 LYS HA H 1 3.521 0.004 . 1 . . . . 39 LYS HA . 25087 1 545 . 1 1 39 39 LYS HB2 H 1 2.204 0.004 . 2 . . . . 39 LYS HB2 . 25087 1 546 . 1 1 39 39 LYS HB3 H 1 1.596 0.006 . 2 . . . . 39 LYS HB3 . 25087 1 547 . 1 1 39 39 LYS HG2 H 1 1.419 0.003 . 1 . . . . 39 LYS HG2 . 25087 1 548 . 1 1 39 39 LYS HG3 H 1 1.419 0.003 . 1 . . . . 39 LYS HG3 . 25087 1 549 . 1 1 39 39 LYS HD2 H 1 1.753 0.001 . 2 . . . . 39 LYS HD2 . 25087 1 550 . 1 1 39 39 LYS HD3 H 1 1.612 0.001 . 2 . . . . 39 LYS HD3 . 25087 1 551 . 1 1 39 39 LYS HE2 H 1 2.993 0.001 . 1 . . . . 39 LYS HE2 . 25087 1 552 . 1 1 39 39 LYS HE3 H 1 2.993 0.001 . 1 . . . . 39 LYS HE3 . 25087 1 553 . 1 1 39 39 LYS C C 13 176.554 0.006 . 1 . . . . 39 LYS C . 25087 1 554 . 1 1 39 39 LYS CA C 13 59.863 0.028 . 1 . . . . 39 LYS CA . 25087 1 555 . 1 1 39 39 LYS CB C 13 32.065 0.073 . 1 . . . . 39 LYS CB . 25087 1 556 . 1 1 39 39 LYS CG C 13 25.023 0.029 . 1 . . . . 39 LYS CG . 25087 1 557 . 1 1 39 39 LYS CD C 13 29.714 0.037 . 1 . . . . 39 LYS CD . 25087 1 558 . 1 1 39 39 LYS CE C 13 42.261 0.030 . 1 . . . . 39 LYS CE . 25087 1 559 . 1 1 39 39 LYS N N 15 118.807 0.008 . 1 . . . . 39 LYS N . 25087 1 560 . 1 1 40 40 ASP H H 1 8.118 0.001 . 1 . . . . 40 ASP H . 25087 1 561 . 1 1 40 40 ASP HA H 1 4.274 0.004 . 1 . . . . 40 ASP HA . 25087 1 562 . 1 1 40 40 ASP HB2 H 1 2.554 0.002 . 1 . . . . 40 ASP HB2 . 25087 1 563 . 1 1 40 40 ASP HB3 H 1 2.554 0.002 . 1 . . . . 40 ASP HB3 . 25087 1 564 . 1 1 40 40 ASP C C 13 177.997 0.002 . 1 . . . . 40 ASP C . 25087 1 565 . 1 1 40 40 ASP CA C 13 56.901 0.008 . 1 . . . . 40 ASP CA . 25087 1 566 . 1 1 40 40 ASP CB C 13 41.373 0.062 . 1 . . . . 40 ASP CB . 25087 1 567 . 1 1 40 40 ASP N N 15 116.175 0.013 . 1 . . . . 40 ASP N . 25087 1 568 . 1 1 41 41 THR H H 1 7.777 0.002 . 1 . . . . 41 THR H . 25087 1 569 . 1 1 41 41 THR HA H 1 3.881 0.004 . 1 . . . . 41 THR HA . 25087 1 570 . 1 1 41 41 THR HB H 1 3.686 0.004 . 1 . . . . 41 THR HB . 25087 1 571 . 1 1 41 41 THR HG21 H 1 0.893 0.001 . 1 . . . . 41 THR HG2 . 25087 1 572 . 1 1 41 41 THR HG22 H 1 0.893 0.001 . 1 . . . . 41 THR HG2 . 25087 1 573 . 1 1 41 41 THR HG23 H 1 0.893 0.001 . 1 . . . . 41 THR HG2 . 25087 1 574 . 1 1 41 41 THR C C 13 175.123 0.004 . 1 . . . . 41 THR C . 25087 1 575 . 1 1 41 41 THR CA C 13 65.019 0.032 . 1 . . . . 41 THR CA . 25087 1 576 . 1 1 41 41 THR CB C 13 69.669 0.041 . 1 . . . . 41 THR CB . 25087 1 577 . 1 1 41 41 THR CG2 C 13 21.905 0.004 . 1 . . . . 41 THR CG2 . 25087 1 578 . 1 1 41 41 THR N N 15 112.353 0.010 . 1 . . . . 41 THR N . 25087 1 579 . 1 1 42 42 CYS H H 1 8.385 0.002 . 1 . . . . 42 CYS H . 25087 1 580 . 1 1 42 42 CYS HA H 1 4.651 0.001 . 1 . . . . 42 CYS HA . 25087 1 581 . 1 1 42 42 CYS HB2 H 1 2.492 0.002 . 2 . . . . 42 CYS HB2 . 25087 1 582 . 1 1 42 42 CYS HB3 H 1 1.721 0.001 . 2 . . . . 42 CYS HB3 . 25087 1 583 . 1 1 42 42 CYS C C 13 171.873 0.005 . 1 . . . . 42 CYS C . 25087 1 584 . 1 1 42 42 CYS CA C 13 55.515 0.029 . 1 . . . . 42 CYS CA . 25087 1 585 . 1 1 42 42 CYS CB C 13 28.281 0.033 . 1 . . . . 42 CYS CB . 25087 1 586 . 1 1 42 42 CYS N N 15 118.339 0.013 . 1 . . . . 42 CYS N . 25087 1 587 . 1 1 43 43 PRO HA H 1 4.376 0.004 . 1 . . . . 43 PRO HA . 25087 1 588 . 1 1 43 43 PRO HB2 H 1 2.492 0.003 . 2 . . . . 43 PRO HB2 . 25087 1 589 . 1 1 43 43 PRO HB3 H 1 2.035 0.003 . 2 . . . . 43 PRO HB3 . 25087 1 590 . 1 1 43 43 PRO HG2 H 1 2.161 0.004 . 1 . . . . 43 PRO HG2 . 25087 1 591 . 1 1 43 43 PRO HG3 H 1 2.161 0.004 . 1 . . . . 43 PRO HG3 . 25087 1 592 . 1 1 43 43 PRO HD2 H 1 3.717 0.003 . 2 . . . . 43 PRO HD2 . 25087 1 593 . 1 1 43 43 PRO HD3 H 1 3.341 0.002 . 2 . . . . 43 PRO HD3 . 25087 1 594 . 1 1 43 43 PRO C C 13 176.900 0.004 . 1 . . . . 43 PRO C . 25087 1 595 . 1 1 43 43 PRO CA C 13 65.604 0.054 . 1 . . . . 43 PRO CA . 25087 1 596 . 1 1 43 43 PRO CB C 13 31.162 0.062 . 1 . . . . 43 PRO CB . 25087 1 597 . 1 1 43 43 PRO CG C 13 27.585 0.062 . 1 . . . . 43 PRO CG . 25087 1 598 . 1 1 43 43 PRO CD C 13 50.224 0.027 . 1 . . . . 43 PRO CD . 25087 1 599 . 1 1 43 43 PRO N N 15 139.623 0.020 . 1 . . . . 43 PRO N . 25087 1 600 . 1 1 44 44 TRP H H 1 6.678 0.001 . 1 . . . . 44 TRP H . 25087 1 601 . 1 1 44 44 TRP HA H 1 4.432 0.003 . 1 . . . . 44 TRP HA . 25087 1 602 . 1 1 44 44 TRP HB2 H 1 3.602 0.005 . 2 . . . . 44 TRP HB2 . 25087 1 603 . 1 1 44 44 TRP HB3 H 1 3.263 0.004 . 2 . . . . 44 TRP HB3 . 25087 1 604 . 1 1 44 44 TRP HD1 H 1 7.577 0.006 . 1 . . . . 44 TRP HD1 . 25087 1 605 . 1 1 44 44 TRP HE1 H 1 10.358 0.001 . 1 . . . . 44 TRP HE1 . 25087 1 606 . 1 1 44 44 TRP HE3 H 1 7.262 0.003 . 1 . . . . 44 TRP HE3 . 25087 1 607 . 1 1 44 44 TRP HZ2 H 1 7.360 0.003 . 1 . . . . 44 TRP HZ2 . 25087 1 608 . 1 1 44 44 TRP HZ3 H 1 7.497 0.008 . 1 . . . . 44 TRP HZ3 . 25087 1 609 . 1 1 44 44 TRP HH2 H 1 7.224 0.003 . 1 . . . . 44 TRP HH2 . 25087 1 610 . 1 1 44 44 TRP C C 13 177.119 0.030 . 1 . . . . 44 TRP C . 25087 1 611 . 1 1 44 44 TRP CA C 13 55.795 0.050 . 1 . . . . 44 TRP CA . 25087 1 612 . 1 1 44 44 TRP CB C 13 28.087 0.036 . 1 . . . . 44 TRP CB . 25087 1 613 . 1 1 44 44 TRP CD1 C 13 127.528 0.064 . 1 . . . . 44 TRP CD1 . 25087 1 614 . 1 1 44 44 TRP CE2 C 13 138.990 0.030 . 1 . . . . 44 TRP CE2 . 25087 1 615 . 1 1 44 44 TRP CE3 C 13 121.920 0.040 . 1 . . . . 44 TRP CE3 . 25087 1 616 . 1 1 44 44 TRP CZ2 C 13 114.223 0.054 . 1 . . . . 44 TRP CZ2 . 25087 1 617 . 1 1 44 44 TRP CZ3 C 13 122.020 0.013 . 1 . . . . 44 TRP CZ3 . 25087 1 618 . 1 1 44 44 TRP N N 15 113.856 0.007 . 1 . . . . 44 TRP N . 25087 1 619 . 1 1 44 44 TRP NE1 N 15 129.478 0.006 . 1 . . . . 44 TRP NE1 . 25087 1 620 . 1 1 45 45 PHE H H 1 7.349 0.001 . 1 . . . . 45 PHE H . 25087 1 621 . 1 1 45 45 PHE HA H 1 4.107 0.003 . 1 . . . . 45 PHE HA . 25087 1 622 . 1 1 45 45 PHE HB2 H 1 2.599 0.001 . 2 . . . . 45 PHE HB2 . 25087 1 623 . 1 1 45 45 PHE HB3 H 1 1.233 0.003 . 2 . . . . 45 PHE HB3 . 25087 1 624 . 1 1 45 45 PHE HD1 H 1 6.842 0.005 . 3 . . . . 45 PHE HD1 . 25087 1 625 . 1 1 45 45 PHE HD2 H 1 6.842 0.005 . 3 . . . . 45 PHE HD2 . 25087 1 626 . 1 1 45 45 PHE HE1 H 1 7.205 0.003 . 3 . . . . 45 PHE HE1 . 25087 1 627 . 1 1 45 45 PHE HE2 H 1 7.205 0.003 . 3 . . . . 45 PHE HE2 . 25087 1 628 . 1 1 45 45 PHE HZ H 1 7.205 0.003 . 1 . . . . 45 PHE HZ . 25087 1 629 . 1 1 45 45 PHE C C 13 175.450 0.003 . 1 . . . . 45 PHE C . 25087 1 630 . 1 1 45 45 PHE CA C 13 63.015 0.041 . 1 . . . . 45 PHE CA . 25087 1 631 . 1 1 45 45 PHE CB C 13 35.180 0.017 . 1 . . . . 45 PHE CB . 25087 1 632 . 1 1 45 45 PHE CD1 C 13 128.891 0.020 . 1 . . . . 45 PHE CD1 . 25087 1 633 . 1 1 45 45 PHE CD2 C 13 128.891 0.020 . 1 . . . . 45 PHE CD2 . 25087 1 634 . 1 1 45 45 PHE N N 15 122.873 0.013 . 1 . . . . 45 PHE N . 25087 1 635 . 1 1 46 46 PRO HA H 1 4.058 0.004 . 1 . . . . 46 PRO HA . 25087 1 636 . 1 1 46 46 PRO HB2 H 1 2.153 0.002 . 2 . . . . 46 PRO HB2 . 25087 1 637 . 1 1 46 46 PRO HB3 H 1 2.025 0.006 . 2 . . . . 46 PRO HB3 . 25087 1 638 . 1 1 46 46 PRO HG2 H 1 2.196 0.003 . 2 . . . . 46 PRO HG2 . 25087 1 639 . 1 1 46 46 PRO HG3 H 1 1.672 0.002 . 2 . . . . 46 PRO HG3 . 25087 1 640 . 1 1 46 46 PRO HD2 H 1 4.298 0.003 . 2 . . . . 46 PRO HD2 . 25087 1 641 . 1 1 46 46 PRO HD3 H 1 3.413 0.003 . 2 . . . . 46 PRO HD3 . 25087 1 642 . 1 1 46 46 PRO C C 13 176.689 0.008 . 1 . . . . 46 PRO C . 25087 1 643 . 1 1 46 46 PRO CA C 13 64.927 0.043 . 1 . . . . 46 PRO CA . 25087 1 644 . 1 1 46 46 PRO CB C 13 30.571 0.073 . 1 . . . . 46 PRO CB . 25087 1 645 . 1 1 46 46 PRO CG C 13 28.130 0.055 . 1 . . . . 46 PRO CG . 25087 1 646 . 1 1 46 46 PRO CD C 13 49.684 0.028 . 1 . . . . 46 PRO CD . 25087 1 647 . 1 1 46 46 PRO N N 15 134.790 0.020 . 1 . . . . 46 PRO N . 25087 1 648 . 1 1 47 47 GLN H H 1 6.594 0.001 . 1 . . . . 47 GLN H . 25087 1 649 . 1 1 47 47 GLN HA H 1 3.975 0.003 . 1 . . . . 47 GLN HA . 25087 1 650 . 1 1 47 47 GLN HB2 H 1 2.141 0.003 . 1 . . . . 47 GLN HB2 . 25087 1 651 . 1 1 47 47 GLN HB3 H 1 2.141 0.003 . 1 . . . . 47 GLN HB3 . 25087 1 652 . 1 1 47 47 GLN HG2 H 1 2.449 0.003 . 1 . . . . 47 GLN HG2 . 25087 1 653 . 1 1 47 47 GLN HG3 H 1 2.449 0.003 . 1 . . . . 47 GLN HG3 . 25087 1 654 . 1 1 47 47 GLN HE21 H 1 7.446 0.001 . 2 . . . . 47 GLN HE21 . 25087 1 655 . 1 1 47 47 GLN HE22 H 1 6.859 0.001 . 2 . . . . 47 GLN HE22 . 25087 1 656 . 1 1 47 47 GLN C C 13 177.484 0.006 . 1 . . . . 47 GLN C . 25087 1 657 . 1 1 47 47 GLN CA C 13 58.465 0.071 . 1 . . . . 47 GLN CA . 25087 1 658 . 1 1 47 47 GLN CB C 13 28.598 0.023 . 1 . . . . 47 GLN CB . 25087 1 659 . 1 1 47 47 GLN CG C 13 33.491 0.030 . 1 . . . . 47 GLN CG . 25087 1 660 . 1 1 47 47 GLN CD C 13 179.905 0.010 . 1 . . . . 47 GLN CD . 25087 1 661 . 1 1 47 47 GLN N N 15 114.417 0.007 . 1 . . . . 47 GLN N . 25087 1 662 . 1 1 47 47 GLN NE2 N 15 111.386 0.018 . 1 . . . . 47 GLN NE2 . 25087 1 663 . 1 1 48 48 GLU H H 1 7.785 0.002 . 1 . . . . 48 GLU H . 25087 1 664 . 1 1 48 48 GLU HA H 1 4.149 0.004 . 1 . . . . 48 GLU HA . 25087 1 665 . 1 1 48 48 GLU HB2 H 1 2.241 0.003 . 2 . . . . 48 GLU HB2 . 25087 1 666 . 1 1 48 48 GLU HB3 H 1 2.169 0.001 . 2 . . . . 48 GLU HB3 . 25087 1 667 . 1 1 48 48 GLU HG2 H 1 2.751 0.001 . 2 . . . . 48 GLU HG2 . 25087 1 668 . 1 1 48 48 GLU HG3 H 1 2.358 0.001 . 2 . . . . 48 GLU HG3 . 25087 1 669 . 1 1 48 48 GLU C C 13 179.379 0.001 . 1 . . . . 48 GLU C . 25087 1 670 . 1 1 48 48 GLU CA C 13 58.386 0.030 . 1 . . . . 48 GLU CA . 25087 1 671 . 1 1 48 48 GLU CB C 13 29.429 0.043 . 1 . . . . 48 GLU CB . 25087 1 672 . 1 1 48 48 GLU CG C 13 37.329 0.021 . 1 . . . . 48 GLU CG . 25087 1 673 . 1 1 48 48 GLU N N 15 117.320 0.015 . 1 . . . . 48 GLU N . 25087 1 674 . 1 1 49 49 GLY H H 1 7.331 0.001 . 1 . . . . 49 GLY H . 25087 1 675 . 1 1 49 49 GLY HA2 H 1 3.593 0.003 . 2 . . . . 49 GLY HA2 . 25087 1 676 . 1 1 49 49 GLY HA3 H 1 3.213 0.004 . 2 . . . . 49 GLY HA3 . 25087 1 677 . 1 1 49 49 GLY C C 13 171.171 0.003 . 1 . . . . 49 GLY C . 25087 1 678 . 1 1 49 49 GLY CA C 13 47.467 0.030 . 1 . . . . 49 GLY CA . 25087 1 679 . 1 1 49 49 GLY N N 15 105.403 0.007 . 1 . . . . 49 GLY N . 25087 1 680 . 1 1 50 50 THR H H 1 7.650 0.002 . 1 . . . . 50 THR H . 25087 1 681 . 1 1 50 50 THR HA H 1 4.320 0.007 . 1 . . . . 50 THR HA . 25087 1 682 . 1 1 50 50 THR HB H 1 3.558 0.004 . 1 . . . . 50 THR HB . 25087 1 683 . 1 1 50 50 THR HG21 H 1 1.106 0.003 . 1 . . . . 50 THR HG2 . 25087 1 684 . 1 1 50 50 THR HG22 H 1 1.106 0.003 . 1 . . . . 50 THR HG2 . 25087 1 685 . 1 1 50 50 THR HG23 H 1 1.106 0.003 . 1 . . . . 50 THR HG2 . 25087 1 686 . 1 1 50 50 THR C C 13 173.219 0.030 . 1 . . . . 50 THR C . 25087 1 687 . 1 1 50 50 THR CA C 13 61.972 0.044 . 1 . . . . 50 THR CA . 25087 1 688 . 1 1 50 50 THR CB C 13 71.070 0.023 . 1 . . . . 50 THR CB . 25087 1 689 . 1 1 50 50 THR CG2 C 13 21.799 0.021 . 1 . . . . 50 THR CG2 . 25087 1 690 . 1 1 50 50 THR N N 15 114.054 0.014 . 1 . . . . 50 THR N . 25087 1 691 . 1 1 51 51 ILE H H 1 10.085 0.002 . 1 . . . . 51 ILE H . 25087 1 692 . 1 1 51 51 ILE HA H 1 4.186 0.007 . 1 . . . . 51 ILE HA . 25087 1 693 . 1 1 51 51 ILE HB H 1 2.069 0.004 . 1 . . . . 51 ILE HB . 25087 1 694 . 1 1 51 51 ILE HG12 H 1 1.272 0.001 . 2 . . . . 51 ILE HG12 . 25087 1 695 . 1 1 51 51 ILE HG13 H 1 1.234 0.001 . 2 . . . . 51 ILE HG13 . 25087 1 696 . 1 1 51 51 ILE HG21 H 1 0.685 0.002 . 1 . . . . 51 ILE HG2 . 25087 1 697 . 1 1 51 51 ILE HG22 H 1 0.685 0.002 . 1 . . . . 51 ILE HG2 . 25087 1 698 . 1 1 51 51 ILE HG23 H 1 0.685 0.002 . 1 . . . . 51 ILE HG2 . 25087 1 699 . 1 1 51 51 ILE HD11 H 1 0.659 0.001 . 1 . . . . 51 ILE HD1 . 25087 1 700 . 1 1 51 51 ILE HD12 H 1 0.659 0.001 . 1 . . . . 51 ILE HD1 . 25087 1 701 . 1 1 51 51 ILE HD13 H 1 0.659 0.001 . 1 . . . . 51 ILE HD1 . 25087 1 702 . 1 1 51 51 ILE C C 13 172.793 0.002 . 1 . . . . 51 ILE C . 25087 1 703 . 1 1 51 51 ILE CA C 13 59.427 0.030 . 1 . . . . 51 ILE CA . 25087 1 704 . 1 1 51 51 ILE CB C 13 35.803 0.077 . 1 . . . . 51 ILE CB . 25087 1 705 . 1 1 51 51 ILE CG1 C 13 26.705 0.009 . 1 . . . . 51 ILE CG1 . 25087 1 706 . 1 1 51 51 ILE CG2 C 13 18.020 0.029 . 1 . . . . 51 ILE CG2 . 25087 1 707 . 1 1 51 51 ILE CD1 C 13 12.638 0.015 . 1 . . . . 51 ILE CD1 . 25087 1 708 . 1 1 51 51 ILE N N 15 128.547 0.012 . 1 . . . . 51 ILE N . 25087 1 709 . 1 1 52 52 ASP H H 1 7.218 0.001 . 1 . . . . 52 ASP H . 25087 1 710 . 1 1 52 52 ASP HA H 1 4.649 0.006 . 1 . . . . 52 ASP HA . 25087 1 711 . 1 1 52 52 ASP HB2 H 1 3.159 0.006 . 2 . . . . 52 ASP HB2 . 25087 1 712 . 1 1 52 52 ASP HB3 H 1 2.762 0.005 . 2 . . . . 52 ASP HB3 . 25087 1 713 . 1 1 52 52 ASP C C 13 175.978 0.003 . 1 . . . . 52 ASP C . 25087 1 714 . 1 1 52 52 ASP CA C 13 52.103 0.047 . 1 . . . . 52 ASP CA . 25087 1 715 . 1 1 52 52 ASP CB C 13 42.843 0.029 . 1 . . . . 52 ASP CB . 25087 1 716 . 1 1 52 52 ASP N N 15 121.707 0.005 . 1 . . . . 52 ASP N . 25087 1 717 . 1 1 53 53 ILE H H 1 8.835 0.001 . 1 . . . . 53 ILE H . 25087 1 718 . 1 1 53 53 ILE HA H 1 4.209 0.005 . 1 . . . . 53 ILE HA . 25087 1 719 . 1 1 53 53 ILE HB H 1 1.993 0.004 . 1 . . . . 53 ILE HB . 25087 1 720 . 1 1 53 53 ILE HG12 H 1 1.623 0.002 . 1 . . . . 53 ILE HG12 . 25087 1 721 . 1 1 53 53 ILE HG13 H 1 1.623 0.002 . 1 . . . . 53 ILE HG13 . 25087 1 722 . 1 1 53 53 ILE HG21 H 1 1.112 0.002 . 1 . . . . 53 ILE HG2 . 25087 1 723 . 1 1 53 53 ILE HG22 H 1 1.112 0.002 . 1 . . . . 53 ILE HG2 . 25087 1 724 . 1 1 53 53 ILE HG23 H 1 1.112 0.002 . 1 . . . . 53 ILE HG2 . 25087 1 725 . 1 1 53 53 ILE HD11 H 1 1.038 0.001 . 1 . . . . 53 ILE HD1 . 25087 1 726 . 1 1 53 53 ILE HD12 H 1 1.038 0.001 . 1 . . . . 53 ILE HD1 . 25087 1 727 . 1 1 53 53 ILE HD13 H 1 1.038 0.001 . 1 . . . . 53 ILE HD1 . 25087 1 728 . 1 1 53 53 ILE C C 13 177.158 0.004 . 1 . . . . 53 ILE C . 25087 1 729 . 1 1 53 53 ILE CA C 13 62.212 0.041 . 1 . . . . 53 ILE CA . 25087 1 730 . 1 1 53 53 ILE CB C 13 38.148 0.057 . 1 . . . . 53 ILE CB . 25087 1 731 . 1 1 53 53 ILE CG1 C 13 28.632 0.019 . 1 . . . . 53 ILE CG1 . 25087 1 732 . 1 1 53 53 ILE CG2 C 13 18.333 0.025 . 1 . . . . 53 ILE CG2 . 25087 1 733 . 1 1 53 53 ILE CD1 C 13 13.682 0.030 . 1 . . . . 53 ILE CD1 . 25087 1 734 . 1 1 53 53 ILE N N 15 119.502 0.009 . 1 . . . . 53 ILE N . 25087 1 735 . 1 1 54 54 LYS H H 1 8.156 0.001 . 1 . . . . 54 LYS H . 25087 1 736 . 1 1 54 54 LYS HA H 1 4.166 0.004 . 1 . . . . 54 LYS HA . 25087 1 737 . 1 1 54 54 LYS HB2 H 1 2.053 0.001 . 2 . . . . 54 LYS HB2 . 25087 1 738 . 1 1 54 54 LYS HB3 H 1 1.949 0.001 . 2 . . . . 54 LYS HB3 . 25087 1 739 . 1 1 54 54 LYS HG2 H 1 1.592 0.002 . 2 . . . . 54 LYS HG2 . 25087 1 740 . 1 1 54 54 LYS HG3 H 1 1.468 0.001 . 2 . . . . 54 LYS HG3 . 25087 1 741 . 1 1 54 54 LYS HD2 H 1 1.771 0.001 . 1 . . . . 54 LYS HD2 . 25087 1 742 . 1 1 54 54 LYS HD3 H 1 1.771 0.001 . 1 . . . . 54 LYS HD3 . 25087 1 743 . 1 1 54 54 LYS HE2 H 1 3.047 0.002 . 1 . . . . 54 LYS HE2 . 25087 1 744 . 1 1 54 54 LYS HE3 H 1 3.047 0.002 . 1 . . . . 54 LYS HE3 . 25087 1 745 . 1 1 54 54 LYS C C 13 180.696 0.015 . 1 . . . . 54 LYS C . 25087 1 746 . 1 1 54 54 LYS CA C 13 60.235 0.047 . 1 . . . . 54 LYS CA . 25087 1 747 . 1 1 54 54 LYS CB C 13 32.018 0.037 . 1 . . . . 54 LYS CB . 25087 1 748 . 1 1 54 54 LYS CG C 13 25.393 0.012 . 1 . . . . 54 LYS CG . 25087 1 749 . 1 1 54 54 LYS CD C 13 29.498 0.014 . 1 . . . . 54 LYS CD . 25087 1 750 . 1 1 54 54 LYS CE C 13 42.122 0.026 . 1 . . . . 54 LYS CE . 25087 1 751 . 1 1 54 54 LYS N N 15 123.623 0.012 . 1 . . . . 54 LYS N . 25087 1 752 . 1 1 55 55 ARG H H 1 9.266 0.001 . 1 . . . . 55 ARG H . 25087 1 753 . 1 1 55 55 ARG HA H 1 4.398 0.004 . 1 . . . . 55 ARG HA . 25087 1 754 . 1 1 55 55 ARG HD2 H 1 3.288 0.003 . 2 . . . . 55 ARG HD2 . 25087 1 755 . 1 1 55 55 ARG HD3 H 1 3.242 0.003 . 2 . . . . 55 ARG HD3 . 25087 1 756 . 1 1 55 55 ARG HE H 1 7.911 0.001 . 1 . . . . 55 ARG HE . 25087 1 757 . 1 1 55 55 ARG C C 13 179.321 0.017 . 1 . . . . 55 ARG C . 25087 1 758 . 1 1 55 55 ARG CA C 13 60.040 0.050 . 1 . . . . 55 ARG CA . 25087 1 759 . 1 1 55 55 ARG CB C 13 30.301 0.030 . 1 . . . . 55 ARG CB . 25087 1 760 . 1 1 55 55 ARG CD C 13 43.448 0.058 . 1 . . . . 55 ARG CD . 25087 1 761 . 1 1 55 55 ARG CZ C 13 159.652 0.002 . 1 . . . . 55 ARG CZ . 25087 1 762 . 1 1 55 55 ARG N N 15 120.428 0.008 . 1 . . . . 55 ARG N . 25087 1 763 . 1 1 55 55 ARG NE N 15 85.576 0.016 . 1 . . . . 55 ARG NE . 25087 1 764 . 1 1 56 56 TRP H H 1 8.956 0.003 . 1 . . . . 56 TRP H . 25087 1 765 . 1 1 56 56 TRP HA H 1 4.795 0.003 . 1 . . . . 56 TRP HA . 25087 1 766 . 1 1 56 56 TRP HB2 H 1 3.382 0.005 . 1 . . . . 56 TRP HB2 . 25087 1 767 . 1 1 56 56 TRP HB3 H 1 3.382 0.005 . 1 . . . . 56 TRP HB3 . 25087 1 768 . 1 1 56 56 TRP HD1 H 1 6.010 0.004 . 1 . . . . 56 TRP HD1 . 25087 1 769 . 1 1 56 56 TRP HE1 H 1 8.656 0.001 . 1 . . . . 56 TRP HE1 . 25087 1 770 . 1 1 56 56 TRP HE3 H 1 7.025 0.005 . 1 . . . . 56 TRP HE3 . 25087 1 771 . 1 1 56 56 TRP HZ2 H 1 7.481 0.004 . 1 . . . . 56 TRP HZ2 . 25087 1 772 . 1 1 56 56 TRP HZ3 H 1 6.211 0.002 . 1 . . . . 56 TRP HZ3 . 25087 1 773 . 1 1 56 56 TRP HH2 H 1 7.126 0.006 . 1 . . . . 56 TRP HH2 . 25087 1 774 . 1 1 56 56 TRP C C 13 180.181 0.004 . 1 . . . . 56 TRP C . 25087 1 775 . 1 1 56 56 TRP CA C 13 59.509 0.034 . 1 . . . . 56 TRP CA . 25087 1 776 . 1 1 56 56 TRP CB C 13 30.414 0.072 . 1 . . . . 56 TRP CB . 25087 1 777 . 1 1 56 56 TRP CD1 C 13 125.130 0.103 . 1 . . . . 56 TRP CD1 . 25087 1 778 . 1 1 56 56 TRP CE2 C 13 139.219 0.030 . 1 . . . . 56 TRP CE2 . 25087 1 779 . 1 1 56 56 TRP CE3 C 13 120.795 0.099 . 1 . . . . 56 TRP CE3 . 25087 1 780 . 1 1 56 56 TRP CZ2 C 13 113.708 0.073 . 1 . . . . 56 TRP CZ2 . 25087 1 781 . 1 1 56 56 TRP CZ3 C 13 121.016 0.039 . 1 . . . . 56 TRP CZ3 . 25087 1 782 . 1 1 56 56 TRP CH2 C 13 122.723 0.059 . 1 . . . . 56 TRP CH2 . 25087 1 783 . 1 1 56 56 TRP N N 15 120.688 0.009 . 1 . . . . 56 TRP N . 25087 1 784 . 1 1 56 56 TRP NE1 N 15 126.367 0.013 . 1 . . . . 56 TRP NE1 . 25087 1 785 . 1 1 57 57 ARG H H 1 9.289 0.001 . 1 . . . . 57 ARG H . 25087 1 786 . 1 1 57 57 ARG HA H 1 4.472 0.004 . 1 . . . . 57 ARG HA . 25087 1 787 . 1 1 57 57 ARG HB2 H 1 2.245 0.003 . 1 . . . . 57 ARG HB2 . 25087 1 788 . 1 1 57 57 ARG HB3 H 1 2.245 0.003 . 1 . . . . 57 ARG HB3 . 25087 1 789 . 1 1 57 57 ARG HG2 H 1 2.065 0.001 . 2 . . . . 57 ARG HG2 . 25087 1 790 . 1 1 57 57 ARG HG3 H 1 1.962 0.002 . 2 . . . . 57 ARG HG3 . 25087 1 791 . 1 1 57 57 ARG HD2 H 1 3.402 0.003 . 2 . . . . 57 ARG HD2 . 25087 1 792 . 1 1 57 57 ARG HD3 H 1 3.327 0.002 . 2 . . . . 57 ARG HD3 . 25087 1 793 . 1 1 57 57 ARG HE H 1 7.439 0.001 . 1 . . . . 57 ARG HE . 25087 1 794 . 1 1 57 57 ARG C C 13 178.280 0.010 . 1 . . . . 57 ARG C . 25087 1 795 . 1 1 57 57 ARG CA C 13 60.472 0.047 . 1 . . . . 57 ARG CA . 25087 1 796 . 1 1 57 57 ARG CB C 13 29.976 0.070 . 1 . . . . 57 ARG CB . 25087 1 797 . 1 1 57 57 ARG CG C 13 28.201 0.043 . 1 . . . . 57 ARG CG . 25087 1 798 . 1 1 57 57 ARG CD C 13 43.676 0.034 . 1 . . . . 57 ARG CD . 25087 1 799 . 1 1 57 57 ARG CZ C 13 159.698 0.002 . 1 . . . . 57 ARG CZ . 25087 1 800 . 1 1 57 57 ARG N N 15 122.255 0.009 . 1 . . . . 57 ARG N . 25087 1 801 . 1 1 57 57 ARG NE N 15 85.886 0.029 . 1 . . . . 57 ARG NE . 25087 1 802 . 1 1 58 58 ARG H H 1 7.675 0.002 . 1 . . . . 58 ARG H . 25087 1 803 . 1 1 58 58 ARG HA H 1 4.276 0.004 . 1 . . . . 58 ARG HA . 25087 1 804 . 1 1 58 58 ARG HB2 H 1 2.252 0.001 . 1 . . . . 58 ARG HB2 . 25087 1 805 . 1 1 58 58 ARG HB3 H 1 2.252 0.001 . 1 . . . . 58 ARG HB3 . 25087 1 806 . 1 1 58 58 ARG HG2 H 1 1.910 0.002 . 2 . . . . 58 ARG HG2 . 25087 1 807 . 1 1 58 58 ARG HG3 H 1 1.652 0.002 . 2 . . . . 58 ARG HG3 . 25087 1 808 . 1 1 58 58 ARG HD2 H 1 3.038 0.003 . 2 . . . . 58 ARG HD2 . 25087 1 809 . 1 1 58 58 ARG HD3 H 1 2.791 0.003 . 2 . . . . 58 ARG HD3 . 25087 1 810 . 1 1 58 58 ARG HE H 1 6.717 0.001 . 1 . . . . 58 ARG HE . 25087 1 811 . 1 1 58 58 ARG C C 13 179.662 0.003 . 1 . . . . 58 ARG C . 25087 1 812 . 1 1 58 58 ARG CA C 13 59.993 0.044 . 1 . . . . 58 ARG CA . 25087 1 813 . 1 1 58 58 ARG CB C 13 30.082 0.081 . 1 . . . . 58 ARG CB . 25087 1 814 . 1 1 58 58 ARG CG C 13 27.588 0.103 . 1 . . . . 58 ARG CG . 25087 1 815 . 1 1 58 58 ARG CD C 13 43.727 0.041 . 1 . . . . 58 ARG CD . 25087 1 816 . 1 1 58 58 ARG CZ C 13 158.985 0.002 . 1 . . . . 58 ARG CZ . 25087 1 817 . 1 1 58 58 ARG N N 15 120.698 0.024 . 1 . . . . 58 ARG N . 25087 1 818 . 1 1 58 58 ARG NE N 15 83.514 0.010 . 1 . . . . 58 ARG NE . 25087 1 819 . 1 1 59 59 VAL H H 1 7.858 0.002 . 1 . . . . 59 VAL H . 25087 1 820 . 1 1 59 59 VAL HA H 1 3.714 0.003 . 1 . . . . 59 VAL HA . 25087 1 821 . 1 1 59 59 VAL HB H 1 1.545 0.006 . 1 . . . . 59 VAL HB . 25087 1 822 . 1 1 59 59 VAL HG11 H 1 -0.360 0.001 . 2 . . . . 59 VAL HG1 . 25087 1 823 . 1 1 59 59 VAL HG12 H 1 -0.360 0.001 . 2 . . . . 59 VAL HG1 . 25087 1 824 . 1 1 59 59 VAL HG13 H 1 -0.360 0.001 . 2 . . . . 59 VAL HG1 . 25087 1 825 . 1 1 59 59 VAL HG21 H 1 0.477 0.001 . 2 . . . . 59 VAL HG2 . 25087 1 826 . 1 1 59 59 VAL HG22 H 1 0.477 0.001 . 2 . . . . 59 VAL HG2 . 25087 1 827 . 1 1 59 59 VAL HG23 H 1 0.477 0.001 . 2 . . . . 59 VAL HG2 . 25087 1 828 . 1 1 59 59 VAL C C 13 176.754 0.004 . 1 . . . . 59 VAL C . 25087 1 829 . 1 1 59 59 VAL CA C 13 66.262 0.030 . 1 . . . . 59 VAL CA . 25087 1 830 . 1 1 59 59 VAL CB C 13 31.199 0.070 . 1 . . . . 59 VAL CB . 25087 1 831 . 1 1 59 59 VAL CG1 C 13 20.789 0.026 . 2 . . . . 59 VAL CG1 . 25087 1 832 . 1 1 59 59 VAL CG2 C 13 22.988 0.026 . 2 . . . . 59 VAL CG2 . 25087 1 833 . 1 1 59 59 VAL N N 15 121.812 0.014 . 1 . . . . 59 VAL N . 25087 1 834 . 1 1 60 60 GLY H H 1 7.587 0.003 . 1 . . . . 60 GLY H . 25087 1 835 . 1 1 60 60 GLY HA2 H 1 2.297 0.004 . 2 . . . . 60 GLY HA2 . 25087 1 836 . 1 1 60 60 GLY HA3 H 1 2.622 0.006 . 2 . . . . 60 GLY HA3 . 25087 1 837 . 1 1 60 60 GLY C C 13 176.105 0.003 . 1 . . . . 60 GLY C . 25087 1 838 . 1 1 60 60 GLY CA C 13 46.319 0.035 . 1 . . . . 60 GLY CA . 25087 1 839 . 1 1 60 60 GLY N N 15 106.437 0.015 . 1 . . . . 60 GLY N . 25087 1 840 . 1 1 61 61 ASP H H 1 8.277 0.002 . 1 . . . . 61 ASP H . 25087 1 841 . 1 1 61 61 ASP HA H 1 4.302 0.001 . 1 . . . . 61 ASP HA . 25087 1 842 . 1 1 61 61 ASP HB2 H 1 2.811 0.003 . 2 . . . . 61 ASP HB2 . 25087 1 843 . 1 1 61 61 ASP HB3 H 1 2.757 0.001 . 2 . . . . 61 ASP HB3 . 25087 1 844 . 1 1 61 61 ASP C C 13 178.731 0.001 . 1 . . . . 61 ASP C . 25087 1 845 . 1 1 61 61 ASP CA C 13 57.232 0.046 . 1 . . . . 61 ASP CA . 25087 1 846 . 1 1 61 61 ASP CB C 13 40.043 0.068 . 1 . . . . 61 ASP CB . 25087 1 847 . 1 1 61 61 ASP N N 15 123.067 0.018 . 1 . . . . 61 ASP N . 25087 1 848 . 1 1 62 62 CYS H H 1 7.881 0.001 . 1 . . . . 62 CYS H . 25087 1 849 . 1 1 62 62 CYS HA H 1 4.260 0.003 . 1 . . . . 62 CYS HA . 25087 1 850 . 1 1 62 62 CYS HB2 H 1 3.201 0.003 . 2 . . . . 62 CYS HB2 . 25087 1 851 . 1 1 62 62 CYS HB3 H 1 2.904 0.004 . 2 . . . . 62 CYS HB3 . 25087 1 852 . 1 1 62 62 CYS HG H 1 1.947 0.002 . 1 . . . . 62 CYS HG . 25087 1 853 . 1 1 62 62 CYS C C 13 177.297 0.004 . 1 . . . . 62 CYS C . 25087 1 854 . 1 1 62 62 CYS CA C 13 62.596 0.033 . 1 . . . . 62 CYS CA . 25087 1 855 . 1 1 62 62 CYS CB C 13 26.464 0.035 . 1 . . . . 62 CYS CB . 25087 1 856 . 1 1 62 62 CYS N N 15 121.045 0.008 . 1 . . . . 62 CYS N . 25087 1 857 . 1 1 63 63 PHE H H 1 8.528 0.001 . 1 . . . . 63 PHE H . 25087 1 858 . 1 1 63 63 PHE HA H 1 4.454 0.003 . 1 . . . . 63 PHE HA . 25087 1 859 . 1 1 63 63 PHE HB2 H 1 2.866 0.005 . 2 . . . . 63 PHE HB2 . 25087 1 860 . 1 1 63 63 PHE HB3 H 1 3.449 0.002 . 2 . . . . 63 PHE HB3 . 25087 1 861 . 1 1 63 63 PHE HD1 H 1 6.714 0.001 . 3 . . . . 63 PHE HD1 . 25087 1 862 . 1 1 63 63 PHE HD2 H 1 6.714 0.001 . 3 . . . . 63 PHE HD2 . 25087 1 863 . 1 1 63 63 PHE HE1 H 1 7.241 0.003 . 3 . . . . 63 PHE HE1 . 25087 1 864 . 1 1 63 63 PHE HE2 H 1 7.241 0.003 . 3 . . . . 63 PHE HE2 . 25087 1 865 . 1 1 63 63 PHE HZ H 1 7.002 0.002 . 1 . . . . 63 PHE HZ . 25087 1 866 . 1 1 63 63 PHE C C 13 178.320 0.030 . 1 . . . . 63 PHE C . 25087 1 867 . 1 1 63 63 PHE CA C 13 57.901 0.049 . 1 . . . . 63 PHE CA . 25087 1 868 . 1 1 63 63 PHE CB C 13 36.930 0.030 . 1 . . . . 63 PHE CB . 25087 1 869 . 1 1 63 63 PHE CD1 C 13 128.703 0.044 . 1 . . . . 63 PHE CD1 . 25087 1 870 . 1 1 63 63 PHE CD2 C 13 128.703 0.044 . 1 . . . . 63 PHE CD2 . 25087 1 871 . 1 1 63 63 PHE CE1 C 13 131.151 0.019 . 1 . . . . 63 PHE CE1 . 25087 1 872 . 1 1 63 63 PHE CE2 C 13 131.151 0.019 . 1 . . . . 63 PHE CE2 . 25087 1 873 . 1 1 63 63 PHE CZ C 13 127.920 0.063 . 1 . . . . 63 PHE CZ . 25087 1 874 . 1 1 63 63 PHE N N 15 118.817 0.014 . 1 . . . . 63 PHE N . 25087 1 875 . 1 1 64 64 GLN H H 1 8.310 0.003 . 1 . . . . 64 GLN H . 25087 1 876 . 1 1 64 64 GLN HA H 1 4.242 0.003 . 1 . . . . 64 GLN HA . 25087 1 877 . 1 1 64 64 GLN HB2 H 1 2.274 0.003 . 1 . . . . 64 GLN HB2 . 25087 1 878 . 1 1 64 64 GLN HB3 H 1 2.274 0.003 . 1 . . . . 64 GLN HB3 . 25087 1 879 . 1 1 64 64 GLN HG2 H 1 2.449 0.003 . 1 . . . . 64 GLN HG2 . 25087 1 880 . 1 1 64 64 GLN HG3 H 1 2.449 0.003 . 1 . . . . 64 GLN HG3 . 25087 1 881 . 1 1 64 64 GLN HE21 H 1 7.472 0.001 . 2 . . . . 64 GLN HE21 . 25087 1 882 . 1 1 64 64 GLN HE22 H 1 6.819 0.001 . 2 . . . . 64 GLN HE22 . 25087 1 883 . 1 1 64 64 GLN C C 13 177.840 0.006 . 1 . . . . 64 GLN C . 25087 1 884 . 1 1 64 64 GLN CA C 13 59.506 0.020 . 1 . . . . 64 GLN CA . 25087 1 885 . 1 1 64 64 GLN CB C 13 28.559 0.003 . 1 . . . . 64 GLN CB . 25087 1 886 . 1 1 64 64 GLN CG C 13 33.382 0.030 . 1 . . . . 64 GLN CG . 25087 1 887 . 1 1 64 64 GLN CD C 13 179.738 0.009 . 1 . . . . 64 GLN CD . 25087 1 888 . 1 1 64 64 GLN N N 15 118.805 0.016 . 1 . . . . 64 GLN N . 25087 1 889 . 1 1 64 64 GLN NE2 N 15 112.073 0.003 . 1 . . . . 64 GLN NE2 . 25087 1 890 . 1 1 65 65 ASP H H 1 8.283 0.003 . 1 . . . . 65 ASP H . 25087 1 891 . 1 1 65 65 ASP HA H 1 4.571 0.004 . 1 . . . . 65 ASP HA . 25087 1 892 . 1 1 65 65 ASP HB2 H 1 2.868 0.002 . 1 . . . . 65 ASP HB2 . 25087 1 893 . 1 1 65 65 ASP HB3 H 1 2.868 0.002 . 1 . . . . 65 ASP HB3 . 25087 1 894 . 1 1 65 65 ASP C C 13 179.488 0.003 . 1 . . . . 65 ASP C . 25087 1 895 . 1 1 65 65 ASP CA C 13 57.735 0.059 . 1 . . . . 65 ASP CA . 25087 1 896 . 1 1 65 65 ASP CB C 13 41.170 0.106 . 1 . . . . 65 ASP CB . 25087 1 897 . 1 1 65 65 ASP N N 15 120.231 0.019 . 1 . . . . 65 ASP N . 25087 1 898 . 1 1 66 66 TYR H H 1 8.967 0.003 . 1 . . . . 66 TYR H . 25087 1 899 . 1 1 66 66 TYR HA H 1 4.669 0.006 . 1 . . . . 66 TYR HA . 25087 1 900 . 1 1 66 66 TYR HB2 H 1 3.441 0.009 . 2 . . . . 66 TYR HB2 . 25087 1 901 . 1 1 66 66 TYR HB3 H 1 3.173 0.003 . 2 . . . . 66 TYR HB3 . 25087 1 902 . 1 1 66 66 TYR HD1 H 1 7.173 0.005 . 3 . . . . 66 TYR HD1 . 25087 1 903 . 1 1 66 66 TYR HD2 H 1 7.173 0.005 . 3 . . . . 66 TYR HD2 . 25087 1 904 . 1 1 66 66 TYR HE1 H 1 6.934 0.003 . 3 . . . . 66 TYR HE1 . 25087 1 905 . 1 1 66 66 TYR HE2 H 1 6.934 0.003 . 3 . . . . 66 TYR HE2 . 25087 1 906 . 1 1 66 66 TYR C C 13 178.761 0.030 . 1 . . . . 66 TYR C . 25087 1 907 . 1 1 66 66 TYR CA C 13 60.315 0.037 . 1 . . . . 66 TYR CA . 25087 1 908 . 1 1 66 66 TYR CB C 13 38.132 0.070 . 1 . . . . 66 TYR CB . 25087 1 909 . 1 1 66 66 TYR CD1 C 13 131.753 0.030 . 1 . . . . 66 TYR CD1 . 25087 1 910 . 1 1 66 66 TYR CD2 C 13 131.753 0.030 . 1 . . . . 66 TYR CD2 . 25087 1 911 . 1 1 66 66 TYR CE1 C 13 118.698 0.017 . 1 . . . . 66 TYR CE1 . 25087 1 912 . 1 1 66 66 TYR CE2 C 13 118.698 0.017 . 1 . . . . 66 TYR CE2 . 25087 1 913 . 1 1 66 66 TYR N N 15 120.502 0.014 . 1 . . . . 66 TYR N . 25087 1 914 . 1 1 67 67 PHE H H 1 9.191 0.002 . 1 . . . . 67 PHE H . 25087 1 915 . 1 1 67 67 PHE HA H 1 4.191 0.002 . 1 . . . . 67 PHE HA . 25087 1 916 . 1 1 67 67 PHE HB2 H 1 3.419 0.004 . 2 . . . . 67 PHE HB2 . 25087 1 917 . 1 1 67 67 PHE HB3 H 1 3.519 0.006 . 2 . . . . 67 PHE HB3 . 25087 1 918 . 1 1 67 67 PHE HD1 H 1 7.464 0.003 . 3 . . . . 67 PHE HD1 . 25087 1 919 . 1 1 67 67 PHE HD2 H 1 7.464 0.003 . 3 . . . . 67 PHE HD2 . 25087 1 920 . 1 1 67 67 PHE HE1 H 1 7.366 0.003 . 3 . . . . 67 PHE HE1 . 25087 1 921 . 1 1 67 67 PHE HE2 H 1 7.366 0.003 . 3 . . . . 67 PHE HE2 . 25087 1 922 . 1 1 67 67 PHE HZ H 1 7.366 0.003 . 1 . . . . 67 PHE HZ . 25087 1 923 . 1 1 67 67 PHE C C 13 178.296 0.009 . 1 . . . . 67 PHE C . 25087 1 924 . 1 1 67 67 PHE CA C 13 62.000 0.027 . 1 . . . . 67 PHE CA . 25087 1 925 . 1 1 67 67 PHE CB C 13 40.093 0.045 . 1 . . . . 67 PHE CB . 25087 1 926 . 1 1 67 67 PHE N N 15 122.616 0.015 . 1 . . . . 67 PHE N . 25087 1 927 . 1 1 68 68 ASN H H 1 8.856 0.002 . 1 . . . . 68 ASN H . 25087 1 928 . 1 1 68 68 ASN HA H 1 4.426 0.001 . 1 . . . . 68 ASN HA . 25087 1 929 . 1 1 68 68 ASN HB2 H 1 3.158 0.010 . 2 . . . . 68 ASN HB2 . 25087 1 930 . 1 1 68 68 ASN HB3 H 1 2.953 0.005 . 2 . . . . 68 ASN HB3 . 25087 1 931 . 1 1 68 68 ASN HD21 H 1 7.811 0.001 . 2 . . . . 68 ASN HD21 . 25087 1 932 . 1 1 68 68 ASN HD22 H 1 7.041 0.001 . 2 . . . . 68 ASN HD22 . 25087 1 933 . 1 1 68 68 ASN C C 13 176.802 0.008 . 1 . . . . 68 ASN C . 25087 1 934 . 1 1 68 68 ASN CA C 13 55.664 0.042 . 1 . . . . 68 ASN CA . 25087 1 935 . 1 1 68 68 ASN CB C 13 38.217 0.051 . 1 . . . . 68 ASN CB . 25087 1 936 . 1 1 68 68 ASN CG C 13 176.459 0.012 . 1 . . . . 68 ASN CG . 25087 1 937 . 1 1 68 68 ASN N N 15 118.741 0.013 . 1 . . . . 68 ASN N . 25087 1 938 . 1 1 68 68 ASN ND2 N 15 111.736 0.017 . 1 . . . . 68 ASN ND2 . 25087 1 939 . 1 1 69 69 THR H H 1 7.971 0.001 . 1 . . . . 69 THR H . 25087 1 940 . 1 1 69 69 THR HA H 1 3.943 0.007 . 1 . . . . 69 THR HA . 25087 1 941 . 1 1 69 69 THR HB H 1 3.669 0.007 . 1 . . . . 69 THR HB . 25087 1 942 . 1 1 69 69 THR HG21 H 1 0.382 0.001 . 1 . . . . 69 THR HG2 . 25087 1 943 . 1 1 69 69 THR HG22 H 1 0.382 0.001 . 1 . . . . 69 THR HG2 . 25087 1 944 . 1 1 69 69 THR HG23 H 1 0.382 0.001 . 1 . . . . 69 THR HG2 . 25087 1 945 . 1 1 69 69 THR C C 13 175.010 0.008 . 1 . . . . 69 THR C . 25087 1 946 . 1 1 69 69 THR CA C 13 65.499 0.023 . 1 . . . . 69 THR CA . 25087 1 947 . 1 1 69 69 THR CB C 13 69.686 0.030 . 1 . . . . 69 THR CB . 25087 1 948 . 1 1 69 69 THR CG2 C 13 20.850 0.013 . 1 . . . . 69 THR CG2 . 25087 1 949 . 1 1 69 69 THR N N 15 114.120 0.011 . 1 . . . . 69 THR N . 25087 1 950 . 1 1 70 70 PHE H H 1 8.614 0.001 . 1 . . . . 70 PHE H . 25087 1 951 . 1 1 70 70 PHE HA H 1 4.687 0.002 . 1 . . . . 70 PHE HA . 25087 1 952 . 1 1 70 70 PHE HB2 H 1 3.245 0.003 . 2 . . . . 70 PHE HB2 . 25087 1 953 . 1 1 70 70 PHE HB3 H 1 2.773 0.005 . 2 . . . . 70 PHE HB3 . 25087 1 954 . 1 1 70 70 PHE HD1 H 1 7.255 0.003 . 3 . . . . 70 PHE HD1 . 25087 1 955 . 1 1 70 70 PHE HD2 H 1 7.255 0.003 . 3 . . . . 70 PHE HD2 . 25087 1 956 . 1 1 70 70 PHE HE1 H 1 7.247 0.003 . 3 . . . . 70 PHE HE1 . 25087 1 957 . 1 1 70 70 PHE HE2 H 1 7.247 0.003 . 3 . . . . 70 PHE HE2 . 25087 1 958 . 1 1 70 70 PHE HZ H 1 7.309 0.003 . 1 . . . . 70 PHE HZ . 25087 1 959 . 1 1 70 70 PHE C C 13 176.687 0.001 . 1 . . . . 70 PHE C . 25087 1 960 . 1 1 70 70 PHE CA C 13 58.726 0.034 . 1 . . . . 70 PHE CA . 25087 1 961 . 1 1 70 70 PHE CB C 13 41.330 0.041 . 1 . . . . 70 PHE CB . 25087 1 962 . 1 1 70 70 PHE N N 15 118.058 0.019 . 1 . . . . 70 PHE N . 25087 1 963 . 1 1 71 71 GLY H H 1 7.963 0.001 . 1 . . . . 71 GLY H . 25087 1 964 . 1 1 71 71 GLY HA2 H 1 4.315 0.005 . 2 . . . . 71 GLY HA2 . 25087 1 965 . 1 1 71 71 GLY HA3 H 1 3.470 0.004 . 2 . . . . 71 GLY HA3 . 25087 1 966 . 1 1 71 71 GLY C C 13 172.301 0.003 . 1 . . . . 71 GLY C . 25087 1 967 . 1 1 71 71 GLY CA C 13 45.083 0.024 . 1 . . . . 71 GLY CA . 25087 1 968 . 1 1 71 71 GLY N N 15 109.257 0.013 . 1 . . . . 71 GLY N . 25087 1 969 . 1 1 72 72 PRO HA H 1 4.815 0.001 . 1 . . . . 72 PRO HA . 25087 1 970 . 1 1 72 72 PRO HB2 H 1 2.489 0.003 . 2 . . . . 72 PRO HB2 . 25087 1 971 . 1 1 72 72 PRO HB3 H 1 2.123 0.004 . 2 . . . . 72 PRO HB3 . 25087 1 972 . 1 1 72 72 PRO HG2 H 1 2.100 0.001 . 1 . . . . 72 PRO HG2 . 25087 1 973 . 1 1 72 72 PRO HG3 H 1 2.100 0.001 . 1 . . . . 72 PRO HG3 . 25087 1 974 . 1 1 72 72 PRO HD2 H 1 3.814 0.004 . 2 . . . . 72 PRO HD2 . 25087 1 975 . 1 1 72 72 PRO HD3 H 1 3.320 0.001 . 2 . . . . 72 PRO HD3 . 25087 1 976 . 1 1 72 72 PRO C C 13 177.856 0.009 . 1 . . . . 72 PRO C . 25087 1 977 . 1 1 72 72 PRO CA C 13 63.666 0.024 . 1 . . . . 72 PRO CA . 25087 1 978 . 1 1 72 72 PRO CB C 13 32.253 0.063 . 1 . . . . 72 PRO CB . 25087 1 979 . 1 1 72 72 PRO CG C 13 27.131 0.045 . 1 . . . . 72 PRO CG . 25087 1 980 . 1 1 72 72 PRO CD C 13 50.276 0.027 . 1 . . . . 72 PRO CD . 25087 1 981 . 1 1 72 72 PRO N N 15 131.854 0.020 . 1 . . . . 72 PRO N . 25087 1 982 . 1 1 73 73 GLU H H 1 8.621 0.001 . 1 . . . . 73 GLU H . 25087 1 983 . 1 1 73 73 GLU HA H 1 4.106 0.004 . 1 . . . . 73 GLU HA . 25087 1 984 . 1 1 73 73 GLU HB2 H 1 2.040 0.001 . 2 . . . . 73 GLU HB2 . 25087 1 985 . 1 1 73 73 GLU HB3 H 1 2.037 0.006 . 2 . . . . 73 GLU HB3 . 25087 1 986 . 1 1 73 73 GLU HG2 H 1 2.311 0.003 . 1 . . . . 73 GLU HG2 . 25087 1 987 . 1 1 73 73 GLU HG3 H 1 2.311 0.003 . 1 . . . . 73 GLU HG3 . 25087 1 988 . 1 1 73 73 GLU C C 13 177.360 0.002 . 1 . . . . 73 GLU C . 25087 1 989 . 1 1 73 73 GLU CA C 13 58.568 0.011 . 1 . . . . 73 GLU CA . 25087 1 990 . 1 1 73 73 GLU CB C 13 29.292 0.055 . 1 . . . . 73 GLU CB . 25087 1 991 . 1 1 73 73 GLU CG C 13 36.749 0.058 . 1 . . . . 73 GLU CG . 25087 1 992 . 1 1 73 73 GLU N N 15 117.487 0.012 . 1 . . . . 73 GLU N . 25087 1 993 . 1 1 74 74 LYS H H 1 7.571 0.003 . 1 . . . . 74 LYS H . 25087 1 994 . 1 1 74 74 LYS HA H 1 4.464 0.004 . 1 . . . . 74 LYS HA . 25087 1 995 . 1 1 74 74 LYS HB2 H 1 1.664 0.002 . 2 . . . . 74 LYS HB2 . 25087 1 996 . 1 1 74 74 LYS HB3 H 1 2.017 0.002 . 2 . . . . 74 LYS HB3 . 25087 1 997 . 1 1 74 74 LYS HG2 H 1 1.353 0.003 . 2 . . . . 74 LYS HG2 . 25087 1 998 . 1 1 74 74 LYS HG3 H 1 1.277 0.002 . 2 . . . . 74 LYS HG3 . 25087 1 999 . 1 1 74 74 LYS HD2 H 1 1.550 0.001 . 2 . . . . 74 LYS HD2 . 25087 1 1000 . 1 1 74 74 LYS HD3 H 1 1.364 0.002 . 2 . . . . 74 LYS HD3 . 25087 1 1001 . 1 1 74 74 LYS HE2 H 1 2.485 0.002 . 2 . . . . 74 LYS HE2 . 25087 1 1002 . 1 1 74 74 LYS HE3 H 1 2.418 0.002 . 2 . . . . 74 LYS HE3 . 25087 1 1003 . 1 1 74 74 LYS C C 13 175.864 0.005 . 1 . . . . 74 LYS C . 25087 1 1004 . 1 1 74 74 LYS CA C 13 55.576 0.014 . 1 . . . . 74 LYS CA . 25087 1 1005 . 1 1 74 74 LYS CB C 13 34.425 0.043 . 1 . . . . 74 LYS CB . 25087 1 1006 . 1 1 74 74 LYS CG C 13 25.236 0.044 . 1 . . . . 74 LYS CG . 25087 1 1007 . 1 1 74 74 LYS CD C 13 28.278 0.021 . 1 . . . . 74 LYS CD . 25087 1 1008 . 1 1 74 74 LYS CE C 13 41.846 0.023 . 1 . . . . 74 LYS CE . 25087 1 1009 . 1 1 74 74 LYS N N 15 116.812 0.001 . 1 . . . . 74 LYS N . 25087 1 1010 . 1 1 75 75 VAL H H 1 7.445 0.002 . 1 . . . . 75 VAL H . 25087 1 1011 . 1 1 75 75 VAL HA H 1 4.507 0.004 . 1 . . . . 75 VAL HA . 25087 1 1012 . 1 1 75 75 VAL HB H 1 2.302 0.004 . 1 . . . . 75 VAL HB . 25087 1 1013 . 1 1 75 75 VAL HG11 H 1 1.199 0.003 . 2 . . . . 75 VAL HG1 . 25087 1 1014 . 1 1 75 75 VAL HG12 H 1 1.199 0.003 . 2 . . . . 75 VAL HG1 . 25087 1 1015 . 1 1 75 75 VAL HG13 H 1 1.199 0.003 . 2 . . . . 75 VAL HG1 . 25087 1 1016 . 1 1 75 75 VAL HG21 H 1 0.577 0.002 . 2 . . . . 75 VAL HG2 . 25087 1 1017 . 1 1 75 75 VAL HG22 H 1 0.577 0.002 . 2 . . . . 75 VAL HG2 . 25087 1 1018 . 1 1 75 75 VAL HG23 H 1 0.577 0.002 . 2 . . . . 75 VAL HG2 . 25087 1 1019 . 1 1 75 75 VAL C C 13 171.389 0.006 . 1 . . . . 75 VAL C . 25087 1 1020 . 1 1 75 75 VAL CA C 13 58.693 0.033 . 1 . . . . 75 VAL CA . 25087 1 1021 . 1 1 75 75 VAL CB C 13 33.972 0.013 . 1 . . . . 75 VAL CB . 25087 1 1022 . 1 1 75 75 VAL CG1 C 13 21.575 0.023 . 2 . . . . 75 VAL CG1 . 25087 1 1023 . 1 1 75 75 VAL CG2 C 13 21.332 0.011 . 2 . . . . 75 VAL CG2 . 25087 1 1024 . 1 1 75 75 VAL N N 15 118.046 0.007 . 1 . . . . 75 VAL N . 25087 1 1025 . 1 1 76 76 PRO HA H 1 4.620 0.005 . 1 . . . . 76 PRO HA . 25087 1 1026 . 1 1 76 76 PRO HB2 H 1 1.816 0.004 . 2 . . . . 76 PRO HB2 . 25087 1 1027 . 1 1 76 76 PRO HB3 H 1 2.280 0.005 . 2 . . . . 76 PRO HB3 . 25087 1 1028 . 1 1 76 76 PRO HG2 H 1 1.768 0.002 . 2 . . . . 76 PRO HG2 . 25087 1 1029 . 1 1 76 76 PRO HG3 H 1 1.584 0.001 . 2 . . . . 76 PRO HG3 . 25087 1 1030 . 1 1 76 76 PRO HD2 H 1 2.821 0.003 . 2 . . . . 76 PRO HD2 . 25087 1 1031 . 1 1 76 76 PRO HD3 H 1 3.327 0.003 . 2 . . . . 76 PRO HD3 . 25087 1 1032 . 1 1 76 76 PRO C C 13 178.780 0.001 . 1 . . . . 76 PRO C . 25087 1 1033 . 1 1 76 76 PRO CA C 13 62.230 0.030 . 1 . . . . 76 PRO CA . 25087 1 1034 . 1 1 76 76 PRO CB C 13 32.352 0.055 . 1 . . . . 76 PRO CB . 25087 1 1035 . 1 1 76 76 PRO CG C 13 27.156 0.060 . 1 . . . . 76 PRO CG . 25087 1 1036 . 1 1 76 76 PRO CD C 13 50.427 0.025 . 1 . . . . 76 PRO CD . 25087 1 1037 . 1 1 76 76 PRO N N 15 135.967 0.020 . 1 . . . . 76 PRO N . 25087 1 1038 . 1 1 77 77 VAL H H 1 8.641 0.003 . 1 . . . . 77 VAL H . 25087 1 1039 . 1 1 77 77 VAL HA H 1 3.954 0.006 . 1 . . . . 77 VAL HA . 25087 1 1040 . 1 1 77 77 VAL HB H 1 2.258 0.007 . 1 . . . . 77 VAL HB . 25087 1 1041 . 1 1 77 77 VAL HG11 H 1 1.105 0.003 . 1 . . . . 77 VAL HG1 . 25087 1 1042 . 1 1 77 77 VAL HG12 H 1 1.105 0.003 . 1 . . . . 77 VAL HG1 . 25087 1 1043 . 1 1 77 77 VAL HG13 H 1 1.105 0.003 . 1 . . . . 77 VAL HG1 . 25087 1 1044 . 1 1 77 77 VAL HG21 H 1 1.105 0.003 . 1 . . . . 77 VAL HG2 . 25087 1 1045 . 1 1 77 77 VAL HG22 H 1 1.105 0.003 . 1 . . . . 77 VAL HG2 . 25087 1 1046 . 1 1 77 77 VAL HG23 H 1 1.105 0.003 . 1 . . . . 77 VAL HG2 . 25087 1 1047 . 1 1 77 77 VAL C C 13 178.529 0.007 . 1 . . . . 77 VAL C . 25087 1 1048 . 1 1 77 77 VAL CA C 13 65.642 0.029 . 1 . . . . 77 VAL CA . 25087 1 1049 . 1 1 77 77 VAL CB C 13 31.632 0.093 . 1 . . . . 77 VAL CB . 25087 1 1050 . 1 1 77 77 VAL CG1 C 13 21.153 0.022 . 1 . . . . 77 VAL CG1 . 25087 1 1051 . 1 1 77 77 VAL CG2 C 13 21.153 0.022 . 1 . . . . 77 VAL CG2 . 25087 1 1052 . 1 1 77 77 VAL N N 15 119.399 0.007 . 1 . . . . 77 VAL N . 25087 1 1053 . 1 1 78 78 THR H H 1 7.404 0.001 . 1 . . . . 78 THR H . 25087 1 1054 . 1 1 78 78 THR HA H 1 3.983 0.004 . 1 . . . . 78 THR HA . 25087 1 1055 . 1 1 78 78 THR HB H 1 4.044 0.003 . 1 . . . . 78 THR HB . 25087 1 1056 . 1 1 78 78 THR HG21 H 1 1.225 0.001 . 1 . . . . 78 THR HG2 . 25087 1 1057 . 1 1 78 78 THR HG22 H 1 1.225 0.001 . 1 . . . . 78 THR HG2 . 25087 1 1058 . 1 1 78 78 THR HG23 H 1 1.225 0.001 . 1 . . . . 78 THR HG2 . 25087 1 1059 . 1 1 78 78 THR C C 13 175.989 0.001 . 1 . . . . 78 THR C . 25087 1 1060 . 1 1 78 78 THR CA C 13 63.119 0.027 . 1 . . . . 78 THR CA . 25087 1 1061 . 1 1 78 78 THR CB C 13 68.445 0.042 . 1 . . . . 78 THR CB . 25087 1 1062 . 1 1 78 78 THR CG2 C 13 22.310 0.042 . 1 . . . . 78 THR CG2 . 25087 1 1063 . 1 1 78 78 THR N N 15 109.224 0.010 . 1 . . . . 78 THR N . 25087 1 1064 . 1 1 79 79 ALA H H 1 7.899 0.001 . 1 . . . . 79 ALA H . 25087 1 1065 . 1 1 79 79 ALA HA H 1 4.093 0.004 . 1 . . . . 79 ALA HA . 25087 1 1066 . 1 1 79 79 ALA HB1 H 1 0.840 0.004 . 1 . . . . 79 ALA HB . 25087 1 1067 . 1 1 79 79 ALA HB2 H 1 0.840 0.004 . 1 . . . . 79 ALA HB . 25087 1 1068 . 1 1 79 79 ALA HB3 H 1 0.840 0.004 . 1 . . . . 79 ALA HB . 25087 1 1069 . 1 1 79 79 ALA C C 13 179.771 0.001 . 1 . . . . 79 ALA C . 25087 1 1070 . 1 1 79 79 ALA CA C 13 55.227 0.054 . 1 . . . . 79 ALA CA . 25087 1 1071 . 1 1 79 79 ALA CB C 13 17.624 0.061 . 1 . . . . 79 ALA CB . 25087 1 1072 . 1 1 79 79 ALA N N 15 123.937 0.011 . 1 . . . . 79 ALA N . 25087 1 1073 . 1 1 80 80 PHE H H 1 7.302 0.002 . 1 . . . . 80 PHE H . 25087 1 1074 . 1 1 80 80 PHE HA H 1 4.462 0.003 . 1 . . . . 80 PHE HA . 25087 1 1075 . 1 1 80 80 PHE HB2 H 1 3.317 0.006 . 2 . . . . 80 PHE HB2 . 25087 1 1076 . 1 1 80 80 PHE HB3 H 1 3.000 0.005 . 2 . . . . 80 PHE HB3 . 25087 1 1077 . 1 1 80 80 PHE HD1 H 1 7.265 0.003 . 3 . . . . 80 PHE HD1 . 25087 1 1078 . 1 1 80 80 PHE HD2 H 1 7.265 0.003 . 3 . . . . 80 PHE HD2 . 25087 1 1079 . 1 1 80 80 PHE HE1 H 1 6.833 0.003 . 3 . . . . 80 PHE HE1 . 25087 1 1080 . 1 1 80 80 PHE HE2 H 1 6.833 0.003 . 3 . . . . 80 PHE HE2 . 25087 1 1081 . 1 1 80 80 PHE HZ H 1 6.833 0.003 . 1 . . . . 80 PHE HZ . 25087 1 1082 . 1 1 80 80 PHE C C 13 178.732 0.005 . 1 . . . . 80 PHE C . 25087 1 1083 . 1 1 80 80 PHE CA C 13 61.938 0.039 . 1 . . . . 80 PHE CA . 25087 1 1084 . 1 1 80 80 PHE CB C 13 38.183 0.045 . 1 . . . . 80 PHE CB . 25087 1 1085 . 1 1 80 80 PHE N N 15 114.087 0.015 . 1 . . . . 80 PHE N . 25087 1 1086 . 1 1 81 81 SER H H 1 7.699 0.003 . 1 . . . . 81 SER H . 25087 1 1087 . 1 1 81 81 SER HA H 1 4.429 0.003 . 1 . . . . 81 SER HA . 25087 1 1088 . 1 1 81 81 SER HB2 H 1 3.803 0.003 . 1 . . . . 81 SER HB2 . 25087 1 1089 . 1 1 81 81 SER HB3 H 1 3.803 0.003 . 1 . . . . 81 SER HB3 . 25087 1 1090 . 1 1 81 81 SER C C 13 178.506 0.030 . 1 . . . . 81 SER C . 25087 1 1091 . 1 1 81 81 SER CA C 13 61.488 0.023 . 1 . . . . 81 SER CA . 25087 1 1092 . 1 1 81 81 SER CB C 13 62.097 0.055 . 1 . . . . 81 SER CB . 25087 1 1093 . 1 1 81 81 SER N N 15 116.743 0.014 . 1 . . . . 81 SER N . 25087 1 1094 . 1 1 82 82 TYR H H 1 8.127 0.001 . 1 . . . . 82 TYR H . 25087 1 1095 . 1 1 82 82 TYR HA H 1 4.153 0.004 . 1 . . . . 82 TYR HA . 25087 1 1096 . 1 1 82 82 TYR HB2 H 1 1.619 0.005 . 1 . . . . 82 TYR HB2 . 25087 1 1097 . 1 1 82 82 TYR HB3 H 1 1.619 0.005 . 1 . . . . 82 TYR HB3 . 25087 1 1098 . 1 1 82 82 TYR HD1 H 1 6.735 0.002 . 3 . . . . 82 TYR HD1 . 25087 1 1099 . 1 1 82 82 TYR HD2 H 1 6.735 0.002 . 3 . . . . 82 TYR HD2 . 25087 1 1100 . 1 1 82 82 TYR HE1 H 1 6.582 0.002 . 3 . . . . 82 TYR HE1 . 25087 1 1101 . 1 1 82 82 TYR HE2 H 1 6.582 0.002 . 3 . . . . 82 TYR HE2 . 25087 1 1102 . 1 1 82 82 TYR C C 13 177.882 0.001 . 1 . . . . 82 TYR C . 25087 1 1103 . 1 1 82 82 TYR CA C 13 60.792 0.024 . 1 . . . . 82 TYR CA . 25087 1 1104 . 1 1 82 82 TYR CB C 13 34.438 0.060 . 1 . . . . 82 TYR CB . 25087 1 1105 . 1 1 82 82 TYR CD1 C 13 132.059 0.022 . 1 . . . . 82 TYR CD1 . 25087 1 1106 . 1 1 82 82 TYR CD2 C 13 132.059 0.022 . 1 . . . . 82 TYR CD2 . 25087 1 1107 . 1 1 82 82 TYR CE1 C 13 117.445 0.059 . 1 . . . . 82 TYR CE1 . 25087 1 1108 . 1 1 82 82 TYR CE2 C 13 117.445 0.059 . 1 . . . . 82 TYR CE2 . 25087 1 1109 . 1 1 82 82 TYR N N 15 121.760 0.012 . 1 . . . . 82 TYR N . 25087 1 1110 . 1 1 83 83 TRP H H 1 8.672 0.001 . 1 . . . . 83 TRP H . 25087 1 1111 . 1 1 83 83 TRP HA H 1 4.489 0.005 . 1 . . . . 83 TRP HA . 25087 1 1112 . 1 1 83 83 TRP HB2 H 1 3.684 0.002 . 2 . . . . 83 TRP HB2 . 25087 1 1113 . 1 1 83 83 TRP HB3 H 1 3.962 0.010 . 2 . . . . 83 TRP HB3 . 25087 1 1114 . 1 1 83 83 TRP HD1 H 1 5.831 0.005 . 1 . . . . 83 TRP HD1 . 25087 1 1115 . 1 1 83 83 TRP HE1 H 1 8.086 0.001 . 1 . . . . 83 TRP HE1 . 25087 1 1116 . 1 1 83 83 TRP HE3 H 1 7.340 0.001 . 1 . . . . 83 TRP HE3 . 25087 1 1117 . 1 1 83 83 TRP HZ2 H 1 7.136 0.004 . 1 . . . . 83 TRP HZ2 . 25087 1 1118 . 1 1 83 83 TRP HZ3 H 1 7.839 0.003 . 1 . . . . 83 TRP HZ3 . 25087 1 1119 . 1 1 83 83 TRP C C 13 179.630 0.007 . 1 . . . . 83 TRP C . 25087 1 1120 . 1 1 83 83 TRP CA C 13 64.122 0.044 . 1 . . . . 83 TRP CA . 25087 1 1121 . 1 1 83 83 TRP CB C 13 28.686 0.027 . 1 . . . . 83 TRP CB . 25087 1 1122 . 1 1 83 83 TRP CD1 C 13 125.864 0.033 . 1 . . . . 83 TRP CD1 . 25087 1 1123 . 1 1 83 83 TRP CE2 C 13 138.365 0.030 . 1 . . . . 83 TRP CE2 . 25087 1 1124 . 1 1 83 83 TRP CE3 C 13 125.008 0.030 . 1 . . . . 83 TRP CE3 . 25087 1 1125 . 1 1 83 83 TRP CZ2 C 13 113.558 0.036 . 1 . . . . 83 TRP CZ2 . 25087 1 1126 . 1 1 83 83 TRP CZ3 C 13 121.184 0.110 . 1 . . . . 83 TRP CZ3 . 25087 1 1127 . 1 1 83 83 TRP N N 15 120.708 0.010 . 1 . . . . 83 TRP N . 25087 1 1128 . 1 1 83 83 TRP NE1 N 15 127.207 0.007 . 1 . . . . 83 TRP NE1 . 25087 1 1129 . 1 1 84 84 ASN H H 1 8.408 0.002 . 1 . . . . 84 ASN H . 25087 1 1130 . 1 1 84 84 ASN HA H 1 4.287 0.007 . 1 . . . . 84 ASN HA . 25087 1 1131 . 1 1 84 84 ASN HB2 H 1 3.131 0.002 . 2 . . . . 84 ASN HB2 . 25087 1 1132 . 1 1 84 84 ASN HB3 H 1 2.963 0.003 . 2 . . . . 84 ASN HB3 . 25087 1 1133 . 1 1 84 84 ASN HD21 H 1 7.687 0.002 . 2 . . . . 84 ASN HD21 . 25087 1 1134 . 1 1 84 84 ASN HD22 H 1 7.201 0.002 . 2 . . . . 84 ASN HD22 . 25087 1 1135 . 1 1 84 84 ASN C C 13 176.278 0.001 . 1 . . . . 84 ASN C . 25087 1 1136 . 1 1 84 84 ASN CA C 13 57.101 0.018 . 1 . . . . 84 ASN CA . 25087 1 1137 . 1 1 84 84 ASN CB C 13 39.501 0.047 . 1 . . . . 84 ASN CB . 25087 1 1138 . 1 1 84 84 ASN CG C 13 176.046 0.009 . 1 . . . . 84 ASN CG . 25087 1 1139 . 1 1 84 84 ASN N N 15 119.277 0.016 . 1 . . . . 84 ASN N . 25087 1 1140 . 1 1 84 84 ASN ND2 N 15 113.901 0.015 . 1 . . . . 84 ASN ND2 . 25087 1 1141 . 1 1 85 85 LEU H H 1 7.782 0.002 . 1 . . . . 85 LEU H . 25087 1 1142 . 1 1 85 85 LEU HA H 1 4.109 0.002 . 1 . . . . 85 LEU HA . 25087 1 1143 . 1 1 85 85 LEU HB2 H 1 1.930 0.004 . 2 . . . . 85 LEU HB2 . 25087 1 1144 . 1 1 85 85 LEU HB3 H 1 1.794 0.004 . 2 . . . . 85 LEU HB3 . 25087 1 1145 . 1 1 85 85 LEU HG H 1 1.623 0.001 . 1 . . . . 85 LEU HG . 25087 1 1146 . 1 1 85 85 LEU HD11 H 1 0.856 0.003 . 2 . . . . 85 LEU HD1 . 25087 1 1147 . 1 1 85 85 LEU HD12 H 1 0.856 0.003 . 2 . . . . 85 LEU HD1 . 25087 1 1148 . 1 1 85 85 LEU HD13 H 1 0.856 0.003 . 2 . . . . 85 LEU HD1 . 25087 1 1149 . 1 1 85 85 LEU HD21 H 1 0.831 0.001 . 2 . . . . 85 LEU HD2 . 25087 1 1150 . 1 1 85 85 LEU HD22 H 1 0.831 0.001 . 2 . . . . 85 LEU HD2 . 25087 1 1151 . 1 1 85 85 LEU HD23 H 1 0.831 0.001 . 2 . . . . 85 LEU HD2 . 25087 1 1152 . 1 1 85 85 LEU C C 13 178.626 0.001 . 1 . . . . 85 LEU C . 25087 1 1153 . 1 1 85 85 LEU CA C 13 58.554 0.035 . 1 . . . . 85 LEU CA . 25087 1 1154 . 1 1 85 85 LEU CB C 13 42.095 0.036 . 1 . . . . 85 LEU CB . 25087 1 1155 . 1 1 85 85 LEU CG C 13 27.342 0.030 . 1 . . . . 85 LEU CG . 25087 1 1156 . 1 1 85 85 LEU CD1 C 13 24.887 0.009 . 2 . . . . 85 LEU CD1 . 25087 1 1157 . 1 1 85 85 LEU CD2 C 13 25.267 0.010 . 2 . . . . 85 LEU CD2 . 25087 1 1158 . 1 1 85 85 LEU N N 15 121.953 0.006 . 1 . . . . 85 LEU N . 25087 1 1159 . 1 1 86 86 ILE H H 1 8.000 0.001 . 1 . . . . 86 ILE H . 25087 1 1160 . 1 1 86 86 ILE HA H 1 3.543 0.003 . 1 . . . . 86 ILE HA . 25087 1 1161 . 1 1 86 86 ILE HB H 1 2.021 0.011 . 1 . . . . 86 ILE HB . 25087 1 1162 . 1 1 86 86 ILE HG12 H 1 2.084 0.001 . 2 . . . . 86 ILE HG12 . 25087 1 1163 . 1 1 86 86 ILE HG13 H 1 1.455 0.002 . 2 . . . . 86 ILE HG13 . 25087 1 1164 . 1 1 86 86 ILE HG21 H 1 -0.427 0.002 . 1 . . . . 86 ILE HG2 . 25087 1 1165 . 1 1 86 86 ILE HG22 H 1 -0.427 0.002 . 1 . . . . 86 ILE HG2 . 25087 1 1166 . 1 1 86 86 ILE HG23 H 1 -0.427 0.002 . 1 . . . . 86 ILE HG2 . 25087 1 1167 . 1 1 86 86 ILE HD11 H 1 0.850 0.002 . 1 . . . . 86 ILE HD1 . 25087 1 1168 . 1 1 86 86 ILE HD12 H 1 0.850 0.002 . 1 . . . . 86 ILE HD1 . 25087 1 1169 . 1 1 86 86 ILE HD13 H 1 0.850 0.002 . 1 . . . . 86 ILE HD1 . 25087 1 1170 . 1 1 86 86 ILE C C 13 177.103 0.007 . 1 . . . . 86 ILE C . 25087 1 1171 . 1 1 86 86 ILE CA C 13 61.439 0.031 . 1 . . . . 86 ILE CA . 25087 1 1172 . 1 1 86 86 ILE CB C 13 34.696 0.068 . 1 . . . . 86 ILE CB . 25087 1 1173 . 1 1 86 86 ILE CG1 C 13 27.833 0.033 . 1 . . . . 86 ILE CG1 . 25087 1 1174 . 1 1 86 86 ILE CG2 C 13 16.644 0.022 . 1 . . . . 86 ILE CG2 . 25087 1 1175 . 1 1 86 86 ILE CD1 C 13 9.049 0.017 . 1 . . . . 86 ILE CD1 . 25087 1 1176 . 1 1 86 86 ILE N N 15 116.732 0.011 . 1 . . . . 86 ILE N . 25087 1 1177 . 1 1 87 87 LYS H H 1 7.945 0.001 . 1 . . . . 87 LYS H . 25087 1 1178 . 1 1 87 87 LYS HA H 1 3.274 0.003 . 1 . . . . 87 LYS HA . 25087 1 1179 . 1 1 87 87 LYS HB2 H 1 1.845 0.002 . 2 . . . . 87 LYS HB2 . 25087 1 1180 . 1 1 87 87 LYS HB3 H 1 0.828 0.008 . 2 . . . . 87 LYS HB3 . 25087 1 1181 . 1 1 87 87 LYS HG2 H 1 1.423 0.001 . 2 . . . . 87 LYS HG2 . 25087 1 1182 . 1 1 87 87 LYS HG3 H 1 1.286 0.001 . 2 . . . . 87 LYS HG3 . 25087 1 1183 . 1 1 87 87 LYS HD2 H 1 1.769 0.003 . 2 . . . . 87 LYS HD2 . 25087 1 1184 . 1 1 87 87 LYS HD3 H 1 1.620 0.002 . 2 . . . . 87 LYS HD3 . 25087 1 1185 . 1 1 87 87 LYS HE2 H 1 3.048 0.002 . 1 . . . . 87 LYS HE2 . 25087 1 1186 . 1 1 87 87 LYS HE3 H 1 3.048 0.002 . 1 . . . . 87 LYS HE3 . 25087 1 1187 . 1 1 87 87 LYS C C 13 177.387 0.010 . 1 . . . . 87 LYS C . 25087 1 1188 . 1 1 87 87 LYS CA C 13 60.384 0.035 . 1 . . . . 87 LYS CA . 25087 1 1189 . 1 1 87 87 LYS CB C 13 31.381 0.053 . 1 . . . . 87 LYS CB . 25087 1 1190 . 1 1 87 87 LYS CG C 13 24.190 0.042 . 1 . . . . 87 LYS CG . 25087 1 1191 . 1 1 87 87 LYS CD C 13 29.396 0.029 . 1 . . . . 87 LYS CD . 25087 1 1192 . 1 1 87 87 LYS CE C 13 42.174 0.048 . 1 . . . . 87 LYS CE . 25087 1 1193 . 1 1 87 87 LYS N N 15 122.044 0.012 . 1 . . . . 87 LYS N . 25087 1 1194 . 1 1 88 88 GLU H H 1 7.756 0.002 . 1 . . . . 88 GLU H . 25087 1 1195 . 1 1 88 88 GLU HA H 1 4.002 0.006 . 1 . . . . 88 GLU HA . 25087 1 1196 . 1 1 88 88 GLU HB2 H 1 2.172 0.002 . 2 . . . . 88 GLU HB2 . 25087 1 1197 . 1 1 88 88 GLU HB3 H 1 2.027 0.002 . 2 . . . . 88 GLU HB3 . 25087 1 1198 . 1 1 88 88 GLU HG2 H 1 2.506 0.002 . 2 . . . . 88 GLU HG2 . 25087 1 1199 . 1 1 88 88 GLU HG3 H 1 2.279 0.001 . 2 . . . . 88 GLU HG3 . 25087 1 1200 . 1 1 88 88 GLU C C 13 179.026 0.030 . 1 . . . . 88 GLU C . 25087 1 1201 . 1 1 88 88 GLU CA C 13 58.984 0.029 . 1 . . . . 88 GLU CA . 25087 1 1202 . 1 1 88 88 GLU CB C 13 29.325 0.052 . 1 . . . . 88 GLU CB . 25087 1 1203 . 1 1 88 88 GLU CG C 13 36.523 0.021 . 1 . . . . 88 GLU CG . 25087 1 1204 . 1 1 88 88 GLU N N 15 116.248 0.011 . 1 . . . . 88 GLU N . 25087 1 1205 . 1 1 89 89 LEU H H 1 7.425 0.002 . 1 . . . . 89 LEU H . 25087 1 1206 . 1 1 89 89 LEU HA H 1 3.976 0.002 . 1 . . . . 89 LEU HA . 25087 1 1207 . 1 1 89 89 LEU HB2 H 1 1.818 0.003 . 2 . . . . 89 LEU HB2 . 25087 1 1208 . 1 1 89 89 LEU HB3 H 1 1.277 0.002 . 2 . . . . 89 LEU HB3 . 25087 1 1209 . 1 1 89 89 LEU HG H 1 1.779 0.001 . 1 . . . . 89 LEU HG . 25087 1 1210 . 1 1 89 89 LEU HD11 H 1 0.715 0.001 . 2 . . . . 89 LEU HD1 . 25087 1 1211 . 1 1 89 89 LEU HD12 H 1 0.715 0.001 . 2 . . . . 89 LEU HD1 . 25087 1 1212 . 1 1 89 89 LEU HD13 H 1 0.715 0.001 . 2 . . . . 89 LEU HD1 . 25087 1 1213 . 1 1 89 89 LEU HD21 H 1 0.680 0.001 . 2 . . . . 89 LEU HD2 . 25087 1 1214 . 1 1 89 89 LEU HD22 H 1 0.680 0.001 . 2 . . . . 89 LEU HD2 . 25087 1 1215 . 1 1 89 89 LEU HD23 H 1 0.680 0.001 . 2 . . . . 89 LEU HD2 . 25087 1 1216 . 1 1 89 89 LEU C C 13 178.266 0.001 . 1 . . . . 89 LEU C . 25087 1 1217 . 1 1 89 89 LEU CA C 13 58.001 0.042 . 1 . . . . 89 LEU CA . 25087 1 1218 . 1 1 89 89 LEU CB C 13 41.923 0.030 . 1 . . . . 89 LEU CB . 25087 1 1219 . 1 1 89 89 LEU CG C 13 26.559 0.015 . 1 . . . . 89 LEU CG . 25087 1 1220 . 1 1 89 89 LEU CD1 C 13 25.806 0.036 . 2 . . . . 89 LEU CD1 . 25087 1 1221 . 1 1 89 89 LEU CD2 C 13 23.888 0.037 . 2 . . . . 89 LEU CD2 . 25087 1 1222 . 1 1 89 89 LEU N N 15 118.055 0.004 . 1 . . . . 89 LEU N . 25087 1 1223 . 1 1 90 90 ILE H H 1 8.183 0.004 . 1 . . . . 90 ILE H . 25087 1 1224 . 1 1 90 90 ILE HA H 1 3.374 0.005 . 1 . . . . 90 ILE HA . 25087 1 1225 . 1 1 90 90 ILE HB H 1 1.664 0.003 . 1 . . . . 90 ILE HB . 25087 1 1226 . 1 1 90 90 ILE HG12 H 1 1.388 0.002 . 2 . . . . 90 ILE HG12 . 25087 1 1227 . 1 1 90 90 ILE HG13 H 1 0.490 0.005 . 2 . . . . 90 ILE HG13 . 25087 1 1228 . 1 1 90 90 ILE HG21 H 1 0.663 0.002 . 1 . . . . 90 ILE HG2 . 25087 1 1229 . 1 1 90 90 ILE HG22 H 1 0.663 0.002 . 1 . . . . 90 ILE HG2 . 25087 1 1230 . 1 1 90 90 ILE HG23 H 1 0.663 0.002 . 1 . . . . 90 ILE HG2 . 25087 1 1231 . 1 1 90 90 ILE HD11 H 1 0.072 0.001 . 1 . . . . 90 ILE HD1 . 25087 1 1232 . 1 1 90 90 ILE HD12 H 1 0.072 0.001 . 1 . . . . 90 ILE HD1 . 25087 1 1233 . 1 1 90 90 ILE HD13 H 1 0.072 0.001 . 1 . . . . 90 ILE HD1 . 25087 1 1234 . 1 1 90 90 ILE C C 13 178.831 0.008 . 1 . . . . 90 ILE C . 25087 1 1235 . 1 1 90 90 ILE CA C 13 65.559 0.022 . 1 . . . . 90 ILE CA . 25087 1 1236 . 1 1 90 90 ILE CB C 13 37.854 0.033 . 1 . . . . 90 ILE CB . 25087 1 1237 . 1 1 90 90 ILE CG1 C 13 28.298 0.033 . 1 . . . . 90 ILE CG1 . 25087 1 1238 . 1 1 90 90 ILE CG2 C 13 17.549 0.028 . 1 . . . . 90 ILE CG2 . 25087 1 1239 . 1 1 90 90 ILE CD1 C 13 13.557 0.023 . 1 . . . . 90 ILE CD1 . 25087 1 1240 . 1 1 90 90 ILE N N 15 116.047 0.019 . 1 . . . . 90 ILE N . 25087 1 1241 . 1 1 91 91 ASP H H 1 8.424 0.003 . 1 . . . . 91 ASP H . 25087 1 1242 . 1 1 91 91 ASP HA H 1 4.487 0.007 . 1 . . . . 91 ASP HA . 25087 1 1243 . 1 1 91 91 ASP HB2 H 1 2.852 0.001 . 2 . . . . 91 ASP HB2 . 25087 1 1244 . 1 1 91 91 ASP HB3 H 1 2.651 0.010 . 2 . . . . 91 ASP HB3 . 25087 1 1245 . 1 1 91 91 ASP C C 13 177.724 0.002 . 1 . . . . 91 ASP C . 25087 1 1246 . 1 1 91 91 ASP CA C 13 56.613 0.034 . 1 . . . . 91 ASP CA . 25087 1 1247 . 1 1 91 91 ASP CB C 13 41.379 0.043 . 1 . . . . 91 ASP CB . 25087 1 1248 . 1 1 91 91 ASP N N 15 120.507 0.010 . 1 . . . . 91 ASP N . 25087 1 1249 . 1 1 92 92 LYS H H 1 7.555 0.002 . 1 . . . . 92 LYS H . 25087 1 1250 . 1 1 92 92 LYS HA H 1 4.565 0.005 . 1 . . . . 92 LYS HA . 25087 1 1251 . 1 1 92 92 LYS HB2 H 1 1.844 0.002 . 2 . . . . 92 LYS HB2 . 25087 1 1252 . 1 1 92 92 LYS HB3 H 1 2.124 0.002 . 2 . . . . 92 LYS HB3 . 25087 1 1253 . 1 1 92 92 LYS HG2 H 1 1.571 0.001 . 2 . . . . 92 LYS HG2 . 25087 1 1254 . 1 1 92 92 LYS HG3 H 1 1.509 0.003 . 2 . . . . 92 LYS HG3 . 25087 1 1255 . 1 1 92 92 LYS HD2 H 1 1.689 0.001 . 2 . . . . 92 LYS HD2 . 25087 1 1256 . 1 1 92 92 LYS HD3 H 1 1.600 0.002 . 2 . . . . 92 LYS HD3 . 25087 1 1257 . 1 1 92 92 LYS HE2 H 1 3.031 0.001 . 1 . . . . 92 LYS HE2 . 25087 1 1258 . 1 1 92 92 LYS HE3 H 1 3.031 0.001 . 1 . . . . 92 LYS HE3 . 25087 1 1259 . 1 1 92 92 LYS C C 13 177.816 0.004 . 1 . . . . 92 LYS C . 25087 1 1260 . 1 1 92 92 LYS CA C 13 54.684 0.040 . 1 . . . . 92 LYS CA . 25087 1 1261 . 1 1 92 92 LYS CB C 13 32.283 0.036 . 1 . . . . 92 LYS CB . 25087 1 1262 . 1 1 92 92 LYS CG C 13 24.787 0.043 . 1 . . . . 92 LYS CG . 25087 1 1263 . 1 1 92 92 LYS CD C 13 28.500 0.036 . 1 . . . . 92 LYS CD . 25087 1 1264 . 1 1 92 92 LYS CE C 13 42.461 0.018 . 1 . . . . 92 LYS CE . 25087 1 1265 . 1 1 92 92 LYS N N 15 116.845 0.005 . 1 . . . . 92 LYS N . 25087 1 1266 . 1 1 93 93 LYS H H 1 7.684 0.001 . 1 . . . . 93 LYS H . 25087 1 1267 . 1 1 93 93 LYS HA H 1 3.944 0.004 . 1 . . . . 93 LYS HA . 25087 1 1268 . 1 1 93 93 LYS HB2 H 1 1.877 0.002 . 1 . . . . 93 LYS HB2 . 25087 1 1269 . 1 1 93 93 LYS HB3 H 1 1.877 0.002 . 1 . . . . 93 LYS HB3 . 25087 1 1270 . 1 1 93 93 LYS HG2 H 1 1.775 0.001 . 2 . . . . 93 LYS HG2 . 25087 1 1271 . 1 1 93 93 LYS HG3 H 1 1.387 0.002 . 2 . . . . 93 LYS HG3 . 25087 1 1272 . 1 1 93 93 LYS HD2 H 1 1.706 0.001 . 1 . . . . 93 LYS HD2 . 25087 1 1273 . 1 1 93 93 LYS HD3 H 1 1.706 0.001 . 1 . . . . 93 LYS HD3 . 25087 1 1274 . 1 1 93 93 LYS HE2 H 1 3.175 0.003 . 2 . . . . 93 LYS HE2 . 25087 1 1275 . 1 1 93 93 LYS HE3 H 1 3.129 0.003 . 2 . . . . 93 LYS HE3 . 25087 1 1276 . 1 1 93 93 LYS C C 13 175.607 0.006 . 1 . . . . 93 LYS C . 25087 1 1277 . 1 1 93 93 LYS CA C 13 59.907 0.041 . 1 . . . . 93 LYS CA . 25087 1 1278 . 1 1 93 93 LYS CB C 13 32.715 0.033 . 1 . . . . 93 LYS CB . 25087 1 1279 . 1 1 93 93 LYS CG C 13 24.426 0.038 . 1 . . . . 93 LYS CG . 25087 1 1280 . 1 1 93 93 LYS CD C 13 30.675 0.032 . 1 . . . . 93 LYS CD . 25087 1 1281 . 1 1 93 93 LYS CE C 13 42.212 0.019 . 1 . . . . 93 LYS CE . 25087 1 1282 . 1 1 93 93 LYS N N 15 120.351 0.017 . 1 . . . . 93 LYS N . 25087 1 1283 . 1 1 94 94 GLU H H 1 8.284 0.002 . 1 . . . . 94 GLU H . 25087 1 1284 . 1 1 94 94 GLU HA H 1 4.310 0.003 . 1 . . . . 94 GLU HA . 25087 1 1285 . 1 1 94 94 GLU HB2 H 1 2.156 0.001 . 2 . . . . 94 GLU HB2 . 25087 1 1286 . 1 1 94 94 GLU HB3 H 1 1.967 0.003 . 2 . . . . 94 GLU HB3 . 25087 1 1287 . 1 1 94 94 GLU HG2 H 1 2.354 0.001 . 1 . . . . 94 GLU HG2 . 25087 1 1288 . 1 1 94 94 GLU HG3 H 1 2.354 0.001 . 1 . . . . 94 GLU HG3 . 25087 1 1289 . 1 1 94 94 GLU C C 13 177.577 0.004 . 1 . . . . 94 GLU C . 25087 1 1290 . 1 1 94 94 GLU CA C 13 57.761 0.040 . 1 . . . . 94 GLU CA . 25087 1 1291 . 1 1 94 94 GLU CB C 13 29.230 0.054 . 1 . . . . 94 GLU CB . 25087 1 1292 . 1 1 94 94 GLU CG C 13 37.070 0.007 . 1 . . . . 94 GLU CG . 25087 1 1293 . 1 1 94 94 GLU N N 15 114.630 0.006 . 1 . . . . 94 GLU N . 25087 1 1294 . 1 1 95 95 VAL H H 1 7.462 0.002 . 1 . . . . 95 VAL H . 25087 1 1295 . 1 1 95 95 VAL HA H 1 4.407 0.003 . 1 . . . . 95 VAL HA . 25087 1 1296 . 1 1 95 95 VAL HB H 1 2.353 0.002 . 1 . . . . 95 VAL HB . 25087 1 1297 . 1 1 95 95 VAL HG11 H 1 0.986 0.002 . 2 . . . . 95 VAL HG1 . 25087 1 1298 . 1 1 95 95 VAL HG12 H 1 0.986 0.002 . 2 . . . . 95 VAL HG1 . 25087 1 1299 . 1 1 95 95 VAL HG13 H 1 0.986 0.002 . 2 . . . . 95 VAL HG1 . 25087 1 1300 . 1 1 95 95 VAL HG21 H 1 0.968 0.002 . 2 . . . . 95 VAL HG2 . 25087 1 1301 . 1 1 95 95 VAL HG22 H 1 0.968 0.002 . 2 . . . . 95 VAL HG2 . 25087 1 1302 . 1 1 95 95 VAL HG23 H 1 0.968 0.002 . 2 . . . . 95 VAL HG2 . 25087 1 1303 . 1 1 95 95 VAL C C 13 175.156 0.003 . 1 . . . . 95 VAL C . 25087 1 1304 . 1 1 95 95 VAL CA C 13 61.590 0.027 . 1 . . . . 95 VAL CA . 25087 1 1305 . 1 1 95 95 VAL CB C 13 32.871 0.056 . 1 . . . . 95 VAL CB . 25087 1 1306 . 1 1 95 95 VAL CG1 C 13 19.785 0.023 . 2 . . . . 95 VAL CG1 . 25087 1 1307 . 1 1 95 95 VAL CG2 C 13 21.263 0.019 . 2 . . . . 95 VAL CG2 . 25087 1 1308 . 1 1 95 95 VAL N N 15 111.973 0.008 . 1 . . . . 95 VAL N . 25087 1 1309 . 1 1 96 96 ASN H H 1 7.684 0.001 . 1 . . . . 96 ASN H . 25087 1 1310 . 1 1 96 96 ASN HA H 1 5.348 0.005 . 1 . . . . 96 ASN HA . 25087 1 1311 . 1 1 96 96 ASN HB2 H 1 2.782 0.004 . 2 . . . . 96 ASN HB2 . 25087 1 1312 . 1 1 96 96 ASN HB3 H 1 2.832 0.002 . 2 . . . . 96 ASN HB3 . 25087 1 1313 . 1 1 96 96 ASN HD21 H 1 7.898 0.002 . 2 . . . . 96 ASN HD21 . 25087 1 1314 . 1 1 96 96 ASN HD22 H 1 7.209 0.003 . 2 . . . . 96 ASN HD22 . 25087 1 1315 . 1 1 96 96 ASN C C 13 173.142 0.001 . 1 . . . . 96 ASN C . 25087 1 1316 . 1 1 96 96 ASN CA C 13 50.787 0.029 . 1 . . . . 96 ASN CA . 25087 1 1317 . 1 1 96 96 ASN CB C 13 40.833 0.025 . 1 . . . . 96 ASN CB . 25087 1 1318 . 1 1 96 96 ASN CG C 13 176.538 0.004 . 1 . . . . 96 ASN CG . 25087 1 1319 . 1 1 96 96 ASN N N 15 120.325 0.015 . 1 . . . . 96 ASN N . 25087 1 1320 . 1 1 96 96 ASN ND2 N 15 114.203 0.023 . 1 . . . . 96 ASN ND2 . 25087 1 1321 . 1 1 97 97 PRO HA H 1 4.382 0.007 . 1 . . . . 97 PRO HA . 25087 1 1322 . 1 1 97 97 PRO HB2 H 1 1.999 0.005 . 2 . . . . 97 PRO HB2 . 25087 1 1323 . 1 1 97 97 PRO HB3 H 1 2.439 0.006 . 2 . . . . 97 PRO HB3 . 25087 1 1324 . 1 1 97 97 PRO HG2 H 1 2.149 0.002 . 2 . . . . 97 PRO HG2 . 25087 1 1325 . 1 1 97 97 PRO HG3 H 1 2.089 0.001 . 2 . . . . 97 PRO HG3 . 25087 1 1326 . 1 1 97 97 PRO HD2 H 1 3.952 0.004 . 1 . . . . 97 PRO HD2 . 25087 1 1327 . 1 1 97 97 PRO HD3 H 1 3.952 0.004 . 1 . . . . 97 PRO HD3 . 25087 1 1328 . 1 1 97 97 PRO C C 13 179.299 0.009 . 1 . . . . 97 PRO C . 25087 1 1329 . 1 1 97 97 PRO CA C 13 65.165 0.030 . 1 . . . . 97 PRO CA . 25087 1 1330 . 1 1 97 97 PRO CB C 13 32.462 0.063 . 1 . . . . 97 PRO CB . 25087 1 1331 . 1 1 97 97 PRO CG C 13 27.352 0.043 . 1 . . . . 97 PRO CG . 25087 1 1332 . 1 1 97 97 PRO CD C 13 51.401 0.019 . 1 . . . . 97 PRO CD . 25087 1 1333 . 1 1 97 97 PRO N N 15 137.580 0.020 . 1 . . . . 97 PRO N . 25087 1 1334 . 1 1 98 98 GLN H H 1 8.408 0.001 . 1 . . . . 98 GLN H . 25087 1 1335 . 1 1 98 98 GLN HA H 1 4.209 0.003 . 1 . . . . 98 GLN HA . 25087 1 1336 . 1 1 98 98 GLN HB2 H 1 2.237 0.003 . 2 . . . . 98 GLN HB2 . 25087 1 1337 . 1 1 98 98 GLN HB3 H 1 1.909 0.003 . 2 . . . . 98 GLN HB3 . 25087 1 1338 . 1 1 98 98 GLN HG2 H 1 2.456 0.004 . 1 . . . . 98 GLN HG2 . 25087 1 1339 . 1 1 98 98 GLN HG3 H 1 2.456 0.004 . 1 . . . . 98 GLN HG3 . 25087 1 1340 . 1 1 98 98 GLN HE21 H 1 7.533 0.001 . 2 . . . . 98 GLN HE21 . 25087 1 1341 . 1 1 98 98 GLN HE22 H 1 6.865 0.001 . 2 . . . . 98 GLN HE22 . 25087 1 1342 . 1 1 98 98 GLN C C 13 179.491 0.004 . 1 . . . . 98 GLN C . 25087 1 1343 . 1 1 98 98 GLN CA C 13 58.908 0.038 . 1 . . . . 98 GLN CA . 25087 1 1344 . 1 1 98 98 GLN CB C 13 27.568 0.049 . 1 . . . . 98 GLN CB . 25087 1 1345 . 1 1 98 98 GLN CG C 13 33.902 0.030 . 1 . . . . 98 GLN CG . 25087 1 1346 . 1 1 98 98 GLN CD C 13 179.250 0.013 . 1 . . . . 98 GLN CD . 25087 1 1347 . 1 1 98 98 GLN N N 15 117.713 0.029 . 1 . . . . 98 GLN N . 25087 1 1348 . 1 1 98 98 GLN NE2 N 15 111.946 0.007 . 1 . . . . 98 GLN NE2 . 25087 1 1349 . 1 1 99 99 VAL H H 1 7.974 0.001 . 1 . . . . 99 VAL H . 25087 1 1350 . 1 1 99 99 VAL HA H 1 3.487 0.004 . 1 . . . . 99 VAL HA . 25087 1 1351 . 1 1 99 99 VAL HB H 1 2.194 0.006 . 1 . . . . 99 VAL HB . 25087 1 1352 . 1 1 99 99 VAL HG11 H 1 0.911 0.003 . 2 . . . . 99 VAL HG1 . 25087 1 1353 . 1 1 99 99 VAL HG12 H 1 0.911 0.003 . 2 . . . . 99 VAL HG1 . 25087 1 1354 . 1 1 99 99 VAL HG13 H 1 0.911 0.003 . 2 . . . . 99 VAL HG1 . 25087 1 1355 . 1 1 99 99 VAL HG21 H 1 0.861 0.002 . 2 . . . . 99 VAL HG2 . 25087 1 1356 . 1 1 99 99 VAL HG22 H 1 0.861 0.002 . 2 . . . . 99 VAL HG2 . 25087 1 1357 . 1 1 99 99 VAL HG23 H 1 0.861 0.002 . 2 . . . . 99 VAL HG2 . 25087 1 1358 . 1 1 99 99 VAL C C 13 177.530 0.004 . 1 . . . . 99 VAL C . 25087 1 1359 . 1 1 99 99 VAL CA C 13 66.771 0.033 . 1 . . . . 99 VAL CA . 25087 1 1360 . 1 1 99 99 VAL CB C 13 31.713 0.081 . 1 . . . . 99 VAL CB . 25087 1 1361 . 1 1 99 99 VAL CG1 C 13 22.947 0.040 . 2 . . . . 99 VAL CG1 . 25087 1 1362 . 1 1 99 99 VAL CG2 C 13 22.157 0.047 . 2 . . . . 99 VAL CG2 . 25087 1 1363 . 1 1 99 99 VAL N N 15 121.220 0.015 . 1 . . . . 99 VAL N . 25087 1 1364 . 1 1 100 100 MET H H 1 8.353 0.003 . 1 . . . . 100 MET H . 25087 1 1365 . 1 1 100 100 MET HA H 1 4.016 0.010 . 1 . . . . 100 MET HA . 25087 1 1366 . 1 1 100 100 MET HB2 H 1 2.638 0.003 . 2 . . . . 100 MET HB2 . 25087 1 1367 . 1 1 100 100 MET HB3 H 1 2.560 0.004 . 2 . . . . 100 MET HB3 . 25087 1 1368 . 1 1 100 100 MET HG2 H 1 2.134 0.001 . 1 . . . . 100 MET HG2 . 25087 1 1369 . 1 1 100 100 MET HG3 H 1 2.134 0.001 . 1 . . . . 100 MET HG3 . 25087 1 1370 . 1 1 100 100 MET HE1 H 1 2.118 0.001 . 1 . . . . 100 MET HE . 25087 1 1371 . 1 1 100 100 MET HE2 H 1 2.118 0.001 . 1 . . . . 100 MET HE . 25087 1 1372 . 1 1 100 100 MET HE3 H 1 2.118 0.001 . 1 . . . . 100 MET HE . 25087 1 1373 . 1 1 100 100 MET C C 13 178.471 0.004 . 1 . . . . 100 MET C . 25087 1 1374 . 1 1 100 100 MET CA C 13 59.520 0.046 . 1 . . . . 100 MET CA . 25087 1 1375 . 1 1 100 100 MET CB C 13 32.042 0.057 . 1 . . . . 100 MET CB . 25087 1 1376 . 1 1 100 100 MET CG C 13 32.290 0.003 . 1 . . . . 100 MET CG . 25087 1 1377 . 1 1 100 100 MET CE C 13 17.687 0.011 . 1 . . . . 100 MET CE . 25087 1 1378 . 1 1 100 100 MET N N 15 119.723 0.013 . 1 . . . . 100 MET N . 25087 1 1379 . 1 1 101 101 ALA H H 1 7.958 0.001 . 1 . . . . 101 ALA H . 25087 1 1380 . 1 1 101 101 ALA HA H 1 4.289 0.004 . 1 . . . . 101 ALA HA . 25087 1 1381 . 1 1 101 101 ALA HB1 H 1 1.471 0.004 . 1 . . . . 101 ALA HB . 25087 1 1382 . 1 1 101 101 ALA HB2 H 1 1.471 0.004 . 1 . . . . 101 ALA HB . 25087 1 1383 . 1 1 101 101 ALA HB3 H 1 1.471 0.004 . 1 . . . . 101 ALA HB . 25087 1 1384 . 1 1 101 101 ALA C C 13 179.798 0.004 . 1 . . . . 101 ALA C . 25087 1 1385 . 1 1 101 101 ALA CA C 13 54.956 0.057 . 1 . . . . 101 ALA CA . 25087 1 1386 . 1 1 101 101 ALA CB C 13 17.865 0.058 . 1 . . . . 101 ALA CB . 25087 1 1387 . 1 1 101 101 ALA N N 15 119.494 0.016 . 1 . . . . 101 ALA N . 25087 1 1388 . 1 1 102 102 ALA H H 1 7.643 0.002 . 1 . . . . 102 ALA H . 25087 1 1389 . 1 1 102 102 ALA HA H 1 4.069 0.009 . 1 . . . . 102 ALA HA . 25087 1 1390 . 1 1 102 102 ALA HB1 H 1 1.387 0.004 . 1 . . . . 102 ALA HB . 25087 1 1391 . 1 1 102 102 ALA HB2 H 1 1.387 0.004 . 1 . . . . 102 ALA HB . 25087 1 1392 . 1 1 102 102 ALA HB3 H 1 1.387 0.004 . 1 . . . . 102 ALA HB . 25087 1 1393 . 1 1 102 102 ALA C C 13 181.246 0.009 . 1 . . . . 102 ALA C . 25087 1 1394 . 1 1 102 102 ALA CA C 13 55.293 0.037 . 1 . . . . 102 ALA CA . 25087 1 1395 . 1 1 102 102 ALA CB C 13 17.707 0.062 . 1 . . . . 102 ALA CB . 25087 1 1396 . 1 1 102 102 ALA N N 15 119.444 0.011 . 1 . . . . 102 ALA N . 25087 1 1397 . 1 1 103 103 VAL H H 1 8.947 0.003 . 1 . . . . 103 VAL H . 25087 1 1398 . 1 1 103 103 VAL HA H 1 3.362 0.003 . 1 . . . . 103 VAL HA . 25087 1 1399 . 1 1 103 103 VAL HB H 1 2.294 0.003 . 1 . . . . 103 VAL HB . 25087 1 1400 . 1 1 103 103 VAL HG11 H 1 0.939 0.001 . 2 . . . . 103 VAL HG1 . 25087 1 1401 . 1 1 103 103 VAL HG12 H 1 0.939 0.001 . 2 . . . . 103 VAL HG1 . 25087 1 1402 . 1 1 103 103 VAL HG13 H 1 0.939 0.001 . 2 . . . . 103 VAL HG1 . 25087 1 1403 . 1 1 103 103 VAL HG21 H 1 0.897 0.001 . 2 . . . . 103 VAL HG2 . 25087 1 1404 . 1 1 103 103 VAL HG22 H 1 0.897 0.001 . 2 . . . . 103 VAL HG2 . 25087 1 1405 . 1 1 103 103 VAL HG23 H 1 0.897 0.001 . 2 . . . . 103 VAL HG2 . 25087 1 1406 . 1 1 103 103 VAL C C 13 177.019 0.003 . 1 . . . . 103 VAL C . 25087 1 1407 . 1 1 103 103 VAL CA C 13 68.335 0.027 . 1 . . . . 103 VAL CA . 25087 1 1408 . 1 1 103 103 VAL CB C 13 31.289 0.094 . 1 . . . . 103 VAL CB . 25087 1 1409 . 1 1 103 103 VAL CG1 C 13 21.921 0.018 . 2 . . . . 103 VAL CG1 . 25087 1 1410 . 1 1 103 103 VAL CG2 C 13 23.270 0.028 . 2 . . . . 103 VAL CG2 . 25087 1 1411 . 1 1 103 103 VAL N N 15 122.763 0.034 . 1 . . . . 103 VAL N . 25087 1 1412 . 1 1 104 104 ALA H H 1 8.495 0.002 . 1 . . . . 104 ALA H . 25087 1 1413 . 1 1 104 104 ALA HA H 1 4.236 0.004 . 1 . . . . 104 ALA HA . 25087 1 1414 . 1 1 104 104 ALA HB1 H 1 1.560 0.003 . 1 . . . . 104 ALA HB . 25087 1 1415 . 1 1 104 104 ALA HB2 H 1 1.560 0.003 . 1 . . . . 104 ALA HB . 25087 1 1416 . 1 1 104 104 ALA HB3 H 1 1.560 0.003 . 1 . . . . 104 ALA HB . 25087 1 1417 . 1 1 104 104 ALA C C 13 181.402 0.008 . 1 . . . . 104 ALA C . 25087 1 1418 . 1 1 104 104 ALA CA C 13 55.456 0.025 . 1 . . . . 104 ALA CA . 25087 1 1419 . 1 1 104 104 ALA CB C 13 17.990 0.055 . 1 . . . . 104 ALA CB . 25087 1 1420 . 1 1 104 104 ALA N N 15 122.451 0.008 . 1 . . . . 104 ALA N . 25087 1 1421 . 1 1 105 105 GLN H H 1 8.470 0.002 . 1 . . . . 105 GLN H . 25087 1 1422 . 1 1 105 105 GLN HA H 1 4.132 0.003 . 1 . . . . 105 GLN HA . 25087 1 1423 . 1 1 105 105 GLN HB2 H 1 2.231 0.001 . 2 . . . . 105 GLN HB2 . 25087 1 1424 . 1 1 105 105 GLN HB3 H 1 2.331 0.002 . 2 . . . . 105 GLN HB3 . 25087 1 1425 . 1 1 105 105 GLN HG2 H 1 2.551 0.004 . 2 . . . . 105 GLN HG2 . 25087 1 1426 . 1 1 105 105 GLN HG3 H 1 2.720 0.002 . 2 . . . . 105 GLN HG3 . 25087 1 1427 . 1 1 105 105 GLN HE21 H 1 7.282 0.001 . 2 . . . . 105 GLN HE21 . 25087 1 1428 . 1 1 105 105 GLN HE22 H 1 6.523 0.001 . 2 . . . . 105 GLN HE22 . 25087 1 1429 . 1 1 105 105 GLN C C 13 178.180 0.010 . 1 . . . . 105 GLN C . 25087 1 1430 . 1 1 105 105 GLN CA C 13 58.823 0.037 . 1 . . . . 105 GLN CA . 25087 1 1431 . 1 1 105 105 GLN CB C 13 29.219 0.038 . 1 . . . . 105 GLN CB . 25087 1 1432 . 1 1 105 105 GLN CG C 13 34.867 0.022 . 1 . . . . 105 GLN CG . 25087 1 1433 . 1 1 105 105 GLN CD C 13 179.382 0.011 . 1 . . . . 105 GLN CD . 25087 1 1434 . 1 1 105 105 GLN N N 15 116.561 0.010 . 1 . . . . 105 GLN N . 25087 1 1435 . 1 1 105 105 GLN NE2 N 15 109.372 0.011 . 1 . . . . 105 GLN NE2 . 25087 1 1436 . 1 1 106 106 THR H H 1 7.979 0.003 . 1 . . . . 106 THR H . 25087 1 1437 . 1 1 106 106 THR HA H 1 3.405 0.004 . 1 . . . . 106 THR HA . 25087 1 1438 . 1 1 106 106 THR HB H 1 4.529 0.004 . 1 . . . . 106 THR HB . 25087 1 1439 . 1 1 106 106 THR HG1 H 1 6.089 0.004 . 1 . . . . 106 THR HG1 . 25087 1 1440 . 1 1 106 106 THR HG21 H 1 1.007 0.002 . 1 . . . . 106 THR HG2 . 25087 1 1441 . 1 1 106 106 THR HG22 H 1 1.007 0.002 . 1 . . . . 106 THR HG2 . 25087 1 1442 . 1 1 106 106 THR HG23 H 1 1.007 0.002 . 1 . . . . 106 THR HG2 . 25087 1 1443 . 1 1 106 106 THR C C 13 175.612 0.009 . 1 . . . . 106 THR C . 25087 1 1444 . 1 1 106 106 THR CA C 13 67.573 0.044 . 1 . . . . 106 THR CA . 25087 1 1445 . 1 1 106 106 THR CB C 13 68.920 0.036 . 1 . . . . 106 THR CB . 25087 1 1446 . 1 1 106 106 THR CG2 C 13 21.418 0.028 . 1 . . . . 106 THR CG2 . 25087 1 1447 . 1 1 106 106 THR N N 15 116.559 0.021 . 1 . . . . 106 THR N . 25087 1 1448 . 1 1 107 107 GLU H H 1 7.912 0.001 . 1 . . . . 107 GLU H . 25087 1 1449 . 1 1 107 107 GLU HA H 1 3.711 0.003 . 1 . . . . 107 GLU HA . 25087 1 1450 . 1 1 107 107 GLU HB2 H 1 2.263 0.004 . 2 . . . . 107 GLU HB2 . 25087 1 1451 . 1 1 107 107 GLU HB3 H 1 1.935 0.003 . 2 . . . . 107 GLU HB3 . 25087 1 1452 . 1 1 107 107 GLU HG2 H 1 2.619 0.002 . 2 . . . . 107 GLU HG2 . 25087 1 1453 . 1 1 107 107 GLU HG3 H 1 2.291 0.002 . 2 . . . . 107 GLU HG3 . 25087 1 1454 . 1 1 107 107 GLU C C 13 178.058 0.005 . 1 . . . . 107 GLU C . 25087 1 1455 . 1 1 107 107 GLU CA C 13 60.222 0.042 . 1 . . . . 107 GLU CA . 25087 1 1456 . 1 1 107 107 GLU CB C 13 29.910 0.046 . 1 . . . . 107 GLU CB . 25087 1 1457 . 1 1 107 107 GLU CG C 13 37.549 0.045 . 1 . . . . 107 GLU CG . 25087 1 1458 . 1 1 107 107 GLU N N 15 119.665 0.012 . 1 . . . . 107 GLU N . 25087 1 1459 . 1 1 108 108 GLU H H 1 7.868 0.002 . 1 . . . . 108 GLU H . 25087 1 1460 . 1 1 108 108 GLU HA H 1 3.894 0.003 . 1 . . . . 108 GLU HA . 25087 1 1461 . 1 1 108 108 GLU HB2 H 1 2.092 0.003 . 1 . . . . 108 GLU HB2 . 25087 1 1462 . 1 1 108 108 GLU HB3 H 1 2.092 0.003 . 1 . . . . 108 GLU HB3 . 25087 1 1463 . 1 1 108 108 GLU HG2 H 1 2.331 0.003 . 2 . . . . 108 GLU HG2 . 25087 1 1464 . 1 1 108 108 GLU HG3 H 1 2.232 0.003 . 2 . . . . 108 GLU HG3 . 25087 1 1465 . 1 1 108 108 GLU C C 13 179.643 0.001 . 1 . . . . 108 GLU C . 25087 1 1466 . 1 1 108 108 GLU CA C 13 59.502 0.056 . 1 . . . . 108 GLU CA . 25087 1 1467 . 1 1 108 108 GLU CB C 13 29.122 0.003 . 1 . . . . 108 GLU CB . 25087 1 1468 . 1 1 108 108 GLU CG C 13 36.037 0.030 . 1 . . . . 108 GLU CG . 25087 1 1469 . 1 1 108 108 GLU N N 15 117.369 0.015 . 1 . . . . 108 GLU N . 25087 1 1470 . 1 1 109 109 ILE H H 1 7.729 0.003 . 1 . . . . 109 ILE H . 25087 1 1471 . 1 1 109 109 ILE HA H 1 3.459 0.006 . 1 . . . . 109 ILE HA . 25087 1 1472 . 1 1 109 109 ILE HB H 1 1.354 0.005 . 1 . . . . 109 ILE HB . 25087 1 1473 . 1 1 109 109 ILE HG12 H 1 0.188 0.003 . 2 . . . . 109 ILE HG12 . 25087 1 1474 . 1 1 109 109 ILE HG13 H 1 1.553 0.002 . 2 . . . . 109 ILE HG13 . 25087 1 1475 . 1 1 109 109 ILE HG21 H 1 0.447 0.001 . 1 . . . . 109 ILE HG2 . 25087 1 1476 . 1 1 109 109 ILE HG22 H 1 0.447 0.001 . 1 . . . . 109 ILE HG2 . 25087 1 1477 . 1 1 109 109 ILE HG23 H 1 0.447 0.001 . 1 . . . . 109 ILE HG2 . 25087 1 1478 . 1 1 109 109 ILE HD11 H 1 0.200 0.002 . 1 . . . . 109 ILE HD1 . 25087 1 1479 . 1 1 109 109 ILE HD12 H 1 0.200 0.002 . 1 . . . . 109 ILE HD1 . 25087 1 1480 . 1 1 109 109 ILE HD13 H 1 0.200 0.002 . 1 . . . . 109 ILE HD1 . 25087 1 1481 . 1 1 109 109 ILE C C 13 178.949 0.004 . 1 . . . . 109 ILE C . 25087 1 1482 . 1 1 109 109 ILE CA C 13 65.121 0.031 . 1 . . . . 109 ILE CA . 25087 1 1483 . 1 1 109 109 ILE CB C 13 37.982 0.025 . 1 . . . . 109 ILE CB . 25087 1 1484 . 1 1 109 109 ILE CG1 C 13 29.570 0.038 . 1 . . . . 109 ILE CG1 . 25087 1 1485 . 1 1 109 109 ILE CG2 C 13 17.427 0.019 . 1 . . . . 109 ILE CG2 . 25087 1 1486 . 1 1 109 109 ILE CD1 C 13 14.198 0.023 . 1 . . . . 109 ILE CD1 . 25087 1 1487 . 1 1 109 109 ILE N N 15 119.653 0.012 . 1 . . . . 109 ILE N . 25087 1 1488 . 1 1 110 110 LEU H H 1 8.200 0.002 . 1 . . . . 110 LEU H . 25087 1 1489 . 1 1 110 110 LEU HA H 1 3.988 0.002 . 1 . . . . 110 LEU HA . 25087 1 1490 . 1 1 110 110 LEU HB2 H 1 1.815 0.001 . 2 . . . . 110 LEU HB2 . 25087 1 1491 . 1 1 110 110 LEU HB3 H 1 1.606 0.002 . 2 . . . . 110 LEU HB3 . 25087 1 1492 . 1 1 110 110 LEU HG H 1 1.955 0.002 . 1 . . . . 110 LEU HG . 25087 1 1493 . 1 1 110 110 LEU HD11 H 1 0.746 0.001 . 2 . . . . 110 LEU HD1 . 25087 1 1494 . 1 1 110 110 LEU HD12 H 1 0.746 0.001 . 2 . . . . 110 LEU HD1 . 25087 1 1495 . 1 1 110 110 LEU HD13 H 1 0.746 0.001 . 2 . . . . 110 LEU HD1 . 25087 1 1496 . 1 1 110 110 LEU HD21 H 1 0.637 0.001 . 2 . . . . 110 LEU HD2 . 25087 1 1497 . 1 1 110 110 LEU HD22 H 1 0.637 0.001 . 2 . . . . 110 LEU HD2 . 25087 1 1498 . 1 1 110 110 LEU HD23 H 1 0.637 0.001 . 2 . . . . 110 LEU HD2 . 25087 1 1499 . 1 1 110 110 LEU C C 13 179.890 0.012 . 1 . . . . 110 LEU C . 25087 1 1500 . 1 1 110 110 LEU CA C 13 57.680 0.018 . 1 . . . . 110 LEU CA . 25087 1 1501 . 1 1 110 110 LEU CB C 13 40.823 0.031 . 1 . . . . 110 LEU CB . 25087 1 1502 . 1 1 110 110 LEU CG C 13 25.973 0.013 . 1 . . . . 110 LEU CG . 25087 1 1503 . 1 1 110 110 LEU CD1 C 13 21.674 0.021 . 2 . . . . 110 LEU CD1 . 25087 1 1504 . 1 1 110 110 LEU CD2 C 13 25.977 0.026 . 2 . . . . 110 LEU CD2 . 25087 1 1505 . 1 1 110 110 LEU N N 15 118.730 0.020 . 1 . . . . 110 LEU N . 25087 1 1506 . 1 1 111 111 LYS H H 1 8.428 0.002 . 1 . . . . 111 LYS H . 25087 1 1507 . 1 1 111 111 LYS HA H 1 4.124 0.005 . 1 . . . . 111 LYS HA . 25087 1 1508 . 1 1 111 111 LYS HB2 H 1 1.836 0.001 . 2 . . . . 111 LYS HB2 . 25087 1 1509 . 1 1 111 111 LYS HB3 H 1 1.835 0.001 . 2 . . . . 111 LYS HB3 . 25087 1 1510 . 1 1 111 111 LYS HG2 H 1 1.679 0.001 . 2 . . . . 111 LYS HG2 . 25087 1 1511 . 1 1 111 111 LYS HG3 H 1 1.386 0.001 . 2 . . . . 111 LYS HG3 . 25087 1 1512 . 1 1 111 111 LYS HD2 H 1 1.632 0.001 . 2 . . . . 111 LYS HD2 . 25087 1 1513 . 1 1 111 111 LYS HD3 H 1 1.576 0.001 . 2 . . . . 111 LYS HD3 . 25087 1 1514 . 1 1 111 111 LYS HE2 H 1 2.897 0.003 . 1 . . . . 111 LYS HE2 . 25087 1 1515 . 1 1 111 111 LYS HE3 H 1 2.897 0.003 . 1 . . . . 111 LYS HE3 . 25087 1 1516 . 1 1 111 111 LYS C C 13 178.465 0.007 . 1 . . . . 111 LYS C . 25087 1 1517 . 1 1 111 111 LYS CA C 13 58.857 0.024 . 1 . . . . 111 LYS CA . 25087 1 1518 . 1 1 111 111 LYS CB C 13 32.571 0.054 . 1 . . . . 111 LYS CB . 25087 1 1519 . 1 1 111 111 LYS CG C 13 26.303 0.050 . 1 . . . . 111 LYS CG . 25087 1 1520 . 1 1 111 111 LYS CD C 13 29.496 0.016 . 1 . . . . 111 LYS CD . 25087 1 1521 . 1 1 111 111 LYS CE C 13 42.199 0.032 . 1 . . . . 111 LYS CE . 25087 1 1522 . 1 1 111 111 LYS N N 15 117.943 0.013 . 1 . . . . 111 LYS N . 25087 1 1523 . 1 1 112 112 SER H H 1 7.721 0.002 . 1 . . . . 112 SER H . 25087 1 1524 . 1 1 112 112 SER HA H 1 4.329 0.004 . 1 . . . . 112 SER HA . 25087 1 1525 . 1 1 112 112 SER HB2 H 1 3.994 0.005 . 1 . . . . 112 SER HB2 . 25087 1 1526 . 1 1 112 112 SER HB3 H 1 3.994 0.005 . 1 . . . . 112 SER HB3 . 25087 1 1527 . 1 1 112 112 SER C C 13 175.380 0.010 . 1 . . . . 112 SER C . 25087 1 1528 . 1 1 112 112 SER CA C 13 60.343 0.030 . 1 . . . . 112 SER CA . 25087 1 1529 . 1 1 112 112 SER CB C 13 63.373 0.041 . 1 . . . . 112 SER CB . 25087 1 1530 . 1 1 112 112 SER N N 15 114.799 0.010 . 1 . . . . 112 SER N . 25087 1 1531 . 1 1 113 113 ASN H H 1 8.004 0.001 . 1 . . . . 113 ASN H . 25087 1 1532 . 1 1 113 113 ASN HA H 1 4.733 0.001 . 1 . . . . 113 ASN HA . 25087 1 1533 . 1 1 113 113 ASN HB2 H 1 2.885 0.003 . 2 . . . . 113 ASN HB2 . 25087 1 1534 . 1 1 113 113 ASN HB3 H 1 2.794 0.004 . 2 . . . . 113 ASN HB3 . 25087 1 1535 . 1 1 113 113 ASN HD21 H 1 7.771 0.001 . 2 . . . . 113 ASN HD21 . 25087 1 1536 . 1 1 113 113 ASN HD22 H 1 6.961 0.001 . 2 . . . . 113 ASN HD22 . 25087 1 1537 . 1 1 113 113 ASN C C 13 175.783 0.009 . 1 . . . . 113 ASN C . 25087 1 1538 . 1 1 113 113 ASN CA C 13 54.003 0.059 . 1 . . . . 113 ASN CA . 25087 1 1539 . 1 1 113 113 ASN CB C 13 38.984 0.069 . 1 . . . . 113 ASN CB . 25087 1 1540 . 1 1 113 113 ASN CG C 13 176.871 0.009 . 1 . . . . 113 ASN CG . 25087 1 1541 . 1 1 113 113 ASN N N 15 119.808 0.009 . 1 . . . . 113 ASN N . 25087 1 1542 . 1 1 113 113 ASN ND2 N 15 112.315 0.015 . 1 . . . . 113 ASN ND2 . 25087 1 1543 . 1 1 114 114 SER H H 1 8.025 0.001 . 1 . . . . 114 SER H . 25087 1 1544 . 1 1 114 114 SER HA H 1 4.446 0.005 . 1 . . . . 114 SER HA . 25087 1 1545 . 1 1 114 114 SER HB2 H 1 3.988 0.002 . 2 . . . . 114 SER HB2 . 25087 1 1546 . 1 1 114 114 SER HB3 H 1 3.947 0.003 . 2 . . . . 114 SER HB3 . 25087 1 1547 . 1 1 114 114 SER C C 13 174.972 0.009 . 1 . . . . 114 SER C . 25087 1 1548 . 1 1 114 114 SER CA C 13 59.123 0.050 . 1 . . . . 114 SER CA . 25087 1 1549 . 1 1 114 114 SER CB C 13 63.743 0.028 . 1 . . . . 114 SER CB . 25087 1 1550 . 1 1 114 114 SER N N 15 115.396 0.004 . 1 . . . . 114 SER N . 25087 1 1551 . 1 1 115 115 GLN H H 1 8.258 0.002 . 1 . . . . 115 GLN H . 25087 1 1552 . 1 1 115 115 GLN HA H 1 4.396 0.004 . 1 . . . . 115 GLN HA . 25087 1 1553 . 1 1 115 115 GLN HB2 H 1 2.178 0.006 . 2 . . . . 115 GLN HB2 . 25087 1 1554 . 1 1 115 115 GLN HB3 H 1 2.063 0.001 . 2 . . . . 115 GLN HB3 . 25087 1 1555 . 1 1 115 115 GLN HG2 H 1 2.410 0.002 . 1 . . . . 115 GLN HG2 . 25087 1 1556 . 1 1 115 115 GLN HG3 H 1 2.410 0.002 . 1 . . . . 115 GLN HG3 . 25087 1 1557 . 1 1 115 115 GLN HE21 H 1 7.543 0.003 . 2 . . . . 115 GLN HE21 . 25087 1 1558 . 1 1 115 115 GLN HE22 H 1 6.829 0.003 . 2 . . . . 115 GLN HE22 . 25087 1 1559 . 1 1 115 115 GLN C C 13 176.488 0.006 . 1 . . . . 115 GLN C . 25087 1 1560 . 1 1 115 115 GLN CA C 13 56.336 0.041 . 1 . . . . 115 GLN CA . 25087 1 1561 . 1 1 115 115 GLN CB C 13 29.012 0.003 . 1 . . . . 115 GLN CB . 25087 1 1562 . 1 1 115 115 GLN CG C 13 33.890 0.011 . 1 . . . . 115 GLN CG . 25087 1 1563 . 1 1 115 115 GLN CD C 13 180.455 0.003 . 1 . . . . 115 GLN CD . 25087 1 1564 . 1 1 115 115 GLN N N 15 121.572 0.007 . 1 . . . . 115 GLN N . 25087 1 1565 . 1 1 115 115 GLN NE2 N 15 112.451 0.013 . 1 . . . . 115 GLN NE2 . 25087 1 1566 . 1 1 116 116 THR H H 1 8.119 0.001 . 1 . . . . 116 THR H . 25087 1 1567 . 1 1 116 116 THR HA H 1 4.285 0.004 . 1 . . . . 116 THR HA . 25087 1 1568 . 1 1 116 116 THR HB H 1 4.225 0.003 . 1 . . . . 116 THR HB . 25087 1 1569 . 1 1 116 116 THR HG21 H 1 1.199 0.003 . 1 . . . . 116 THR HG2 . 25087 1 1570 . 1 1 116 116 THR HG22 H 1 1.199 0.003 . 1 . . . . 116 THR HG2 . 25087 1 1571 . 1 1 116 116 THR HG23 H 1 1.199 0.003 . 1 . . . . 116 THR HG2 . 25087 1 1572 . 1 1 116 116 THR C C 13 174.485 0.005 . 1 . . . . 116 THR C . 25087 1 1573 . 1 1 116 116 THR CA C 13 62.582 0.041 . 1 . . . . 116 THR CA . 25087 1 1574 . 1 1 116 116 THR CB C 13 69.705 0.030 . 1 . . . . 116 THR CB . 25087 1 1575 . 1 1 116 116 THR CG2 C 13 21.624 0.036 . 1 . . . . 116 THR CG2 . 25087 1 1576 . 1 1 116 116 THR N N 15 114.656 0.005 . 1 . . . . 116 THR N . 25087 1 1577 . 1 1 117 117 ASP H H 1 8.336 0.002 . 1 . . . . 117 ASP H . 25087 1 1578 . 1 1 117 117 ASP HA H 1 4.627 0.006 . 1 . . . . 117 ASP HA . 25087 1 1579 . 1 1 117 117 ASP HB2 H 1 2.760 0.004 . 2 . . . . 117 ASP HB2 . 25087 1 1580 . 1 1 117 117 ASP HB3 H 1 2.689 0.005 . 2 . . . . 117 ASP HB3 . 25087 1 1581 . 1 1 117 117 ASP C C 13 176.498 0.004 . 1 . . . . 117 ASP C . 25087 1 1582 . 1 1 117 117 ASP CA C 13 54.541 0.060 . 1 . . . . 117 ASP CA . 25087 1 1583 . 1 1 117 117 ASP CB C 13 40.972 0.091 . 1 . . . . 117 ASP CB . 25087 1 1584 . 1 1 117 117 ASP N N 15 122.510 0.014 . 1 . . . . 117 ASP N . 25087 1 1585 . 1 1 118 118 LEU H H 1 8.143 0.001 . 1 . . . . 118 LEU H . 25087 1 1586 . 1 1 118 118 LEU HA H 1 4.201 0.004 . 1 . . . . 118 LEU HA . 25087 1 1587 . 1 1 118 118 LEU HB2 H 1 1.638 0.003 . 2 . . . . 118 LEU HB2 . 25087 1 1588 . 1 1 118 118 LEU HB3 H 1 1.556 0.003 . 2 . . . . 118 LEU HB3 . 25087 1 1589 . 1 1 118 118 LEU HG H 1 1.622 0.001 . 1 . . . . 118 LEU HG . 25087 1 1590 . 1 1 118 118 LEU HD11 H 1 0.900 0.002 . 2 . . . . 118 LEU HD1 . 25087 1 1591 . 1 1 118 118 LEU HD12 H 1 0.900 0.002 . 2 . . . . 118 LEU HD1 . 25087 1 1592 . 1 1 118 118 LEU HD13 H 1 0.900 0.002 . 2 . . . . 118 LEU HD1 . 25087 1 1593 . 1 1 118 118 LEU HD21 H 1 0.833 0.001 . 2 . . . . 118 LEU HD2 . 25087 1 1594 . 1 1 118 118 LEU HD22 H 1 0.833 0.001 . 2 . . . . 118 LEU HD2 . 25087 1 1595 . 1 1 118 118 LEU HD23 H 1 0.833 0.001 . 2 . . . . 118 LEU HD2 . 25087 1 1596 . 1 1 118 118 LEU C C 13 177.920 0.008 . 1 . . . . 118 LEU C . 25087 1 1597 . 1 1 118 118 LEU CA C 13 55.926 0.040 . 1 . . . . 118 LEU CA . 25087 1 1598 . 1 1 118 118 LEU CB C 13 42.226 0.037 . 1 . . . . 118 LEU CB . 25087 1 1599 . 1 1 118 118 LEU CG C 13 26.934 0.025 . 1 . . . . 118 LEU CG . 25087 1 1600 . 1 1 118 118 LEU CD1 C 13 25.010 0.057 . 2 . . . . 118 LEU CD1 . 25087 1 1601 . 1 1 118 118 LEU CD2 C 13 23.373 0.016 . 2 . . . . 118 LEU CD2 . 25087 1 1602 . 1 1 118 118 LEU N N 15 122.099 0.003 . 1 . . . . 118 LEU N . 25087 1 1603 . 1 1 119 119 GLU H H 1 8.202 0.002 . 1 . . . . 119 GLU H . 25087 1 1604 . 1 1 119 119 GLU HA H 1 4.132 0.004 . 1 . . . . 119 GLU HA . 25087 1 1605 . 1 1 119 119 GLU HB2 H 1 1.888 0.002 . 1 . . . . 119 GLU HB2 . 25087 1 1606 . 1 1 119 119 GLU HB3 H 1 1.888 0.002 . 1 . . . . 119 GLU HB3 . 25087 1 1607 . 1 1 119 119 GLU HG2 H 1 2.210 0.003 . 2 . . . . 119 GLU HG2 . 25087 1 1608 . 1 1 119 119 GLU HG3 H 1 2.128 0.001 . 2 . . . . 119 GLU HG3 . 25087 1 1609 . 1 1 119 119 GLU C C 13 176.546 0.007 . 1 . . . . 119 GLU C . 25087 1 1610 . 1 1 119 119 GLU CA C 13 56.974 0.050 . 1 . . . . 119 GLU CA . 25087 1 1611 . 1 1 119 119 GLU CB C 13 29.973 0.042 . 1 . . . . 119 GLU CB . 25087 1 1612 . 1 1 119 119 GLU CG C 13 36.184 0.026 . 1 . . . . 119 GLU CG . 25087 1 1613 . 1 1 119 119 GLU N N 15 119.476 0.009 . 1 . . . . 119 GLU N . 25087 1 1614 . 1 1 120 120 HIS H H 1 8.151 0.002 . 1 . . . . 120 HIS H . 25087 1 1615 . 1 1 120 120 HIS HA H 1 4.636 0.009 . 1 . . . . 120 HIS HA . 25087 1 1616 . 1 1 120 120 HIS HB2 H 1 3.166 0.003 . 1 . . . . 120 HIS HB2 . 25087 1 1617 . 1 1 120 120 HIS HB3 H 1 3.166 0.003 . 1 . . . . 120 HIS HB3 . 25087 1 1618 . 1 1 120 120 HIS C C 13 173.835 0.030 . 1 . . . . 120 HIS C . 25087 1 1619 . 1 1 120 120 HIS CA C 13 55.778 0.052 . 1 . . . . 120 HIS CA . 25087 1 1620 . 1 1 120 120 HIS CB C 13 29.699 0.075 . 1 . . . . 120 HIS CB . 25087 1 1621 . 1 1 120 120 HIS N N 15 118.057 0.007 . 1 . . . . 120 HIS N . 25087 1 1622 . 1 1 121 121 HIS H H 1 8.255 0.004 . 1 . . . . 121 HIS H . 25087 1 1623 . 1 1 121 121 HIS HA H 1 4.448 0.004 . 1 . . . . 121 HIS HA . 25087 1 1624 . 1 1 121 121 HIS HB2 H 1 3.233 0.002 . 2 . . . . 121 HIS HB2 . 25087 1 1625 . 1 1 121 121 HIS HB3 H 1 3.101 0.001 . 2 . . . . 121 HIS HB3 . 25087 1 1626 . 1 1 121 121 HIS C C 13 179.056 0.030 . 1 . . . . 121 HIS C . 25087 1 1627 . 1 1 121 121 HIS CA C 13 57.195 0.020 . 1 . . . . 121 HIS CA . 25087 1 1628 . 1 1 121 121 HIS CB C 13 30.034 0.034 . 1 . . . . 121 HIS CB . 25087 1 1629 . 1 1 121 121 HIS N N 15 125.326 0.011 . 1 . . . . 121 HIS N . 25087 1 stop_ save_