data_5850 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5850 _Entry.Title ; Kinetic and Structural Studies of the Low Moleuclar Weight Protein Tyrosine Phosphatase from Tritrichomonas foetus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-26 _Entry.Accession_date 2003-06-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Thomas . L. . 5850 2 K. Hallenga . . . 5850 3 C. Stauffacher . V. . 5850 4 R. 'Van Etten' . L. . 5850 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5850 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 900 5850 '13C chemical shifts' 439 5850 '15N chemical shifts' 153 5850 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 . . 2005-10-21 . update author 'update citation' 5850 2 . . 2004-05-15 . original author 'original release' 5850 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5850 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16195543 _Citation.Full_citation . _Citation.Title ; Solution structure of the low-molecular-weight protein tyrosine phosphatase from Tritrichomonas foetus reveals a flexible phosphate binding loop ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 10 _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 2515 _Citation.Page_last 2525 _Citation.Year 2005 _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 Christin Gustafson . L.T. . 5850 1 2 Cynthia Stauffacher . V. . 5850 1 3 Klaas Hallenga . . . 5850 1 4 Robert 'Van Etten' . L. . 5850 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'low molecular weight protein tyrosine phosphatase' 5850 1 'Tritrichomonas foetus' 5850 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 5850 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12501188 _Citation.Full_citation . _Citation.Title ; Kinetic and spectroscopic studies of Tritrichomonas foetus low-molecular weight phosphotyrosyl phosphatase. Hydrogen bond networks and electrostatic effects ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 52 _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 15601 _Citation.Page_last 15609 _Citation.Year 2002 _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 C. Thomas . L. . 5850 2 2 E. McKinnon . . . 5850 2 3 B. Granger . L. . 5850 2 4 E. Harms . . . 5850 2 5 R. 'Van Etten' . L. . 5850 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tyrosine _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tyrosine _Assembly.Entry_ID 5850 _Assembly.ID 1 _Assembly.Name 'protein tyrosine phosphatase (E.C.3.1.3.48)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5850 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'protein tyrosine phosphatase' 1 $tyrosine . . . native . . . . . 5850 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1P8A . . . . . . 5850 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'protein tyrosine phosphatase (E.C.3.1.3.48)' system 5850 1 'protein tyrosine phosphatase (E.C.3.1.3.48)' abbreviation 5850 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tyrosine _Entity.Sf_category entity _Entity.Sf_framecode tyrosine _Entity.Entry_ID 5850 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein tyrosine phosphatase (E.C.3.1.3.48)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AAEKKAVLFVCLGNICRSPA CEGICRDMVGDKLIIDSAAT SGFHVGQSPDTRSQKVCKSN GVDISKQRARQITKADFSKF DVIAALDQSILSDINSMKPS NCRAKVVLFNPPNGVDDPYY SSDGFPTMFASISKEMKPFL TEHGLI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1P8A . "Solution Structure Of The Low Molecular Weight Protein Tyrosine Phosphatase From Tritrichomonas Foetus" . . . . . 100.00 146 100.00 100.00 1.03e-101 . . . . 5850 1 2 no GB AAB51113 . "protein tyrosine phosphatase [Tritrichomonas foetus]" . . . . . 100.00 147 99.32 100.00 3.24e-101 . . . . 5850 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'protein tyrosine phosphatase (E.C.3.1.3.48)' common 5850 1 'protein tyrosine phosphatase' abbreviation 5850 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 . ALA . 5850 1 2 . ALA . 5850 1 3 . GLU . 5850 1 4 . LYS . 5850 1 5 . LYS . 5850 1 6 . ALA . 5850 1 7 . VAL . 5850 1 8 . LEU . 5850 1 9 . PHE . 5850 1 10 . VAL . 5850 1 11 . CYS . 5850 1 12 . LEU . 5850 1 13 . GLY . 5850 1 14 . ASN . 5850 1 15 . ILE . 5850 1 16 . CYS . 5850 1 17 . ARG . 5850 1 18 . SER . 5850 1 19 . PRO . 5850 1 20 . ALA . 5850 1 21 . CYS . 5850 1 22 . GLU . 5850 1 23 . GLY . 5850 1 24 . ILE . 5850 1 25 . CYS . 5850 1 26 . ARG . 5850 1 27 . ASP . 5850 1 28 . MET . 5850 1 29 . VAL . 5850 1 30 . GLY . 5850 1 31 . ASP . 5850 1 32 . LYS . 5850 1 33 . LEU . 5850 1 34 . ILE . 5850 1 35 . ILE . 5850 1 36 . ASP . 5850 1 37 . SER . 5850 1 38 . ALA . 5850 1 39 . ALA . 5850 1 40 . THR . 5850 1 41 . SER . 5850 1 42 . GLY . 5850 1 43 . PHE . 5850 1 44 . HIS . 5850 1 45 . VAL . 5850 1 46 . GLY . 5850 1 47 . GLN . 5850 1 48 . SER . 5850 1 49 . PRO . 5850 1 50 . ASP . 5850 1 51 . THR . 5850 1 52 . ARG . 5850 1 53 . SER . 5850 1 54 . GLN . 5850 1 55 . LYS . 5850 1 56 . VAL . 5850 1 57 . CYS . 5850 1 58 . LYS . 5850 1 59 . SER . 5850 1 60 . ASN . 5850 1 61 . GLY . 5850 1 62 . VAL . 5850 1 63 . ASP . 5850 1 64 . ILE . 5850 1 65 . SER . 5850 1 66 . LYS . 5850 1 67 . GLN . 5850 1 68 . ARG . 5850 1 69 . ALA . 5850 1 70 . ARG . 5850 1 71 . GLN . 5850 1 72 . ILE . 5850 1 73 . THR . 5850 1 74 . LYS . 5850 1 75 . ALA . 5850 1 76 . ASP . 5850 1 77 . PHE . 5850 1 78 . SER . 5850 1 79 . LYS . 5850 1 80 . PHE . 5850 1 81 . ASP . 5850 1 82 . VAL . 5850 1 83 . ILE . 5850 1 84 . ALA . 5850 1 85 . ALA . 5850 1 86 . LEU . 5850 1 87 . ASP . 5850 1 88 . GLN . 5850 1 89 . SER . 5850 1 90 . ILE . 5850 1 91 . LEU . 5850 1 92 . SER . 5850 1 93 . ASP . 5850 1 94 . ILE . 5850 1 95 . ASN . 5850 1 96 . SER . 5850 1 97 . MET . 5850 1 98 . LYS . 5850 1 99 . PRO . 5850 1 100 . SER . 5850 1 101 . ASN . 5850 1 102 . CYS . 5850 1 103 . ARG . 5850 1 104 . ALA . 5850 1 105 . LYS . 5850 1 106 . VAL . 5850 1 107 . VAL . 5850 1 108 . LEU . 5850 1 109 . PHE . 5850 1 110 . ASN . 5850 1 111 . PRO . 5850 1 112 . PRO . 5850 1 113 . ASN . 5850 1 114 . GLY . 5850 1 115 . VAL . 5850 1 116 . ASP . 5850 1 117 . ASP . 5850 1 118 . PRO . 5850 1 119 . TYR . 5850 1 120 . TYR . 5850 1 121 . SER . 5850 1 122 . SER . 5850 1 123 . ASP . 5850 1 124 . GLY . 5850 1 125 . PHE . 5850 1 126 . PRO . 5850 1 127 . THR . 5850 1 128 . MET . 5850 1 129 . PHE . 5850 1 130 . ALA . 5850 1 131 . SER . 5850 1 132 . ILE . 5850 1 133 . SER . 5850 1 134 . LYS . 5850 1 135 . GLU . 5850 1 136 . MET . 5850 1 137 . LYS . 5850 1 138 . PRO . 5850 1 139 . PHE . 5850 1 140 . LEU . 5850 1 141 . THR . 5850 1 142 . GLU . 5850 1 143 . HIS . 5850 1 144 . GLY . 5850 1 145 . LEU . 5850 1 146 . ILE . 5850 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 . ALA 1 1 5850 1 . ALA 2 2 5850 1 . GLU 3 3 5850 1 . LYS 4 4 5850 1 . LYS 5 5 5850 1 . ALA 6 6 5850 1 . VAL 7 7 5850 1 . LEU 8 8 5850 1 . PHE 9 9 5850 1 . VAL 10 10 5850 1 . CYS 11 11 5850 1 . LEU 12 12 5850 1 . GLY 13 13 5850 1 . ASN 14 14 5850 1 . ILE 15 15 5850 1 . CYS 16 16 5850 1 . ARG 17 17 5850 1 . SER 18 18 5850 1 . PRO 19 19 5850 1 . ALA 20 20 5850 1 . CYS 21 21 5850 1 . GLU 22 22 5850 1 . GLY 23 23 5850 1 . ILE 24 24 5850 1 . CYS 25 25 5850 1 . ARG 26 26 5850 1 . ASP 27 27 5850 1 . MET 28 28 5850 1 . VAL 29 29 5850 1 . GLY 30 30 5850 1 . ASP 31 31 5850 1 . LYS 32 32 5850 1 . LEU 33 33 5850 1 . ILE 34 34 5850 1 . ILE 35 35 5850 1 . ASP 36 36 5850 1 . SER 37 37 5850 1 . ALA 38 38 5850 1 . ALA 39 39 5850 1 . THR 40 40 5850 1 . SER 41 41 5850 1 . GLY 42 42 5850 1 . PHE 43 43 5850 1 . HIS 44 44 5850 1 . VAL 45 45 5850 1 . GLY 46 46 5850 1 . GLN 47 47 5850 1 . SER 48 48 5850 1 . PRO 49 49 5850 1 . ASP 50 50 5850 1 . THR 51 51 5850 1 . ARG 52 52 5850 1 . SER 53 53 5850 1 . GLN 54 54 5850 1 . LYS 55 55 5850 1 . VAL 56 56 5850 1 . CYS 57 57 5850 1 . LYS 58 58 5850 1 . SER 59 59 5850 1 . ASN 60 60 5850 1 . GLY 61 61 5850 1 . VAL 62 62 5850 1 . ASP 63 63 5850 1 . ILE 64 64 5850 1 . SER 65 65 5850 1 . LYS 66 66 5850 1 . GLN 67 67 5850 1 . ARG 68 68 5850 1 . ALA 69 69 5850 1 . ARG 70 70 5850 1 . GLN 71 71 5850 1 . ILE 72 72 5850 1 . THR 73 73 5850 1 . LYS 74 74 5850 1 . ALA 75 75 5850 1 . ASP 76 76 5850 1 . PHE 77 77 5850 1 . SER 78 78 5850 1 . LYS 79 79 5850 1 . PHE 80 80 5850 1 . ASP 81 81 5850 1 . VAL 82 82 5850 1 . ILE 83 83 5850 1 . ALA 84 84 5850 1 . ALA 85 85 5850 1 . LEU 86 86 5850 1 . ASP 87 87 5850 1 . GLN 88 88 5850 1 . SER 89 89 5850 1 . ILE 90 90 5850 1 . LEU 91 91 5850 1 . SER 92 92 5850 1 . ASP 93 93 5850 1 . ILE 94 94 5850 1 . ASN 95 95 5850 1 . SER 96 96 5850 1 . MET 97 97 5850 1 . LYS 98 98 5850 1 . PRO 99 99 5850 1 . SER 100 100 5850 1 . ASN 101 101 5850 1 . CYS 102 102 5850 1 . ARG 103 103 5850 1 . ALA 104 104 5850 1 . LYS 105 105 5850 1 . VAL 106 106 5850 1 . VAL 107 107 5850 1 . LEU 108 108 5850 1 . PHE 109 109 5850 1 . ASN 110 110 5850 1 . PRO 111 111 5850 1 . PRO 112 112 5850 1 . ASN 113 113 5850 1 . GLY 114 114 5850 1 . VAL 115 115 5850 1 . ASP 116 116 5850 1 . ASP 117 117 5850 1 . PRO 118 118 5850 1 . TYR 119 119 5850 1 . TYR 120 120 5850 1 . SER 121 121 5850 1 . SER 122 122 5850 1 . ASP 123 123 5850 1 . GLY 124 124 5850 1 . PHE 125 125 5850 1 . PRO 126 126 5850 1 . THR 127 127 5850 1 . MET 128 128 5850 1 . PHE 129 129 5850 1 . ALA 130 130 5850 1 . SER 131 131 5850 1 . ILE 132 132 5850 1 . SER 133 133 5850 1 . LYS 134 134 5850 1 . GLU 135 135 5850 1 . MET 136 136 5850 1 . LYS 137 137 5850 1 . PRO 138 138 5850 1 . PHE 139 139 5850 1 . LEU 140 140 5850 1 . THR 141 141 5850 1 . GLU 142 142 5850 1 . HIS 143 143 5850 1 . GLY 144 144 5850 1 . LEU 145 145 5850 1 . ILE 146 146 5850 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 5850 _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 $tyrosine . 5724 . . 'Tritrichomonas foetus' 'Tritrichomonas foetus' . . Eukaryota . Tritrichomonas foetus . . . . . . . . . . . . . . . . . . . . . 5850 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 5850 _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 $tyrosine . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET23D . . . . . . 5850 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5850 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'protein tyrosine phosphatase (E.C.3.1.3.48)' '[U-15N; U-13C]' . . 1 $tyrosine . . . 1 2 mM . . . . 5850 1 2 NaCl . . . . . . . 130 . . mM . . . . 5850 1 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 5850 1 4 DSS . . . . . . . 1 . . mM . . . . 5850 1 5 H20 . . . . . . . 90 . . % . . . . 5850 1 6 D2O . . . . . . . 10 . . % . . . . 5850 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5850 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'protein tyrosine phosphatase (E.C.3.1.3.48)' [U-15N] . . 1 $tyrosine . . . 1 2 mM . . . . 5850 2 2 NaCl . . . . . . . 130 . . mM . . . . 5850 2 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 5850 2 4 DSS . . . . . . . 1 . . mM . . . . 5850 2 5 H20 . . . . . . . 90 . . % . . . . 5850 2 6 D2O . . . . . . . 10 . . % . . . . 5850 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5850 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 . n/a 5850 1 temperature 298 . K 5850 1 'ionic strength' 130 . mM 5850 1 pressure 1 . atm 5850 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5850 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5850 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5850 _Software.ID 2 _Software.Name NMRPipe _Software.Version NA _Software.Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer,and Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5850 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5850 _Software.ID 3 _Software.Name SPARKY _Software.Version 3 _Software.Details 'Goddard and Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5850 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5850 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5850 4 refinement 5850 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5850 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5850 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5850 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 5850 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5850 1 2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5850 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5850 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5850 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5850 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5850 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5850 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS methyl . . . . ppm 0.00 direct direct 1 External Cylindrical Parallel . . . . . . 5850 1 N 15 DSS methyl . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5850 1 C 13 DSS methyl . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5850 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5850 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5850 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 ALA CA C 13 51.965 0.176 . 1 . . . . . . . . 5850 1 2 . 1 1 1 1 ALA CB C 13 19.492 0.189 . 1 . . . . . . . . 5850 1 3 . 1 1 1 1 ALA HA H 1 4.136 0.013 . 1 . . . . . . . . 5850 1 4 . 1 1 1 1 ALA HB1 H 1 1.583 0.017 . 1 . . . . . . . . 5850 1 5 . 1 1 1 1 ALA HB2 H 1 1.583 0.017 . 1 . . . . . . . . 5850 1 6 . 1 1 1 1 ALA HB3 H 1 1.583 0.017 . 1 . . . . . . . . 5850 1 7 . 1 1 2 2 ALA CA C 13 52.531 0.185 . 1 . . . . . . . . 5850 1 8 . 1 1 2 2 ALA CB C 13 19.339 0.235 . 1 . . . . . . . . 5850 1 9 . 1 1 2 2 ALA HA H 1 4.389 0.013 . 1 . . . . . . . . 5850 1 10 . 1 1 2 2 ALA HB1 H 1 1.436 0.012 . 1 . . . . . . . . 5850 1 11 . 1 1 2 2 ALA HB2 H 1 1.436 0.012 . 1 . . . . . . . . 5850 1 12 . 1 1 2 2 ALA HB3 H 1 1.436 0.012 . 1 . . . . . . . . 5850 1 13 . 1 1 2 2 ALA H H 1 8.621 0.011 . 1 . . . . . . . . 5850 1 14 . 1 1 2 2 ALA N N 15 123.457 0.051 . 1 . . . . . . . . 5850 1 15 . 1 1 3 3 GLU CA C 13 56.399 0.086 . 1 . . . . . . . . 5850 1 16 . 1 1 3 3 GLU CB C 13 30.430 0.157 . 1 . . . . . . . . 5850 1 17 . 1 1 3 3 GLU CG C 13 35.950 0.064 . 1 . . . . . . . . 5850 1 18 . 1 1 3 3 GLU HA H 1 4.326 0.010 . 1 . . . . . . . . 5850 1 19 . 1 1 3 3 GLU HB2 H 1 2.047 0.021 . 2 . . . . . . . . 5850 1 20 . 1 1 3 3 GLU HB3 H 1 1.958 0.021 . 2 . . . . . . . . 5850 1 21 . 1 1 3 3 GLU HG2 H 1 2.335 0.007 . 2 . . . . . . . . 5850 1 22 . 1 1 3 3 GLU H H 1 8.511 0.007 . 1 . . . . . . . . 5850 1 23 . 1 1 3 3 GLU N N 15 121.243 0.046 . 1 . . . . . . . . 5850 1 24 . 1 1 4 4 LYS CA C 13 56.604 0.087 . 1 . . . . . . . . 5850 1 25 . 1 1 4 4 LYS CB C 13 34.283 0.116 . 1 . . . . . . . . 5850 1 26 . 1 1 4 4 LYS CD C 13 29.709 0.053 . 1 . . . . . . . . 5850 1 27 . 1 1 4 4 LYS CE C 13 42.411 0.164 . 1 . . . . . . . . 5850 1 28 . 1 1 4 4 LYS CG C 13 25.534 0.103 . 1 . . . . . . . . 5850 1 29 . 1 1 4 4 LYS HA H 1 4.403 0.020 . 1 . . . . . . . . 5850 1 30 . 1 1 4 4 LYS HB2 H 1 1.912 0.009 . 2 . . . . . . . . 5850 1 31 . 1 1 4 4 LYS HB3 H 1 1.702 0.012 . 2 . . . . . . . . 5850 1 32 . 1 1 4 4 LYS HD2 H 1 1.575 0.022 . 2 . . . . . . . . 5850 1 33 . 1 1 4 4 LYS HE2 H 1 3.020 0.018 . 2 . . . . . . . . 5850 1 34 . 1 1 4 4 LYS HG2 H 1 1.523 0.015 . 2 . . . . . . . . 5850 1 35 . 1 1 4 4 LYS H H 1 8.360 0.007 . 1 . . . . . . . . 5850 1 36 . 1 1 4 4 LYS N N 15 123.586 0.075 . 1 . . . . . . . . 5850 1 37 . 1 1 5 5 LYS CA C 13 56.258 0.129 . 1 . . . . . . . . 5850 1 38 . 1 1 5 5 LYS CB C 13 34.084 0.184 . 1 . . . . . . . . 5850 1 39 . 1 1 5 5 LYS CG C 13 26.108 0.062 . 1 . . . . . . . . 5850 1 40 . 1 1 5 5 LYS HA H 1 4.537 0.013 . 1 . . . . . . . . 5850 1 41 . 1 1 5 5 LYS HE2 H 1 3.099 0.000 . 2 . . . . . . . . 5850 1 42 . 1 1 5 5 LYS HG2 H 1 1.666 0.016 . 2 . . . . . . . . 5850 1 43 . 1 1 5 5 LYS HG3 H 1 1.477 0.000 . 2 . . . . . . . . 5850 1 44 . 1 1 5 5 LYS H H 1 8.726 0.011 . 1 . . . . . . . . 5850 1 45 . 1 1 5 5 LYS N N 15 123.579 0.066 . 1 . . . . . . . . 5850 1 46 . 1 1 6 6 ALA CA C 13 50.773 0.092 . 1 . . . . . . . . 5850 1 47 . 1 1 6 6 ALA CB C 13 24.234 0.130 . 1 . . . . . . . . 5850 1 48 . 1 1 6 6 ALA HA H 1 5.918 0.016 . 1 . . . . . . . . 5850 1 49 . 1 1 6 6 ALA HB1 H 1 1.300 0.010 . 1 . . . . . . . . 5850 1 50 . 1 1 6 6 ALA HB2 H 1 1.300 0.010 . 1 . . . . . . . . 5850 1 51 . 1 1 6 6 ALA HB3 H 1 1.300 0.010 . 1 . . . . . . . . 5850 1 52 . 1 1 6 6 ALA H H 1 9.103 0.013 . 1 . . . . . . . . 5850 1 53 . 1 1 6 6 ALA N N 15 122.580 0.063 . 1 . . . . . . . . 5850 1 54 . 1 1 7 7 VAL CA C 13 58.125 0.126 . 1 . . . . . . . . 5850 1 55 . 1 1 7 7 VAL CB C 13 36.025 0.116 . 1 . . . . . . . . 5850 1 56 . 1 1 7 7 VAL CG1 C 13 20.182 0.252 . 2 . . . . . . . . 5850 1 57 . 1 1 7 7 VAL CG2 C 13 21.097 0.274 . 2 . . . . . . . . 5850 1 58 . 1 1 7 7 VAL HA H 1 5.409 0.012 . 1 . . . . . . . . 5850 1 59 . 1 1 7 7 VAL HB H 1 1.808 0.017 . 1 . . . . . . . . 5850 1 60 . 1 1 7 7 VAL HG11 H 1 1.006 0.014 . 2 . . . . . . . . 5850 1 61 . 1 1 7 7 VAL HG12 H 1 1.006 0.014 . 2 . . . . . . . . 5850 1 62 . 1 1 7 7 VAL HG13 H 1 1.006 0.014 . 2 . . . . . . . . 5850 1 63 . 1 1 7 7 VAL HG21 H 1 0.318 0.013 . 2 . . . . . . . . 5850 1 64 . 1 1 7 7 VAL HG22 H 1 0.318 0.013 . 2 . . . . . . . . 5850 1 65 . 1 1 7 7 VAL HG23 H 1 0.318 0.013 . 2 . . . . . . . . 5850 1 66 . 1 1 7 7 VAL H H 1 9.575 0.027 . 1 . . . . . . . . 5850 1 67 . 1 1 7 7 VAL N N 15 124.594 0.061 . 1 . . . . . . . . 5850 1 68 . 1 1 8 8 LEU CA C 13 51.241 0.108 . 1 . . . . . . . . 5850 1 69 . 1 1 8 8 LEU CB C 13 44.097 0.147 . 1 . . . . . . . . 5850 1 70 . 1 1 8 8 LEU CD1 C 13 24.954 0.082 . 1 . . . . . . . . 5850 1 71 . 1 1 8 8 LEU CD2 C 13 23.474 0.031 . 1 . . . . . . . . 5850 1 72 . 1 1 8 8 LEU CG C 13 25.880 0.041 . 1 . . . . . . . . 5850 1 73 . 1 1 8 8 LEU HA H 1 4.288 0.011 . 1 . . . . . . . . 5850 1 74 . 1 1 8 8 LEU HB2 H 1 -1.002 0.233 . 2 . . . . . . . . 5850 1 75 . 1 1 8 8 LEU HB3 H 1 0.921 0.014 . 2 . . . . . . . . 5850 1 76 . 1 1 8 8 LEU HD11 H 1 0.055 0.014 . 2 . . . . . . . . 5850 1 77 . 1 1 8 8 LEU HD12 H 1 0.055 0.014 . 2 . . . . . . . . 5850 1 78 . 1 1 8 8 LEU HD13 H 1 0.055 0.014 . 2 . . . . . . . . 5850 1 79 . 1 1 8 8 LEU HD21 H 1 0.030 0.010 . 2 . . . . . . . . 5850 1 80 . 1 1 8 8 LEU HD22 H 1 0.030 0.010 . 2 . . . . . . . . 5850 1 81 . 1 1 8 8 LEU HD23 H 1 0.030 0.010 . 2 . . . . . . . . 5850 1 82 . 1 1 8 8 LEU HG H 1 0.640 0.020 . 2 . . . . . . . . 5850 1 83 . 1 1 8 8 LEU H H 1 7.870 0.011 . 1 . . . . . . . . 5850 1 84 . 1 1 8 8 LEU N N 15 127.908 0.083 . 1 . . . . . . . . 5850 1 85 . 1 1 9 9 PHE CA C 13 57.296 0.078 . 1 . . . . . . . . 5850 1 86 . 1 1 9 9 PHE CB C 13 41.381 0.283 . 1 . . . . . . . . 5850 1 87 . 1 1 9 9 PHE HA H 1 4.895 0.014 . 1 . . . . . . . . 5850 1 88 . 1 1 9 9 PHE HB2 H 1 2.659 0.025 . 2 . . . . . . . . 5850 1 89 . 1 1 9 9 PHE HB3 H 1 2.516 0.008 . 2 . . . . . . . . 5850 1 90 . 1 1 9 9 PHE HD2 H 1 7.246 0.016 . 3 . . . . . . . . 5850 1 91 . 1 1 9 9 PHE HE2 H 1 6.990 0.037 . 3 . . . . . . . . 5850 1 92 . 1 1 9 9 PHE H H 1 8.307 0.009 . 1 . . . . . . . . 5850 1 93 . 1 1 9 9 PHE N N 15 125.291 0.064 . 1 . . . . . . . . 5850 1 94 . 1 1 10 10 VAL CA C 13 60.259 0.101 . 1 . . . . . . . . 5850 1 95 . 1 1 10 10 VAL CB C 13 35.160 0.106 . 1 . . . . . . . . 5850 1 96 . 1 1 10 10 VAL CG1 C 13 22.752 0.349 . 2 . . . . . . . . 5850 1 97 . 1 1 10 10 VAL CG2 C 13 23.233 0.068 . 2 . . . . . . . . 5850 1 98 . 1 1 10 10 VAL HA H 1 5.484 0.011 . 1 . . . . . . . . 5850 1 99 . 1 1 10 10 VAL HB H 1 1.580 0.008 . 1 . . . . . . . . 5850 1 100 . 1 1 10 10 VAL HG11 H 1 0.810 0.011 . 2 . . . . . . . . 5850 1 101 . 1 1 10 10 VAL HG12 H 1 0.810 0.011 . 2 . . . . . . . . 5850 1 102 . 1 1 10 10 VAL HG13 H 1 0.810 0.011 . 2 . . . . . . . . 5850 1 103 . 1 1 10 10 VAL HG21 H 1 0.482 0.013 . 2 . . . . . . . . 5850 1 104 . 1 1 10 10 VAL HG22 H 1 0.482 0.013 . 2 . . . . . . . . 5850 1 105 . 1 1 10 10 VAL HG23 H 1 0.482 0.013 . 2 . . . . . . . . 5850 1 106 . 1 1 10 10 VAL H H 1 8.850 0.009 . 1 . . . . . . . . 5850 1 107 . 1 1 10 10 VAL N N 15 121.744 0.065 . 1 . . . . . . . . 5850 1 108 . 1 1 11 11 CYS CA C 13 57.154 0.351 . 1 . . . . . . . . 5850 1 109 . 1 1 11 11 CYS CB C 13 32.155 0.235 . 1 . . . . . . . . 5850 1 110 . 1 1 11 11 CYS HA H 1 5.435 0.016 . 1 . . . . . . . . 5850 1 111 . 1 1 11 11 CYS HB2 H 1 2.633 0.011 . 2 . . . . . . . . 5850 1 112 . 1 1 11 11 CYS HB3 H 1 2.742 0.010 . 2 . . . . . . . . 5850 1 113 . 1 1 11 11 CYS H H 1 8.441 0.017 . 1 . . . . . . . . 5850 1 114 . 1 1 11 11 CYS N N 15 123.747 0.039 . 1 . . . . . . . . 5850 1 115 . 1 1 12 12 LEU CA C 13 58.331 0.105 . 1 . . . . . . . . 5850 1 116 . 1 1 12 12 LEU CB C 13 42.032 0.223 . 1 . . . . . . . . 5850 1 117 . 1 1 12 12 LEU CD1 C 13 23.897 0.164 . 2 . . . . . . . . 5850 1 118 . 1 1 12 12 LEU CD2 C 13 25.778 0.064 . 2 . . . . . . . . 5850 1 119 . 1 1 12 12 LEU CG C 13 27.352 0.086 . 1 . . . . . . . . 5850 1 120 . 1 1 12 12 LEU HA H 1 4.856 0.026 . 1 . . . . . . . . 5850 1 121 . 1 1 12 12 LEU HB2 H 1 2.138 0.009 . 2 . . . . . . . . 5850 1 122 . 1 1 12 12 LEU HB3 H 1 1.738 0.027 . 2 . . . . . . . . 5850 1 123 . 1 1 12 12 LEU HD11 H 1 1.054 0.015 . 2 . . . . . . . . 5850 1 124 . 1 1 12 12 LEU HD12 H 1 1.054 0.015 . 2 . . . . . . . . 5850 1 125 . 1 1 12 12 LEU HD13 H 1 1.054 0.015 . 2 . . . . . . . . 5850 1 126 . 1 1 12 12 LEU HD21 H 1 1.071 0.010 . 2 . . . . . . . . 5850 1 127 . 1 1 12 12 LEU HD22 H 1 1.071 0.010 . 2 . . . . . . . . 5850 1 128 . 1 1 12 12 LEU HD23 H 1 1.071 0.010 . 2 . . . . . . . . 5850 1 129 . 1 1 12 12 LEU HG H 1 1.652 0.015 . 1 . . . . . . . . 5850 1 130 . 1 1 12 12 LEU H H 1 8.088 0.041 . 1 . . . . . . . . 5850 1 131 . 1 1 12 12 LEU N N 15 121.581 0.070 . 1 . . . . . . . . 5850 1 132 . 1 1 13 13 GLY CA C 13 45.920 0.139 . 1 . . . . . . . . 5850 1 133 . 1 1 13 13 GLY HA2 H 1 3.678 0.018 . 2 . . . . . . . . 5850 1 134 . 1 1 13 13 GLY HA3 H 1 4.680 0.005 . 2 . . . . . . . . 5850 1 135 . 1 1 13 13 GLY H H 1 8.359 0.016 . 1 . . . . . . . . 5850 1 136 . 1 1 13 13 GLY N N 15 102.292 0.095 . 1 . . . . . . . . 5850 1 137 . 1 1 14 14 ASN CA C 13 55.108 0.086 . 1 . . . . . . . . 5850 1 138 . 1 1 14 14 ASN CB C 13 40.825 0.122 . 1 . . . . . . . . 5850 1 139 . 1 1 14 14 ASN HA H 1 3.946 0.009 . 1 . . . . . . . . 5850 1 140 . 1 1 14 14 ASN HB2 H 1 2.311 0.007 . 2 . . . . . . . . 5850 1 141 . 1 1 14 14 ASN HB3 H 1 3.180 0.005 . 2 . . . . . . . . 5850 1 142 . 1 1 14 14 ASN HD21 H 1 7.661 0.000 . 2 . . . . . . . . 5850 1 143 . 1 1 14 14 ASN HD22 H 1 7.021 0.014 . 2 . . . . . . . . 5850 1 144 . 1 1 14 14 ASN H H 1 9.094 0.021 . 1 . . . . . . . . 5850 1 145 . 1 1 14 14 ASN N N 15 119.996 0.068 . 1 . . . . . . . . 5850 1 146 . 1 1 14 14 ASN ND2 N 15 113.993 0.005 . 1 . . . . . . . . 5850 1 147 . 1 1 15 15 ILE CA C 13 62.911 0.137 . 1 . . . . . . . . 5850 1 148 . 1 1 15 15 ILE CB C 13 41.648 0.095 . 1 . . . . . . . . 5850 1 149 . 1 1 15 15 ILE CD1 C 13 14.189 0.074 . 2 . . . . . . . . 5850 1 150 . 1 1 15 15 ILE CG1 C 13 26.762 0.093 . 2 . . . . . . . . 5850 1 151 . 1 1 15 15 ILE CG2 C 13 19.676 0.064 . 2 . . . . . . . . 5850 1 152 . 1 1 15 15 ILE HA H 1 4.639 0.007 . 1 . . . . . . . . 5850 1 153 . 1 1 15 15 ILE HB H 1 1.916 0.011 . 1 . . . . . . . . 5850 1 154 . 1 1 15 15 ILE HD11 H 1 0.283 0.013 . 1 . . . . . . . . 5850 1 155 . 1 1 15 15 ILE HD12 H 1 0.283 0.013 . 1 . . . . . . . . 5850 1 156 . 1 1 15 15 ILE HD13 H 1 0.283 0.013 . 1 . . . . . . . . 5850 1 157 . 1 1 15 15 ILE HG12 H 1 0.467 0.023 . 2 . . . . . . . . 5850 1 158 . 1 1 15 15 ILE HG13 H 1 1.530 0.006 . 2 . . . . . . . . 5850 1 159 . 1 1 15 15 ILE HG21 H 1 0.736 0.010 . 1 . . . . . . . . 5850 1 160 . 1 1 15 15 ILE HG22 H 1 0.736 0.010 . 1 . . . . . . . . 5850 1 161 . 1 1 15 15 ILE HG23 H 1 0.736 0.010 . 1 . . . . . . . . 5850 1 162 . 1 1 15 15 ILE H H 1 8.043 0.017 . 1 . . . . . . . . 5850 1 163 . 1 1 15 15 ILE N N 15 103.577 0.153 . 1 . . . . . . . . 5850 1 164 . 1 1 16 16 CYS CA C 13 57.274 0.233 . 1 . . . . . . . . 5850 1 165 . 1 1 16 16 CYS CB C 13 30.719 0.108 . 1 . . . . . . . . 5850 1 166 . 1 1 16 16 CYS HA H 1 5.447 0.010 . 1 . . . . . . . . 5850 1 167 . 1 1 16 16 CYS HB2 H 1 2.960 0.011 . 2 . . . . . . . . 5850 1 168 . 1 1 16 16 CYS HB3 H 1 3.529 0.016 . 2 . . . . . . . . 5850 1 169 . 1 1 16 16 CYS H H 1 8.282 0.038 . 1 . . . . . . . . 5850 1 170 . 1 1 16 16 CYS N N 15 122.720 0.090 . 1 . . . . . . . . 5850 1 171 . 1 1 17 17 ARG CD C 13 44.311 0.068 . 1 . . . . . . . . 5850 1 172 . 1 1 17 17 ARG HD2 H 1 2.725 0.017 . 2 . . . . . . . . 5850 1 173 . 1 1 17 17 ARG HD3 H 1 3.421 0.035 . 2 . . . . . . . . 5850 1 174 . 1 1 17 17 ARG HH22 H 1 7.664 0.016 . 2 . . . . . . . . 5850 1 175 . 1 1 17 17 ARG H H 1 8.270 0.003 . 1 . . . . . . . . 5850 1 176 . 1 1 17 17 ARG N N 15 115.833 0.023 . 1 . . . . . . . . 5850 1 177 . 1 1 18 18 SER H H 1 10.370 0.002 . 1 . . . . . . . . 5850 1 178 . 1 1 19 19 PRO CA C 13 65.870 0.193 . 1 . . . . . . . . 5850 1 179 . 1 1 19 19 PRO CB C 13 32.510 0.140 . 1 . . . . . . . . 5850 1 180 . 1 1 19 19 PRO CD C 13 50.660 0.166 . 1 . . . . . . . . 5850 1 181 . 1 1 19 19 PRO HA H 1 4.328 0.012 . 1 . . . . . . . . 5850 1 182 . 1 1 19 19 PRO HB2 H 1 1.312 0.016 . 2 . . . . . . . . 5850 1 183 . 1 1 19 19 PRO HB3 H 1 2.299 0.002 . 2 . . . . . . . . 5850 1 184 . 1 1 19 19 PRO HD2 H 1 3.180 0.042 . 2 . . . . . . . . 5850 1 185 . 1 1 19 19 PRO HD3 H 1 3.778 0.005 . 2 . . . . . . . . 5850 1 186 . 1 1 19 19 PRO HG2 H 1 2.302 0.000 . 2 . . . . . . . . 5850 1 187 . 1 1 20 20 ALA CA C 13 55.142 0.107 . 1 . . . . . . . . 5850 1 188 . 1 1 20 20 ALA CB C 13 17.323 0.114 . 1 . . . . . . . . 5850 1 189 . 1 1 20 20 ALA HA H 1 4.103 0.014 . 1 . . . . . . . . 5850 1 190 . 1 1 20 20 ALA HB1 H 1 1.304 0.009 . 1 . . . . . . . . 5850 1 191 . 1 1 20 20 ALA HB2 H 1 1.304 0.009 . 1 . . . . . . . . 5850 1 192 . 1 1 20 20 ALA HB3 H 1 1.304 0.009 . 1 . . . . . . . . 5850 1 193 . 1 1 20 20 ALA H H 1 6.470 0.008 . 1 . . . . . . . . 5850 1 194 . 1 1 20 20 ALA N N 15 117.378 0.046 . 1 . . . . . . . . 5850 1 195 . 1 1 21 21 CYS CA C 13 63.044 0.098 . 1 . . . . . . . . 5850 1 196 . 1 1 21 21 CYS CB C 13 25.738 0.167 . 1 . . . . . . . . 5850 1 197 . 1 1 21 21 CYS HA H 1 3.172 0.017 . 1 . . . . . . . . 5850 1 198 . 1 1 21 21 CYS HB2 H 1 0.209 0.024 . 2 . . . . . . . . 5850 1 199 . 1 1 21 21 CYS HB3 H 1 2.365 0.009 . 2 . . . . . . . . 5850 1 200 . 1 1 21 21 CYS H H 1 7.597 0.008 . 1 . . . . . . . . 5850 1 201 . 1 1 21 21 CYS N N 15 114.932 0.049 . 1 . . . . . . . . 5850 1 202 . 1 1 22 22 GLU CA C 13 59.179 0.138 . 1 . . . . . . . . 5850 1 203 . 1 1 22 22 GLU CB C 13 28.423 0.158 . 1 . . . . . . . . 5850 1 204 . 1 1 22 22 GLU CG C 13 33.870 0.090 . 1 . . . . . . . . 5850 1 205 . 1 1 22 22 GLU HA H 1 3.651 0.019 . 1 . . . . . . . . 5850 1 206 . 1 1 22 22 GLU HB2 H 1 1.493 0.005 . 2 . . . . . . . . 5850 1 207 . 1 1 22 22 GLU HB3 H 1 1.293 0.005 . 2 . . . . . . . . 5850 1 208 . 1 1 22 22 GLU HG2 H 1 2.147 0.033 . 2 . . . . . . . . 5850 1 209 . 1 1 22 22 GLU H H 1 7.855 0.010 . 1 . . . . . . . . 5850 1 210 . 1 1 22 22 GLU N N 15 118.842 0.072 . 1 . . . . . . . . 5850 1 211 . 1 1 23 23 GLY CA C 13 47.644 0.102 . 1 . . . . . . . . 5850 1 212 . 1 1 23 23 GLY HA2 H 1 3.353 0.013 . 2 . . . . . . . . 5850 1 213 . 1 1 23 23 GLY HA3 H 1 3.817 0.014 . 2 . . . . . . . . 5850 1 214 . 1 1 23 23 GLY H H 1 8.027 0.011 . 1 . . . . . . . . 5850 1 215 . 1 1 23 23 GLY N N 15 104.151 0.091 . 1 . . . . . . . . 5850 1 216 . 1 1 24 24 ILE CA C 13 65.706 0.076 . 1 . . . . . . . . 5850 1 217 . 1 1 24 24 ILE CB C 13 38.245 0.162 . 1 . . . . . . . . 5850 1 218 . 1 1 24 24 ILE CD1 C 13 14.056 0.096 . 2 . . . . . . . . 5850 1 219 . 1 1 24 24 ILE CG1 C 13 30.714 0.074 . 2 . . . . . . . . 5850 1 220 . 1 1 24 24 ILE CG2 C 13 17.005 0.083 . 2 . . . . . . . . 5850 1 221 . 1 1 24 24 ILE HA H 1 3.650 0.010 . 1 . . . . . . . . 5850 1 222 . 1 1 24 24 ILE HB H 1 1.472 0.012 . 1 . . . . . . . . 5850 1 223 . 1 1 24 24 ILE HD11 H 1 0.089 0.012 . 1 . . . . . . . . 5850 1 224 . 1 1 24 24 ILE HD12 H 1 0.089 0.012 . 1 . . . . . . . . 5850 1 225 . 1 1 24 24 ILE HD13 H 1 0.089 0.012 . 1 . . . . . . . . 5850 1 226 . 1 1 24 24 ILE HG12 H 1 0.830 0.016 . 2 . . . . . . . . 5850 1 227 . 1 1 24 24 ILE HG13 H 1 1.691 0.009 . 2 . . . . . . . . 5850 1 228 . 1 1 24 24 ILE HG21 H 1 0.807 0.039 . 1 . . . . . . . . 5850 1 229 . 1 1 24 24 ILE HG22 H 1 0.807 0.039 . 1 . . . . . . . . 5850 1 230 . 1 1 24 24 ILE HG23 H 1 0.807 0.039 . 1 . . . . . . . . 5850 1 231 . 1 1 24 24 ILE H H 1 8.687 0.015 . 1 . . . . . . . . 5850 1 232 . 1 1 24 24 ILE N N 15 123.614 0.049 . 1 . . . . . . . . 5850 1 233 . 1 1 25 25 CYS CA C 13 64.113 0.124 . 1 . . . . . . . . 5850 1 234 . 1 1 25 25 CYS CB C 13 27.935 0.128 . 1 . . . . . . . . 5850 1 235 . 1 1 25 25 CYS HA H 1 3.985 0.010 . 1 . . . . . . . . 5850 1 236 . 1 1 25 25 CYS HB2 H 1 3.120 0.011 . 2 . . . . . . . . 5850 1 237 . 1 1 25 25 CYS HB3 H 1 3.201 0.025 . 2 . . . . . . . . 5850 1 238 . 1 1 25 25 CYS H H 1 8.589 0.011 . 1 . . . . . . . . 5850 1 239 . 1 1 25 25 CYS N N 15 120.119 0.064 . 1 . . . . . . . . 5850 1 240 . 1 1 26 26 ARG CA C 13 59.930 0.217 . 1 . . . . . . . . 5850 1 241 . 1 1 26 26 ARG CB C 13 29.476 0.196 . 1 . . . . . . . . 5850 1 242 . 1 1 26 26 ARG CD C 13 43.165 0.092 . 1 . . . . . . . . 5850 1 243 . 1 1 26 26 ARG CG C 13 28.286 0.138 . 1 . . . . . . . . 5850 1 244 . 1 1 26 26 ARG HA H 1 3.940 0.015 . 1 . . . . . . . . 5850 1 245 . 1 1 26 26 ARG HB2 H 1 2.004 0.019 . 2 . . . . . . . . 5850 1 246 . 1 1 26 26 ARG HD2 H 1 3.260 0.016 . 2 . . . . . . . . 5850 1 247 . 1 1 26 26 ARG HD3 H 1 3.461 0.006 . 2 . . . . . . . . 5850 1 248 . 1 1 26 26 ARG HE H 1 7.235 0.011 . 2 . . . . . . . . 5850 1 249 . 1 1 26 26 ARG HG2 H 1 1.798 0.012 . 2 . . . . . . . . 5850 1 250 . 1 1 26 26 ARG HH12 H 1 6.804 0.017 . 2 . . . . . . . . 5850 1 251 . 1 1 26 26 ARG HH22 H 1 7.434 0.000 . 2 . . . . . . . . 5850 1 252 . 1 1 26 26 ARG H H 1 8.616 0.010 . 1 . . . . . . . . 5850 1 253 . 1 1 26 26 ARG N N 15 118.999 0.071 . 1 . . . . . . . . 5850 1 254 . 1 1 26 26 ARG NE N 15 118.363 0.000 . 1 . . . . . . . . 5850 1 255 . 1 1 27 27 ASP CA C 13 57.513 0.127 . 1 . . . . . . . . 5850 1 256 . 1 1 27 27 ASP CB C 13 42.453 0.139 . 1 . . . . . . . . 5850 1 257 . 1 1 27 27 ASP HA H 1 4.497 0.019 . 1 . . . . . . . . 5850 1 258 . 1 1 27 27 ASP HB2 H 1 2.818 0.025 . 2 . . . . . . . . 5850 1 259 . 1 1 27 27 ASP HB3 H 1 2.899 0.054 . 2 . . . . . . . . 5850 1 260 . 1 1 27 27 ASP H H 1 8.112 0.015 . 1 . . . . . . . . 5850 1 261 . 1 1 27 27 ASP N N 15 120.008 0.069 . 1 . . . . . . . . 5850 1 262 . 1 1 28 28 MET CA C 13 59.353 0.132 . 1 . . . . . . . . 5850 1 263 . 1 1 28 28 MET CB C 13 34.502 0.214 . 1 . . . . . . . . 5850 1 264 . 1 1 28 28 MET CE C 13 17.618 0.097 . 1 . . . . . . . . 5850 1 265 . 1 1 28 28 MET CG C 13 32.673 0.081 . 1 . . . . . . . . 5850 1 266 . 1 1 28 28 MET HA H 1 4.356 0.012 . 1 . . . . . . . . 5850 1 267 . 1 1 28 28 MET HB2 H 1 2.365 0.009 . 2 . . . . . . . . 5850 1 268 . 1 1 28 28 MET HB3 H 1 2.186 0.012 . 2 . . . . . . . . 5850 1 269 . 1 1 28 28 MET HE1 H 1 2.244 0.012 . 1 . . . . . . . . 5850 1 270 . 1 1 28 28 MET HE2 H 1 2.244 0.012 . 1 . . . . . . . . 5850 1 271 . 1 1 28 28 MET HE3 H 1 2.244 0.012 . 1 . . . . . . . . 5850 1 272 . 1 1 28 28 MET HG2 H 1 2.560 0.024 . 2 . . . . . . . . 5850 1 273 . 1 1 28 28 MET HG3 H 1 2.943 0.013 . 2 . . . . . . . . 5850 1 274 . 1 1 28 28 MET H H 1 7.807 0.015 . 1 . . . . . . . . 5850 1 275 . 1 1 28 28 MET N N 15 115.600 0.117 . 1 . . . . . . . . 5850 1 276 . 1 1 29 29 VAL CA C 13 60.886 0.129 . 1 . . . . . . . . 5850 1 277 . 1 1 29 29 VAL CB C 13 33.767 0.216 . 1 . . . . . . . . 5850 1 278 . 1 1 29 29 VAL CG1 C 13 21.703 0.066 . 2 . . . . . . . . 5850 1 279 . 1 1 29 29 VAL CG2 C 13 19.955 0.022 . 2 . . . . . . . . 5850 1 280 . 1 1 29 29 VAL HA H 1 4.747 0.010 . 1 . . . . . . . . 5850 1 281 . 1 1 29 29 VAL HB H 1 2.479 0.015 . 1 . . . . . . . . 5850 1 282 . 1 1 29 29 VAL HG11 H 1 0.993 0.013 . 2 . . . . . . . . 5850 1 283 . 1 1 29 29 VAL HG12 H 1 0.993 0.013 . 2 . . . . . . . . 5850 1 284 . 1 1 29 29 VAL HG13 H 1 0.993 0.013 . 2 . . . . . . . . 5850 1 285 . 1 1 29 29 VAL HG21 H 1 1.064 0.014 . 2 . . . . . . . . 5850 1 286 . 1 1 29 29 VAL HG22 H 1 1.064 0.014 . 2 . . . . . . . . 5850 1 287 . 1 1 29 29 VAL HG23 H 1 1.064 0.014 . 2 . . . . . . . . 5850 1 288 . 1 1 29 29 VAL H H 1 8.394 0.010 . 1 . . . . . . . . 5850 1 289 . 1 1 29 29 VAL N N 15 109.209 0.057 . 1 . . . . . . . . 5850 1 290 . 1 1 30 30 GLY CA C 13 47.367 0.153 . 1 . . . . . . . . 5850 1 291 . 1 1 30 30 GLY HA2 H 1 4.076 0.060 . 2 . . . . . . . . 5850 1 292 . 1 1 30 30 GLY HA3 H 1 4.009 0.034 . 2 . . . . . . . . 5850 1 293 . 1 1 30 30 GLY H H 1 8.663 0.010 . 1 . . . . . . . . 5850 1 294 . 1 1 30 30 GLY N N 15 114.927 0.058 . 1 . . . . . . . . 5850 1 295 . 1 1 31 31 ASP CA C 13 53.924 0.115 . 1 . . . . . . . . 5850 1 296 . 1 1 31 31 ASP CB C 13 40.753 0.121 . 1 . . . . . . . . 5850 1 297 . 1 1 31 31 ASP HA H 1 4.918 0.087 . 1 . . . . . . . . 5850 1 298 . 1 1 31 31 ASP HB2 H 1 2.814 0.019 . 2 . . . . . . . . 5850 1 299 . 1 1 31 31 ASP H H 1 8.553 0.017 . 1 . . . . . . . . 5850 1 300 . 1 1 31 31 ASP N N 15 122.887 0.054 . 1 . . . . . . . . 5850 1 301 . 1 1 32 32 LYS CA C 13 58.830 0.083 . 1 . . . . . . . . 5850 1 302 . 1 1 32 32 LYS CB C 13 33.882 0.110 . 1 . . . . . . . . 5850 1 303 . 1 1 32 32 LYS CD C 13 29.188 0.051 . 1 . . . . . . . . 5850 1 304 . 1 1 32 32 LYS CE C 13 42.227 0.000 . 1 . . . . . . . . 5850 1 305 . 1 1 32 32 LYS CG C 13 25.610 0.082 . 1 . . . . . . . . 5850 1 306 . 1 1 32 32 LYS HA H 1 4.156 0.017 . 1 . . . . . . . . 5850 1 307 . 1 1 32 32 LYS HB2 H 1 1.946 0.007 . 2 . . . . . . . . 5850 1 308 . 1 1 32 32 LYS HD2 H 1 1.833 0.012 . 2 . . . . . . . . 5850 1 309 . 1 1 32 32 LYS HE2 H 1 3.156 0.012 . 2 . . . . . . . . 5850 1 310 . 1 1 32 32 LYS HG2 H 1 1.752 0.010 . 2 . . . . . . . . 5850 1 311 . 1 1 32 32 LYS HG3 H 1 1.613 0.018 . 2 . . . . . . . . 5850 1 312 . 1 1 32 32 LYS H H 1 7.754 0.010 . 1 . . . . . . . . 5850 1 313 . 1 1 32 32 LYS N N 15 117.442 0.041 . 1 . . . . . . . . 5850 1 314 . 1 1 33 33 LEU CA C 13 52.671 0.018 . 1 . . . . . . . . 5850 1 315 . 1 1 33 33 LEU CB C 13 46.624 0.075 . 1 . . . . . . . . 5850 1 316 . 1 1 33 33 LEU CD2 C 13 25.359 0.070 . 2 . . . . . . . . 5850 1 317 . 1 1 33 33 LEU CG C 13 26.461 0.046 . 1 . . . . . . . . 5850 1 318 . 1 1 33 33 LEU HA H 1 4.979 0.015 . 1 . . . . . . . . 5850 1 319 . 1 1 33 33 LEU HB2 H 1 1.334 0.013 . 2 . . . . . . . . 5850 1 320 . 1 1 33 33 LEU HB3 H 1 1.535 0.011 . 2 . . . . . . . . 5850 1 321 . 1 1 33 33 LEU HD21 H 1 1.021 0.011 . 2 . . . . . . . . 5850 1 322 . 1 1 33 33 LEU HD22 H 1 1.021 0.011 . 2 . . . . . . . . 5850 1 323 . 1 1 33 33 LEU HD23 H 1 1.021 0.011 . 2 . . . . . . . . 5850 1 324 . 1 1 33 33 LEU HG H 1 0.888 0.014 . 1 . . . . . . . . 5850 1 325 . 1 1 33 33 LEU H H 1 6.941 0.014 . 1 . . . . . . . . 5850 1 326 . 1 1 33 33 LEU N N 15 113.221 0.066 . 1 . . . . . . . . 5850 1 327 . 1 1 34 34 ILE CA C 13 62.078 0.144 . 1 . . . . . . . . 5850 1 328 . 1 1 34 34 ILE CB C 13 37.959 0.109 . 1 . . . . . . . . 5850 1 329 . 1 1 34 34 ILE CD1 C 13 17.083 0.162 . 1 . . . . . . . . 5850 1 330 . 1 1 34 34 ILE CG1 C 13 27.807 0.131 . 2 . . . . . . . . 5850 1 331 . 1 1 34 34 ILE CG2 C 13 13.211 0.124 . 2 . . . . . . . . 5850 1 332 . 1 1 34 34 ILE HA H 1 4.293 0.009 . 1 . . . . . . . . 5850 1 333 . 1 1 34 34 ILE HB H 1 1.772 0.013 . 1 . . . . . . . . 5850 1 334 . 1 1 34 34 ILE HD11 H 1 0.918 0.013 . 1 . . . . . . . . 5850 1 335 . 1 1 34 34 ILE HD12 H 1 0.918 0.013 . 1 . . . . . . . . 5850 1 336 . 1 1 34 34 ILE HD13 H 1 0.918 0.013 . 1 . . . . . . . . 5850 1 337 . 1 1 34 34 ILE HG12 H 1 1.544 0.013 . 2 . . . . . . . . 5850 1 338 . 1 1 34 34 ILE HG13 H 1 1.179 0.016 . 2 . . . . . . . . 5850 1 339 . 1 1 34 34 ILE HG21 H 1 0.866 0.016 . 1 . . . . . . . . 5850 1 340 . 1 1 34 34 ILE HG22 H 1 0.866 0.016 . 1 . . . . . . . . 5850 1 341 . 1 1 34 34 ILE HG23 H 1 0.866 0.016 . 1 . . . . . . . . 5850 1 342 . 1 1 34 34 ILE H H 1 8.802 0.014 . 1 . . . . . . . . 5850 1 343 . 1 1 34 34 ILE N N 15 123.288 0.057 . 1 . . . . . . . . 5850 1 344 . 1 1 35 35 ILE CA C 13 60.127 0.080 . 1 . . . . . . . . 5850 1 345 . 1 1 35 35 ILE CB C 13 41.992 0.089 . 1 . . . . . . . . 5850 1 346 . 1 1 35 35 ILE CD1 C 13 15.858 0.070 . 1 . . . . . . . . 5850 1 347 . 1 1 35 35 ILE CG1 C 13 27.599 0.223 . 2 . . . . . . . . 5850 1 348 . 1 1 35 35 ILE CG2 C 13 20.055 0.048 . 2 . . . . . . . . 5850 1 349 . 1 1 35 35 ILE HA H 1 5.218 0.014 . 1 . . . . . . . . 5850 1 350 . 1 1 35 35 ILE HB H 1 1.647 0.010 . 1 . . . . . . . . 5850 1 351 . 1 1 35 35 ILE HD11 H 1 0.967 0.010 . 1 . . . . . . . . 5850 1 352 . 1 1 35 35 ILE HD12 H 1 0.967 0.010 . 1 . . . . . . . . 5850 1 353 . 1 1 35 35 ILE HD13 H 1 0.967 0.010 . 1 . . . . . . . . 5850 1 354 . 1 1 35 35 ILE HG12 H 1 1.105 0.264 . 2 . . . . . . . . 5850 1 355 . 1 1 35 35 ILE HG13 H 1 1.636 0.014 . 2 . . . . . . . . 5850 1 356 . 1 1 35 35 ILE HG21 H 1 1.287 0.008 . 1 . . . . . . . . 5850 1 357 . 1 1 35 35 ILE HG22 H 1 1.287 0.008 . 1 . . . . . . . . 5850 1 358 . 1 1 35 35 ILE HG23 H 1 1.287 0.008 . 1 . . . . . . . . 5850 1 359 . 1 1 35 35 ILE H H 1 8.614 0.007 . 1 . . . . . . . . 5850 1 360 . 1 1 35 35 ILE N N 15 127.821 0.047 . 1 . . . . . . . . 5850 1 361 . 1 1 36 36 ASP CA C 13 52.005 0.129 . 1 . . . . . . . . 5850 1 362 . 1 1 36 36 ASP CB C 13 45.878 0.095 . 1 . . . . . . . . 5850 1 363 . 1 1 36 36 ASP HA H 1 5.103 0.018 . 1 . . . . . . . . 5850 1 364 . 1 1 36 36 ASP HB2 H 1 2.590 0.014 . 2 . . . . . . . . 5850 1 365 . 1 1 36 36 ASP HB3 H 1 2.771 0.011 . 2 . . . . . . . . 5850 1 366 . 1 1 36 36 ASP H H 1 8.696 0.012 . 1 . . . . . . . . 5850 1 367 . 1 1 36 36 ASP N N 15 125.991 0.050 . 1 . . . . . . . . 5850 1 368 . 1 1 37 37 SER CA C 13 57.804 0.103 . 1 . . . . . . . . 5850 1 369 . 1 1 37 37 SER CB C 13 65.578 0.072 . 1 . . . . . . . . 5850 1 370 . 1 1 37 37 SER HA H 1 5.546 0.016 . 1 . . . . . . . . 5850 1 371 . 1 1 37 37 SER HB2 H 1 3.594 0.042 . 2 . . . . . . . . 5850 1 372 . 1 1 37 37 SER HB3 H 1 3.914 0.031 . 2 . . . . . . . . 5850 1 373 . 1 1 37 37 SER H H 1 8.747 0.008 . 1 . . . . . . . . 5850 1 374 . 1 1 37 37 SER N N 15 114.879 0.065 . 1 . . . . . . . . 5850 1 375 . 1 1 38 38 ALA CA C 13 51.182 0.111 . 1 . . . . . . . . 5850 1 376 . 1 1 38 38 ALA CB C 13 22.677 0.250 . 1 . . . . . . . . 5850 1 377 . 1 1 38 38 ALA HA H 1 4.736 0.017 . 1 . . . . . . . . 5850 1 378 . 1 1 38 38 ALA HB1 H 1 1.029 0.011 . 1 . . . . . . . . 5850 1 379 . 1 1 38 38 ALA HB2 H 1 1.029 0.011 . 1 . . . . . . . . 5850 1 380 . 1 1 38 38 ALA HB3 H 1 1.029 0.011 . 1 . . . . . . . . 5850 1 381 . 1 1 38 38 ALA H H 1 8.505 0.013 . 1 . . . . . . . . 5850 1 382 . 1 1 38 38 ALA N N 15 118.708 0.102 . 1 . . . . . . . . 5850 1 383 . 1 1 39 39 ALA CA C 13 49.122 0.122 . 1 . . . . . . . . 5850 1 384 . 1 1 39 39 ALA CB C 13 22.967 0.141 . 1 . . . . . . . . 5850 1 385 . 1 1 39 39 ALA HA H 1 5.529 0.018 . 1 . . . . . . . . 5850 1 386 . 1 1 39 39 ALA HB1 H 1 1.525 0.010 . 1 . . . . . . . . 5850 1 387 . 1 1 39 39 ALA HB2 H 1 1.525 0.010 . 1 . . . . . . . . 5850 1 388 . 1 1 39 39 ALA HB3 H 1 1.525 0.010 . 1 . . . . . . . . 5850 1 389 . 1 1 39 39 ALA H H 1 9.011 0.014 . 1 . . . . . . . . 5850 1 390 . 1 1 39 39 ALA N N 15 119.693 0.063 . 1 . . . . . . . . 5850 1 391 . 1 1 40 40 THR CA C 13 63.796 0.184 . 1 . . . . . . . . 5850 1 392 . 1 1 40 40 THR CB C 13 67.666 0.188 . 1 . . . . . . . . 5850 1 393 . 1 1 40 40 THR CG2 C 13 24.225 0.033 . 2 . . . . . . . . 5850 1 394 . 1 1 40 40 THR HA H 1 4.428 0.019 . 1 . . . . . . . . 5850 1 395 . 1 1 40 40 THR HB H 1 4.340 0.007 . 1 . . . . . . . . 5850 1 396 . 1 1 40 40 THR HG21 H 1 1.191 0.008 . 1 . . . . . . . . 5850 1 397 . 1 1 40 40 THR HG22 H 1 1.191 0.008 . 1 . . . . . . . . 5850 1 398 . 1 1 40 40 THR HG23 H 1 1.191 0.008 . 1 . . . . . . . . 5850 1 399 . 1 1 40 40 THR H H 1 8.516 0.007 . 1 . . . . . . . . 5850 1 400 . 1 1 40 40 THR N N 15 108.727 0.060 . 1 . . . . . . . . 5850 1 401 . 1 1 41 41 SER CA C 13 57.375 0.094 . 1 . . . . . . . . 5850 1 402 . 1 1 41 41 SER CB C 13 65.091 0.088 . 1 . . . . . . . . 5850 1 403 . 1 1 41 41 SER HA H 1 4.747 0.013 . 1 . . . . . . . . 5850 1 404 . 1 1 41 41 SER HB2 H 1 3.875 0.016 . 2 . . . . . . . . 5850 1 405 . 1 1 41 41 SER HB3 H 1 3.989 0.014 . 2 . . . . . . . . 5850 1 406 . 1 1 41 41 SER H H 1 8.426 0.013 . 1 . . . . . . . . 5850 1 407 . 1 1 41 41 SER N N 15 118.229 0.096 . 1 . . . . . . . . 5850 1 408 . 1 1 42 42 GLY CA C 13 45.195 0.169 . 1 . . . . . . . . 5850 1 409 . 1 1 42 42 GLY HA2 H 1 3.621 0.011 . 2 . . . . . . . . 5850 1 410 . 1 1 42 42 GLY HA3 H 1 4.248 0.012 . 2 . . . . . . . . 5850 1 411 . 1 1 42 42 GLY H H 1 8.730 0.008 . 1 . . . . . . . . 5850 1 412 . 1 1 42 42 GLY N N 15 111.064 0.062 . 1 . . . . . . . . 5850 1 413 . 1 1 43 43 PHE CA C 13 60.270 0.113 . 1 . . . . . . . . 5850 1 414 . 1 1 43 43 PHE CB C 13 39.414 0.166 . 1 . . . . . . . . 5850 1 415 . 1 1 43 43 PHE CE2 C 13 131.461 0.035 . 2 . . . . . . . . 5850 1 416 . 1 1 43 43 PHE HA H 1 4.309 0.019 . 1 . . . . . . . . 5850 1 417 . 1 1 43 43 PHE HB2 H 1 2.852 0.014 . 2 . . . . . . . . 5850 1 418 . 1 1 43 43 PHE HD2 H 1 7.409 0.003 . 3 . . . . . . . . 5850 1 419 . 1 1 43 43 PHE HE2 H 1 7.032 0.020 . 3 . . . . . . . . 5850 1 420 . 1 1 43 43 PHE H H 1 7.768 0.035 . 1 . . . . . . . . 5850 1 421 . 1 1 43 43 PHE N N 15 118.460 0.078 . 1 . . . . . . . . 5850 1 422 . 1 1 44 44 HIS CA C 13 53.812 0.105 . 1 . . . . . . . . 5850 1 423 . 1 1 44 44 HIS CB C 13 28.968 0.136 . 1 . . . . . . . . 5850 1 424 . 1 1 44 44 HIS CD2 C 13 120.924 0.154 . 2 . . . . . . . . 5850 1 425 . 1 1 44 44 HIS CE1 C 13 137.324 0.216 . 2 . . . . . . . . 5850 1 426 . 1 1 44 44 HIS HA H 1 4.835 0.011 . 1 . . . . . . . . 5850 1 427 . 1 1 44 44 HIS HB2 H 1 2.881 0.008 . 2 . . . . . . . . 5850 1 428 . 1 1 44 44 HIS HB3 H 1 3.423 0.014 . 2 . . . . . . . . 5850 1 429 . 1 1 44 44 HIS HD2 H 1 7.167 0.014 . 2 . . . . . . . . 5850 1 430 . 1 1 44 44 HIS HE1 H 1 8.656 0.020 . 2 . . . . . . . . 5850 1 431 . 1 1 44 44 HIS H H 1 8.810 0.008 . 1 . . . . . . . . 5850 1 432 . 1 1 44 44 HIS N N 15 113.273 0.051 . 1 . . . . . . . . 5850 1 433 . 1 1 44 44 HIS NE2 N 15 177.474 0.000 . 2 . . . . . . . . 5850 1 434 . 1 1 45 45 VAL CA C 13 65.783 0.080 . 1 . . . . . . . . 5850 1 435 . 1 1 45 45 VAL CB C 13 31.818 0.167 . 1 . . . . . . . . 5850 1 436 . 1 1 45 45 VAL CG1 C 13 21.386 0.049 . 2 . . . . . . . . 5850 1 437 . 1 1 45 45 VAL CG2 C 13 23.113 0.500 . 2 . . . . . . . . 5850 1 438 . 1 1 45 45 VAL HA H 1 3.223 0.012 . 1 . . . . . . . . 5850 1 439 . 1 1 45 45 VAL HB H 1 2.044 0.009 . 1 . . . . . . . . 5850 1 440 . 1 1 45 45 VAL HG11 H 1 1.101 0.008 . 2 . . . . . . . . 5850 1 441 . 1 1 45 45 VAL HG12 H 1 1.101 0.008 . 2 . . . . . . . . 5850 1 442 . 1 1 45 45 VAL HG13 H 1 1.101 0.008 . 2 . . . . . . . . 5850 1 443 . 1 1 45 45 VAL HG21 H 1 1.112 0.010 . 2 . . . . . . . . 5850 1 444 . 1 1 45 45 VAL HG22 H 1 1.112 0.010 . 2 . . . . . . . . 5850 1 445 . 1 1 45 45 VAL HG23 H 1 1.112 0.010 . 2 . . . . . . . . 5850 1 446 . 1 1 45 45 VAL H H 1 6.820 0.009 . 1 . . . . . . . . 5850 1 447 . 1 1 45 45 VAL N N 15 117.662 0.063 . 1 . . . . . . . . 5850 1 448 . 1 1 46 46 GLY CA C 13 44.922 0.116 . 1 . . . . . . . . 5850 1 449 . 1 1 46 46 GLY HA2 H 1 3.728 0.015 . 2 . . . . . . . . 5850 1 450 . 1 1 46 46 GLY HA3 H 1 4.524 0.010 . 2 . . . . . . . . 5850 1 451 . 1 1 46 46 GLY H H 1 9.115 0.017 . 1 . . . . . . . . 5850 1 452 . 1 1 46 46 GLY N N 15 114.248 0.081 . 1 . . . . . . . . 5850 1 453 . 1 1 47 47 GLN CA C 13 56.184 0.227 . 1 . . . . . . . . 5850 1 454 . 1 1 47 47 GLN CB C 13 29.665 0.207 . 1 . . . . . . . . 5850 1 455 . 1 1 47 47 GLN CG C 13 34.462 0.074 . 1 . . . . . . . . 5850 1 456 . 1 1 47 47 GLN HA H 1 4.528 0.013 . 1 . . . . . . . . 5850 1 457 . 1 1 47 47 GLN HE21 H 1 7.318 0.008 . 2 . . . . . . . . 5850 1 458 . 1 1 47 47 GLN HE22 H 1 7.831 0.006 . 2 . . . . . . . . 5850 1 459 . 1 1 47 47 GLN HG2 H 1 2.631 0.060 . 2 . . . . . . . . 5850 1 460 . 1 1 47 47 GLN HG3 H 1 2.421 0.067 . 2 . . . . . . . . 5850 1 461 . 1 1 47 47 GLN H H 1 8.024 0.009 . 1 . . . . . . . . 5850 1 462 . 1 1 47 47 GLN N N 15 119.116 0.057 . 1 . . . . . . . . 5850 1 463 . 1 1 47 47 GLN NE2 N 15 112.583 0.302 . 2 . . . . . . . . 5850 1 464 . 1 1 48 48 SER CA C 13 57.686 0.045 . 1 . . . . . . . . 5850 1 465 . 1 1 48 48 SER CB C 13 62.026 0.107 . 1 . . . . . . . . 5850 1 466 . 1 1 48 48 SER HA H 1 5.127 0.014 . 1 . . . . . . . . 5850 1 467 . 1 1 48 48 SER HB2 H 1 3.834 0.030 . 2 . . . . . . . . 5850 1 468 . 1 1 48 48 SER HB3 H 1 3.996 0.042 . 2 . . . . . . . . 5850 1 469 . 1 1 48 48 SER H H 1 8.718 0.012 . 1 . . . . . . . . 5850 1 470 . 1 1 48 48 SER N N 15 119.292 0.078 . 1 . . . . . . . . 5850 1 471 . 1 1 49 49 PRO CA C 13 63.707 0.180 . 1 . . . . . . . . 5850 1 472 . 1 1 49 49 PRO CB C 13 32.107 0.084 . 1 . . . . . . . . 5850 1 473 . 1 1 49 49 PRO CD C 13 50.578 0.082 . 1 . . . . . . . . 5850 1 474 . 1 1 49 49 PRO CG C 13 27.367 0.145 . 1 . . . . . . . . 5850 1 475 . 1 1 49 49 PRO HA H 1 4.468 0.012 . 1 . . . . . . . . 5850 1 476 . 1 1 49 49 PRO HB2 H 1 2.035 0.007 . 2 . . . . . . . . 5850 1 477 . 1 1 49 49 PRO HB3 H 1 2.344 0.026 . 2 . . . . . . . . 5850 1 478 . 1 1 49 49 PRO HD2 H 1 3.834 0.000 . 2 . . . . . . . . 5850 1 479 . 1 1 49 49 PRO HD3 H 1 3.799 0.008 . 2 . . . . . . . . 5850 1 480 . 1 1 49 49 PRO HG2 H 1 2.130 0.054 . 2 . . . . . . . . 5850 1 481 . 1 1 49 49 PRO HG3 H 1 0.735 0.007 . 2 . . . . . . . . 5850 1 482 . 1 1 50 50 ASP CA C 13 54.678 0.129 . 1 . . . . . . . . 5850 1 483 . 1 1 50 50 ASP CB C 13 45.178 0.115 . 1 . . . . . . . . 5850 1 484 . 1 1 50 50 ASP HA H 1 4.509 0.014 . 1 . . . . . . . . 5850 1 485 . 1 1 50 50 ASP HB2 H 1 2.670 0.013 . 2 . . . . . . . . 5850 1 486 . 1 1 50 50 ASP H H 1 8.995 0.013 . 1 . . . . . . . . 5850 1 487 . 1 1 50 50 ASP N N 15 123.779 0.052 . 1 . . . . . . . . 5850 1 488 . 1 1 51 51 THR CA C 13 66.346 0.127 . 1 . . . . . . . . 5850 1 489 . 1 1 51 51 THR CB C 13 68.693 0.192 . 2 . . . . . . . . 5850 1 490 . 1 1 51 51 THR CG2 C 13 21.940 0.115 . 2 . . . . . . . . 5850 1 491 . 1 1 51 51 THR HA H 1 3.761 0.088 . 1 . . . . . . . . 5850 1 492 . 1 1 51 51 THR HB H 1 4.180 0.027 . 1 . . . . . . . . 5850 1 493 . 1 1 51 51 THR HG21 H 1 1.306 0.012 . 1 . . . . . . . . 5850 1 494 . 1 1 51 51 THR HG22 H 1 1.306 0.012 . 1 . . . . . . . . 5850 1 495 . 1 1 51 51 THR HG23 H 1 1.306 0.012 . 1 . . . . . . . . 5850 1 496 . 1 1 51 51 THR H H 1 9.155 0.008 . 1 . . . . . . . . 5850 1 497 . 1 1 51 51 THR N N 15 123.216 0.051 . 1 . . . . . . . . 5850 1 498 . 1 1 52 52 ARG CA C 13 59.111 0.075 . 1 . . . . . . . . 5850 1 499 . 1 1 52 52 ARG CB C 13 27.075 0.148 . 1 . . . . . . . . 5850 1 500 . 1 1 52 52 ARG CD C 13 43.260 0.087 . 1 . . . . . . . . 5850 1 501 . 1 1 52 52 ARG CG C 13 26.344 0.099 . 1 . . . . . . . . 5850 1 502 . 1 1 52 52 ARG HA H 1 3.751 0.016 . 1 . . . . . . . . 5850 1 503 . 1 1 52 52 ARG HB2 H 1 0.240 0.014 . 2 . . . . . . . . 5850 1 504 . 1 1 52 52 ARG HB3 H 1 0.657 0.011 . 2 . . . . . . . . 5850 1 505 . 1 1 52 52 ARG HD2 H 1 2.836 0.013 . 2 . . . . . . . . 5850 1 506 . 1 1 52 52 ARG HD3 H 1 3.138 0.010 . 2 . . . . . . . . 5850 1 507 . 1 1 52 52 ARG HE H 1 7.197 0.003 . 2 . . . . . . . . 5850 1 508 . 1 1 52 52 ARG HG2 H 1 1.466 0.019 . 2 . . . . . . . . 5850 1 509 . 1 1 52 52 ARG HG3 H 1 1.859 0.000 . 2 . . . . . . . . 5850 1 510 . 1 1 52 52 ARG HH12 H 1 6.723 0.000 . 2 . . . . . . . . 5850 1 511 . 1 1 52 52 ARG H H 1 9.193 0.009 . 1 . . . . . . . . 5850 1 512 . 1 1 52 52 ARG N N 15 122.227 0.088 . 1 . . . . . . . . 5850 1 513 . 1 1 52 52 ARG NE N 15 83.372 0.000 . 1 . . . . . . . . 5850 1 514 . 1 1 53 53 SER CA C 13 61.328 0.100 . 1 . . . . . . . . 5850 1 515 . 1 1 53 53 SER CB C 13 64.137 0.072 . 1 . . . . . . . . 5850 1 516 . 1 1 53 53 SER HA H 1 4.454 0.018 . 1 . . . . . . . . 5850 1 517 . 1 1 53 53 SER HB2 H 1 4.253 0.013 . 2 . . . . . . . . 5850 1 518 . 1 1 53 53 SER H H 1 7.333 0.010 . 1 . . . . . . . . 5850 1 519 . 1 1 53 53 SER N N 15 116.423 0.091 . 1 . . . . . . . . 5850 1 520 . 1 1 54 54 GLN CA C 13 60.847 0.116 . 1 . . . . . . . . 5850 1 521 . 1 1 54 54 GLN CB C 13 28.335 0.249 . 1 . . . . . . . . 5850 1 522 . 1 1 54 54 GLN CG C 13 35.162 0.042 . 1 . . . . . . . . 5850 1 523 . 1 1 54 54 GLN HA H 1 3.786 0.023 . 1 . . . . . . . . 5850 1 524 . 1 1 54 54 GLN HB2 H 1 2.042 0.012 . 2 . . . . . . . . 5850 1 525 . 1 1 54 54 GLN HB3 H 1 2.338 0.009 . 2 . . . . . . . . 5850 1 526 . 1 1 54 54 GLN HE21 H 1 7.339 0.031 . 2 . . . . . . . . 5850 1 527 . 1 1 54 54 GLN HE22 H 1 7.819 0.008 . 2 . . . . . . . . 5850 1 528 . 1 1 54 54 GLN HG2 H 1 1.767 0.003 . 2 . . . . . . . . 5850 1 529 . 1 1 54 54 GLN HG3 H 1 2.370 0.017 . 2 . . . . . . . . 5850 1 530 . 1 1 54 54 GLN H H 1 8.684 0.013 . 1 . . . . . . . . 5850 1 531 . 1 1 54 54 GLN N N 15 118.892 0.072 . 1 . . . . . . . . 5850 1 532 . 1 1 54 54 GLN NE2 N 15 112.913 0.002 . 1 . . . . . . . . 5850 1 533 . 1 1 55 55 LYS CA C 13 60.014 0.106 . 1 . . . . . . . . 5850 1 534 . 1 1 55 55 LYS CB C 13 32.692 0.114 . 1 . . . . . . . . 5850 1 535 . 1 1 55 55 LYS CD C 13 29.189 0.070 . 1 . . . . . . . . 5850 1 536 . 1 1 55 55 LYS CE C 13 42.093 0.069 . 1 . . . . . . . . 5850 1 537 . 1 1 55 55 LYS CG C 13 25.167 0.068 . 1 . . . . . . . . 5850 1 538 . 1 1 55 55 LYS HA H 1 4.065 0.011 . 1 . . . . . . . . 5850 1 539 . 1 1 55 55 LYS HB2 H 1 1.814 0.005 . 2 . . . . . . . . 5850 1 540 . 1 1 55 55 LYS HB3 H 1 1.869 0.018 . 2 . . . . . . . . 5850 1 541 . 1 1 55 55 LYS HD2 H 1 1.647 0.018 . 2 . . . . . . . . 5850 1 542 . 1 1 55 55 LYS HE2 H 1 2.936 0.009 . 2 . . . . . . . . 5850 1 543 . 1 1 55 55 LYS HG2 H 1 1.379 0.010 . 2 . . . . . . . . 5850 1 544 . 1 1 55 55 LYS HG3 H 1 1.502 0.060 . 2 . . . . . . . . 5850 1 545 . 1 1 55 55 LYS H H 1 8.386 0.015 . 1 . . . . . . . . 5850 1 546 . 1 1 55 55 LYS N N 15 118.875 0.093 . 1 . . . . . . . . 5850 1 547 . 1 1 56 56 VAL CA C 13 64.810 0.063 . 1 . . . . . . . . 5850 1 548 . 1 1 56 56 VAL CB C 13 31.068 0.120 . 1 . . . . . . . . 5850 1 549 . 1 1 56 56 VAL CG1 C 13 20.922 0.320 . 2 . . . . . . . . 5850 1 550 . 1 1 56 56 VAL CG2 C 13 22.385 0.042 . 2 . . . . . . . . 5850 1 551 . 1 1 56 56 VAL HA H 1 4.076 0.008 . 1 . . . . . . . . 5850 1 552 . 1 1 56 56 VAL HB H 1 2.209 0.016 . 1 . . . . . . . . 5850 1 553 . 1 1 56 56 VAL HG11 H 1 1.398 0.014 . 2 . . . . . . . . 5850 1 554 . 1 1 56 56 VAL HG12 H 1 1.398 0.014 . 2 . . . . . . . . 5850 1 555 . 1 1 56 56 VAL HG13 H 1 1.398 0.014 . 2 . . . . . . . . 5850 1 556 . 1 1 56 56 VAL HG21 H 1 1.037 0.013 . 2 . . . . . . . . 5850 1 557 . 1 1 56 56 VAL HG22 H 1 1.037 0.013 . 2 . . . . . . . . 5850 1 558 . 1 1 56 56 VAL HG23 H 1 1.037 0.013 . 2 . . . . . . . . 5850 1 559 . 1 1 56 56 VAL H H 1 7.515 0.022 . 1 . . . . . . . . 5850 1 560 . 1 1 56 56 VAL N N 15 117.931 0.083 . 1 . . . . . . . . 5850 1 561 . 1 1 57 57 CYS CA C 13 65.305 0.102 . 1 . . . . . . . . 5850 1 562 . 1 1 57 57 CYS CB C 13 26.041 0.117 . 1 . . . . . . . . 5850 1 563 . 1 1 57 57 CYS HA H 1 4.238 0.010 . 1 . . . . . . . . 5850 1 564 . 1 1 57 57 CYS HB2 H 1 3.146 0.017 . 2 . . . . . . . . 5850 1 565 . 1 1 57 57 CYS HB3 H 1 3.237 0.032 . 2 . . . . . . . . 5850 1 566 . 1 1 57 57 CYS H H 1 7.791 0.009 . 1 . . . . . . . . 5850 1 567 . 1 1 57 57 CYS N N 15 120.638 0.083 . 1 . . . . . . . . 5850 1 568 . 1 1 58 58 LYS CA C 13 59.567 0.136 . 1 . . . . . . . . 5850 1 569 . 1 1 58 58 LYS CB C 13 32.184 0.110 . 1 . . . . . . . . 5850 1 570 . 1 1 58 58 LYS CD C 13 28.830 0.037 . 1 . . . . . . . . 5850 1 571 . 1 1 58 58 LYS CE C 13 42.323 0.000 . 1 . . . . . . . . 5850 1 572 . 1 1 58 58 LYS CG C 13 24.802 0.093 . 1 . . . . . . . . 5850 1 573 . 1 1 58 58 LYS HA H 1 3.902 0.015 . 1 . . . . . . . . 5850 1 574 . 1 1 58 58 LYS HB2 H 1 2.015 0.013 . 2 . . . . . . . . 5850 1 575 . 1 1 58 58 LYS HD2 H 1 1.687 0.000 . 2 . . . . . . . . 5850 1 576 . 1 1 58 58 LYS HE2 H 1 3.104 0.087 . 2 . . . . . . . . 5850 1 577 . 1 1 58 58 LYS HG2 H 1 1.444 0.016 . 2 . . . . . . . . 5850 1 578 . 1 1 58 58 LYS HG3 H 1 1.497 0.015 . 2 . . . . . . . . 5850 1 579 . 1 1 58 58 LYS H H 1 8.789 0.007 . 1 . . . . . . . . 5850 1 580 . 1 1 58 58 LYS N N 15 124.069 0.069 . 1 . . . . . . . . 5850 1 581 . 1 1 59 59 SER CA C 13 61.483 0.151 . 1 . . . . . . . . 5850 1 582 . 1 1 59 59 SER CB C 13 63.108 0.173 . 1 . . . . . . . . 5850 1 583 . 1 1 59 59 SER HA H 1 4.254 0.013 . 1 . . . . . . . . 5850 1 584 . 1 1 59 59 SER HB2 H 1 3.916 0.033 . 2 . . . . . . . . 5850 1 585 . 1 1 59 59 SER H H 1 8.283 0.011 . 1 . . . . . . . . 5850 1 586 . 1 1 59 59 SER N N 15 116.454 0.065 . 1 . . . . . . . . 5850 1 587 . 1 1 60 60 ASN CA C 13 53.642 0.088 . 1 . . . . . . . . 5850 1 588 . 1 1 60 60 ASN CB C 13 42.558 0.086 . 1 . . . . . . . . 5850 1 589 . 1 1 60 60 ASN HA H 1 4.738 0.015 . 1 . . . . . . . . 5850 1 590 . 1 1 60 60 ASN HB2 H 1 1.927 0.007 . 2 . . . . . . . . 5850 1 591 . 1 1 60 60 ASN HB3 H 1 2.893 0.010 . 2 . . . . . . . . 5850 1 592 . 1 1 60 60 ASN HD21 H 1 6.631 0.004 . 2 . . . . . . . . 5850 1 593 . 1 1 60 60 ASN HD22 H 1 6.983 0.013 . 2 . . . . . . . . 5850 1 594 . 1 1 60 60 ASN H H 1 7.275 0.010 . 1 . . . . . . . . 5850 1 595 . 1 1 60 60 ASN N N 15 117.869 0.061 . 1 . . . . . . . . 5850 1 596 . 1 1 60 60 ASN ND2 N 15 117.090 0.090 . 1 . . . . . . . . 5850 1 597 . 1 1 61 61 GLY CA C 13 46.222 0.116 . 1 . . . . . . . . 5850 1 598 . 1 1 61 61 GLY HA2 H 1 3.862 0.017 . 2 . . . . . . . . 5850 1 599 . 1 1 61 61 GLY HA3 H 1 4.233 0.011 . 2 . . . . . . . . 5850 1 600 . 1 1 61 61 GLY H H 1 7.823 0.010 . 1 . . . . . . . . 5850 1 601 . 1 1 61 61 GLY N N 15 106.615 0.070 . 1 . . . . . . . . 5850 1 602 . 1 1 62 62 VAL CA C 13 61.661 0.085 . 1 . . . . . . . . 5850 1 603 . 1 1 62 62 VAL CB C 13 33.931 0.135 . 1 . . . . . . . . 5850 1 604 . 1 1 62 62 VAL CG1 C 13 21.097 0.038 . 2 . . . . . . . . 5850 1 605 . 1 1 62 62 VAL CG2 C 13 20.768 0.081 . 2 . . . . . . . . 5850 1 606 . 1 1 62 62 VAL HA H 1 4.145 0.018 . 1 . . . . . . . . 5850 1 607 . 1 1 62 62 VAL HB H 1 1.891 0.016 . 1 . . . . . . . . 5850 1 608 . 1 1 62 62 VAL HG11 H 1 0.951 0.009 . 2 . . . . . . . . 5850 1 609 . 1 1 62 62 VAL HG12 H 1 0.951 0.009 . 2 . . . . . . . . 5850 1 610 . 1 1 62 62 VAL HG13 H 1 0.951 0.009 . 2 . . . . . . . . 5850 1 611 . 1 1 62 62 VAL HG21 H 1 0.769 0.012 . 2 . . . . . . . . 5850 1 612 . 1 1 62 62 VAL HG22 H 1 0.769 0.012 . 2 . . . . . . . . 5850 1 613 . 1 1 62 62 VAL HG23 H 1 0.769 0.012 . 2 . . . . . . . . 5850 1 614 . 1 1 62 62 VAL H H 1 8.194 0.010 . 1 . . . . . . . . 5850 1 615 . 1 1 62 62 VAL N N 15 123.149 0.049 . 1 . . . . . . . . 5850 1 616 . 1 1 63 63 ASP CA C 13 52.455 0.215 . 1 . . . . . . . . 5850 1 617 . 1 1 63 63 ASP CB C 13 41.763 0.108 . 1 . . . . . . . . 5850 1 618 . 1 1 63 63 ASP HA H 1 4.983 0.025 . 1 . . . . . . . . 5850 1 619 . 1 1 63 63 ASP HB2 H 1 2.483 0.008 . 2 . . . . . . . . 5850 1 620 . 1 1 63 63 ASP HB3 H 1 3.047 0.007 . 2 . . . . . . . . 5850 1 621 . 1 1 63 63 ASP H H 1 8.921 0.007 . 1 . . . . . . . . 5850 1 622 . 1 1 63 63 ASP N N 15 126.789 0.045 . 1 . . . . . . . . 5850 1 623 . 1 1 64 64 ILE CA C 13 61.103 0.095 . 1 . . . . . . . . 5850 1 624 . 1 1 64 64 ILE CB C 13 38.104 0.119 . 1 . . . . . . . . 5850 1 625 . 1 1 64 64 ILE CD1 C 13 14.551 0.082 . 1 . . . . . . . . 5850 1 626 . 1 1 64 64 ILE CG2 C 13 18.325 0.039 . 1 . . . . . . . . 5850 1 627 . 1 1 64 64 ILE HA H 1 4.731 0.009 . 1 . . . . . . . . 5850 1 628 . 1 1 64 64 ILE HB H 1 2.163 0.016 . 1 . . . . . . . . 5850 1 629 . 1 1 64 64 ILE HD11 H 1 0.649 0.012 . 1 . . . . . . . . 5850 1 630 . 1 1 64 64 ILE HD12 H 1 0.649 0.012 . 1 . . . . . . . . 5850 1 631 . 1 1 64 64 ILE HD13 H 1 0.649 0.012 . 1 . . . . . . . . 5850 1 632 . 1 1 64 64 ILE HG12 H 1 1.233 0.011 . 2 . . . . . . . . 5850 1 633 . 1 1 64 64 ILE HG13 H 1 1.019 0.020 . 2 . . . . . . . . 5850 1 634 . 1 1 64 64 ILE HG21 H 1 0.817 0.009 . 1 . . . . . . . . 5850 1 635 . 1 1 64 64 ILE HG22 H 1 0.817 0.009 . 1 . . . . . . . . 5850 1 636 . 1 1 64 64 ILE HG23 H 1 0.817 0.009 . 1 . . . . . . . . 5850 1 637 . 1 1 64 64 ILE H H 1 8.706 0.009 . 1 . . . . . . . . 5850 1 638 . 1 1 64 64 ILE N N 15 120.590 0.070 . 1 . . . . . . . . 5850 1 639 . 1 1 65 65 SER CA C 13 61.622 0.583 . 1 . . . . . . . . 5850 1 640 . 1 1 65 65 SER CB C 13 63.650 0.166 . 1 . . . . . . . . 5850 1 641 . 1 1 65 65 SER HA H 1 4.556 0.035 . 1 . . . . . . . . 5850 1 642 . 1 1 65 65 SER HB2 H 1 3.971 0.030 . 2 . . . . . . . . 5850 1 643 . 1 1 65 65 SER H H 1 8.431 0.019 . 1 . . . . . . . . 5850 1 644 . 1 1 65 65 SER N N 15 116.733 0.100 . 1 . . . . . . . . 5850 1 645 . 1 1 66 66 LYS CA C 13 56.542 0.089 . 1 . . . . . . . . 5850 1 646 . 1 1 66 66 LYS CB C 13 31.977 0.138 . 1 . . . . . . . . 5850 1 647 . 1 1 66 66 LYS CD C 13 28.844 0.101 . 1 . . . . . . . . 5850 1 648 . 1 1 66 66 LYS CG C 13 25.237 0.037 . 1 . . . . . . . . 5850 1 649 . 1 1 66 66 LYS HA H 1 4.419 0.025 . 1 . . . . . . . . 5850 1 650 . 1 1 66 66 LYS HB2 H 1 2.008 0.012 . 2 . . . . . . . . 5850 1 651 . 1 1 66 66 LYS HB3 H 1 1.710 0.003 . 2 . . . . . . . . 5850 1 652 . 1 1 66 66 LYS HD2 H 1 1.689 0.016 . 2 . . . . . . . . 5850 1 653 . 1 1 66 66 LYS HG2 H 1 1.476 0.000 . 2 . . . . . . . . 5850 1 654 . 1 1 66 66 LYS HG3 H 1 1.456 0.021 . 2 . . . . . . . . 5850 1 655 . 1 1 66 66 LYS H H 1 8.484 0.013 . 1 . . . . . . . . 5850 1 656 . 1 1 66 66 LYS N N 15 120.675 0.163 . 1 . . . . . . . . 5850 1 657 . 1 1 67 67 GLN CA C 13 56.516 0.095 . 1 . . . . . . . . 5850 1 658 . 1 1 67 67 GLN CB C 13 29.511 0.302 . 1 . . . . . . . . 5850 1 659 . 1 1 67 67 GLN CG C 13 35.054 0.060 . 1 . . . . . . . . 5850 1 660 . 1 1 67 67 GLN HA H 1 4.256 0.018 . 1 . . . . . . . . 5850 1 661 . 1 1 67 67 GLN HB2 H 1 2.118 0.033 . 2 . . . . . . . . 5850 1 662 . 1 1 67 67 GLN HE21 H 1 6.436 0.018 . 2 . . . . . . . . 5850 1 663 . 1 1 67 67 GLN HE22 H 1 7.434 0.007 . 2 . . . . . . . . 5850 1 664 . 1 1 67 67 GLN HG2 H 1 2.426 0.018 . 2 . . . . . . . . 5850 1 665 . 1 1 67 67 GLN HG3 H 1 2.202 0.029 . 2 . . . . . . . . 5850 1 666 . 1 1 67 67 GLN H H 1 7.278 0.008 . 1 . . . . . . . . 5850 1 667 . 1 1 67 67 GLN N N 15 120.250 0.058 . 1 . . . . . . . . 5850 1 668 . 1 1 67 67 GLN NE2 N 15 106.667 0.073 . 2 . . . . . . . . 5850 1 669 . 1 1 68 68 ARG CA C 13 53.781 0.114 . 1 . . . . . . . . 5850 1 670 . 1 1 68 68 ARG CB C 13 34.430 0.110 . 1 . . . . . . . . 5850 1 671 . 1 1 68 68 ARG CG C 13 26.890 0.000 . 1 . . . . . . . . 5850 1 672 . 1 1 68 68 ARG HA H 1 4.729 0.023 . 1 . . . . . . . . 5850 1 673 . 1 1 68 68 ARG HB2 H 1 1.395 0.002 . 2 . . . . . . . . 5850 1 674 . 1 1 68 68 ARG HB3 H 1 1.749 0.009 . 2 . . . . . . . . 5850 1 675 . 1 1 68 68 ARG HD2 H 1 3.183 0.000 . 2 . . . . . . . . 5850 1 676 . 1 1 68 68 ARG HE H 1 7.191 0.000 . 2 . . . . . . . . 5850 1 677 . 1 1 68 68 ARG H H 1 8.530 0.011 . 1 . . . . . . . . 5850 1 678 . 1 1 68 68 ARG N N 15 119.811 0.092 . 1 . . . . . . . . 5850 1 679 . 1 1 68 68 ARG NE N 15 120.250 0.000 . 1 . . . . . . . . 5850 1 680 . 1 1 69 69 ALA CA C 13 51.720 0.135 . 1 . . . . . . . . 5850 1 681 . 1 1 69 69 ALA CB C 13 19.917 0.156 . 1 . . . . . . . . 5850 1 682 . 1 1 69 69 ALA HA H 1 5.071 0.015 . 1 . . . . . . . . 5850 1 683 . 1 1 69 69 ALA HB1 H 1 1.429 0.010 . 1 . . . . . . . . 5850 1 684 . 1 1 69 69 ALA HB2 H 1 1.429 0.010 . 1 . . . . . . . . 5850 1 685 . 1 1 69 69 ALA HB3 H 1 1.429 0.010 . 1 . . . . . . . . 5850 1 686 . 1 1 69 69 ALA H H 1 8.650 0.011 . 1 . . . . . . . . 5850 1 687 . 1 1 69 69 ALA N N 15 124.881 0.048 . 1 . . . . . . . . 5850 1 688 . 1 1 70 70 ARG CA C 13 54.402 0.152 . 1 . . . . . . . . 5850 1 689 . 1 1 70 70 ARG CB C 13 33.847 0.099 . 1 . . . . . . . . 5850 1 690 . 1 1 70 70 ARG CD C 13 43.909 0.266 . 1 . . . . . . . . 5850 1 691 . 1 1 70 70 ARG CG C 13 25.781 0.036 . 1 . . . . . . . . 5850 1 692 . 1 1 70 70 ARG HA H 1 4.957 0.012 . 1 . . . . . . . . 5850 1 693 . 1 1 70 70 ARG HB2 H 1 1.931 0.009 . 2 . . . . . . . . 5850 1 694 . 1 1 70 70 ARG HD2 H 1 3.360 0.007 . 2 . . . . . . . . 5850 1 695 . 1 1 70 70 ARG HD3 H 1 3.168 0.012 . 2 . . . . . . . . 5850 1 696 . 1 1 70 70 ARG HE H 1 7.398 0.008 . 2 . . . . . . . . 5850 1 697 . 1 1 70 70 ARG HG2 H 1 1.345 0.023 . 2 . . . . . . . . 5850 1 698 . 1 1 70 70 ARG HG3 H 1 2.022 0.020 . 2 . . . . . . . . 5850 1 699 . 1 1 70 70 ARG HH12 H 1 7.007 0.010 . 2 . . . . . . . . 5850 1 700 . 1 1 70 70 ARG HH22 H 1 7.200 0.011 . 2 . . . . . . . . 5850 1 701 . 1 1 70 70 ARG H H 1 9.104 0.018 . 1 . . . . . . . . 5850 1 702 . 1 1 70 70 ARG N N 15 121.749 0.170 . 1 . . . . . . . . 5850 1 703 . 1 1 70 70 ARG NE N 15 119.733 0.000 . 1 . . . . . . . . 5850 1 704 . 1 1 71 71 GLN CA C 13 54.715 0.131 . 1 . . . . . . . . 5850 1 705 . 1 1 71 71 GLN CB C 13 30.871 0.166 . 1 . . . . . . . . 5850 1 706 . 1 1 71 71 GLN CG C 13 33.904 0.057 . 1 . . . . . . . . 5850 1 707 . 1 1 71 71 GLN HA H 1 4.933 0.017 . 1 . . . . . . . . 5850 1 708 . 1 1 71 71 GLN HB2 H 1 1.682 0.012 . 2 . . . . . . . . 5850 1 709 . 1 1 71 71 GLN HB3 H 1 2.065 0.010 . 2 . . . . . . . . 5850 1 710 . 1 1 71 71 GLN HE21 H 1 7.163 0.016 . 2 . . . . . . . . 5850 1 711 . 1 1 71 71 GLN HE22 H 1 6.850 0.008 . 2 . . . . . . . . 5850 1 712 . 1 1 71 71 GLN HG2 H 1 2.164 0.006 . 2 . . . . . . . . 5850 1 713 . 1 1 71 71 GLN HG3 H 1 2.935 0.009 . 2 . . . . . . . . 5850 1 714 . 1 1 71 71 GLN H H 1 9.005 0.027 . 1 . . . . . . . . 5850 1 715 . 1 1 71 71 GLN N N 15 122.796 0.078 . 1 . . . . . . . . 5850 1 716 . 1 1 71 71 GLN NE2 N 15 110.335 0.089 . 1 . . . . . . . . 5850 1 717 . 1 1 72 72 ILE CA C 13 61.922 0.124 . 1 . . . . . . . . 5850 1 718 . 1 1 72 72 ILE CB C 13 39.480 0.134 . 1 . . . . . . . . 5850 1 719 . 1 1 72 72 ILE CD1 C 13 14.800 0.071 . 1 . . . . . . . . 5850 1 720 . 1 1 72 72 ILE CG1 C 13 28.863 0.106 . 2 . . . . . . . . 5850 1 721 . 1 1 72 72 ILE CG2 C 13 16.526 0.188 . 2 . . . . . . . . 5850 1 722 . 1 1 72 72 ILE HA H 1 4.151 0.012 . 1 . . . . . . . . 5850 1 723 . 1 1 72 72 ILE HB H 1 1.366 0.012 . 1 . . . . . . . . 5850 1 724 . 1 1 72 72 ILE HD11 H 1 0.564 0.016 . 1 . . . . . . . . 5850 1 725 . 1 1 72 72 ILE HD12 H 1 0.564 0.016 . 1 . . . . . . . . 5850 1 726 . 1 1 72 72 ILE HD13 H 1 0.564 0.016 . 1 . . . . . . . . 5850 1 727 . 1 1 72 72 ILE HG12 H 1 1.345 0.011 . 2 . . . . . . . . 5850 1 728 . 1 1 72 72 ILE HG13 H 1 1.628 0.010 . 2 . . . . . . . . 5850 1 729 . 1 1 72 72 ILE HG21 H 1 0.911 0.009 . 1 . . . . . . . . 5850 1 730 . 1 1 72 72 ILE HG22 H 1 0.911 0.009 . 1 . . . . . . . . 5850 1 731 . 1 1 72 72 ILE HG23 H 1 0.911 0.009 . 1 . . . . . . . . 5850 1 732 . 1 1 72 72 ILE H H 1 9.124 0.009 . 1 . . . . . . . . 5850 1 733 . 1 1 72 72 ILE N N 15 127.588 0.089 . 1 . . . . . . . . 5850 1 734 . 1 1 73 73 THR CA C 13 59.634 0.068 . 1 . . . . . . . . 5850 1 735 . 1 1 73 73 THR CB C 13 73.063 0.110 . 1 . . . . . . . . 5850 1 736 . 1 1 73 73 THR CG2 C 13 21.626 0.038 . 2 . . . . . . . . 5850 1 737 . 1 1 73 73 THR HA H 1 4.891 0.012 . 1 . . . . . . . . 5850 1 738 . 1 1 73 73 THR HB H 1 4.544 0.009 . 1 . . . . . . . . 5850 1 739 . 1 1 73 73 THR HG21 H 1 1.272 0.009 . 1 . . . . . . . . 5850 1 740 . 1 1 73 73 THR HG22 H 1 1.272 0.009 . 1 . . . . . . . . 5850 1 741 . 1 1 73 73 THR HG23 H 1 1.272 0.009 . 1 . . . . . . . . 5850 1 742 . 1 1 73 73 THR H H 1 9.338 0.008 . 1 . . . . . . . . 5850 1 743 . 1 1 73 73 THR N N 15 118.386 0.065 . 1 . . . . . . . . 5850 1 744 . 1 1 74 74 LYS CA C 13 59.875 0.122 . 1 . . . . . . . . 5850 1 745 . 1 1 74 74 LYS CB C 13 32.409 0.154 . 1 . . . . . . . . 5850 1 746 . 1 1 74 74 LYS CD C 13 29.306 0.064 . 1 . . . . . . . . 5850 1 747 . 1 1 74 74 LYS CE C 13 42.344 0.195 . 1 . . . . . . . . 5850 1 748 . 1 1 74 74 LYS CG C 13 25.729 0.134 . 1 . . . . . . . . 5850 1 749 . 1 1 74 74 LYS HA H 1 4.333 0.013 . 1 . . . . . . . . 5850 1 750 . 1 1 74 74 LYS HB2 H 1 2.005 0.036 . 2 . . . . . . . . 5850 1 751 . 1 1 74 74 LYS HD2 H 1 1.778 0.028 . 2 . . . . . . . . 5850 1 752 . 1 1 74 74 LYS HE2 H 1 3.061 0.009 . 2 . . . . . . . . 5850 1 753 . 1 1 74 74 LYS HG2 H 1 1.555 0.000 . 2 . . . . . . . . 5850 1 754 . 1 1 74 74 LYS HG3 H 1 1.684 0.015 . 2 . . . . . . . . 5850 1 755 . 1 1 74 74 LYS H H 1 8.784 0.011 . 1 . . . . . . . . 5850 1 756 . 1 1 74 74 LYS N N 15 120.568 0.053 . 1 . . . . . . . . 5850 1 757 . 1 1 75 75 ALA CA C 13 54.674 0.137 . 1 . . . . . . . . 5850 1 758 . 1 1 75 75 ALA CB C 13 18.482 0.138 . 1 . . . . . . . . 5850 1 759 . 1 1 75 75 ALA HA H 1 4.269 0.014 . 1 . . . . . . . . 5850 1 760 . 1 1 75 75 ALA HB1 H 1 1.476 0.010 . 1 . . . . . . . . 5850 1 761 . 1 1 75 75 ALA HB2 H 1 1.476 0.010 . 1 . . . . . . . . 5850 1 762 . 1 1 75 75 ALA HB3 H 1 1.476 0.010 . 1 . . . . . . . . 5850 1 763 . 1 1 75 75 ALA H H 1 8.334 0.008 . 1 . . . . . . . . 5850 1 764 . 1 1 75 75 ALA N N 15 121.610 0.057 . 1 . . . . . . . . 5850 1 765 . 1 1 76 76 ASP CA C 13 59.199 0.108 . 1 . . . . . . . . 5850 1 766 . 1 1 76 76 ASP CB C 13 40.461 0.098 . 1 . . . . . . . . 5850 1 767 . 1 1 76 76 ASP HA H 1 4.657 0.015 . 1 . . . . . . . . 5850 1 768 . 1 1 76 76 ASP HB2 H 1 2.180 0.012 . 2 . . . . . . . . 5850 1 769 . 1 1 76 76 ASP HB3 H 1 2.745 0.008 . 2 . . . . . . . . 5850 1 770 . 1 1 76 76 ASP H H 1 8.014 0.008 . 1 . . . . . . . . 5850 1 771 . 1 1 76 76 ASP N N 15 118.934 0.089 . 1 . . . . . . . . 5850 1 772 . 1 1 77 77 PHE CA C 13 60.980 0.071 . 1 . . . . . . . . 5850 1 773 . 1 1 77 77 PHE CB C 13 37.733 0.126 . 1 . . . . . . . . 5850 1 774 . 1 1 77 77 PHE CD2 C 13 132.862 0.165 . 2 . . . . . . . . 5850 1 775 . 1 1 77 77 PHE CE2 C 13 131.126 0.162 . 2 . . . . . . . . 5850 1 776 . 1 1 77 77 PHE HA H 1 4.225 0.009 . 1 . . . . . . . . 5850 1 777 . 1 1 77 77 PHE HB2 H 1 3.114 0.013 . 2 . . . . . . . . 5850 1 778 . 1 1 77 77 PHE HB3 H 1 3.705 0.007 . 2 . . . . . . . . 5850 1 779 . 1 1 77 77 PHE HD2 H 1 7.658 0.018 . 3 . . . . . . . . 5850 1 780 . 1 1 77 77 PHE HE2 H 1 7.107 0.015 . 3 . . . . . . . . 5850 1 781 . 1 1 77 77 PHE H H 1 7.555 0.011 . 1 . . . . . . . . 5850 1 782 . 1 1 77 77 PHE N N 15 114.335 0.066 . 1 . . . . . . . . 5850 1 783 . 1 1 78 78 SER CA C 13 59.037 0.140 . 1 . . . . . . . . 5850 1 784 . 1 1 78 78 SER CB C 13 64.726 0.105 . 1 . . . . . . . . 5850 1 785 . 1 1 78 78 SER HA H 1 5.004 0.016 . 1 . . . . . . . . 5850 1 786 . 1 1 78 78 SER HB2 H 1 4.072 0.016 . 2 . . . . . . . . 5850 1 787 . 1 1 78 78 SER H H 1 7.807 0.014 . 1 . . . . . . . . 5850 1 788 . 1 1 78 78 SER N N 15 111.181 0.050 . 1 . . . . . . . . 5850 1 789 . 1 1 79 79 LYS CA C 13 57.234 0.186 . 1 . . . . . . . . 5850 1 790 . 1 1 79 79 LYS CB C 13 35.216 0.083 . 1 . . . . . . . . 5850 1 791 . 1 1 79 79 LYS CD C 13 29.175 0.051 . 1 . . . . . . . . 5850 1 792 . 1 1 79 79 LYS CE C 13 41.885 0.026 . 1 . . . . . . . . 5850 1 793 . 1 1 79 79 LYS CG C 13 24.687 0.138 . 1 . . . . . . . . 5850 1 794 . 1 1 79 79 LYS HA H 1 4.176 0.011 . 1 . . . . . . . . 5850 1 795 . 1 1 79 79 LYS HB2 H 1 1.551 0.012 . 2 . . . . . . . . 5850 1 796 . 1 1 79 79 LYS HB3 H 1 1.480 0.017 . 2 . . . . . . . . 5850 1 797 . 1 1 79 79 LYS HD2 H 1 1.493 0.014 . 2 . . . . . . . . 5850 1 798 . 1 1 79 79 LYS HE2 H 1 2.749 0.007 . 2 . . . . . . . . 5850 1 799 . 1 1 79 79 LYS HG2 H 1 1.282 0.013 . 2 . . . . . . . . 5850 1 800 . 1 1 79 79 LYS HG3 H 1 0.895 0.010 . 2 . . . . . . . . 5850 1 801 . 1 1 79 79 LYS H H 1 7.415 0.008 . 1 . . . . . . . . 5850 1 802 . 1 1 79 79 LYS N N 15 121.094 0.049 . 1 . . . . . . . . 5850 1 803 . 1 1 80 80 PHE CA C 13 57.465 0.127 . 1 . . . . . . . . 5850 1 804 . 1 1 80 80 PHE CB C 13 41.322 0.133 . 1 . . . . . . . . 5850 1 805 . 1 1 80 80 PHE CD2 C 13 133.667 0.067 . 2 . . . . . . . . 5850 1 806 . 1 1 80 80 PHE HA H 1 4.357 0.012 . 1 . . . . . . . . 5850 1 807 . 1 1 80 80 PHE HB2 H 1 2.353 0.011 . 2 . . . . . . . . 5850 1 808 . 1 1 80 80 PHE HB3 H 1 2.720 0.013 . 2 . . . . . . . . 5850 1 809 . 1 1 80 80 PHE HD2 H 1 7.241 0.015 . 3 . . . . . . . . 5850 1 810 . 1 1 80 80 PHE HE2 H 1 7.425 0.023 . 3 . . . . . . . . 5850 1 811 . 1 1 80 80 PHE H H 1 6.974 0.015 . 1 . . . . . . . . 5850 1 812 . 1 1 80 80 PHE N N 15 113.963 0.067 . 1 . . . . . . . . 5850 1 813 . 1 1 81 81 ASP CA C 13 57.492 0.166 . 1 . . . . . . . . 5850 1 814 . 1 1 81 81 ASP CB C 13 42.830 0.108 . 1 . . . . . . . . 5850 1 815 . 1 1 81 81 ASP HA H 1 4.612 0.014 . 1 . . . . . . . . 5850 1 816 . 1 1 81 81 ASP HB2 H 1 2.762 0.019 . 2 . . . . . . . . 5850 1 817 . 1 1 81 81 ASP HB3 H 1 2.915 0.055 . 2 . . . . . . . . 5850 1 818 . 1 1 81 81 ASP H H 1 8.538 0.010 . 1 . . . . . . . . 5850 1 819 . 1 1 81 81 ASP N N 15 117.233 0.049 . 1 . . . . . . . . 5850 1 820 . 1 1 82 82 VAL CA C 13 60.909 0.186 . 1 . . . . . . . . 5850 1 821 . 1 1 82 82 VAL CB C 13 36.656 0.114 . 1 . . . . . . . . 5850 1 822 . 1 1 82 82 VAL CG1 C 13 22.553 0.273 . 2 . . . . . . . . 5850 1 823 . 1 1 82 82 VAL CG2 C 13 22.028 0.018 . 2 . . . . . . . . 5850 1 824 . 1 1 82 82 VAL HA H 1 4.867 0.010 . 1 . . . . . . . . 5850 1 825 . 1 1 82 82 VAL HB H 1 1.765 0.010 . 1 . . . . . . . . 5850 1 826 . 1 1 82 82 VAL HG11 H 1 0.938 0.015 . 2 . . . . . . . . 5850 1 827 . 1 1 82 82 VAL HG12 H 1 0.938 0.015 . 2 . . . . . . . . 5850 1 828 . 1 1 82 82 VAL HG13 H 1 0.938 0.015 . 2 . . . . . . . . 5850 1 829 . 1 1 82 82 VAL HG21 H 1 0.691 0.011 . 2 . . . . . . . . 5850 1 830 . 1 1 82 82 VAL HG22 H 1 0.691 0.011 . 2 . . . . . . . . 5850 1 831 . 1 1 82 82 VAL HG23 H 1 0.691 0.011 . 2 . . . . . . . . 5850 1 832 . 1 1 82 82 VAL H H 1 7.860 0.016 . 1 . . . . . . . . 5850 1 833 . 1 1 82 82 VAL N N 15 118.630 0.095 . 1 . . . . . . . . 5850 1 834 . 1 1 83 83 ILE CA C 13 60.603 0.148 . 1 . . . . . . . . 5850 1 835 . 1 1 83 83 ILE CB C 13 39.672 0.175 . 1 . . . . . . . . 5850 1 836 . 1 1 83 83 ILE CD1 C 13 13.421 0.195 . 1 . . . . . . . . 5850 1 837 . 1 1 83 83 ILE CG1 C 13 27.401 0.058 . 1 . . . . . . . . 5850 1 838 . 1 1 83 83 ILE CG2 C 13 17.567 0.082 . 1 . . . . . . . . 5850 1 839 . 1 1 83 83 ILE HA H 1 4.503 0.010 . 1 . . . . . . . . 5850 1 840 . 1 1 83 83 ILE HB H 1 1.477 0.015 . 1 . . . . . . . . 5850 1 841 . 1 1 83 83 ILE HD11 H 1 0.072 0.014 . 1 . . . . . . . . 5850 1 842 . 1 1 83 83 ILE HD12 H 1 0.072 0.014 . 1 . . . . . . . . 5850 1 843 . 1 1 83 83 ILE HD13 H 1 0.072 0.014 . 1 . . . . . . . . 5850 1 844 . 1 1 83 83 ILE HG12 H 1 0.560 0.024 . 2 . . . . . . . . 5850 1 845 . 1 1 83 83 ILE HG13 H 1 1.297 0.006 . 2 . . . . . . . . 5850 1 846 . 1 1 83 83 ILE HG21 H 1 0.526 0.013 . 1 . . . . . . . . 5850 1 847 . 1 1 83 83 ILE HG22 H 1 0.526 0.013 . 1 . . . . . . . . 5850 1 848 . 1 1 83 83 ILE HG23 H 1 0.526 0.013 . 1 . . . . . . . . 5850 1 849 . 1 1 83 83 ILE H H 1 9.083 0.010 . 1 . . . . . . . . 5850 1 850 . 1 1 83 83 ILE N N 15 127.884 0.042 . 1 . . . . . . . . 5850 1 851 . 1 1 84 84 ALA CA C 13 48.969 0.147 . 1 . . . . . . . . 5850 1 852 . 1 1 84 84 ALA CB C 13 21.983 0.216 . 1 . . . . . . . . 5850 1 853 . 1 1 84 84 ALA HA H 1 5.024 0.021 . 1 . . . . . . . . 5850 1 854 . 1 1 84 84 ALA HB1 H 1 0.978 0.027 . 1 . . . . . . . . 5850 1 855 . 1 1 84 84 ALA HB2 H 1 0.978 0.027 . 1 . . . . . . . . 5850 1 856 . 1 1 84 84 ALA HB3 H 1 0.978 0.027 . 1 . . . . . . . . 5850 1 857 . 1 1 84 84 ALA H H 1 9.216 0.015 . 1 . . . . . . . . 5850 1 858 . 1 1 84 84 ALA N N 15 130.113 0.059 . 1 . . . . . . . . 5850 1 859 . 1 1 85 85 ALA CA C 13 50.989 0.110 . 1 . . . . . . . . 5850 1 860 . 1 1 85 85 ALA CB C 13 21.640 0.139 . 1 . . . . . . . . 5850 1 861 . 1 1 85 85 ALA HA H 1 4.550 0.017 . 1 . . . . . . . . 5850 1 862 . 1 1 85 85 ALA HB1 H 1 1.433 0.010 . 1 . . . . . . . . 5850 1 863 . 1 1 85 85 ALA HB2 H 1 1.433 0.010 . 1 . . . . . . . . 5850 1 864 . 1 1 85 85 ALA HB3 H 1 1.433 0.010 . 1 . . . . . . . . 5850 1 865 . 1 1 85 85 ALA H H 1 9.283 0.014 . 1 . . . . . . . . 5850 1 866 . 1 1 85 85 ALA N N 15 125.546 0.049 . 1 . . . . . . . . 5850 1 867 . 1 1 86 86 LEU CA C 13 54.075 0.101 . 1 . . . . . . . . 5850 1 868 . 1 1 86 86 LEU CB C 13 41.103 0.152 . 1 . . . . . . . . 5850 1 869 . 1 1 86 86 LEU CD1 C 13 21.432 0.069 . 2 . . . . . . . . 5850 1 870 . 1 1 86 86 LEU CD2 C 13 25.117 0.065 . 2 . . . . . . . . 5850 1 871 . 1 1 86 86 LEU CG C 13 29.192 0.157 . 1 . . . . . . . . 5850 1 872 . 1 1 86 86 LEU HA H 1 4.435 0.013 . 1 . . . . . . . . 5850 1 873 . 1 1 86 86 LEU HB2 H 1 1.961 0.006 . 2 . . . . . . . . 5850 1 874 . 1 1 86 86 LEU HB3 H 1 1.863 0.021 . 2 . . . . . . . . 5850 1 875 . 1 1 86 86 LEU HD11 H 1 0.710 0.014 . 2 . . . . . . . . 5850 1 876 . 1 1 86 86 LEU HD12 H 1 0.710 0.014 . 2 . . . . . . . . 5850 1 877 . 1 1 86 86 LEU HD13 H 1 0.710 0.014 . 2 . . . . . . . . 5850 1 878 . 1 1 86 86 LEU HD21 H 1 0.684 0.012 . 2 . . . . . . . . 5850 1 879 . 1 1 86 86 LEU HD22 H 1 0.684 0.012 . 2 . . . . . . . . 5850 1 880 . 1 1 86 86 LEU HD23 H 1 0.684 0.012 . 2 . . . . . . . . 5850 1 881 . 1 1 86 86 LEU HG H 1 1.681 0.013 . 1 . . . . . . . . 5850 1 882 . 1 1 86 86 LEU H H 1 7.522 0.016 . 1 . . . . . . . . 5850 1 883 . 1 1 86 86 LEU N N 15 120.340 0.065 . 1 . . . . . . . . 5850 1 884 . 1 1 87 87 ASP CA C 13 55.261 0.123 . 1 . . . . . . . . 5850 1 885 . 1 1 87 87 ASP CB C 13 41.520 0.242 . 1 . . . . . . . . 5850 1 886 . 1 1 87 87 ASP HA H 1 4.417 0.018 . 1 . . . . . . . . 5850 1 887 . 1 1 87 87 ASP HB2 H 1 3.382 0.006 . 2 . . . . . . . . 5850 1 888 . 1 1 87 87 ASP H H 1 7.422 0.013 . 1 . . . . . . . . 5850 1 889 . 1 1 87 87 ASP N N 15 110.700 0.061 . 1 . . . . . . . . 5850 1 890 . 1 1 88 88 GLN CA C 13 59.980 0.109 . 1 . . . . . . . . 5850 1 891 . 1 1 88 88 GLN CB C 13 28.969 0.122 . 1 . . . . . . . . 5850 1 892 . 1 1 88 88 GLN CG C 13 34.430 0.074 . 1 . . . . . . . . 5850 1 893 . 1 1 88 88 GLN HA H 1 3.993 0.010 . 1 . . . . . . . . 5850 1 894 . 1 1 88 88 GLN HB2 H 1 2.138 0.010 . 2 . . . . . . . . 5850 1 895 . 1 1 88 88 GLN HB3 H 1 2.300 0.015 . 2 . . . . . . . . 5850 1 896 . 1 1 88 88 GLN HE21 H 1 7.540 0.030 . 2 . . . . . . . . 5850 1 897 . 1 1 88 88 GLN HE22 H 1 6.835 0.009 . 2 . . . . . . . . 5850 1 898 . 1 1 88 88 GLN HG2 H 1 2.425 0.012 . 2 . . . . . . . . 5850 1 899 . 1 1 88 88 GLN HG3 H 1 2.664 0.007 . 2 . . . . . . . . 5850 1 900 . 1 1 88 88 GLN H H 1 9.129 0.007 . 1 . . . . . . . . 5850 1 901 . 1 1 88 88 GLN N N 15 116.084 0.049 . 1 . . . . . . . . 5850 1 902 . 1 1 88 88 GLN NE2 N 15 111.440 0.049 . 1 . . . . . . . . 5850 1 903 . 1 1 89 89 SER CA C 13 60.253 2.165 . 1 . . . . . . . . 5850 1 904 . 1 1 89 89 SER CB C 13 62.672 0.135 . 1 . . . . . . . . 5850 1 905 . 1 1 89 89 SER HA H 1 4.197 0.116 . 1 . . . . . . . . 5850 1 906 . 1 1 89 89 SER HB2 H 1 4.104 0.002 . 2 . . . . . . . . 5850 1 907 . 1 1 89 89 SER H H 1 8.657 0.010 . 1 . . . . . . . . 5850 1 908 . 1 1 89 89 SER N N 15 120.591 0.069 . 1 . . . . . . . . 5850 1 909 . 1 1 90 90 ILE CA C 13 63.379 0.098 . 1 . . . . . . . . 5850 1 910 . 1 1 90 90 ILE CB C 13 38.327 0.135 . 1 . . . . . . . . 5850 1 911 . 1 1 90 90 ILE CD1 C 13 14.745 0.098 . 1 . . . . . . . . 5850 1 912 . 1 1 90 90 ILE CG1 C 13 28.701 0.084 . 1 . . . . . . . . 5850 1 913 . 1 1 90 90 ILE CG2 C 13 18.578 0.076 . 1 . . . . . . . . 5850 1 914 . 1 1 90 90 ILE HA H 1 4.100 0.012 . 1 . . . . . . . . 5850 1 915 . 1 1 90 90 ILE HB H 1 1.800 0.012 . 1 . . . . . . . . 5850 1 916 . 1 1 90 90 ILE HD11 H 1 1.097 0.023 . 1 . . . . . . . . 5850 1 917 . 1 1 90 90 ILE HD12 H 1 1.097 0.023 . 1 . . . . . . . . 5850 1 918 . 1 1 90 90 ILE HD13 H 1 1.097 0.023 . 1 . . . . . . . . 5850 1 919 . 1 1 90 90 ILE HG12 H 1 1.343 0.019 . 2 . . . . . . . . 5850 1 920 . 1 1 90 90 ILE HG13 H 1 1.769 0.022 . 2 . . . . . . . . 5850 1 921 . 1 1 90 90 ILE HG21 H 1 1.006 0.012 . 1 . . . . . . . . 5850 1 922 . 1 1 90 90 ILE HG22 H 1 1.006 0.012 . 1 . . . . . . . . 5850 1 923 . 1 1 90 90 ILE HG23 H 1 1.006 0.012 . 1 . . . . . . . . 5850 1 924 . 1 1 90 90 ILE H H 1 8.537 0.010 . 1 . . . . . . . . 5850 1 925 . 1 1 90 90 ILE N N 15 124.566 0.065 . 1 . . . . . . . . 5850 1 926 . 1 1 91 91 LEU CA C 13 58.933 0.078 . 1 . . . . . . . . 5850 1 927 . 1 1 91 91 LEU CB C 13 42.470 0.098 . 1 . . . . . . . . 5850 1 928 . 1 1 91 91 LEU CD1 C 13 26.532 0.060 . 2 . . . . . . . . 5850 1 929 . 1 1 91 91 LEU CD2 C 13 24.691 0.076 . 2 . . . . . . . . 5850 1 930 . 1 1 91 91 LEU CG C 13 26.613 0.096 . 1 . . . . . . . . 5850 1 931 . 1 1 91 91 LEU HA H 1 3.695 0.010 . 1 . . . . . . . . 5850 1 932 . 1 1 91 91 LEU HB2 H 1 1.290 0.012 . 2 . . . . . . . . 5850 1 933 . 1 1 91 91 LEU HB3 H 1 2.182 0.012 . 2 . . . . . . . . 5850 1 934 . 1 1 91 91 LEU HD11 H 1 0.980 0.013 . 2 . . . . . . . . 5850 1 935 . 1 1 91 91 LEU HD12 H 1 0.980 0.013 . 2 . . . . . . . . 5850 1 936 . 1 1 91 91 LEU HD13 H 1 0.980 0.013 . 2 . . . . . . . . 5850 1 937 . 1 1 91 91 LEU HD21 H 1 0.773 0.014 . 2 . . . . . . . . 5850 1 938 . 1 1 91 91 LEU HD22 H 1 0.773 0.014 . 2 . . . . . . . . 5850 1 939 . 1 1 91 91 LEU HD23 H 1 0.773 0.014 . 2 . . . . . . . . 5850 1 940 . 1 1 91 91 LEU HG H 1 1.606 0.011 . 1 . . . . . . . . 5850 1 941 . 1 1 91 91 LEU H H 1 8.057 0.010 . 1 . . . . . . . . 5850 1 942 . 1 1 91 91 LEU N N 15 120.450 0.044 . 1 . . . . . . . . 5850 1 943 . 1 1 92 92 SER CA C 13 61.813 0.135 . 1 . . . . . . . . 5850 1 944 . 1 1 92 92 SER CB C 13 62.805 0.187 . 1 . . . . . . . . 5850 1 945 . 1 1 92 92 SER HA H 1 4.338 0.054 . 1 . . . . . . . . 5850 1 946 . 1 1 92 92 SER HB2 H 1 4.119 0.020 . 2 . . . . . . . . 5850 1 947 . 1 1 92 92 SER H H 1 7.907 0.011 . 1 . . . . . . . . 5850 1 948 . 1 1 92 92 SER N N 15 112.805 0.048 . 1 . . . . . . . . 5850 1 949 . 1 1 93 93 ASP CA C 13 57.742 0.098 . 1 . . . . . . . . 5850 1 950 . 1 1 93 93 ASP CB C 13 39.974 0.089 . 1 . . . . . . . . 5850 1 951 . 1 1 93 93 ASP HA H 1 4.529 0.013 . 1 . . . . . . . . 5850 1 952 . 1 1 93 93 ASP HB2 H 1 2.733 0.010 . 2 . . . . . . . . 5850 1 953 . 1 1 93 93 ASP HB3 H 1 2.992 0.020 . 2 . . . . . . . . 5850 1 954 . 1 1 93 93 ASP H H 1 7.890 0.009 . 1 . . . . . . . . 5850 1 955 . 1 1 93 93 ASP N N 15 122.628 0.041 . 1 . . . . . . . . 5850 1 956 . 1 1 94 94 ILE CA C 13 65.681 0.124 . 1 . . . . . . . . 5850 1 957 . 1 1 94 94 ILE CB C 13 38.009 0.114 . 1 . . . . . . . . 5850 1 958 . 1 1 94 94 ILE CD1 C 13 14.751 0.075 . 1 . . . . . . . . 5850 1 959 . 1 1 94 94 ILE CG1 C 13 28.002 0.084 . 2 . . . . . . . . 5850 1 960 . 1 1 94 94 ILE CG2 C 13 20.006 0.037 . 2 . . . . . . . . 5850 1 961 . 1 1 94 94 ILE HA H 1 3.833 0.013 . 1 . . . . . . . . 5850 1 962 . 1 1 94 94 ILE HB H 1 1.904 0.011 . 1 . . . . . . . . 5850 1 963 . 1 1 94 94 ILE HD11 H 1 0.674 0.015 . 1 . . . . . . . . 5850 1 964 . 1 1 94 94 ILE HD12 H 1 0.674 0.015 . 1 . . . . . . . . 5850 1 965 . 1 1 94 94 ILE HD13 H 1 0.674 0.015 . 1 . . . . . . . . 5850 1 966 . 1 1 94 94 ILE HG12 H 1 0.898 0.017 . 2 . . . . . . . . 5850 1 967 . 1 1 94 94 ILE HG13 H 1 1.915 0.011 . 2 . . . . . . . . 5850 1 968 . 1 1 94 94 ILE HG21 H 1 1.074 0.013 . 1 . . . . . . . . 5850 1 969 . 1 1 94 94 ILE HG22 H 1 1.074 0.013 . 1 . . . . . . . . 5850 1 970 . 1 1 94 94 ILE HG23 H 1 1.074 0.013 . 1 . . . . . . . . 5850 1 971 . 1 1 94 94 ILE H H 1 8.895 0.007 . 1 . . . . . . . . 5850 1 972 . 1 1 94 94 ILE N N 15 120.427 0.050 . 1 . . . . . . . . 5850 1 973 . 1 1 95 95 ASN CA C 13 55.966 0.100 . 1 . . . . . . . . 5850 1 974 . 1 1 95 95 ASN CB C 13 37.864 0.121 . 1 . . . . . . . . 5850 1 975 . 1 1 95 95 ASN HA H 1 4.662 0.009 . 1 . . . . . . . . 5850 1 976 . 1 1 95 95 ASN HB2 H 1 2.787 0.019 . 2 . . . . . . . . 5850 1 977 . 1 1 95 95 ASN HB3 H 1 2.964 0.011 . 2 . . . . . . . . 5850 1 978 . 1 1 95 95 ASN HD21 H 1 6.802 0.013 . 2 . . . . . . . . 5850 1 979 . 1 1 95 95 ASN HD22 H 1 7.369 0.011 . 2 . . . . . . . . 5850 1 980 . 1 1 95 95 ASN H H 1 8.713 0.011 . 1 . . . . . . . . 5850 1 981 . 1 1 95 95 ASN N N 15 118.663 0.095 . 1 . . . . . . . . 5850 1 982 . 1 1 95 95 ASN ND2 N 15 109.531 0.136 . 2 . . . . . . . . 5850 1 983 . 1 1 96 96 SER CA C 13 61.349 0.134 . 1 . . . . . . . . 5850 1 984 . 1 1 96 96 SER CB C 13 63.260 0.187 . 1 . . . . . . . . 5850 1 985 . 1 1 96 96 SER HA H 1 4.373 0.012 . 1 . . . . . . . . 5850 1 986 . 1 1 96 96 SER HB2 H 1 4.111 0.013 . 2 . . . . . . . . 5850 1 987 . 1 1 96 96 SER H H 1 7.965 0.014 . 1 . . . . . . . . 5850 1 988 . 1 1 96 96 SER N N 15 115.205 0.054 . 1 . . . . . . . . 5850 1 989 . 1 1 97 97 MET CA C 13 55.379 0.144 . 1 . . . . . . . . 5850 1 990 . 1 1 97 97 MET CB C 13 34.820 0.114 . 1 . . . . . . . . 5850 1 991 . 1 1 97 97 MET CE C 13 16.505 0.346 . 1 . . . . . . . . 5850 1 992 . 1 1 97 97 MET CG C 13 31.382 0.083 . 1 . . . . . . . . 5850 1 993 . 1 1 97 97 MET HA H 1 4.528 0.010 . 1 . . . . . . . . 5850 1 994 . 1 1 97 97 MET HB2 H 1 2.097 0.012 . 2 . . . . . . . . 5850 1 995 . 1 1 97 97 MET HB3 H 1 2.317 0.011 . 2 . . . . . . . . 5850 1 996 . 1 1 97 97 MET HE1 H 1 2.082 0.011 . 1 . . . . . . . . 5850 1 997 . 1 1 97 97 MET HE2 H 1 2.082 0.011 . 1 . . . . . . . . 5850 1 998 . 1 1 97 97 MET HE3 H 1 2.082 0.011 . 1 . . . . . . . . 5850 1 999 . 1 1 97 97 MET HG2 H 1 2.659 0.011 . 2 . . . . . . . . 5850 1 1000 . 1 1 97 97 MET HG3 H 1 2.872 0.009 . 2 . . . . . . . . 5850 1 1001 . 1 1 97 97 MET H H 1 7.472 0.010 . 1 . . . . . . . . 5850 1 1002 . 1 1 97 97 MET N N 15 118.285 0.046 . 1 . . . . . . . . 5850 1 1003 . 1 1 98 98 LYS CA C 13 54.466 0.043 . 1 . . . . . . . . 5850 1 1004 . 1 1 98 98 LYS CB C 13 33.651 0.017 . 1 . . . . . . . . 5850 1 1005 . 1 1 98 98 LYS CD C 13 29.999 0.132 . 1 . . . . . . . . 5850 1 1006 . 1 1 98 98 LYS CE C 13 39.125 0.008 . 1 . . . . . . . . 5850 1 1007 . 1 1 98 98 LYS CG C 13 23.150 0.094 . 1 . . . . . . . . 5850 1 1008 . 1 1 98 98 LYS HA H 1 2.980 0.013 . 1 . . . . . . . . 5850 1 1009 . 1 1 98 98 LYS HB2 H 1 1.660 0.000 . 2 . . . . . . . . 5850 1 1010 . 1 1 98 98 LYS HB3 H 1 1.683 0.011 . 2 . . . . . . . . 5850 1 1011 . 1 1 98 98 LYS HD2 H 1 1.907 0.003 . 2 . . . . . . . . 5850 1 1012 . 1 1 98 98 LYS HD3 H 1 1.700 0.007 . 2 . . . . . . . . 5850 1 1013 . 1 1 98 98 LYS HE2 H 1 3.121 0.019 . 2 . . . . . . . . 5850 1 1014 . 1 1 98 98 LYS HE3 H 1 3.204 0.022 . 2 . . . . . . . . 5850 1 1015 . 1 1 98 98 LYS HG2 H 1 1.306 0.012 . 2 . . . . . . . . 5850 1 1016 . 1 1 98 98 LYS HG3 H 1 1.656 0.009 . 2 . . . . . . . . 5850 1 1017 . 1 1 98 98 LYS H H 1 7.097 0.009 . 1 . . . . . . . . 5850 1 1018 . 1 1 98 98 LYS N N 15 122.691 0.049 . 1 . . . . . . . . 5850 1 1019 . 1 1 99 99 PRO CA C 13 61.958 0.081 . 1 . . . . . . . . 5850 1 1020 . 1 1 99 99 PRO CB C 13 32.592 0.120 . 1 . . . . . . . . 5850 1 1021 . 1 1 99 99 PRO CD C 13 51.040 0.078 . 1 . . . . . . . . 5850 1 1022 . 1 1 99 99 PRO CG C 13 27.462 0.087 . 1 . . . . . . . . 5850 1 1023 . 1 1 99 99 PRO HA H 1 4.576 0.008 . 1 . . . . . . . . 5850 1 1024 . 1 1 99 99 PRO HB2 H 1 1.811 0.007 . 2 . . . . . . . . 5850 1 1025 . 1 1 99 99 PRO HB3 H 1 2.354 0.011 . 2 . . . . . . . . 5850 1 1026 . 1 1 99 99 PRO HD2 H 1 3.148 0.010 . 2 . . . . . . . . 5850 1 1027 . 1 1 99 99 PRO HD3 H 1 2.777 0.012 . 2 . . . . . . . . 5850 1 1028 . 1 1 99 99 PRO HG2 H 1 1.894 0.011 . 2 . . . . . . . . 5850 1 1029 . 1 1 100 100 SER CA C 13 60.413 0.102 . 1 . . . . . . . . 5850 1 1030 . 1 1 100 100 SER CB C 13 63.207 0.104 . 1 . . . . . . . . 5850 1 1031 . 1 1 100 100 SER HA H 1 4.160 0.015 . 1 . . . . . . . . 5850 1 1032 . 1 1 100 100 SER HB2 H 1 3.891 0.013 . 2 . . . . . . . . 5850 1 1033 . 1 1 100 100 SER H H 1 8.609 0.012 . 1 . . . . . . . . 5850 1 1034 . 1 1 100 100 SER N N 15 116.876 0.055 . 1 . . . . . . . . 5850 1 1035 . 1 1 101 101 ASN CA C 13 53.308 0.131 . 1 . . . . . . . . 5850 1 1036 . 1 1 101 101 ASN CB C 13 38.657 0.145 . 1 . . . . . . . . 5850 1 1037 . 1 1 101 101 ASN HA H 1 4.793 0.013 . 1 . . . . . . . . 5850 1 1038 . 1 1 101 101 ASN HB2 H 1 2.765 0.013 . 2 . . . . . . . . 5850 1 1039 . 1 1 101 101 ASN HB3 H 1 2.880 0.016 . 2 . . . . . . . . 5850 1 1040 . 1 1 101 101 ASN HD21 H 1 6.931 0.014 . 2 . . . . . . . . 5850 1 1041 . 1 1 101 101 ASN HD22 H 1 7.631 0.010 . 2 . . . . . . . . 5850 1 1042 . 1 1 101 101 ASN H H 1 8.415 0.006 . 1 . . . . . . . . 5850 1 1043 . 1 1 101 101 ASN N N 15 117.835 0.077 . 1 . . . . . . . . 5850 1 1044 . 1 1 101 101 ASN ND2 N 15 112.990 0.312 . 1 . . . . . . . . 5850 1 1045 . 1 1 102 102 CYS CA C 13 56.320 0.027 . 1 . . . . . . . . 5850 1 1046 . 1 1 102 102 CYS CB C 13 30.601 0.089 . 1 . . . . . . . . 5850 1 1047 . 1 1 102 102 CYS HA H 1 4.813 0.006 . 1 . . . . . . . . 5850 1 1048 . 1 1 102 102 CYS HB2 H 1 2.756 0.012 . 2 . . . . . . . . 5850 1 1049 . 1 1 102 102 CYS HB3 H 1 3.393 0.005 . 2 . . . . . . . . 5850 1 1050 . 1 1 102 102 CYS H H 1 7.909 0.023 . 1 . . . . . . . . 5850 1 1051 . 1 1 102 102 CYS N N 15 116.280 0.074 . 1 . . . . . . . . 5850 1 1052 . 1 1 103 103 ARG CA C 13 58.810 0.208 . 1 . . . . . . . . 5850 1 1053 . 1 1 103 103 ARG CB C 13 31.758 0.139 . 1 . . . . . . . . 5850 1 1054 . 1 1 103 103 ARG CD C 13 44.426 0.101 . 1 . . . . . . . . 5850 1 1055 . 1 1 103 103 ARG CG C 13 26.208 0.152 . 1 . . . . . . . . 5850 1 1056 . 1 1 103 103 ARG HA H 1 4.169 0.014 . 1 . . . . . . . . 5850 1 1057 . 1 1 103 103 ARG HB2 H 1 1.962 0.018 . 2 . . . . . . . . 5850 1 1058 . 1 1 103 103 ARG HB3 H 1 2.066 0.012 . 2 . . . . . . . . 5850 1 1059 . 1 1 103 103 ARG HD2 H 1 3.042 0.022 . 2 . . . . . . . . 5850 1 1060 . 1 1 103 103 ARG HD3 H 1 2.683 0.013 . 2 . . . . . . . . 5850 1 1061 . 1 1 103 103 ARG HE H 1 7.034 0.010 . 2 . . . . . . . . 5850 1 1062 . 1 1 103 103 ARG HG2 H 1 1.524 0.010 . 2 . . . . . . . . 5850 1 1063 . 1 1 103 103 ARG HG3 H 1 1.728 0.011 . 2 . . . . . . . . 5850 1 1064 . 1 1 103 103 ARG HH22 H 1 6.622 0.021 . 2 . . . . . . . . 5850 1 1065 . 1 1 103 103 ARG H H 1 8.438 0.008 . 1 . . . . . . . . 5850 1 1066 . 1 1 103 103 ARG N N 15 123.783 0.054 . 1 . . . . . . . . 5850 1 1067 . 1 1 103 103 ARG NE N 15 119.577 0.000 . 1 . . . . . . . . 5850 1 1068 . 1 1 104 104 ALA CA C 13 54.273 0.119 . 1 . . . . . . . . 5850 1 1069 . 1 1 104 104 ALA CB C 13 21.059 0.131 . 1 . . . . . . . . 5850 1 1070 . 1 1 104 104 ALA HA H 1 4.276 0.012 . 1 . . . . . . . . 5850 1 1071 . 1 1 104 104 ALA HB1 H 1 1.386 0.012 . 1 . . . . . . . . 5850 1 1072 . 1 1 104 104 ALA HB2 H 1 1.386 0.012 . 1 . . . . . . . . 5850 1 1073 . 1 1 104 104 ALA HB3 H 1 1.386 0.012 . 1 . . . . . . . . 5850 1 1074 . 1 1 104 104 ALA H H 1 8.032 0.010 . 1 . . . . . . . . 5850 1 1075 . 1 1 104 104 ALA N N 15 119.161 0.076 . 1 . . . . . . . . 5850 1 1076 . 1 1 105 105 LYS CA C 13 55.259 0.086 . 1 . . . . . . . . 5850 1 1077 . 1 1 105 105 LYS CB C 13 33.832 0.128 . 1 . . . . . . . . 5850 1 1078 . 1 1 105 105 LYS CD C 13 29.348 0.061 . 1 . . . . . . . . 5850 1 1079 . 1 1 105 105 LYS CE C 13 42.314 0.082 . 1 . . . . . . . . 5850 1 1080 . 1 1 105 105 LYS CG C 13 25.094 0.072 . 1 . . . . . . . . 5850 1 1081 . 1 1 105 105 LYS HA H 1 4.547 0.009 . 1 . . . . . . . . 5850 1 1082 . 1 1 105 105 LYS HB2 H 1 1.904 0.008 . 2 . . . . . . . . 5850 1 1083 . 1 1 105 105 LYS HD2 H 1 1.781 0.015 . 2 . . . . . . . . 5850 1 1084 . 1 1 105 105 LYS HE2 H 1 3.098 0.009 . 2 . . . . . . . . 5850 1 1085 . 1 1 105 105 LYS HG2 H 1 1.540 0.000 . 2 . . . . . . . . 5850 1 1086 . 1 1 105 105 LYS HG3 H 1 1.668 0.009 . 2 . . . . . . . . 5850 1 1087 . 1 1 105 105 LYS H H 1 7.921 0.012 . 1 . . . . . . . . 5850 1 1088 . 1 1 105 105 LYS N N 15 121.120 0.058 . 1 . . . . . . . . 5850 1 1089 . 1 1 106 106 VAL CA C 13 61.931 0.114 . 1 . . . . . . . . 5850 1 1090 . 1 1 106 106 VAL CB C 13 32.223 0.150 . 1 . . . . . . . . 5850 1 1091 . 1 1 106 106 VAL CG1 C 13 21.792 0.094 . 2 . . . . . . . . 5850 1 1092 . 1 1 106 106 VAL CG2 C 13 21.628 0.072 . 2 . . . . . . . . 5850 1 1093 . 1 1 106 106 VAL HA H 1 4.985 0.016 . 1 . . . . . . . . 5850 1 1094 . 1 1 106 106 VAL HB H 1 2.149 0.010 . 1 . . . . . . . . 5850 1 1095 . 1 1 106 106 VAL HG11 H 1 0.877 0.008 . 2 . . . . . . . . 5850 1 1096 . 1 1 106 106 VAL HG12 H 1 0.877 0.008 . 2 . . . . . . . . 5850 1 1097 . 1 1 106 106 VAL HG13 H 1 0.877 0.008 . 2 . . . . . . . . 5850 1 1098 . 1 1 106 106 VAL HG21 H 1 1.001 0.009 . 2 . . . . . . . . 5850 1 1099 . 1 1 106 106 VAL HG22 H 1 1.001 0.009 . 2 . . . . . . . . 5850 1 1100 . 1 1 106 106 VAL HG23 H 1 1.001 0.009 . 2 . . . . . . . . 5850 1 1101 . 1 1 106 106 VAL H H 1 8.757 0.006 . 1 . . . . . . . . 5850 1 1102 . 1 1 106 106 VAL N N 15 126.762 0.046 . 1 . . . . . . . . 5850 1 1103 . 1 1 107 107 VAL CA C 13 58.156 0.081 . 1 . . . . . . . . 5850 1 1104 . 1 1 107 107 VAL CB C 13 36.086 0.100 . 1 . . . . . . . . 5850 1 1105 . 1 1 107 107 VAL CG1 C 13 21.438 0.061 . 2 . . . . . . . . 5850 1 1106 . 1 1 107 107 VAL CG2 C 13 19.490 0.055 . 2 . . . . . . . . 5850 1 1107 . 1 1 107 107 VAL HA H 1 4.906 0.016 . 1 . . . . . . . . 5850 1 1108 . 1 1 107 107 VAL HB H 1 2.207 0.010 . 1 . . . . . . . . 5850 1 1109 . 1 1 107 107 VAL HG11 H 1 0.727 0.014 . 2 . . . . . . . . 5850 1 1110 . 1 1 107 107 VAL HG12 H 1 0.727 0.014 . 2 . . . . . . . . 5850 1 1111 . 1 1 107 107 VAL HG13 H 1 0.727 0.014 . 2 . . . . . . . . 5850 1 1112 . 1 1 107 107 VAL HG21 H 1 0.442 0.014 . 2 . . . . . . . . 5850 1 1113 . 1 1 107 107 VAL HG22 H 1 0.442 0.014 . 2 . . . . . . . . 5850 1 1114 . 1 1 107 107 VAL HG23 H 1 0.442 0.014 . 2 . . . . . . . . 5850 1 1115 . 1 1 107 107 VAL H H 1 8.980 0.011 . 1 . . . . . . . . 5850 1 1116 . 1 1 107 107 VAL N N 15 120.751 0.051 . 1 . . . . . . . . 5850 1 1117 . 1 1 108 108 LEU CA C 13 53.715 0.097 . 1 . . . . . . . . 5850 1 1118 . 1 1 108 108 LEU CB C 13 44.207 0.615 . 1 . . . . . . . . 5850 1 1119 . 1 1 108 108 LEU CD1 C 13 27.247 0.056 . 2 . . . . . . . . 5850 1 1120 . 1 1 108 108 LEU CD2 C 13 22.962 0.076 . 2 . . . . . . . . 5850 1 1121 . 1 1 108 108 LEU CG C 13 26.706 0.192 . 1 . . . . . . . . 5850 1 1122 . 1 1 108 108 LEU HA H 1 4.697 0.011 . 1 . . . . . . . . 5850 1 1123 . 1 1 108 108 LEU HB2 H 1 1.351 0.011 . 2 . . . . . . . . 5850 1 1124 . 1 1 108 108 LEU HB3 H 1 1.905 0.013 . 2 . . . . . . . . 5850 1 1125 . 1 1 108 108 LEU HD11 H 1 0.745 0.013 . 2 . . . . . . . . 5850 1 1126 . 1 1 108 108 LEU HD12 H 1 0.745 0.013 . 2 . . . . . . . . 5850 1 1127 . 1 1 108 108 LEU HD13 H 1 0.745 0.013 . 2 . . . . . . . . 5850 1 1128 . 1 1 108 108 LEU HD21 H 1 0.633 0.012 . 2 . . . . . . . . 5850 1 1129 . 1 1 108 108 LEU HD22 H 1 0.633 0.012 . 2 . . . . . . . . 5850 1 1130 . 1 1 108 108 LEU HD23 H 1 0.633 0.012 . 2 . . . . . . . . 5850 1 1131 . 1 1 108 108 LEU HG H 1 1.248 0.022 . 1 . . . . . . . . 5850 1 1132 . 1 1 108 108 LEU H H 1 8.742 0.010 . 1 . . . . . . . . 5850 1 1133 . 1 1 108 108 LEU N N 15 122.998 0.102 . 1 . . . . . . . . 5850 1 1134 . 1 1 109 109 PHE CA C 13 58.008 0.167 . 1 . . . . . . . . 5850 1 1135 . 1 1 109 109 PHE CB C 13 41.620 0.132 . 1 . . . . . . . . 5850 1 1136 . 1 1 109 109 PHE CD2 C 13 132.216 0.126 . 2 . . . . . . . . 5850 1 1137 . 1 1 109 109 PHE CE2 C 13 130.765 0.177 . 2 . . . . . . . . 5850 1 1138 . 1 1 109 109 PHE HA H 1 4.158 0.012 . 1 . . . . . . . . 5850 1 1139 . 1 1 109 109 PHE HB2 H 1 2.270 0.016 . 2 . . . . . . . . 5850 1 1140 . 1 1 109 109 PHE HB3 H 1 2.937 0.010 . 2 . . . . . . . . 5850 1 1141 . 1 1 109 109 PHE HD2 H 1 6.106 0.016 . 3 . . . . . . . . 5850 1 1142 . 1 1 109 109 PHE HE2 H 1 7.039 0.009 . 3 . . . . . . . . 5850 1 1143 . 1 1 109 109 PHE H H 1 8.793 0.010 . 1 . . . . . . . . 5850 1 1144 . 1 1 109 109 PHE N N 15 128.728 0.038 . 1 . . . . . . . . 5850 1 1145 . 1 1 110 110 ASN CA C 13 53.911 0.127 . 1 . . . . . . . . 5850 1 1146 . 1 1 110 110 ASN CB C 13 39.040 0.073 . 1 . . . . . . . . 5850 1 1147 . 1 1 110 110 ASN HA H 1 4.169 0.010 . 1 . . . . . . . . 5850 1 1148 . 1 1 110 110 ASN HB2 H 1 3.199 0.008 . 2 . . . . . . . . 5850 1 1149 . 1 1 110 110 ASN HB3 H 1 1.601 0.012 . 2 . . . . . . . . 5850 1 1150 . 1 1 110 110 ASN HD21 H 1 6.834 0.006 . 2 . . . . . . . . 5850 1 1151 . 1 1 110 110 ASN HD22 H 1 7.088 0.034 . 2 . . . . . . . . 5850 1 1152 . 1 1 110 110 ASN H H 1 8.275 0.010 . 1 . . . . . . . . 5850 1 1153 . 1 1 110 110 ASN N N 15 121.092 0.126 . 1 . . . . . . . . 5850 1 1154 . 1 1 110 110 ASN ND2 N 15 110.627 0.103 . 1 . . . . . . . . 5850 1 1155 . 1 1 111 111 PRO CD C 13 50.282 0.095 . 1 . . . . . . . . 5850 1 1156 . 1 1 111 111 PRO CG C 13 24.173 0.049 . 1 . . . . . . . . 5850 1 1157 . 1 1 111 111 PRO HA H 1 4.492 0.002 . 1 . . . . . . . . 5850 1 1158 . 1 1 111 111 PRO HB2 H 1 2.374 0.019 . 2 . . . . . . . . 5850 1 1159 . 1 1 111 111 PRO HB3 H 1 2.135 0.009 . 2 . . . . . . . . 5850 1 1160 . 1 1 111 111 PRO HD2 H 1 3.502 0.011 . 2 . . . . . . . . 5850 1 1161 . 1 1 111 111 PRO HD3 H 1 3.731 0.008 . 2 . . . . . . . . 5850 1 1162 . 1 1 111 111 PRO HG2 H 1 2.026 0.010 . 2 . . . . . . . . 5850 1 1163 . 1 1 111 111 PRO HG3 H 1 1.803 0.005 . 2 . . . . . . . . 5850 1 1164 . 1 1 112 112 PRO CA C 13 63.959 0.083 . 1 . . . . . . . . 5850 1 1165 . 1 1 112 112 PRO CB C 13 34.964 0.230 . 1 . . . . . . . . 5850 1 1166 . 1 1 112 112 PRO HA H 1 4.264 0.005 . 1 . . . . . . . . 5850 1 1167 . 1 1 112 112 PRO HB2 H 1 2.413 0.020 . 2 . . . . . . . . 5850 1 1168 . 1 1 113 113 ASN CA C 13 54.136 0.094 . 1 . . . . . . . . 5850 1 1169 . 1 1 113 113 ASN CB C 13 40.536 0.086 . 1 . . . . . . . . 5850 1 1170 . 1 1 113 113 ASN HA H 1 5.120 0.019 . 1 . . . . . . . . 5850 1 1171 . 1 1 113 113 ASN HB2 H 1 2.861 0.010 . 2 . . . . . . . . 5850 1 1172 . 1 1 113 113 ASN HB3 H 1 3.013 0.020 . 2 . . . . . . . . 5850 1 1173 . 1 1 113 113 ASN HD21 H 1 7.663 0.015 . 2 . . . . . . . . 5850 1 1174 . 1 1 113 113 ASN HD22 H 1 7.040 0.032 . 2 . . . . . . . . 5850 1 1175 . 1 1 113 113 ASN H H 1 8.700 0.006 . 1 . . . . . . . . 5850 1 1176 . 1 1 113 113 ASN N N 15 118.797 0.075 . 1 . . . . . . . . 5850 1 1177 . 1 1 113 113 ASN ND2 N 15 113.601 0.244 . 2 . . . . . . . . 5850 1 1178 . 1 1 114 114 GLY CA C 13 45.193 0.129 . 1 . . . . . . . . 5850 1 1179 . 1 1 114 114 GLY HA2 H 1 4.396 0.013 . 2 . . . . . . . . 5850 1 1180 . 1 1 114 114 GLY HA3 H 1 4.739 0.004 . 2 . . . . . . . . 5850 1 1181 . 1 1 114 114 GLY H H 1 8.659 0.009 . 1 . . . . . . . . 5850 1 1182 . 1 1 114 114 GLY N N 15 112.693 0.076 . 1 . . . . . . . . 5850 1 1183 . 1 1 115 115 VAL CA C 13 61.015 0.087 . 1 . . . . . . . . 5850 1 1184 . 1 1 115 115 VAL CB C 13 34.508 0.235 . 1 . . . . . . . . 5850 1 1185 . 1 1 115 115 VAL CG2 C 13 21.173 0.079 . 2 . . . . . . . . 5850 1 1186 . 1 1 115 115 VAL HA H 1 4.352 0.016 . 1 . . . . . . . . 5850 1 1187 . 1 1 115 115 VAL HB H 1 1.924 0.008 . 1 . . . . . . . . 5850 1 1188 . 1 1 115 115 VAL HG21 H 1 0.947 0.008 . 2 . . . . . . . . 5850 1 1189 . 1 1 115 115 VAL HG22 H 1 0.947 0.008 . 2 . . . . . . . . 5850 1 1190 . 1 1 115 115 VAL HG23 H 1 0.947 0.008 . 2 . . . . . . . . 5850 1 1191 . 1 1 115 115 VAL H H 1 9.091 0.011 . 1 . . . . . . . . 5850 1 1192 . 1 1 115 115 VAL N N 15 124.665 0.058 . 1 . . . . . . . . 5850 1 1193 . 1 1 116 116 ASP CA C 13 55.033 0.119 . 1 . . . . . . . . 5850 1 1194 . 1 1 116 116 ASP CB C 13 40.735 0.087 . 1 . . . . . . . . 5850 1 1195 . 1 1 116 116 ASP HA H 1 4.495 0.018 . 1 . . . . . . . . 5850 1 1196 . 1 1 116 116 ASP HB2 H 1 2.483 0.010 . 2 . . . . . . . . 5850 1 1197 . 1 1 116 116 ASP HB3 H 1 2.633 0.016 . 2 . . . . . . . . 5850 1 1198 . 1 1 116 116 ASP H H 1 8.342 0.007 . 1 . . . . . . . . 5850 1 1199 . 1 1 116 116 ASP N N 15 127.311 0.036 . 1 . . . . . . . . 5850 1 1200 . 1 1 117 117 ASP CA C 13 51.924 0.042 . 1 . . . . . . . . 5850 1 1201 . 1 1 117 117 ASP CB C 13 41.935 0.165 . 1 . . . . . . . . 5850 1 1202 . 1 1 117 117 ASP HA H 1 4.404 0.023 . 1 . . . . . . . . 5850 1 1203 . 1 1 117 117 ASP HB2 H 1 2.696 0.015 . 2 . . . . . . . . 5850 1 1204 . 1 1 117 117 ASP HB3 H 1 3.034 0.024 . 2 . . . . . . . . 5850 1 1205 . 1 1 117 117 ASP H H 1 8.866 0.008 . 1 . . . . . . . . 5850 1 1206 . 1 1 117 117 ASP N N 15 122.625 0.034 . 1 . . . . . . . . 5850 1 1207 . 1 1 119 119 TYR CA C 13 62.141 0.100 . 1 . . . . . . . . 5850 1 1208 . 1 1 119 119 TYR CB C 13 38.778 0.130 . 1 . . . . . . . . 5850 1 1209 . 1 1 119 119 TYR CD2 C 13 133.049 0.185 . 2 . . . . . . . . 5850 1 1210 . 1 1 119 119 TYR CE2 C 13 118.699 0.052 . 2 . . . . . . . . 5850 1 1211 . 1 1 119 119 TYR HA H 1 4.120 0.013 . 1 . . . . . . . . 5850 1 1212 . 1 1 119 119 TYR HB2 H 1 2.637 0.012 . 2 . . . . . . . . 5850 1 1213 . 1 1 119 119 TYR HB3 H 1 3.183 0.010 . 2 . . . . . . . . 5850 1 1214 . 1 1 119 119 TYR HD2 H 1 6.529 0.014 . 3 . . . . . . . . 5850 1 1215 . 1 1 119 119 TYR HE2 H 1 6.810 0.014 . 3 . . . . . . . . 5850 1 1216 . 1 1 119 119 TYR H H 1 7.998 0.007 . 1 . . . . . . . . 5850 1 1217 . 1 1 119 119 TYR N N 15 121.300 0.091 . 1 . . . . . . . . 5850 1 1218 . 1 1 120 120 TYR CA C 13 58.273 0.108 . 1 . . . . . . . . 5850 1 1219 . 1 1 120 120 TYR CB C 13 38.026 0.160 . 1 . . . . . . . . 5850 1 1220 . 1 1 120 120 TYR CD2 C 13 133.582 0.043 . 2 . . . . . . . . 5850 1 1221 . 1 1 120 120 TYR CE2 C 13 118.952 0.077 . 2 . . . . . . . . 5850 1 1222 . 1 1 120 120 TYR HA H 1 4.609 0.019 . 1 . . . . . . . . 5850 1 1223 . 1 1 120 120 TYR HB2 H 1 2.857 0.010 . 2 . . . . . . . . 5850 1 1224 . 1 1 120 120 TYR HB3 H 1 3.468 0.006 . 2 . . . . . . . . 5850 1 1225 . 1 1 120 120 TYR HD2 H 1 7.285 0.015 . 3 . . . . . . . . 5850 1 1226 . 1 1 120 120 TYR HE2 H 1 7.027 0.015 . 3 . . . . . . . . 5850 1 1227 . 1 1 120 120 TYR H H 1 8.340 0.020 . 1 . . . . . . . . 5850 1 1228 . 1 1 120 120 TYR N N 15 115.938 0.094 . 1 . . . . . . . . 5850 1 1229 . 1 1 121 121 SER CA C 13 57.225 0.333 . 1 . . . . . . . . 5850 1 1230 . 1 1 121 121 SER CB C 13 65.372 0.080 . 1 . . . . . . . . 5850 1 1231 . 1 1 121 121 SER HA H 1 4.770 0.022 . 2 . . . . . . . . 5850 1 1232 . 1 1 121 121 SER HB2 H 1 3.952 0.033 . 2 . . . . . . . . 5850 1 1233 . 1 1 121 121 SER H H 1 7.797 0.010 . 1 . . . . . . . . 5850 1 1234 . 1 1 121 121 SER N N 15 115.564 0.079 . 1 . . . . . . . . 5850 1 1235 . 1 1 122 122 SER CA C 13 60.458 0.071 . 1 . . . . . . . . 5850 1 1236 . 1 1 122 122 SER CB C 13 63.383 0.112 . 1 . . . . . . . . 5850 1 1237 . 1 1 122 122 SER HA H 1 4.548 0.015 . 1 . . . . . . . . 5850 1 1238 . 1 1 122 122 SER HB2 H 1 3.983 0.017 . 2 . . . . . . . . 5850 1 1239 . 1 1 122 122 SER H H 1 8.992 0.008 . 1 . . . . . . . . 5850 1 1240 . 1 1 122 122 SER N N 15 118.073 0.048 . 1 . . . . . . . . 5850 1 1241 . 1 1 123 123 ASP CA C 13 54.317 0.130 . 1 . . . . . . . . 5850 1 1242 . 1 1 123 123 ASP CB C 13 40.856 0.122 . 1 . . . . . . . . 5850 1 1243 . 1 1 123 123 ASP HA H 1 4.998 0.017 . 1 . . . . . . . . 5850 1 1244 . 1 1 123 123 ASP HB2 H 1 2.797 0.006 . 2 . . . . . . . . 5850 1 1245 . 1 1 123 123 ASP H H 1 8.477 0.007 . 1 . . . . . . . . 5850 1 1246 . 1 1 123 123 ASP N N 15 120.581 0.079 . 1 . . . . . . . . 5850 1 1247 . 1 1 124 124 GLY CA C 13 46.803 0.228 . 1 . . . . . . . . 5850 1 1248 . 1 1 124 124 GLY HA2 H 1 3.972 0.030 . 2 . . . . . . . . 5850 1 1249 . 1 1 124 124 GLY HA3 H 1 4.141 0.041 . 2 . . . . . . . . 5850 1 1250 . 1 1 124 124 GLY H H 1 8.280 0.007 . 1 . . . . . . . . 5850 1 1251 . 1 1 124 124 GLY N N 15 106.270 0.056 . 1 . . . . . . . . 5850 1 1252 . 1 1 125 125 PHE CA C 13 65.246 0.094 . 1 . . . . . . . . 5850 1 1253 . 1 1 125 125 PHE CB C 13 36.654 0.144 . 1 . . . . . . . . 5850 1 1254 . 1 1 125 125 PHE CD2 C 13 131.248 0.064 . 2 . . . . . . . . 5850 1 1255 . 1 1 125 125 PHE CE2 C 13 133.058 0.000 . 2 . . . . . . . . 5850 1 1256 . 1 1 125 125 PHE HA H 1 4.190 0.012 . 1 . . . . . . . . 5850 1 1257 . 1 1 125 125 PHE HB2 H 1 2.782 0.008 . 2 . . . . . . . . 5850 1 1258 . 1 1 125 125 PHE HB3 H 1 3.531 0.014 . 2 . . . . . . . . 5850 1 1259 . 1 1 125 125 PHE HD2 H 1 7.231 0.016 . 3 . . . . . . . . 5850 1 1260 . 1 1 125 125 PHE HE2 H 1 7.114 0.024 . 3 . . . . . . . . 5850 1 1261 . 1 1 125 125 PHE H H 1 8.799 0.011 . 1 . . . . . . . . 5850 1 1262 . 1 1 125 125 PHE N N 15 120.510 0.064 . 1 . . . . . . . . 5850 1 1263 . 1 1 126 126 PRO CA C 13 66.970 0.103 . 1 . . . . . . . . 5850 1 1264 . 1 1 126 126 PRO CB C 13 31.133 0.153 . 1 . . . . . . . . 5850 1 1265 . 1 1 126 126 PRO CD C 13 50.543 0.070 . 1 . . . . . . . . 5850 1 1266 . 1 1 126 126 PRO HA H 1 4.368 0.015 . 1 . . . . . . . . 5850 1 1267 . 1 1 126 126 PRO HB2 H 1 2.078 0.009 . 2 . . . . . . . . 5850 1 1268 . 1 1 126 126 PRO HB3 H 1 2.486 0.009 . 2 . . . . . . . . 5850 1 1269 . 1 1 126 126 PRO HD2 H 1 3.906 0.010 . 2 . . . . . . . . 5850 1 1270 . 1 1 126 126 PRO HG2 H 1 1.029 0.014 . 2 . . . . . . . . 5850 1 1271 . 1 1 127 127 THR CA C 13 66.305 0.071 . 1 . . . . . . . . 5850 1 1272 . 1 1 127 127 THR CB C 13 68.588 0.190 . 1 . . . . . . . . 5850 1 1273 . 1 1 127 127 THR CG2 C 13 22.050 0.162 . 1 . . . . . . . . 5850 1 1274 . 1 1 127 127 THR HA H 1 4.086 0.013 . 1 . . . . . . . . 5850 1 1275 . 1 1 127 127 THR HB H 1 4.173 0.024 . 1 . . . . . . . . 5850 1 1276 . 1 1 127 127 THR HG21 H 1 1.301 0.009 . 1 . . . . . . . . 5850 1 1277 . 1 1 127 127 THR HG22 H 1 1.301 0.009 . 1 . . . . . . . . 5850 1 1278 . 1 1 127 127 THR HG23 H 1 1.301 0.009 . 1 . . . . . . . . 5850 1 1279 . 1 1 127 127 THR H H 1 7.777 0.010 . 1 . . . . . . . . 5850 1 1280 . 1 1 127 127 THR N N 15 115.005 0.066 . 1 . . . . . . . . 5850 1 1281 . 1 1 128 128 MET CA C 13 59.807 0.089 . 1 . . . . . . . . 5850 1 1282 . 1 1 128 128 MET CB C 13 32.713 0.196 . 1 . . . . . . . . 5850 1 1283 . 1 1 128 128 MET CE C 13 16.218 0.246 . 1 . . . . . . . . 5850 1 1284 . 1 1 128 128 MET CG C 13 30.709 0.019 . 1 . . . . . . . . 5850 1 1285 . 1 1 128 128 MET HA H 1 3.956 0.024 . 1 . . . . . . . . 5850 1 1286 . 1 1 128 128 MET HB2 H 1 1.799 0.000 . 2 . . . . . . . . 5850 1 1287 . 1 1 128 128 MET HB3 H 1 2.346 0.003 . 2 . . . . . . . . 5850 1 1288 . 1 1 128 128 MET HE1 H 1 2.065 0.010 . 1 . . . . . . . . 5850 1 1289 . 1 1 128 128 MET HE2 H 1 2.065 0.010 . 1 . . . . . . . . 5850 1 1290 . 1 1 128 128 MET HE3 H 1 2.065 0.010 . 1 . . . . . . . . 5850 1 1291 . 1 1 128 128 MET HG2 H 1 2.365 0.014 . 2 . . . . . . . . 5850 1 1292 . 1 1 128 128 MET HG3 H 1 2.124 0.023 . 2 . . . . . . . . 5850 1 1293 . 1 1 128 128 MET H H 1 7.998 0.011 . 1 . . . . . . . . 5850 1 1294 . 1 1 128 128 MET N N 15 123.774 0.039 . 1 . . . . . . . . 5850 1 1295 . 1 1 129 129 PHE CA C 13 63.220 0.068 . 1 . . . . . . . . 5850 1 1296 . 1 1 129 129 PHE CB C 13 40.697 0.096 . 1 . . . . . . . . 5850 1 1297 . 1 1 129 129 PHE CD2 C 13 132.594 0.250 . 2 . . . . . . . . 5850 1 1298 . 1 1 129 129 PHE HA H 1 3.554 0.010 . 1 . . . . . . . . 5850 1 1299 . 1 1 129 129 PHE HB2 H 1 2.921 0.008 . 2 . . . . . . . . 5850 1 1300 . 1 1 129 129 PHE HB3 H 1 3.316 0.009 . 2 . . . . . . . . 5850 1 1301 . 1 1 129 129 PHE HD2 H 1 7.207 0.037 . 3 . . . . . . . . 5850 1 1302 . 1 1 129 129 PHE HE2 H 1 7.020 0.006 . 3 . . . . . . . . 5850 1 1303 . 1 1 129 129 PHE H H 1 8.383 0.010 . 1 . . . . . . . . 5850 1 1304 . 1 1 129 129 PHE HZ H 1 7.321 0.014 . 1 . . . . . . . . 5850 1 1305 . 1 1 129 129 PHE N N 15 118.368 0.076 . 1 . . . . . . . . 5850 1 1306 . 1 1 130 130 ALA CA C 13 55.452 0.085 . 1 . . . . . . . . 5850 1 1307 . 1 1 130 130 ALA CB C 13 18.532 0.133 . 1 . . . . . . . . 5850 1 1308 . 1 1 130 130 ALA HA H 1 4.191 0.010 . 1 . . . . . . . . 5850 1 1309 . 1 1 130 130 ALA HB1 H 1 1.659 0.012 . 1 . . . . . . . . 5850 1 1310 . 1 1 130 130 ALA HB2 H 1 1.659 0.012 . 1 . . . . . . . . 5850 1 1311 . 1 1 130 130 ALA HB3 H 1 1.659 0.012 . 1 . . . . . . . . 5850 1 1312 . 1 1 130 130 ALA H H 1 8.422 0.009 . 1 . . . . . . . . 5850 1 1313 . 1 1 130 130 ALA N N 15 121.738 0.058 . 1 . . . . . . . . 5850 1 1314 . 1 1 131 131 SER CA C 13 61.905 0.144 . 1 . . . . . . . . 5850 1 1315 . 1 1 131 131 SER CB C 13 63.341 0.124 . 1 . . . . . . . . 5850 1 1316 . 1 1 131 131 SER HA H 1 4.195 0.071 . 1 . . . . . . . . 5850 1 1317 . 1 1 131 131 SER HB2 H 1 4.018 0.091 . 2 . . . . . . . . 5850 1 1318 . 1 1 131 131 SER H H 1 8.585 0.014 . 1 . . . . . . . . 5850 1 1319 . 1 1 131 131 SER N N 15 114.271 0.059 . 1 . . . . . . . . 5850 1 1320 . 1 1 132 132 ILE CA C 13 65.878 0.078 . 1 . . . . . . . . 5850 1 1321 . 1 1 132 132 ILE CB C 13 38.603 0.096 . 1 . . . . . . . . 5850 1 1322 . 1 1 132 132 ILE CD1 C 13 15.682 0.070 . 2 . . . . . . . . 5850 1 1323 . 1 1 132 132 ILE CG1 C 13 28.963 0.112 . 2 . . . . . . . . 5850 1 1324 . 1 1 132 132 ILE CG2 C 13 21.234 0.059 . 2 . . . . . . . . 5850 1 1325 . 1 1 132 132 ILE HA H 1 3.667 0.018 . 1 . . . . . . . . 5850 1 1326 . 1 1 132 132 ILE HB H 1 1.370 0.008 . 1 . . . . . . . . 5850 1 1327 . 1 1 132 132 ILE HD11 H 1 0.666 0.013 . 1 . . . . . . . . 5850 1 1328 . 1 1 132 132 ILE HD12 H 1 0.666 0.013 . 1 . . . . . . . . 5850 1 1329 . 1 1 132 132 ILE HD13 H 1 0.666 0.013 . 1 . . . . . . . . 5850 1 1330 . 1 1 132 132 ILE HG12 H 1 0.585 0.015 . 2 . . . . . . . . 5850 1 1331 . 1 1 132 132 ILE HG13 H 1 1.968 0.020 . 2 . . . . . . . . 5850 1 1332 . 1 1 132 132 ILE HG21 H 1 0.577 0.020 . 1 . . . . . . . . 5850 1 1333 . 1 1 132 132 ILE HG22 H 1 0.577 0.020 . 1 . . . . . . . . 5850 1 1334 . 1 1 132 132 ILE HG23 H 1 0.577 0.020 . 1 . . . . . . . . 5850 1 1335 . 1 1 132 132 ILE H H 1 7.974 0.014 . 1 . . . . . . . . 5850 1 1336 . 1 1 132 132 ILE N N 15 119.920 0.050 . 1 . . . . . . . . 5850 1 1337 . 1 1 133 133 SER CA C 13 62.513 0.171 . 1 . . . . . . . . 5850 1 1338 . 1 1 133 133 SER CB C 13 62.855 0.073 . 1 . . . . . . . . 5850 1 1339 . 1 1 133 133 SER HA H 1 3.842 0.017 . 1 . . . . . . . . 5850 1 1340 . 1 1 133 133 SER HB2 H 1 3.705 0.022 . 2 . . . . . . . . 5850 1 1341 . 1 1 133 133 SER H H 1 8.282 0.009 . 1 . . . . . . . . 5850 1 1342 . 1 1 133 133 SER N N 15 112.673 0.067 . 1 . . . . . . . . 5850 1 1343 . 1 1 134 134 LYS CA C 13 58.925 0.123 . 1 . . . . . . . . 5850 1 1344 . 1 1 134 134 LYS CB C 13 32.700 0.112 . 1 . . . . . . . . 5850 1 1345 . 1 1 134 134 LYS CD C 13 29.391 0.027 . 1 . . . . . . . . 5850 1 1346 . 1 1 134 134 LYS CE C 13 42.278 0.019 . 1 . . . . . . . . 5850 1 1347 . 1 1 134 134 LYS CG C 13 25.082 0.095 . 1 . . . . . . . . 5850 1 1348 . 1 1 134 134 LYS HA H 1 4.187 0.012 . 1 . . . . . . . . 5850 1 1349 . 1 1 134 134 LYS HB2 H 1 1.980 0.037 . 2 . . . . . . . . 5850 1 1350 . 1 1 134 134 LYS HB3 H 1 2.030 0.003 . 2 . . . . . . . . 5850 1 1351 . 1 1 134 134 LYS HD2 H 1 1.769 0.019 . 2 . . . . . . . . 5850 1 1352 . 1 1 134 134 LYS HE2 H 1 3.068 0.014 . 2 . . . . . . . . 5850 1 1353 . 1 1 134 134 LYS HG2 H 1 1.602 0.010 . 2 . . . . . . . . 5850 1 1354 . 1 1 134 134 LYS H H 1 8.064 0.017 . 1 . . . . . . . . 5850 1 1355 . 1 1 134 134 LYS N N 15 119.236 0.062 . 1 . . . . . . . . 5850 1 1356 . 1 1 135 135 GLU CA C 13 54.479 0.078 . 1 . . . . . . . . 5850 1 1357 . 1 1 135 135 GLU CB C 13 29.087 0.119 . 1 . . . . . . . . 5850 1 1358 . 1 1 135 135 GLU CG C 13 33.855 0.029 . 1 . . . . . . . . 5850 1 1359 . 1 1 135 135 GLU HA H 1 4.690 0.008 . 1 . . . . . . . . 5850 1 1360 . 1 1 135 135 GLU HB2 H 1 1.688 0.011 . 2 . . . . . . . . 5850 1 1361 . 1 1 135 135 GLU HB3 H 1 1.909 0.008 . 2 . . . . . . . . 5850 1 1362 . 1 1 135 135 GLU HG2 H 1 1.919 0.012 . 2 . . . . . . . . 5850 1 1363 . 1 1 135 135 GLU H H 1 7.255 0.013 . 1 . . . . . . . . 5850 1 1364 . 1 1 135 135 GLU N N 15 116.605 0.045 . 1 . . . . . . . . 5850 1 1365 . 1 1 136 136 MET CA C 13 58.465 0.099 . 1 . . . . . . . . 5850 1 1366 . 1 1 136 136 MET CB C 13 29.331 0.093 . 1 . . . . . . . . 5850 1 1367 . 1 1 136 136 MET CE C 13 17.664 0.039 . 1 . . . . . . . . 5850 1 1368 . 1 1 136 136 MET CG C 13 28.939 0.095 . 1 . . . . . . . . 5850 1 1369 . 1 1 136 136 MET HA H 1 4.857 0.020 . 1 . . . . . . . . 5850 1 1370 . 1 1 136 136 MET HE1 H 1 2.238 0.003 . 1 . . . . . . . . 5850 1 1371 . 1 1 136 136 MET HE2 H 1 2.238 0.003 . 1 . . . . . . . . 5850 1 1372 . 1 1 136 136 MET HE3 H 1 2.238 0.003 . 1 . . . . . . . . 5850 1 1373 . 1 1 136 136 MET HG2 H 1 2.446 0.012 . 2 . . . . . . . . 5850 1 1374 . 1 1 136 136 MET HG3 H 1 2.348 0.000 . 2 . . . . . . . . 5850 1 1375 . 1 1 136 136 MET H H 1 7.789 0.009 . 1 . . . . . . . . 5850 1 1376 . 1 1 136 136 MET N N 15 119.904 0.073 . 1 . . . . . . . . 5850 1 1377 . 1 1 137 137 LYS CA C 13 62.313 0.058 . 1 . . . . . . . . 5850 1 1378 . 1 1 137 137 LYS CB C 13 29.220 0.081 . 1 . . . . . . . . 5850 1 1379 . 1 1 137 137 LYS CG C 13 26.430 0.070 . 1 . . . . . . . . 5850 1 1380 . 1 1 137 137 LYS HA H 1 4.292 0.015 . 1 . . . . . . . . 5850 1 1381 . 1 1 137 137 LYS HB2 H 1 2.099 0.006 . 2 . . . . . . . . 5850 1 1382 . 1 1 137 137 LYS HB3 H 1 1.983 0.003 . 2 . . . . . . . . 5850 1 1383 . 1 1 137 137 LYS HG2 H 1 1.532 0.006 . 2 . . . . . . . . 5850 1 1384 . 1 1 137 137 LYS HG3 H 1 1.495 0.011 . 2 . . . . . . . . 5850 1 1385 . 1 1 137 137 LYS H H 1 9.443 0.006 . 1 . . . . . . . . 5850 1 1386 . 1 1 137 137 LYS N N 15 118.079 0.059 . 1 . . . . . . . . 5850 1 1387 . 1 1 138 138 PRO CA C 13 66.750 0.130 . 1 . . . . . . . . 5850 1 1388 . 1 1 138 138 PRO CB C 13 30.902 0.129 . 1 . . . . . . . . 5850 1 1389 . 1 1 138 138 PRO CD C 13 50.017 0.095 . 1 . . . . . . . . 5850 1 1390 . 1 1 138 138 PRO CG C 13 27.986 0.086 . 1 . . . . . . . . 5850 1 1391 . 1 1 138 138 PRO HA H 1 4.329 0.009 . 1 . . . . . . . . 5850 1 1392 . 1 1 138 138 PRO HB2 H 1 2.023 0.000 . 2 . . . . . . . . 5850 1 1393 . 1 1 138 138 PRO HB3 H 1 2.363 0.015 . 2 . . . . . . . . 5850 1 1394 . 1 1 138 138 PRO HD2 H 1 3.734 0.018 . 2 . . . . . . . . 5850 1 1395 . 1 1 138 138 PRO HG2 H 1 2.023 0.020 . 2 . . . . . . . . 5850 1 1396 . 1 1 138 138 PRO HG3 H 1 2.323 0.004 . 2 . . . . . . . . 5850 1 1397 . 1 1 139 139 PHE CA C 13 62.159 0.175 . 1 . . . . . . . . 5850 1 1398 . 1 1 139 139 PHE CB C 13 39.260 0.180 . 1 . . . . . . . . 5850 1 1399 . 1 1 139 139 PHE CZ C 13 129.660 0.183 . 1 . . . . . . . . 5850 1 1400 . 1 1 139 139 PHE HA H 1 4.361 0.011 . 1 . . . . . . . . 5850 1 1401 . 1 1 139 139 PHE HB2 H 1 3.471 0.015 . 2 . . . . . . . . 5850 1 1402 . 1 1 139 139 PHE HB3 H 1 3.636 0.017 . 2 . . . . . . . . 5850 1 1403 . 1 1 139 139 PHE HD2 H 1 7.735 0.019 . 3 . . . . . . . . 5850 1 1404 . 1 1 139 139 PHE HE2 H 1 7.011 0.045 . 3 . . . . . . . . 5850 1 1405 . 1 1 139 139 PHE H H 1 8.455 0.008 . 1 . . . . . . . . 5850 1 1406 . 1 1 139 139 PHE HZ H 1 6.669 0.009 . 1 . . . . . . . . 5850 1 1407 . 1 1 139 139 PHE N N 15 119.220 0.069 . 1 . . . . . . . . 5850 1 1408 . 1 1 140 140 LEU CA C 13 58.073 0.100 . 1 . . . . . . . . 5850 1 1409 . 1 1 140 140 LEU CB C 13 42.752 0.083 . 1 . . . . . . . . 5850 1 1410 . 1 1 140 140 LEU CD1 C 13 23.440 0.232 . 2 . . . . . . . . 5850 1 1411 . 1 1 140 140 LEU CD2 C 13 27.278 0.053 . 2 . . . . . . . . 5850 1 1412 . 1 1 140 140 LEU CG C 13 26.773 0.067 . 1 . . . . . . . . 5850 1 1413 . 1 1 140 140 LEU HA H 1 3.890 0.010 . 1 . . . . . . . . 5850 1 1414 . 1 1 140 140 LEU HB2 H 1 1.444 0.012 . 2 . . . . . . . . 5850 1 1415 . 1 1 140 140 LEU HB3 H 1 2.150 0.011 . 2 . . . . . . . . 5850 1 1416 . 1 1 140 140 LEU HD11 H 1 1.091 0.026 . 2 . . . . . . . . 5850 1 1417 . 1 1 140 140 LEU HD12 H 1 1.091 0.026 . 2 . . . . . . . . 5850 1 1418 . 1 1 140 140 LEU HD13 H 1 1.091 0.026 . 2 . . . . . . . . 5850 1 1419 . 1 1 140 140 LEU HD21 H 1 1.048 0.010 . 2 . . . . . . . . 5850 1 1420 . 1 1 140 140 LEU HD22 H 1 1.048 0.010 . 2 . . . . . . . . 5850 1 1421 . 1 1 140 140 LEU HD23 H 1 1.048 0.010 . 2 . . . . . . . . 5850 1 1422 . 1 1 140 140 LEU HG H 1 2.586 0.022 . 1 . . . . . . . . 5850 1 1423 . 1 1 140 140 LEU H H 1 8.858 0.008 . 1 . . . . . . . . 5850 1 1424 . 1 1 140 140 LEU N N 15 119.490 0.073 . 1 . . . . . . . . 5850 1 1425 . 1 1 141 141 THR CA C 13 66.088 0.143 . 1 . . . . . . . . 5850 1 1426 . 1 1 141 141 THR CB C 13 69.058 0.124 . 1 . . . . . . . . 5850 1 1427 . 1 1 141 141 THR CG2 C 13 21.273 0.042 . 1 . . . . . . . . 5850 1 1428 . 1 1 141 141 THR HA H 1 4.031 0.023 . 1 . . . . . . . . 5850 1 1429 . 1 1 141 141 THR HB H 1 4.249 0.010 . 1 . . . . . . . . 5850 1 1430 . 1 1 141 141 THR HG21 H 1 1.263 0.007 . 1 . . . . . . . . 5850 1 1431 . 1 1 141 141 THR HG22 H 1 1.263 0.007 . 1 . . . . . . . . 5850 1 1432 . 1 1 141 141 THR HG23 H 1 1.263 0.007 . 1 . . . . . . . . 5850 1 1433 . 1 1 141 141 THR H H 1 8.479 0.009 . 1 . . . . . . . . 5850 1 1434 . 1 1 141 141 THR N N 15 114.626 0.088 . 1 . . . . . . . . 5850 1 1435 . 1 1 142 142 GLU CA C 13 58.673 0.103 . 1 . . . . . . . . 5850 1 1436 . 1 1 142 142 GLU CB C 13 28.885 0.217 . 1 . . . . . . . . 5850 1 1437 . 1 1 142 142 GLU CG C 13 34.517 0.194 . 1 . . . . . . . . 5850 1 1438 . 1 1 142 142 GLU HA H 1 3.939 0.009 . 1 . . . . . . . . 5850 1 1439 . 1 1 142 142 GLU HB2 H 1 1.645 0.010 . 2 . . . . . . . . 5850 1 1440 . 1 1 142 142 GLU HB3 H 1 2.014 0.046 . 2 . . . . . . . . 5850 1 1441 . 1 1 142 142 GLU HG2 H 1 1.835 0.015 . 2 . . . . . . . . 5850 1 1442 . 1 1 142 142 GLU HG3 H 1 1.896 0.014 . 2 . . . . . . . . 5850 1 1443 . 1 1 142 142 GLU H H 1 8.666 0.010 . 1 . . . . . . . . 5850 1 1444 . 1 1 142 142 GLU N N 15 123.950 0.098 . 1 . . . . . . . . 5850 1 1445 . 1 1 143 143 HIS CA C 13 55.885 0.110 . 1 . . . . . . . . 5850 1 1446 . 1 1 143 143 HIS CB C 13 28.919 0.117 . 1 . . . . . . . . 5850 1 1447 . 1 1 143 143 HIS CD2 C 13 121.204 0.128 . 2 . . . . . . . . 5850 1 1448 . 1 1 143 143 HIS CE1 C 13 138.264 0.181 . 2 . . . . . . . . 5850 1 1449 . 1 1 143 143 HIS HA H 1 4.682 0.014 . 1 . . . . . . . . 5850 1 1450 . 1 1 143 143 HIS HB2 H 1 2.235 0.014 . 2 . . . . . . . . 5850 1 1451 . 1 1 143 143 HIS HB3 H 1 3.327 0.012 . 2 . . . . . . . . 5850 1 1452 . 1 1 143 143 HIS HD2 H 1 6.532 0.052 . 2 . . . . . . . . 5850 1 1453 . 1 1 143 143 HIS HE2 H 1 8.378 0.017 . 2 . . . . . . . . 5850 1 1454 . 1 1 143 143 HIS H H 1 6.880 0.023 . 1 . . . . . . . . 5850 1 1455 . 1 1 143 143 HIS N N 15 111.279 0.109 . 1 . . . . . . . . 5850 1 1456 . 1 1 144 144 GLY CA C 13 47.085 0.101 . 1 . . . . . . . . 5850 1 1457 . 1 1 144 144 GLY HA2 H 1 4.040 0.047 . 2 . . . . . . . . 5850 1 1458 . 1 1 144 144 GLY HA3 H 1 3.991 0.038 . 2 . . . . . . . . 5850 1 1459 . 1 1 144 144 GLY H H 1 7.703 0.010 . 1 . . . . . . . . 5850 1 1460 . 1 1 144 144 GLY N N 15 108.221 0.064 . 1 . . . . . . . . 5850 1 1461 . 1 1 145 145 LEU CA C 13 56.100 0.242 . 1 . . . . . . . . 5850 1 1462 . 1 1 145 145 LEU CB C 13 43.098 0.084 . 1 . . . . . . . . 5850 1 1463 . 1 1 145 145 LEU CD1 C 13 23.285 0.124 . 2 . . . . . . . . 5850 1 1464 . 1 1 145 145 LEU CD2 C 13 26.370 0.064 . 2 . . . . . . . . 5850 1 1465 . 1 1 145 145 LEU CG C 13 26.393 0.000 . 1 . . . . . . . . 5850 1 1466 . 1 1 145 145 LEU HA H 1 4.179 0.014 . 1 . . . . . . . . 5850 1 1467 . 1 1 145 145 LEU HB2 H 1 1.623 0.022 . 2 . . . . . . . . 5850 1 1468 . 1 1 145 145 LEU HB3 H 1 1.884 0.011 . 2 . . . . . . . . 5850 1 1469 . 1 1 145 145 LEU HD11 H 1 0.828 0.013 . 2 . . . . . . . . 5850 1 1470 . 1 1 145 145 LEU HD12 H 1 0.828 0.013 . 2 . . . . . . . . 5850 1 1471 . 1 1 145 145 LEU HD13 H 1 0.828 0.013 . 2 . . . . . . . . 5850 1 1472 . 1 1 145 145 LEU HD21 H 1 0.872 0.015 . 2 . . . . . . . . 5850 1 1473 . 1 1 145 145 LEU HD22 H 1 0.872 0.015 . 2 . . . . . . . . 5850 1 1474 . 1 1 145 145 LEU HD23 H 1 0.872 0.015 . 2 . . . . . . . . 5850 1 1475 . 1 1 145 145 LEU HG H 1 1.570 0.016 . 2 . . . . . . . . 5850 1 1476 . 1 1 145 145 LEU H H 1 8.265 0.011 . 1 . . . . . . . . 5850 1 1477 . 1 1 145 145 LEU N N 15 118.673 0.065 . 1 . . . . . . . . 5850 1 1478 . 1 1 146 146 ILE CA C 13 61.506 0.181 . 1 . . . . . . . . 5850 1 1479 . 1 1 146 146 ILE CB C 13 40.901 0.064 . 1 . . . . . . . . 5850 1 1480 . 1 1 146 146 ILE CD1 C 13 13.647 0.258 . 2 . . . . . . . . 5850 1 1481 . 1 1 146 146 ILE CG2 C 13 18.590 0.055 . 2 . . . . . . . . 5850 1 1482 . 1 1 146 146 ILE HA H 1 4.195 0.011 . 1 . . . . . . . . 5850 1 1483 . 1 1 146 146 ILE HB H 1 1.905 0.010 . 1 . . . . . . . . 5850 1 1484 . 1 1 146 146 ILE HD11 H 1 0.877 0.008 . 1 . . . . . . . . 5850 1 1485 . 1 1 146 146 ILE HD12 H 1 0.877 0.008 . 1 . . . . . . . . 5850 1 1486 . 1 1 146 146 ILE HD13 H 1 0.877 0.008 . 1 . . . . . . . . 5850 1 1487 . 1 1 146 146 ILE HG12 H 1 1.339 0.022 . 2 . . . . . . . . 5850 1 1488 . 1 1 146 146 ILE HG21 H 1 0.868 0.011 . 1 . . . . . . . . 5850 1 1489 . 1 1 146 146 ILE HG22 H 1 0.868 0.011 . 1 . . . . . . . . 5850 1 1490 . 1 1 146 146 ILE HG23 H 1 0.868 0.011 . 1 . . . . . . . . 5850 1 1491 . 1 1 146 146 ILE H H 1 6.987 0.010 . 1 . . . . . . . . 5850 1 1492 . 1 1 146 146 ILE N N 15 116.669 0.045 . 1 . . . . . . . . 5850 1 stop_ save_