data_17293 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17293 _Entry.Title ; Solution structure of human J-protein co-chaperone Dph4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-11 _Entry.Accession_date 2010-11-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anushikha Thakur . . . 17293 2 Balasubramanyam Chitoor . S. . 17293 3 Hanudatta Atreya . S. . 17293 4 Patrick Silva . D. . 17293 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17293 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Dph4 . 17293 J-domain . 17293 Zn-CSL . 17293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 17293 '15N chemical shifts' 135 17293 '1H chemical shifts' 932 17293 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-14 2010-11-11 update BMRB 'update entry citation' 17293 1 . . 2012-01-09 2010-11-11 original author 'original release' 17293 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17293 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22367199 _Citation.Full_citation . _Citation.Title 'Structure and mechanistic insights into novel iron-mediated moonlighting functions of human J-protein cochaperone, Dph4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 16 _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 13194 _Citation.Page_last 13205 _Citation.Year 2012 _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 Anushikha Thakur . . . 17293 1 2 Balasubramanyam Chitoor . . . 17293 1 3 Arvind Goswami . V. . 17293 1 4 Gautam Pareek . . . 17293 1 5 Hanudatta Atreya . S. . 17293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17293 _Assembly.ID 1 _Assembly.Name Zn-Dph4 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Dph4 1 $Dph4_polypeptide A . yes native yes no . . . 17293 1 2 Zn 2 $ZN A . no native no no . . . 17293 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 115 115 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 17293 1 2 coordination single . 1 . 1 CYS 117 117 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 17293 1 3 coordination single . 1 . 1 CYS 136 136 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 17293 1 4 coordination single . 1 . 1 CYS 139 139 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 17293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dph4_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Dph4_polypeptide _Entity.Entry_ID 17293 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dph4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MMAVEQMPKKDWYSILGADP SANISDLKQKYQKLILMYHP DKQSTDVPAGTVEECVQKFI EIDQAWKILGNEETKREYDL QRCEDDLRNVGPVDAQVYLE EMSWNEGDHSFYLSCRCGGK YSVSKDEAEEVSLISCDTCS LIIELLHYNHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6L . "Solution Structure Of Human J-Protein Co-Chaperone, Dph4" . . . . . 100.00 155 100.00 100.00 8.69e-111 . . . . 17293 1 2 no DBJ BAF82354 . "unnamed protein product [Homo sapiens]" . . . . . 95.48 148 100.00 100.00 2.07e-104 . . . . 17293 1 3 no GB AAH36571 . "DNAJC24 protein [Homo sapiens]" . . . . . 52.90 84 100.00 100.00 4.01e-52 . . . . 17293 1 4 no GB AAH63804 . "DNAJC24 protein [Homo sapiens]" . . . . . 95.48 148 100.00 100.00 2.07e-104 . . . . 17293 1 5 no GB AIC62319 . "DNAJC24, partial [synthetic construct]" . . . . . 95.48 148 100.00 100.00 2.07e-104 . . . . 17293 1 6 no GB EAW68242 . "zinc finger, CSL-type containing 3, isoform CRA_b [Homo sapiens]" . . . . . 53.55 88 100.00 100.00 1.85e-52 . . . . 17293 1 7 no GB EAW68243 . "zinc finger, CSL-type containing 3, isoform CRA_c [Homo sapiens]" . . . . . 53.55 85 100.00 100.00 5.77e-53 . . . . 17293 1 8 no REF NP_859057 . "dnaJ homolog subfamily C member 24 [Homo sapiens]" . . . . . 96.13 149 100.00 100.00 2.71e-105 . . . . 17293 1 9 no REF XP_001141859 . "PREDICTED: dnaJ homolog subfamily C member 24 isoform X1 [Pan troglodytes]" . . . . . 96.13 149 100.00 100.00 2.71e-105 . . . . 17293 1 10 no REF XP_003254415 . "PREDICTED: dnaJ homolog subfamily C member 24 isoform X1 [Nomascus leucogenys]" . . . . . 95.48 148 98.65 98.65 8.05e-102 . . . . 17293 1 11 no REF XP_003830465 . "PREDICTED: dnaJ homolog subfamily C member 24 [Pan paniscus]" . . . . . 96.13 149 100.00 100.00 2.71e-105 . . . . 17293 1 12 no REF XP_009244778 . "PREDICTED: dnaJ homolog subfamily C member 24 [Pongo abelii]" . . . . . 96.13 149 100.00 100.00 2.71e-105 . . . . 17293 1 13 no SP Q6P3W2 . "RecName: Full=DnaJ homolog subfamily C member 24; AltName: Full=CSL-type zinc finger-containing protein 3; AltName: Full=Diphth" . . . . . 95.48 148 100.00 100.00 2.07e-104 . . . . 17293 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17293 1 2 . MET . 17293 1 3 . ALA . 17293 1 4 . VAL . 17293 1 5 . GLU . 17293 1 6 . GLN . 17293 1 7 . MET . 17293 1 8 . PRO . 17293 1 9 . LYS . 17293 1 10 . LYS . 17293 1 11 . ASP . 17293 1 12 . TRP . 17293 1 13 . TYR . 17293 1 14 . SER . 17293 1 15 . ILE . 17293 1 16 . LEU . 17293 1 17 . GLY . 17293 1 18 . ALA . 17293 1 19 . ASP . 17293 1 20 . PRO . 17293 1 21 . SER . 17293 1 22 . ALA . 17293 1 23 . ASN . 17293 1 24 . ILE . 17293 1 25 . SER . 17293 1 26 . ASP . 17293 1 27 . LEU . 17293 1 28 . LYS . 17293 1 29 . GLN . 17293 1 30 . LYS . 17293 1 31 . TYR . 17293 1 32 . GLN . 17293 1 33 . LYS . 17293 1 34 . LEU . 17293 1 35 . ILE . 17293 1 36 . LEU . 17293 1 37 . MET . 17293 1 38 . TYR . 17293 1 39 . HIS . 17293 1 40 . PRO . 17293 1 41 . ASP . 17293 1 42 . LYS . 17293 1 43 . GLN . 17293 1 44 . SER . 17293 1 45 . THR . 17293 1 46 . ASP . 17293 1 47 . VAL . 17293 1 48 . PRO . 17293 1 49 . ALA . 17293 1 50 . GLY . 17293 1 51 . THR . 17293 1 52 . VAL . 17293 1 53 . GLU . 17293 1 54 . GLU . 17293 1 55 . CYS . 17293 1 56 . VAL . 17293 1 57 . GLN . 17293 1 58 . LYS . 17293 1 59 . PHE . 17293 1 60 . ILE . 17293 1 61 . GLU . 17293 1 62 . ILE . 17293 1 63 . ASP . 17293 1 64 . GLN . 17293 1 65 . ALA . 17293 1 66 . TRP . 17293 1 67 . LYS . 17293 1 68 . ILE . 17293 1 69 . LEU . 17293 1 70 . GLY . 17293 1 71 . ASN . 17293 1 72 . GLU . 17293 1 73 . GLU . 17293 1 74 . THR . 17293 1 75 . LYS . 17293 1 76 . ARG . 17293 1 77 . GLU . 17293 1 78 . TYR . 17293 1 79 . ASP . 17293 1 80 . LEU . 17293 1 81 . GLN . 17293 1 82 . ARG . 17293 1 83 . CYS . 17293 1 84 . GLU . 17293 1 85 . ASP . 17293 1 86 . ASP . 17293 1 87 . LEU . 17293 1 88 . ARG . 17293 1 89 . ASN . 17293 1 90 . VAL . 17293 1 91 . GLY . 17293 1 92 . PRO . 17293 1 93 . VAL . 17293 1 94 . ASP . 17293 1 95 . ALA . 17293 1 96 . GLN . 17293 1 97 . VAL . 17293 1 98 . TYR . 17293 1 99 . LEU . 17293 1 100 . GLU . 17293 1 101 . GLU . 17293 1 102 . MET . 17293 1 103 . SER . 17293 1 104 . TRP . 17293 1 105 . ASN . 17293 1 106 . GLU . 17293 1 107 . GLY . 17293 1 108 . ASP . 17293 1 109 . HIS . 17293 1 110 . SER . 17293 1 111 . PHE . 17293 1 112 . TYR . 17293 1 113 . LEU . 17293 1 114 . SER . 17293 1 115 . CYS . 17293 1 116 . ARG . 17293 1 117 . CYS . 17293 1 118 . GLY . 17293 1 119 . GLY . 17293 1 120 . LYS . 17293 1 121 . TYR . 17293 1 122 . SER . 17293 1 123 . VAL . 17293 1 124 . SER . 17293 1 125 . LYS . 17293 1 126 . ASP . 17293 1 127 . GLU . 17293 1 128 . ALA . 17293 1 129 . GLU . 17293 1 130 . GLU . 17293 1 131 . VAL . 17293 1 132 . SER . 17293 1 133 . LEU . 17293 1 134 . ILE . 17293 1 135 . SER . 17293 1 136 . CYS . 17293 1 137 . ASP . 17293 1 138 . THR . 17293 1 139 . CYS . 17293 1 140 . SER . 17293 1 141 . LEU . 17293 1 142 . ILE . 17293 1 143 . ILE . 17293 1 144 . GLU . 17293 1 145 . LEU . 17293 1 146 . LEU . 17293 1 147 . HIS . 17293 1 148 . TYR . 17293 1 149 . ASN . 17293 1 150 . HIS . 17293 1 151 . HIS . 17293 1 152 . HIS . 17293 1 153 . HIS . 17293 1 154 . HIS . 17293 1 155 . HIS . 17293 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17293 1 . MET 2 2 17293 1 . ALA 3 3 17293 1 . VAL 4 4 17293 1 . GLU 5 5 17293 1 . GLN 6 6 17293 1 . MET 7 7 17293 1 . PRO 8 8 17293 1 . LYS 9 9 17293 1 . LYS 10 10 17293 1 . ASP 11 11 17293 1 . TRP 12 12 17293 1 . TYR 13 13 17293 1 . SER 14 14 17293 1 . ILE 15 15 17293 1 . LEU 16 16 17293 1 . GLY 17 17 17293 1 . ALA 18 18 17293 1 . ASP 19 19 17293 1 . PRO 20 20 17293 1 . SER 21 21 17293 1 . ALA 22 22 17293 1 . ASN 23 23 17293 1 . ILE 24 24 17293 1 . SER 25 25 17293 1 . ASP 26 26 17293 1 . LEU 27 27 17293 1 . LYS 28 28 17293 1 . GLN 29 29 17293 1 . LYS 30 30 17293 1 . TYR 31 31 17293 1 . GLN 32 32 17293 1 . LYS 33 33 17293 1 . LEU 34 34 17293 1 . ILE 35 35 17293 1 . LEU 36 36 17293 1 . MET 37 37 17293 1 . TYR 38 38 17293 1 . HIS 39 39 17293 1 . PRO 40 40 17293 1 . ASP 41 41 17293 1 . LYS 42 42 17293 1 . GLN 43 43 17293 1 . SER 44 44 17293 1 . THR 45 45 17293 1 . ASP 46 46 17293 1 . VAL 47 47 17293 1 . PRO 48 48 17293 1 . ALA 49 49 17293 1 . GLY 50 50 17293 1 . THR 51 51 17293 1 . VAL 52 52 17293 1 . GLU 53 53 17293 1 . GLU 54 54 17293 1 . CYS 55 55 17293 1 . VAL 56 56 17293 1 . GLN 57 57 17293 1 . LYS 58 58 17293 1 . PHE 59 59 17293 1 . ILE 60 60 17293 1 . GLU 61 61 17293 1 . ILE 62 62 17293 1 . ASP 63 63 17293 1 . GLN 64 64 17293 1 . ALA 65 65 17293 1 . TRP 66 66 17293 1 . LYS 67 67 17293 1 . ILE 68 68 17293 1 . LEU 69 69 17293 1 . GLY 70 70 17293 1 . ASN 71 71 17293 1 . GLU 72 72 17293 1 . GLU 73 73 17293 1 . THR 74 74 17293 1 . LYS 75 75 17293 1 . ARG 76 76 17293 1 . GLU 77 77 17293 1 . TYR 78 78 17293 1 . ASP 79 79 17293 1 . LEU 80 80 17293 1 . GLN 81 81 17293 1 . ARG 82 82 17293 1 . CYS 83 83 17293 1 . GLU 84 84 17293 1 . ASP 85 85 17293 1 . ASP 86 86 17293 1 . LEU 87 87 17293 1 . ARG 88 88 17293 1 . ASN 89 89 17293 1 . VAL 90 90 17293 1 . GLY 91 91 17293 1 . PRO 92 92 17293 1 . VAL 93 93 17293 1 . ASP 94 94 17293 1 . ALA 95 95 17293 1 . GLN 96 96 17293 1 . VAL 97 97 17293 1 . TYR 98 98 17293 1 . LEU 99 99 17293 1 . GLU 100 100 17293 1 . GLU 101 101 17293 1 . MET 102 102 17293 1 . SER 103 103 17293 1 . TRP 104 104 17293 1 . ASN 105 105 17293 1 . GLU 106 106 17293 1 . GLY 107 107 17293 1 . ASP 108 108 17293 1 . HIS 109 109 17293 1 . SER 110 110 17293 1 . PHE 111 111 17293 1 . TYR 112 112 17293 1 . LEU 113 113 17293 1 . SER 114 114 17293 1 . CYS 115 115 17293 1 . ARG 116 116 17293 1 . CYS 117 117 17293 1 . GLY 118 118 17293 1 . GLY 119 119 17293 1 . LYS 120 120 17293 1 . TYR 121 121 17293 1 . SER 122 122 17293 1 . VAL 123 123 17293 1 . SER 124 124 17293 1 . LYS 125 125 17293 1 . ASP 126 126 17293 1 . GLU 127 127 17293 1 . ALA 128 128 17293 1 . GLU 129 129 17293 1 . GLU 130 130 17293 1 . VAL 131 131 17293 1 . SER 132 132 17293 1 . LEU 133 133 17293 1 . ILE 134 134 17293 1 . SER 135 135 17293 1 . CYS 136 136 17293 1 . ASP 137 137 17293 1 . THR 138 138 17293 1 . CYS 139 139 17293 1 . SER 140 140 17293 1 . LEU 141 141 17293 1 . ILE 142 142 17293 1 . ILE 143 143 17293 1 . GLU 144 144 17293 1 . LEU 145 145 17293 1 . LEU 146 146 17293 1 . HIS 147 147 17293 1 . TYR 148 148 17293 1 . ASN 149 149 17293 1 . HIS 150 150 17293 1 . HIS 151 151 17293 1 . HIS 152 152 17293 1 . HIS 153 153 17293 1 . HIS 154 154 17293 1 . HIS 155 155 17293 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17293 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 17293 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17293 _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 $Dph4_polypeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17293 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 17293 _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 $Dph4_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3A . . . . . . 17293 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17293 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17293 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17293 ZN [Zn++] SMILES CACTVS 3.341 17293 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17293 ZN [Zn+2] SMILES ACDLabs 10.04 17293 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17293 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17293 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17293 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17293 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17293 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17293 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dph4 polypeptide' '[U-13C; U-15N]' . . 1 $Dph4_polypeptide . . 1 . . mM . . . . 17293 1 2 Zn 'natural abundance' . . 2 $ZN . . 1 . . mM . . . . 17293 1 3 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 17293 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17293 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17293 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17293 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17293 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dph4 polypeptide' 'natural abundance' . . 1 $Dph4_polypeptide . . 1 . . mM . . . . 17293 2 2 Zn 'natural abundance' . . 2 $ZN . . 1 . . mM . . . . 17293 2 3 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 17293 2 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17293 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17293 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17293 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 17293 1 pressure 1 . atm 17293 1 temperature 298 . K 17293 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17293 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17293 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17293 1 'peak picking' 17293 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17293 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17293 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17293 2 processing 17293 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17293 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17293 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17293 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17293 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17293 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17293 4 'structure solution' 17293 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17293 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17293 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17293 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17293 1 2 spectrometer_2 Bruker Avance . 500 . . . 17293 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 17293 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17293 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 8 '3D H(CCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 10 '3D (H)C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 12 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 13 'GFT (3,2)D HA(CA)CO(N)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 14 'GFT (4,3)D NOESY-HCCH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17293 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17293 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17293 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17293 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17293 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17293 1 3 '2D 1H-13C HSQC' . . . 17293 1 4 '3D HNCACB' . . . 17293 1 5 '3D CBCA(CO)NH' . . . 17293 1 6 '3D 1H-13C NOESY' . . . 17293 1 7 '3D 1H-15N NOESY' . . . 17293 1 8 '3D H(CCO)NH-TOCSY' . . . 17293 1 10 '3D (H)C(CO)NH-TOCSY' . . . 17293 1 11 '3D HNCO' . . . 17293 1 12 '3D HBHA(CBCACO)NH' . . . 17293 1 13 'GFT (3,2)D HA(CA)CO(N)H' . . . 17293 1 14 'GFT (4,3)D NOESY-HCCH' . . . 17293 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HB2 H 1 2.464 0.007 . 2 . . . . 2 MET HB2 . 17293 1 2 . 1 1 2 2 MET HB3 H 1 2.454 0.007 . 2 . . . . 2 MET HB3 . 17293 1 3 . 1 1 2 2 MET HG2 H 1 1.913 0.007 . 2 . . . . 2 MET HG2 . 17293 1 4 . 1 1 2 2 MET HG3 H 1 1.906 0.007 . 2 . . . . 2 MET HG3 . 17293 1 5 . 1 1 2 2 MET C C 13 175.464 0.01 . 1 . . . . 2 MET C . 17293 1 6 . 1 1 2 2 MET CA C 13 55.600 0.01 . 1 . . . . 2 MET CA . 17293 1 7 . 1 1 2 2 MET CB C 13 33.500 0.01 . 1 . . . . 2 MET CB . 17293 1 8 . 1 1 2 2 MET CG C 13 32.024 0.01 . 1 . . . . 2 MET CG . 17293 1 9 . 1 1 3 3 ALA H H 1 8.369 0.007 . 1 . . . . 3 ALA H . 17293 1 10 . 1 1 3 3 ALA HA H 1 4.252 0.007 . 1 . . . . 3 ALA HA . 17293 1 11 . 1 1 3 3 ALA HB1 H 1 1.292 0.007 . 1 . . . . 3 ALA QB . 17293 1 12 . 1 1 3 3 ALA HB2 H 1 1.292 0.007 . 1 . . . . 3 ALA QB . 17293 1 13 . 1 1 3 3 ALA HB3 H 1 1.292 0.007 . 1 . . . . 3 ALA QB . 17293 1 14 . 1 1 3 3 ALA C C 13 177.704 0.01 . 1 . . . . 3 ALA C . 17293 1 15 . 1 1 3 3 ALA CA C 13 52.835 0.01 . 1 . . . . 3 ALA CA . 17293 1 16 . 1 1 3 3 ALA CB C 13 19.667 0.01 . 1 . . . . 3 ALA CB . 17293 1 17 . 1 1 3 3 ALA N N 15 126.349 0.01 . 1 . . . . 3 ALA N . 17293 1 18 . 1 1 4 4 VAL H H 1 8.076 0.007 . 1 . . . . 4 VAL H . 17293 1 19 . 1 1 4 4 VAL HA H 1 3.960 0.007 . 1 . . . . 4 VAL HA . 17293 1 20 . 1 1 4 4 VAL HB H 1 1.963 0.007 . 1 . . . . 4 VAL HB . 17293 1 21 . 1 1 4 4 VAL HG11 H 1 0.840 0.007 . 2 . . . . 4 VAL QG1 . 17293 1 22 . 1 1 4 4 VAL HG12 H 1 0.840 0.007 . 2 . . . . 4 VAL QG1 . 17293 1 23 . 1 1 4 4 VAL HG13 H 1 0.840 0.007 . 2 . . . . 4 VAL QG1 . 17293 1 24 . 1 1 4 4 VAL HG21 H 1 0.824 0.007 . 2 . . . . 4 VAL QG2 . 17293 1 25 . 1 1 4 4 VAL HG22 H 1 0.824 0.007 . 2 . . . . 4 VAL QG2 . 17293 1 26 . 1 1 4 4 VAL HG23 H 1 0.824 0.007 . 2 . . . . 4 VAL QG2 . 17293 1 27 . 1 1 4 4 VAL C C 13 176.389 0.01 . 1 . . . . 4 VAL C . 17293 1 28 . 1 1 4 4 VAL CA C 13 63.277 0.01 . 1 . . . . 4 VAL CA . 17293 1 29 . 1 1 4 4 VAL CB C 13 33.180 0.01 . 1 . . . . 4 VAL CB . 17293 1 30 . 1 1 4 4 VAL CG1 C 13 20.896 0.01 . 1 . . . . 4 VAL CG1 . 17293 1 31 . 1 1 4 4 VAL N N 15 119.687 0.01 . 1 . . . . 4 VAL N . 17293 1 32 . 1 1 5 5 GLU H H 1 8.445 0.007 . 1 . . . . 5 GLU H . 17293 1 33 . 1 1 5 5 GLU HA H 1 4.160 0.007 . 1 . . . . 5 GLU HA . 17293 1 34 . 1 1 5 5 GLU HB2 H 1 1.921 0.007 . 2 . . . . 5 GLU HB2 . 17293 1 35 . 1 1 5 5 GLU HB3 H 1 1.866 0.007 . 2 . . . . 5 GLU HB3 . 17293 1 36 . 1 1 5 5 GLU HG2 H 1 2.155 0.007 . 1 . . . . 5 GLU HG2 . 17293 1 37 . 1 1 5 5 GLU HG3 H 1 2.155 0.007 . 1 . . . . 5 GLU HG3 . 17293 1 38 . 1 1 5 5 GLU C C 13 176.267 0.01 . 1 . . . . 5 GLU C . 17293 1 39 . 1 1 5 5 GLU CA C 13 57.000 0.01 . 1 . . . . 5 GLU CA . 17293 1 40 . 1 1 5 5 GLU CB C 13 30.300 0.01 . 1 . . . . 5 GLU CB . 17293 1 41 . 1 1 5 5 GLU CG C 13 36.390 0.01 . 1 . . . . 5 GLU CG . 17293 1 42 . 1 1 5 5 GLU N N 15 123.943 0.01 . 1 . . . . 5 GLU N . 17293 1 43 . 1 1 6 6 GLN H H 1 8.232 0.007 . 1 . . . . 6 GLN H . 17293 1 44 . 1 1 6 6 GLN HA H 1 4.269 0.007 . 1 . . . . 6 GLN HA . 17293 1 45 . 1 1 6 6 GLN HB2 H 1 1.903 0.007 . 2 . . . . 6 GLN HB2 . 17293 1 46 . 1 1 6 6 GLN HB3 H 1 1.876 0.007 . 2 . . . . 6 GLN HB3 . 17293 1 47 . 1 1 6 6 GLN HG2 H 1 2.034 0.007 . 2 . . . . 6 GLN HG2 . 17293 1 48 . 1 1 6 6 GLN HG3 H 1 2.026 0.007 . 2 . . . . 6 GLN HG3 . 17293 1 49 . 1 1 6 6 GLN C C 13 175.659 0.01 . 1 . . . . 6 GLN C . 17293 1 50 . 1 1 6 6 GLN CA C 13 55.700 0.01 . 1 . . . . 6 GLN CA . 17293 1 51 . 1 1 6 6 GLN CB C 13 29.800 0.01 . 1 . . . . 6 GLN CB . 17293 1 52 . 1 1 6 6 GLN CG C 13 34.097 0.01 . 1 . . . . 6 GLN CG . 17293 1 53 . 1 1 6 6 GLN N N 15 121.062 0.01 . 1 . . . . 6 GLN N . 17293 1 54 . 1 1 7 7 MET H H 1 8.256 0.007 . 1 . . . . 7 MET H . 17293 1 55 . 1 1 7 7 MET HA H 1 4.658 0.007 . 1 . . . . 7 MET HA . 17293 1 56 . 1 1 7 7 MET HB2 H 1 1.950 0.007 . 2 . . . . 7 MET HB2 . 17293 1 57 . 1 1 7 7 MET HB3 H 1 1.920 0.007 . 2 . . . . 7 MET HB3 . 17293 1 58 . 1 1 7 7 MET HG2 H 1 2.548 0.007 . 2 . . . . 7 MET HG2 . 17293 1 59 . 1 1 7 7 MET HG3 H 1 2.512 0.007 . 2 . . . . 7 MET HG3 . 17293 1 60 . 1 1 7 7 MET CA C 13 54.064 0.01 . 1 . . . . 7 MET CA . 17293 1 61 . 1 1 7 7 MET CB C 13 32.700 0.01 . 1 . . . . 7 MET CB . 17293 1 62 . 1 1 7 7 MET N N 15 122.914 0.01 . 1 . . . . 7 MET N . 17293 1 63 . 1 1 8 8 PRO HA H 1 4.651 0.007 . 1 . . . . 8 PRO HA . 17293 1 64 . 1 1 8 8 PRO HB2 H 1 1.942 0.007 . 2 . . . . 8 PRO HB2 . 17293 1 65 . 1 1 8 8 PRO HB3 H 1 1.933 0.007 . 2 . . . . 8 PRO HB3 . 17293 1 66 . 1 1 8 8 PRO HG2 H 1 1.879 0.007 . 2 . . . . 8 PRO HG2 . 17293 1 67 . 1 1 8 8 PRO HG3 H 1 1.872 0.007 . 2 . . . . 8 PRO HG3 . 17293 1 68 . 1 1 8 8 PRO HD2 H 1 3.755 0.007 . 2 . . . . 8 PRO HD2 . 17293 1 69 . 1 1 8 8 PRO HD3 H 1 3.594 0.007 . 2 . . . . 8 PRO HD3 . 17293 1 70 . 1 1 8 8 PRO C C 13 176.340 0.01 . 1 . . . . 8 PRO C . 17293 1 71 . 1 1 8 8 PRO CA C 13 63.200 0.01 . 1 . . . . 8 PRO CA . 17293 1 72 . 1 1 8 8 PRO CB C 13 32.300 0.01 . 1 . . . . 8 PRO CB . 17293 1 73 . 1 1 8 8 PRO CG C 13 27.872 0.01 . 1 . . . . 8 PRO CG . 17293 1 74 . 1 1 8 8 PRO CD C 13 51.213 0.01 . 1 . . . . 8 PRO CD . 17293 1 75 . 1 1 9 9 LYS H H 1 8.318 0.007 . 1 . . . . 9 LYS H . 17293 1 76 . 1 1 9 9 LYS HA H 1 4.177 0.007 . 1 . . . . 9 LYS HA . 17293 1 77 . 1 1 9 9 LYS HB2 H 1 1.669 0.007 . 2 . . . . 9 LYS HB2 . 17293 1 78 . 1 1 9 9 LYS HB3 H 1 1.616 0.007 . 2 . . . . 9 LYS HB3 . 17293 1 79 . 1 1 9 9 LYS HG2 H 1 1.370 0.007 . 2 . . . . 9 LYS HG2 . 17293 1 80 . 1 1 9 9 LYS HG3 H 1 1.312 0.007 . 2 . . . . 9 LYS HG3 . 17293 1 81 . 1 1 9 9 LYS HD2 H 1 1.601 0.007 . 2 . . . . 9 LYS HD2 . 17293 1 82 . 1 1 9 9 LYS HD3 H 1 1.589 0.007 . 2 . . . . 9 LYS HD3 . 17293 1 83 . 1 1 9 9 LYS HE2 H 1 2.895 0.007 . 2 . . . . 9 LYS HE2 . 17293 1 84 . 1 1 9 9 LYS HE3 H 1 2.891 0.007 . 2 . . . . 9 LYS HE3 . 17293 1 85 . 1 1 9 9 LYS C C 13 176.194 0.01 . 1 . . . . 9 LYS C . 17293 1 86 . 1 1 9 9 LYS CA C 13 56.300 0.01 . 1 . . . . 9 LYS CA . 17293 1 87 . 1 1 9 9 LYS CB C 13 33.180 0.01 . 1 . . . . 9 LYS CB . 17293 1 88 . 1 1 9 9 LYS CG C 13 24.924 0.01 . 1 . . . . 9 LYS CG . 17293 1 89 . 1 1 9 9 LYS CD C 13 29.428 0.01 . 1 . . . . 9 LYS CD . 17293 1 90 . 1 1 9 9 LYS CE C 13 42.286 0.01 . 1 . . . . 9 LYS CE . 17293 1 91 . 1 1 9 9 LYS N N 15 121.979 0.01 . 1 . . . . 9 LYS N . 17293 1 92 . 1 1 10 10 LYS H H 1 7.451 0.007 . 1 . . . . 10 LYS H . 17293 1 93 . 1 1 10 10 LYS HA H 1 3.898 0.007 . 1 . . . . 10 LYS HA . 17293 1 94 . 1 1 10 10 LYS HB2 H 1 0.666 0.007 . 2 . . . . 10 LYS HB2 . 17293 1 95 . 1 1 10 10 LYS HB3 H 1 0.332 0.007 . 2 . . . . 10 LYS HB3 . 17293 1 96 . 1 1 10 10 LYS HG2 H 1 0.892 0.007 . 2 . . . . 10 LYS HG2 . 17293 1 97 . 1 1 10 10 LYS HG3 H 1 0.869 0.007 . 2 . . . . 10 LYS HG3 . 17293 1 98 . 1 1 10 10 LYS HD2 H 1 1.310 0.007 . 2 . . . . 10 LYS HD2 . 17293 1 99 . 1 1 10 10 LYS HD3 H 1 1.294 0.007 . 2 . . . . 10 LYS HD3 . 17293 1 100 . 1 1 10 10 LYS CA C 13 55.292 0.01 . 1 . . . . 10 LYS CA . 17293 1 101 . 1 1 10 10 LYS CB C 13 33.794 0.01 . 1 . . . . 10 LYS CB . 17293 1 102 . 1 1 10 10 LYS N N 15 122.615 0.01 . 1 . . . . 10 LYS N . 17293 1 103 . 1 1 11 11 ASP H H 1 8.170 0.007 . 1 . . . . 11 ASP H . 17293 1 104 . 1 1 12 12 TRP H H 1 6.875 0.007 . 1 . . . . 12 TRP H . 17293 1 105 . 1 1 12 12 TRP HE1 H 1 10.127 0.007 . 1 . . . . 12 TRP HE1 . 17293 1 106 . 1 1 12 12 TRP NE1 N 15 130.125 0.01 . 1 . . . . 12 TRP NE1 . 17293 1 107 . 1 1 13 13 TYR H H 1 7.062 0.007 . 1 . . . . 13 TYR H . 17293 1 108 . 1 1 13 13 TYR HA H 1 3.759 0.007 . 1 . . . . 13 TYR HA . 17293 1 109 . 1 1 13 13 TYR HB2 H 1 3.000 0.007 . 2 . . . . 13 TYR HB2 . 17293 1 110 . 1 1 13 13 TYR HB3 H 1 2.850 0.007 . 2 . . . . 13 TYR HB3 . 17293 1 111 . 1 1 13 13 TYR C C 13 178.702 0.01 . 1 . . . . 13 TYR C . 17293 1 112 . 1 1 13 13 TYR CA C 13 61.900 0.01 . 1 . . . . 13 TYR CA . 17293 1 113 . 1 1 13 13 TYR CB C 13 36.865 0.01 . 1 . . . . 13 TYR CB . 17293 1 114 . 1 1 14 14 SER H H 1 7.809 0.007 . 1 . . . . 14 SER H . 17293 1 115 . 1 1 14 14 SER HA H 1 4.207 0.007 . 1 . . . . 14 SER HA . 17293 1 116 . 1 1 14 14 SER HB2 H 1 3.871 0.007 . 2 . . . . 14 SER HB2 . 17293 1 117 . 1 1 14 14 SER HB3 H 1 3.861 0.007 . 2 . . . . 14 SER HB3 . 17293 1 118 . 1 1 14 14 SER C C 13 178.872 0.01 . 1 . . . . 14 SER C . 17293 1 119 . 1 1 14 14 SER CA C 13 62.048 0.01 . 1 . . . . 14 SER CA . 17293 1 120 . 1 1 14 14 SER CB C 13 63.277 0.01 . 1 . . . . 14 SER CB . 17293 1 121 . 1 1 14 14 SER N N 15 115.732 0.01 . 1 . . . . 14 SER N . 17293 1 122 . 1 1 15 15 ILE H H 1 7.770 0.007 . 1 . . . . 15 ILE H . 17293 1 123 . 1 1 15 15 ILE HA H 1 3.684 0.007 . 1 . . . . 15 ILE HA . 17293 1 124 . 1 1 15 15 ILE HB H 1 1.955 0.007 . 1 . . . . 15 ILE HB . 17293 1 125 . 1 1 15 15 ILE HG12 H 1 1.135 0.007 . 1 . . . . 15 ILE HG12 . 17293 1 126 . 1 1 15 15 ILE HG13 H 1 1.135 0.007 . 1 . . . . 15 ILE HG13 . 17293 1 127 . 1 1 15 15 ILE HG21 H 1 0.877 0.007 . 1 . . . . 15 ILE QG2 . 17293 1 128 . 1 1 15 15 ILE HG22 H 1 0.877 0.007 . 1 . . . . 15 ILE QG2 . 17293 1 129 . 1 1 15 15 ILE HG23 H 1 0.877 0.007 . 1 . . . . 15 ILE QG2 . 17293 1 130 . 1 1 15 15 ILE HD11 H 1 0.693 0.007 . 1 . . . . 15 ILE QD1 . 17293 1 131 . 1 1 15 15 ILE HD12 H 1 0.693 0.007 . 1 . . . . 15 ILE QD1 . 17293 1 132 . 1 1 15 15 ILE HD13 H 1 0.693 0.007 . 1 . . . . 15 ILE QD1 . 17293 1 133 . 1 1 15 15 ILE C C 13 176.998 0.01 . 1 . . . . 15 ILE C . 17293 1 134 . 1 1 15 15 ILE CA C 13 65.120 0.01 . 1 . . . . 15 ILE CA . 17293 1 135 . 1 1 15 15 ILE CB C 13 37.900 0.01 . 1 . . . . 15 ILE CB . 17293 1 136 . 1 1 15 15 ILE CG1 C 13 30.109 0.01 . 1 . . . . 15 ILE CG1 . 17293 1 137 . 1 1 15 15 ILE CG2 C 13 19.053 0.01 . 1 . . . . 15 ILE CG2 . 17293 1 138 . 1 1 15 15 ILE CD1 C 13 14.139 0.01 . 1 . . . . 15 ILE CD1 . 17293 1 139 . 1 1 15 15 ILE N N 15 124.383 0.01 . 1 . . . . 15 ILE N . 17293 1 140 . 1 1 16 16 LEU H H 1 6.929 0.007 . 1 . . . . 16 LEU H . 17293 1 141 . 1 1 16 16 LEU HA H 1 4.325 0.007 . 1 . . . . 16 LEU HA . 17293 1 142 . 1 1 16 16 LEU HB2 H 1 1.821 0.007 . 2 . . . . 16 LEU HB2 . 17293 1 143 . 1 1 16 16 LEU HB3 H 1 1.649 0.007 . 2 . . . . 16 LEU HB3 . 17293 1 144 . 1 1 16 16 LEU HG H 1 1.627 0.007 . 1 . . . . 16 LEU HG . 17293 1 145 . 1 1 16 16 LEU HD11 H 1 0.921 0.007 . 2 . . . . 16 LEU QD1 . 17293 1 146 . 1 1 16 16 LEU HD12 H 1 0.921 0.007 . 2 . . . . 16 LEU QD1 . 17293 1 147 . 1 1 16 16 LEU HD13 H 1 0.921 0.007 . 2 . . . . 16 LEU QD1 . 17293 1 148 . 1 1 16 16 LEU HD21 H 1 0.972 0.007 . 2 . . . . 16 LEU QD2 . 17293 1 149 . 1 1 16 16 LEU HD22 H 1 0.972 0.007 . 2 . . . . 16 LEU QD2 . 17293 1 150 . 1 1 16 16 LEU HD23 H 1 0.972 0.007 . 2 . . . . 16 LEU QD2 . 17293 1 151 . 1 1 16 16 LEU C C 13 175.975 0.01 . 1 . . . . 16 LEU C . 17293 1 152 . 1 1 16 16 LEU CA C 13 54.678 0.01 . 1 . . . . 16 LEU CA . 17293 1 153 . 1 1 16 16 LEU CB C 13 42.000 0.01 . 1 . . . . 16 LEU CB . 17293 1 154 . 1 1 16 16 LEU CG C 13 27.135 0.01 . 1 . . . . 16 LEU CG . 17293 1 155 . 1 1 16 16 LEU CD1 C 13 27.038 0.01 . 1 . . . . 16 LEU CD1 . 17293 1 156 . 1 1 16 16 LEU CD2 C 13 24.581 0.01 . 1 . . . . 16 LEU CD2 . 17293 1 157 . 1 1 16 16 LEU N N 15 115.592 0.01 . 1 . . . . 16 LEU N . 17293 1 158 . 1 1 17 17 GLY H H 1 7.907 0.007 . 1 . . . . 17 GLY H . 17293 1 159 . 1 1 17 17 GLY HA2 H 1 3.808 0.007 . 1 . . . . 17 GLY HA2 . 17293 1 160 . 1 1 17 17 GLY HA3 H 1 3.807 0.007 . 1 . . . . 17 GLY HA3 . 17293 1 161 . 1 1 17 17 GLY C C 13 173.2971 0.01 . 1 . . . . 17 GLY C . 17293 1 162 . 1 1 17 17 GLY CA C 13 46.693 0.01 . 1 . . . . 17 GLY CA . 17293 1 163 . 1 1 17 17 GLY N N 15 108.298 0.01 . 1 . . . . 17 GLY N . 17293 1 164 . 1 1 18 18 ALA H H 1 8.239 0.007 . 1 . . . . 18 ALA H . 17293 1 165 . 1 1 18 18 ALA HA H 1 4.701 0.007 . 1 . . . . 18 ALA HA . 17293 1 166 . 1 1 18 18 ALA HB1 H 1 1.297 0.007 . 1 . . . . 18 ALA QB . 17293 1 167 . 1 1 18 18 ALA HB2 H 1 1.297 0.007 . 1 . . . . 18 ALA QB . 17293 1 168 . 1 1 18 18 ALA HB3 H 1 1.297 0.007 . 1 . . . . 18 ALA QB . 17293 1 169 . 1 1 18 18 ALA C C 13 177.290 0.01 . 1 . . . . 18 ALA C . 17293 1 170 . 1 1 18 18 ALA CA C 13 49.800 0.01 . 1 . . . . 18 ALA CA . 17293 1 171 . 1 1 18 18 ALA CB C 13 23.500 0.01 . 1 . . . . 18 ALA CB . 17293 1 172 . 1 1 18 18 ALA N N 15 121.949 0.01 . 1 . . . . 18 ALA N . 17293 1 173 . 1 1 19 19 ASP H H 1 8.195 0.007 . 1 . . . . 19 ASP H . 17293 1 174 . 1 1 19 19 ASP HA H 1 4.709 0.007 . 1 . . . . 19 ASP HA . 17293 1 175 . 1 1 19 19 ASP HB2 H 1 2.554 0.007 . 2 . . . . 19 ASP HB2 . 17293 1 176 . 1 1 19 19 ASP HB3 H 1 2.423 0.007 . 2 . . . . 19 ASP HB3 . 17293 1 177 . 1 1 19 19 ASP CA C 13 52.221 0.01 . 1 . . . . 19 ASP CA . 17293 1 178 . 1 1 19 19 ASP CB C 13 43.008 0.01 . 1 . . . . 19 ASP CB . 17293 1 179 . 1 1 19 19 ASP N N 15 120.919 0.01 . 1 . . . . 19 ASP N . 17293 1 180 . 1 1 20 20 PRO HA H 1 4.701 0.007 . 1 . . . . 20 PRO HA . 17293 1 181 . 1 1 20 20 PRO HB2 H 1 1.737 0.007 . 2 . . . . 20 PRO HB2 . 17293 1 182 . 1 1 20 20 PRO HB3 H 1 1.734 0.007 . 2 . . . . 20 PRO HB3 . 17293 1 183 . 1 1 20 20 PRO HG2 H 1 1.483 0.007 . 2 . . . . 20 PRO HG2 . 17293 1 184 . 1 1 20 20 PRO HG3 H 1 1.480 0.007 . 2 . . . . 20 PRO HG3 . 17293 1 185 . 1 1 20 20 PRO HD2 H 1 3.571 0.007 . 2 . . . . 20 PRO HD2 . 17293 1 186 . 1 1 20 20 PRO HD3 H 1 3.371 0.007 . 2 . . . . 20 PRO HD3 . 17293 1 187 . 1 1 20 20 PRO C C 13 176.389 0.01 . 1 . . . . 20 PRO C . 17293 1 188 . 1 1 20 20 PRO CA C 13 63.900 0.01 . 1 . . . . 20 PRO CA . 17293 1 189 . 1 1 20 20 PRO CB C 13 31.700 0.01 . 1 . . . . 20 PRO CB . 17293 1 190 . 1 1 20 20 PRO CD C 13 50.992 0.01 . 1 . . . . 20 PRO CD . 17293 1 191 . 1 1 21 21 SER H H 1 8.051 0.007 . 1 . . . . 21 SER H . 17293 1 192 . 1 1 21 21 SER HA H 1 4.248 0.007 . 1 . . . . 21 SER HA . 17293 1 193 . 1 1 21 21 SER HB2 H 1 3.874 0.007 . 2 . . . . 21 SER HB2 . 17293 1 194 . 1 1 21 21 SER HB3 H 1 3.675 0.007 . 2 . . . . 21 SER HB3 . 17293 1 195 . 1 1 21 21 SER C C 13 174.636 0.01 . 1 . . . . 21 SER C . 17293 1 196 . 1 1 21 21 SER CA C 13 58.700 0.01 . 1 . . . . 21 SER CA . 17293 1 197 . 1 1 21 21 SER CB C 13 63.895 0.01 . 1 . . . . 21 SER CB . 17293 1 198 . 1 1 21 21 SER N N 15 113.238 0.01 . 1 . . . . 21 SER N . 17293 1 199 . 1 1 22 22 ALA H H 1 7.864 0.007 . 1 . . . . 22 ALA H . 17293 1 200 . 1 1 22 22 ALA HA H 1 4.216 0.007 . 1 . . . . 22 ALA HA . 17293 1 201 . 1 1 22 22 ALA HB1 H 1 1.552 0.007 . 1 . . . . 22 ALA QB . 17293 1 202 . 1 1 22 22 ALA HB2 H 1 1.552 0.007 . 1 . . . . 22 ALA QB . 17293 1 203 . 1 1 22 22 ALA HB3 H 1 1.552 0.007 . 1 . . . . 22 ALA QB . 17293 1 204 . 1 1 22 22 ALA C C 13 177.339 0.01 . 1 . . . . 22 ALA C . 17293 1 205 . 1 1 22 22 ALA CA C 13 53.200 0.01 . 1 . . . . 22 ALA CA . 17293 1 206 . 1 1 22 22 ALA CB C 13 20.000 0.01 . 1 . . . . 22 ALA CB . 17293 1 207 . 1 1 22 22 ALA N N 15 126.570 0.01 . 1 . . . . 22 ALA N . 17293 1 208 . 1 1 23 23 ASN H H 1 8.612 0.007 . 1 . . . . 23 ASN H . 17293 1 209 . 1 1 23 23 ASN HA H 1 4.823 0.007 . 1 . . . . 23 ASN HA . 17293 1 210 . 1 1 23 23 ASN HB2 H 1 3.087 0.007 . 2 . . . . 23 ASN HB2 . 17293 1 211 . 1 1 23 23 ASN HB3 H 1 2.886 0.007 . 2 . . . . 23 ASN HB3 . 17293 1 212 . 1 1 23 23 ASN HD21 H 1 7.603 0.007 . 2 . . . . 23 ASN HD21 . 17293 1 213 . 1 1 23 23 ASN HD22 H 1 6.841 0.007 . 2 . . . . 23 ASN HD22 . 17293 1 214 . 1 1 23 23 ASN CA C 13 52.221 0.01 . 1 . . . . 23 ASN CA . 17293 1 215 . 1 1 23 23 ASN CB C 13 39.937 0.01 . 1 . . . . 23 ASN CB . 17293 1 216 . 1 1 23 23 ASN N N 15 118.980 0.01 . 1 . . . . 23 ASN N . 17293 1 217 . 1 1 23 23 ASN ND2 N 15 113.358 0.01 . 1 . . . . 23 ASN ND2 . 17293 1 218 . 1 1 24 24 ILE H H 1 8.279 0.007 . 1 . . . . 24 ILE H . 17293 1 219 . 1 1 24 24 ILE HA H 1 3.893 0.007 . 1 . . . . 24 ILE HA . 17293 1 220 . 1 1 24 24 ILE HB H 1 1.852 0.007 . 1 . . . . 24 ILE HB . 17293 1 221 . 1 1 24 24 ILE HG12 H 1 1.434 0.007 . 1 . . . . 24 ILE HG12 . 17293 1 222 . 1 1 24 24 ILE HG13 H 1 1.434 0.007 . 1 . . . . 24 ILE HG13 . 17293 1 223 . 1 1 24 24 ILE HG21 H 1 1.016 0.007 . 1 . . . . 24 ILE QG2 . 17293 1 224 . 1 1 24 24 ILE HG22 H 1 1.016 0.007 . 1 . . . . 24 ILE QG2 . 17293 1 225 . 1 1 24 24 ILE HG23 H 1 1.016 0.007 . 1 . . . . 24 ILE QG2 . 17293 1 226 . 1 1 24 24 ILE HD11 H 1 0.819 0.007 . 1 . . . . 24 ILE QD1 . 17293 1 227 . 1 1 24 24 ILE HD12 H 1 0.819 0.007 . 1 . . . . 24 ILE QD1 . 17293 1 228 . 1 1 24 24 ILE HD13 H 1 0.819 0.007 . 1 . . . . 24 ILE QD1 . 17293 1 229 . 1 1 24 24 ILE CA C 13 65.734 0.01 . 1 . . . . 24 ILE CA . 17293 1 230 . 1 1 24 24 ILE CB C 13 38.094 0.01 . 1 . . . . 24 ILE CB . 17293 1 231 . 1 1 24 24 ILE CG1 C 13 30.109 0.01 . 1 . . . . 24 ILE CG1 . 17293 1 232 . 1 1 24 24 ILE CG2 C 13 18.439 0.01 . 1 . . . . 24 ILE CG2 . 17293 1 233 . 1 1 24 24 ILE CD1 C 13 13.525 0.01 . 1 . . . . 24 ILE CD1 . 17293 1 234 . 1 1 26 26 ASP HB2 H 1 2.847 0.007 . 2 . . . . 26 ASP HB2 . 17293 1 235 . 1 1 26 26 ASP HB3 H 1 2.699 0.007 . 2 . . . . 26 ASP HB3 . 17293 1 236 . 1 1 26 26 ASP C C 13 179.189 0.01 . 1 . . . . 26 ASP C . 17293 1 237 . 1 1 26 26 ASP CB C 13 41.779 0.01 . 1 . . . . 26 ASP CB . 17293 1 238 . 1 1 27 27 LEU H H 1 8.279 0.007 . 1 . . . . 27 LEU H . 17293 1 239 . 1 1 27 27 LEU HA H 1 3.852 0.007 . 1 . . . . 27 LEU HA . 17293 1 240 . 1 1 27 27 LEU HB2 H 1 2.269 0.007 . 2 . . . . 27 LEU HB2 . 17293 1 241 . 1 1 27 27 LEU HB3 H 1 1.382 0.007 . 2 . . . . 27 LEU HB3 . 17293 1 242 . 1 1 27 27 LEU HG H 1 0.853 0.007 . 1 . . . . 27 LEU HG . 17293 1 243 . 1 1 27 27 LEU HD11 H 1 0.870 0.007 . 2 . . . . 27 LEU QD1 . 17293 1 244 . 1 1 27 27 LEU HD12 H 1 0.870 0.007 . 2 . . . . 27 LEU QD1 . 17293 1 245 . 1 1 27 27 LEU HD13 H 1 0.870 0.007 . 2 . . . . 27 LEU QD1 . 17293 1 246 . 1 1 27 27 LEU HD21 H 1 0.803 0.007 . 2 . . . . 27 LEU QD2 . 17293 1 247 . 1 1 27 27 LEU HD22 H 1 0.803 0.007 . 2 . . . . 27 LEU QD2 . 17293 1 248 . 1 1 27 27 LEU HD23 H 1 0.803 0.007 . 2 . . . . 27 LEU QD2 . 17293 1 249 . 1 1 27 27 LEU C C 13 177.826 0.01 . 1 . . . . 27 LEU C . 17293 1 250 . 1 1 27 27 LEU CA C 13 58.400 0.01 . 1 . . . . 27 LEU CA . 17293 1 251 . 1 1 27 27 LEU CB C 13 42.393 0.01 . 1 . . . . 27 LEU CB . 17293 1 252 . 1 1 27 27 LEU CG C 13 27.038 0.01 . 1 . . . . 27 LEU CG . 17293 1 253 . 1 1 27 27 LEU CD1 C 13 24.581 0.01 . 1 . . . . 27 LEU CD1 . 17293 1 254 . 1 1 27 27 LEU CD2 C 13 24.581 0.01 . 1 . . . . 27 LEU CD2 . 17293 1 255 . 1 1 27 27 LEU N N 15 120.032 0.01 . 1 . . . . 27 LEU N . 17293 1 256 . 1 1 28 28 LYS H H 1 8.638 0.007 . 1 . . . . 28 LYS H . 17293 1 257 . 1 1 28 28 LYS HA H 1 4.229 0.007 . 1 . . . . 28 LYS HA . 17293 1 258 . 1 1 28 28 LYS HB2 H 1 1.988 0.007 . 2 . . . . 28 LYS HB2 . 17293 1 259 . 1 1 28 28 LYS HB3 H 1 1.943 0.007 . 2 . . . . 28 LYS HB3 . 17293 1 260 . 1 1 28 28 LYS HG2 H 1 1.846 0.007 . 2 . . . . 28 LYS HG2 . 17293 1 261 . 1 1 28 28 LYS HG3 H 1 1.794 0.007 . 2 . . . . 28 LYS HG3 . 17293 1 262 . 1 1 28 28 LYS HD2 H 1 1.688 0.007 . 1 . . . . 28 LYS HD2 . 17293 1 263 . 1 1 28 28 LYS HD3 H 1 1.688 0.007 . 1 . . . . 28 LYS HD3 . 17293 1 264 . 1 1 28 28 LYS HE2 H 1 2.935 0.007 . 1 . . . . 28 LYS HE2 . 17293 1 265 . 1 1 28 28 LYS HE3 H 1 2.935 0.007 . 1 . . . . 28 LYS HE3 . 17293 1 266 . 1 1 28 28 LYS C C 13 178.337 0.01 . 1 . . . . 28 LYS C . 17293 1 267 . 1 1 28 28 LYS CA C 13 59.900 0.01 . 1 . . . . 28 LYS CA . 17293 1 268 . 1 1 28 28 LYS CB C 13 32.400 0.01 . 1 . . . . 28 LYS CB . 17293 1 269 . 1 1 28 28 LYS CG C 13 25.195 0.01 . 1 . . . . 28 LYS CG . 17293 1 270 . 1 1 28 28 LYS CD C 13 26.562 0.01 . 1 . . . . 28 LYS CD . 17293 1 271 . 1 1 28 28 LYS CE C 13 42.220 0.01 . 1 . . . . 28 LYS CE . 17293 1 272 . 1 1 28 28 LYS N N 15 119.895 0.01 . 1 . . . . 28 LYS N . 17293 1 273 . 1 1 29 29 GLN H H 1 7.383 0.007 . 1 . . . . 29 GLN H . 17293 1 274 . 1 1 29 29 GLN HA H 1 3.954 0.007 . 1 . . . . 29 GLN HA . 17293 1 275 . 1 1 29 29 GLN HB2 H 1 2.175 0.007 . 2 . . . . 29 GLN HB2 . 17293 1 276 . 1 1 29 29 GLN HB3 H 1 2.164 0.007 . 2 . . . . 29 GLN HB3 . 17293 1 277 . 1 1 29 29 GLN HG2 H 1 2.548 0.007 . 2 . . . . 29 GLN HG2 . 17293 1 278 . 1 1 29 29 GLN HG3 H 1 2.362 0.007 . 2 . . . . 29 GLN HG3 . 17293 1 279 . 1 1 29 29 GLN C C 13 179.238 0.01 . 1 . . . . 29 GLN C . 17293 1 280 . 1 1 29 29 GLN CA C 13 59.000 0.01 . 1 . . . . 29 GLN CA . 17293 1 281 . 1 1 29 29 GLN CB C 13 28.600 0.01 . 1 . . . . 29 GLN CB . 17293 1 282 . 1 1 29 29 GLN CG C 13 34.588 0.01 . 1 . . . . 29 GLN CG . 17293 1 283 . 1 1 29 29 GLN N N 15 116.723 0.01 . 1 . . . . 29 GLN N . 17293 1 284 . 1 1 30 30 LYS H H 1 7.726 0.007 . 1 . . . . 30 LYS H . 17293 1 285 . 1 1 30 30 LYS HA H 1 3.951 0.007 . 1 . . . . 30 LYS HA . 17293 1 286 . 1 1 30 30 LYS HB2 H 1 1.878 0.007 . 2 . . . . 30 LYS HB2 . 17293 1 287 . 1 1 30 30 LYS HB3 H 1 1.918 0.007 . 2 . . . . 30 LYS HB3 . 17293 1 288 . 1 1 30 30 LYS HG2 H 1 1.447 0.007 . 2 . . . . 30 LYS HG2 . 17293 1 289 . 1 1 30 30 LYS HG3 H 1 1.461 0.007 . 2 . . . . 30 LYS HG3 . 17293 1 290 . 1 1 30 30 LYS HD2 H 1 1.567 0.007 . 2 . . . . 30 LYS HD2 . 17293 1 291 . 1 1 30 30 LYS HD3 H 1 1.579 0.007 . 2 . . . . 30 LYS HD3 . 17293 1 292 . 1 1 30 30 LYS C C 13 171.983 0.01 . 1 . . . . 30 LYS C . 17293 1 293 . 1 1 30 30 LYS CA C 13 59.592 0.01 . 1 . . . . 30 LYS CA . 17293 1 294 . 1 1 30 30 LYS CB C 13 32.600 0.01 . 1 . . . . 30 LYS CB . 17293 1 295 . 1 1 30 30 LYS CG C 13 24.678 0.01 . 1 . . . . 30 LYS CG . 17293 1 296 . 1 1 30 30 LYS N N 15 120.084 0.01 . 1 . . . . 30 LYS N . 17293 1 297 . 1 1 31 31 TYR H H 1 8.503 0.007 . 1 . . . . 31 TYR H . 17293 1 298 . 1 1 31 31 TYR HA H 1 3.827 0.007 . 1 . . . . 31 TYR HA . 17293 1 299 . 1 1 31 31 TYR HB2 H 1 2.539 0.007 . 2 . . . . 31 TYR HB2 . 17293 1 300 . 1 1 31 31 TYR HB3 H 1 2.327 0.007 . 2 . . . . 31 TYR HB3 . 17293 1 301 . 1 1 31 31 TYR C C 13 175.683 0.01 . 1 . . . . 31 TYR C . 17293 1 302 . 1 1 31 31 TYR CA C 13 61.400 0.01 . 1 . . . . 31 TYR CA . 17293 1 303 . 1 1 31 31 TYR CB C 13 38.300 0.01 . 1 . . . . 31 TYR CB . 17293 1 304 . 1 1 31 31 TYR N N 15 120.211 0.01 . 1 . . . . 31 TYR N . 17293 1 305 . 1 1 32 32 GLN H H 1 8.164 0.007 . 1 . . . . 32 GLN H . 17293 1 306 . 1 1 32 32 GLN HA H 1 3.970 0.007 . 1 . . . . 32 GLN HA . 17293 1 307 . 1 1 32 32 GLN HB2 H 1 2.207 0.007 . 2 . . . . 32 GLN HB2 . 17293 1 308 . 1 1 32 32 GLN HB3 H 1 2.102 0.007 . 2 . . . . 32 GLN HB3 . 17293 1 309 . 1 1 32 32 GLN HG2 H 1 2.915 0.007 . 2 . . . . 32 GLN HG2 . 17293 1 310 . 1 1 32 32 GLN HG3 H 1 3.017 0.007 . 2 . . . . 32 GLN HG3 . 17293 1 311 . 1 1 32 32 GLN C C 13 178.605 0.01 . 1 . . . . 32 GLN C . 17293 1 312 . 1 1 32 32 GLN CA C 13 59.000 0.01 . 1 . . . . 32 GLN CA . 17293 1 313 . 1 1 32 32 GLN CB C 13 28.200 0.01 . 1 . . . . 32 GLN CB . 17293 1 314 . 1 1 32 32 GLN CG C 13 35.161 0.01 . 1 . . . . 32 GLN CG . 17293 1 315 . 1 1 32 32 GLN N N 15 116.180 0.01 . 1 . . . . 32 GLN N . 17293 1 316 . 1 1 33 33 LYS H H 1 7.389 0.007 . 1 . . . . 33 LYS H . 17293 1 317 . 1 1 33 33 LYS HA H 1 3.950 0.007 . 1 . . . . 33 LYS HA . 17293 1 318 . 1 1 33 33 LYS HB2 H 1 1.821 0.007 . 1 . . . . 33 LYS HB2 . 17293 1 319 . 1 1 33 33 LYS HB3 H 1 1.821 0.007 . 1 . . . . 33 LYS HB3 . 17293 1 320 . 1 1 33 33 LYS HG2 H 1 1.478 0.007 . 2 . . . . 33 LYS HG2 . 17293 1 321 . 1 1 33 33 LYS HG3 H 1 1.330 0.007 . 2 . . . . 33 LYS HG3 . 17293 1 322 . 1 1 33 33 LYS HD2 H 1 1.584 0.007 . 1 . . . . 33 LYS HD2 . 17293 1 323 . 1 1 33 33 LYS HD3 H 1 1.584 0.007 . 1 . . . . 33 LYS HD3 . 17293 1 324 . 1 1 33 33 LYS HE2 H 1 2.547 0.007 . 2 . . . . 33 LYS HE2 . 17293 1 325 . 1 1 33 33 LYS HE3 H 1 2.360 0.007 . 2 . . . . 33 LYS HE3 . 17293 1 326 . 1 1 33 33 LYS C C 13 178.872 0.01 . 1 . . . . 33 LYS C . 17293 1 327 . 1 1 33 33 LYS CA C 13 58.997 0.01 . 1 . . . . 33 LYS CA . 17293 1 328 . 1 1 33 33 LYS CB C 13 32.500 0.01 . 1 . . . . 33 LYS CB . 17293 1 329 . 1 1 33 33 LYS CG C 13 25.809 0.01 . 1 . . . . 33 LYS CG . 17293 1 330 . 1 1 33 33 LYS N N 15 117.820 0.01 . 1 . . . . 33 LYS N . 17293 1 331 . 1 1 34 34 LEU H H 1 7.895 0.007 . 1 . . . . 34 LEU H . 17293 1 332 . 1 1 34 34 LEU HA H 1 4.066 0.007 . 1 . . . . 34 LEU HA . 17293 1 333 . 1 1 34 34 LEU HB2 H 1 1.662 0.007 . 2 . . . . 34 LEU HB2 . 17293 1 334 . 1 1 34 34 LEU HB3 H 1 1.502 0.007 . 2 . . . . 34 LEU HB3 . 17293 1 335 . 1 1 34 34 LEU HG H 1 1.453 0.007 . 1 . . . . 34 LEU HG . 17293 1 336 . 1 1 34 34 LEU HD11 H 1 0.973 0.007 . 2 . . . . 34 LEU QD1 . 17293 1 337 . 1 1 34 34 LEU HD12 H 1 0.973 0.007 . 2 . . . . 34 LEU QD1 . 17293 1 338 . 1 1 34 34 LEU HD13 H 1 0.973 0.007 . 2 . . . . 34 LEU QD1 . 17293 1 339 . 1 1 34 34 LEU HD21 H 1 0.762 0.007 . 2 . . . . 34 LEU QD2 . 17293 1 340 . 1 1 34 34 LEU HD22 H 1 0.762 0.007 . 2 . . . . 34 LEU QD2 . 17293 1 341 . 1 1 34 34 LEU HD23 H 1 0.762 0.007 . 2 . . . . 34 LEU QD2 . 17293 1 342 . 1 1 34 34 LEU C C 13 179.530 0.01 . 1 . . . . 34 LEU C . 17293 1 343 . 1 1 34 34 LEU CA C 13 58.200 0.01 . 1 . . . . 34 LEU CA . 17293 1 344 . 1 1 34 34 LEU CB C 13 42.116 0.01 . 1 . . . . 34 LEU CB . 17293 1 345 . 1 1 34 34 LEU CD1 C 13 23.967 0.01 . 1 . . . . 34 LEU CD1 . 17293 1 346 . 1 1 34 34 LEU CD2 C 13 23.967 0.01 . 1 . . . . 34 LEU CD2 . 17293 1 347 . 1 1 34 34 LEU N N 15 120.590 0.01 . 1 . . . . 34 LEU N . 17293 1 348 . 1 1 35 35 ILE H H 1 8.231 0.007 . 1 . . . . 35 ILE H . 17293 1 349 . 1 1 35 35 ILE HA H 1 3.886 0.007 . 1 . . . . 35 ILE HA . 17293 1 350 . 1 1 35 35 ILE HB H 1 1.564 0.007 . 1 . . . . 35 ILE HB . 17293 1 351 . 1 1 35 35 ILE HG12 H 1 0.949 0.007 . 1 . . . . 35 ILE HG12 . 17293 1 352 . 1 1 35 35 ILE HG13 H 1 0.949 0.007 . 1 . . . . 35 ILE HG13 . 17293 1 353 . 1 1 35 35 ILE HG21 H 1 0.563 0.007 . 1 . . . . 35 ILE QG2 . 17293 1 354 . 1 1 35 35 ILE HG22 H 1 0.563 0.007 . 1 . . . . 35 ILE QG2 . 17293 1 355 . 1 1 35 35 ILE HG23 H 1 0.563 0.007 . 1 . . . . 35 ILE QG2 . 17293 1 356 . 1 1 35 35 ILE HD11 H 1 0.486 0.007 . 1 . . . . 35 ILE QD1 . 17293 1 357 . 1 1 35 35 ILE HD12 H 1 0.486 0.007 . 1 . . . . 35 ILE QD1 . 17293 1 358 . 1 1 35 35 ILE HD13 H 1 0.486 0.007 . 1 . . . . 35 ILE QD1 . 17293 1 359 . 1 1 35 35 ILE C C 13 177.704 0.01 . 1 . . . . 35 ILE C . 17293 1 360 . 1 1 35 35 ILE CA C 13 63.277 0.01 . 1 . . . . 35 ILE CA . 17293 1 361 . 1 1 35 35 ILE CB C 13 37.200 0.01 . 1 . . . . 35 ILE CB . 17293 1 362 . 1 1 35 35 ILE CG1 C 13 27.652 0.01 . 1 . . . . 35 ILE CG1 . 17293 1 363 . 1 1 35 35 ILE CG2 C 13 18.439 0.01 . 1 . . . . 35 ILE CG2 . 17293 1 364 . 1 1 35 35 ILE CD1 C 13 13.525 0.01 . 1 . . . . 35 ILE CD1 . 17293 1 365 . 1 1 35 35 ILE N N 15 117.674 0.01 . 1 . . . . 35 ILE N . 17293 1 366 . 1 1 36 36 LEU H H 1 6.820 0.007 . 1 . . . . 36 LEU H . 17293 1 367 . 1 1 36 36 LEU HA H 1 4.034 0.007 . 1 . . . . 36 LEU HA . 17293 1 368 . 1 1 36 36 LEU HB2 H 1 1.674 0.007 . 2 . . . . 36 LEU HB2 . 17293 1 369 . 1 1 36 36 LEU HB3 H 1 1.468 0.007 . 2 . . . . 36 LEU HB3 . 17293 1 370 . 1 1 36 36 LEU HG H 1 1.453 0.007 . 1 . . . . 36 LEU HG . 17293 1 371 . 1 1 36 36 LEU HD11 H 1 0.799 0.007 . 2 . . . . 36 LEU QD1 . 17293 1 372 . 1 1 36 36 LEU HD12 H 1 0.799 0.007 . 2 . . . . 36 LEU QD1 . 17293 1 373 . 1 1 36 36 LEU HD13 H 1 0.799 0.007 . 2 . . . . 36 LEU QD1 . 17293 1 374 . 1 1 36 36 LEU HD21 H 1 0.736 0.007 . 2 . . . . 36 LEU QD2 . 17293 1 375 . 1 1 36 36 LEU HD22 H 1 0.736 0.007 . 2 . . . . 36 LEU QD2 . 17293 1 376 . 1 1 36 36 LEU HD23 H 1 0.736 0.007 . 2 . . . . 36 LEU QD2 . 17293 1 377 . 1 1 36 36 LEU C C 13 178.751 0.01 . 1 . . . . 36 LEU C . 17293 1 378 . 1 1 36 36 LEU CA C 13 57.200 0.01 . 1 . . . . 36 LEU CA . 17293 1 379 . 1 1 36 36 LEU CB C 13 42.393 0.01 . 1 . . . . 36 LEU CB . 17293 1 380 . 1 1 36 36 LEU CG C 13 26.972 0.01 . 1 . . . . 36 LEU CG . 17293 1 381 . 1 1 36 36 LEU CD1 C 13 25.252 0.01 . 1 . . . . 36 LEU CD1 . 17293 1 382 . 1 1 36 36 LEU CD2 C 13 23.614 0.01 . 1 . . . . 36 LEU CD2 . 17293 1 383 . 1 1 36 36 LEU N N 15 118.756 0.01 . 1 . . . . 36 LEU N . 17293 1 384 . 1 1 37 37 MET H H 1 7.347 0.007 . 1 . . . . 37 MET H . 17293 1 385 . 1 1 37 37 MET HA H 1 3.961 0.007 . 1 . . . . 37 MET HA . 17293 1 386 . 1 1 37 37 MET HB2 H 1 1.811 0.007 . 2 . . . . 37 MET HB2 . 17293 1 387 . 1 1 37 37 MET HB3 H 1 1.591 0.007 . 2 . . . . 37 MET HB3 . 17293 1 388 . 1 1 37 37 MET HG2 H 1 2.224 0.007 . 2 . . . . 37 MET HG2 . 17293 1 389 . 1 1 37 37 MET HG3 H 1 1.963 0.007 . 2 . . . . 37 MET HG3 . 17293 1 390 . 1 1 37 37 MET C C 13 177.266 0.01 . 1 . . . . 37 MET C . 17293 1 391 . 1 1 37 37 MET CA C 13 58.363 0.01 . 1 . . . . 37 MET CA . 17293 1 392 . 1 1 37 37 MET CB C 13 33.500 0.01 . 1 . . . . 37 MET CB . 17293 1 393 . 1 1 37 37 MET CG C 13 31.803 0.01 . 1 . . . . 37 MET CG . 17293 1 394 . 1 1 37 37 MET N N 15 116.727 0.01 . 1 . . . . 37 MET N . 17293 1 395 . 1 1 38 38 TYR H H 1 7.652 0.007 . 1 . . . . 38 TYR H . 17293 1 396 . 1 1 38 38 TYR HA H 1 4.518 0.007 . 1 . . . . 38 TYR HA . 17293 1 397 . 1 1 38 38 TYR HB2 H 1 3.356 0.007 . 2 . . . . 38 TYR HB2 . 17293 1 398 . 1 1 38 38 TYR HB3 H 1 2.476 0.007 . 2 . . . . 38 TYR HB3 . 17293 1 399 . 1 1 38 38 TYR C C 13 173.833 0.01 . 1 . . . . 38 TYR C . 17293 1 400 . 1 1 38 38 TYR CA C 13 58.300 0.01 . 1 . . . . 38 TYR CA . 17293 1 401 . 1 1 38 38 TYR CB C 13 39.322 0.01 . 1 . . . . 38 TYR CB . 17293 1 402 . 1 1 38 38 TYR N N 15 114.588 0.01 . 1 . . . . 38 TYR N . 17293 1 403 . 1 1 39 39 HIS H H 1 7.539 0.007 . 1 . . . . 39 HIS H . 17293 1 404 . 1 1 39 39 HIS HA H 1 4.527 0.007 . 1 . . . . 39 HIS HA . 17293 1 405 . 1 1 39 39 HIS HB2 H 1 3.179 0.007 . 1 . . . . 39 HIS HB2 . 17293 1 406 . 1 1 39 39 HIS HB3 H 1 3.179 0.007 . 1 . . . . 39 HIS HB3 . 17293 1 407 . 1 1 39 39 HIS CA C 13 56.200 0.01 . 1 . . . . 39 HIS CA . 17293 1 408 . 1 1 39 39 HIS CB C 13 31.000 0.01 . 1 . . . . 39 HIS CB . 17293 1 409 . 1 1 39 39 HIS N N 15 121.048 0.01 . 1 . . . . 39 HIS N . 17293 1 410 . 1 1 40 40 PRO HA H 1 4.121 0.007 . 1 . . . . 40 PRO HA . 17293 1 411 . 1 1 40 40 PRO HB2 H 1 2.260 0.007 . 2 . . . . 40 PRO HB2 . 17293 1 412 . 1 1 40 40 PRO HB3 H 1 2.117 0.007 . 2 . . . . 40 PRO HB3 . 17293 1 413 . 1 1 40 40 PRO HG2 H 1 1.515 0.007 . 2 . . . . 40 PRO HG2 . 17293 1 414 . 1 1 40 40 PRO HG3 H 1 1.520 0.007 . 2 . . . . 40 PRO HG3 . 17293 1 415 . 1 1 40 40 PRO HD2 H 1 2.803 0.007 . 2 . . . . 40 PRO HD2 . 17293 1 416 . 1 1 40 40 PRO HD3 H 1 2.175 0.007 . 2 . . . . 40 PRO HD3 . 17293 1 417 . 1 1 40 40 PRO CD C 13 50.378 0.01 . 1 . . . . 40 PRO CD . 17293 1 418 . 1 1 41 41 ASP H H 1 7.887 0.007 . 1 . . . . 41 ASP H . 17293 1 419 . 1 1 41 41 ASP HA H 1 4.452 0.007 . 1 . . . . 41 ASP HA . 17293 1 420 . 1 1 41 41 ASP HB2 H 1 2.898 0.007 . 2 . . . . 41 ASP HB2 . 17293 1 421 . 1 1 41 41 ASP HB3 H 1 2.893 0.007 . 2 . . . . 41 ASP HB3 . 17293 1 422 . 1 1 41 41 ASP C C 13 177.655 0.01 . 1 . . . . 41 ASP C . 17293 1 423 . 1 1 41 41 ASP CA C 13 55.906 0.01 . 1 . . . . 41 ASP CA . 17293 1 424 . 1 1 41 41 ASP CB C 13 41.779 0.01 . 1 . . . . 41 ASP CB . 17293 1 425 . 1 1 42 42 LYS H H 1 7.665 0.007 . 1 . . . . 42 LYS H . 17293 1 426 . 1 1 42 42 LYS HA H 1 4.093 0.007 . 1 . . . . 42 LYS HA . 17293 1 427 . 1 1 42 42 LYS HB2 H 1 1.775 0.007 . 1 . . . . 42 LYS HB2 . 17293 1 428 . 1 1 42 42 LYS HB3 H 1 1.775 0.007 . 1 . . . . 42 LYS HB3 . 17293 1 429 . 1 1 42 42 LYS HG2 H 1 1.532 0.007 . 1 . . . . 42 LYS HG2 . 17293 1 430 . 1 1 42 42 LYS HG3 H 1 1.532 0.007 . 1 . . . . 42 LYS HG3 . 17293 1 431 . 1 1 42 42 LYS HD2 H 1 1.733 0.007 . 1 . . . . 42 LYS HD2 . 17293 1 432 . 1 1 42 42 LYS HD3 H 1 1.733 0.007 . 1 . . . . 42 LYS HD3 . 17293 1 433 . 1 1 42 42 LYS HE2 H 1 2.508 0.007 . 1 . . . . 42 LYS HE2 . 17293 1 434 . 1 1 42 42 LYS HE3 H 1 2.508 0.007 . 1 . . . . 42 LYS HE3 . 17293 1 435 . 1 1 42 42 LYS CA C 13 57.900 0.01 . 1 . . . . 42 LYS CA . 17293 1 436 . 1 1 42 42 LYS CB C 13 28.684 0.01 . 1 . . . . 42 LYS CB . 17293 1 437 . 1 1 42 42 LYS N N 15 119.461 0.01 . 1 . . . . 42 LYS N . 17293 1 438 . 1 1 43 43 GLN H H 1 7.893 0.007 . 1 . . . . 43 GLN H . 17293 1 439 . 1 1 43 43 GLN HA H 1 4.229 0.007 . 1 . . . . 43 GLN HA . 17293 1 440 . 1 1 43 43 GLN HB2 H 1 1.940 0.007 . 2 . . . . 43 GLN HB2 . 17293 1 441 . 1 1 43 43 GLN HB3 H 1 1.952 0.007 . 2 . . . . 43 GLN HB3 . 17293 1 442 . 1 1 43 43 GLN HG2 H 1 2.255 0.007 . 1 . . . . 43 GLN HG2 . 17293 1 443 . 1 1 43 43 GLN HG3 H 1 2.254 0.007 . 1 . . . . 43 GLN HG3 . 17293 1 444 . 1 1 43 43 GLN C C 13 177.412 0.01 . 1 . . . . 43 GLN C . 17293 1 445 . 1 1 43 43 GLN CA C 13 55.906 0.01 . 1 . . . . 43 GLN CA . 17293 1 446 . 1 1 43 43 GLN CB C 13 29.500 0.01 . 1 . . . . 43 GLN CB . 17293 1 447 . 1 1 43 43 GLN CG C 13 33.794 0.01 . 1 . . . . 43 GLN CG . 17293 1 448 . 1 1 44 44 SER H H 1 8.313 0.007 . 1 . . . . 44 SER H . 17293 1 449 . 1 1 44 44 SER HA H 1 4.417 0.007 . 1 . . . . 44 SER HA . 17293 1 450 . 1 1 44 44 SER HB2 H 1 3.882 0.007 . 2 . . . . 44 SER HB2 . 17293 1 451 . 1 1 44 44 SER HB3 H 1 3.786 0.007 . 2 . . . . 44 SER HB3 . 17293 1 452 . 1 1 44 44 SER CA C 13 58.400 0.01 . 1 . . . . 44 SER CA . 17293 1 453 . 1 1 44 44 SER CB C 13 63.891 0.01 . 1 . . . . 44 SER CB . 17293 1 454 . 1 1 44 44 SER N N 15 116.727 0.01 . 1 . . . . 44 SER N . 17293 1 455 . 1 1 45 45 THR H H 1 8.210 0.007 . 1 . . . . 45 THR H . 17293 1 456 . 1 1 45 45 THR HA H 1 4.220 0.007 . 1 . . . . 45 THR HA . 17293 1 457 . 1 1 45 45 THR HB H 1 4.233 0.007 . 1 . . . . 45 THR HB . 17293 1 458 . 1 1 45 45 THR HG21 H 1 1.130 0.007 . 1 . . . . 45 THR QG2 . 17293 1 459 . 1 1 45 45 THR HG22 H 1 1.130 0.007 . 1 . . . . 45 THR QG2 . 17293 1 460 . 1 1 45 45 THR HG23 H 1 1.130 0.007 . 1 . . . . 45 THR QG2 . 17293 1 461 . 1 1 45 45 THR C C 13 177.266 0.01 . 1 . . . . 45 THR C . 17293 1 462 . 1 1 45 45 THR CA C 13 62.663 0.01 . 1 . . . . 45 THR CA . 17293 1 463 . 1 1 45 45 THR CB C 13 69.419 0.01 . 1 . . . . 45 THR CB . 17293 1 464 . 1 1 45 45 THR CG2 C 13 22.124 0.01 . 1 . . . . 45 THR CG2 . 17293 1 465 . 1 1 46 46 ASP H H 1 8.195 0.007 . 1 . . . . 46 ASP H . 17293 1 466 . 1 1 46 46 ASP HA H 1 4.525 0.007 . 1 . . . . 46 ASP HA . 17293 1 467 . 1 1 46 46 ASP HB2 H 1 2.604 0.007 . 2 . . . . 46 ASP HB2 . 17293 1 468 . 1 1 46 46 ASP HB3 H 1 2.524 0.007 . 2 . . . . 46 ASP HB3 . 17293 1 469 . 1 1 46 46 ASP C C 13 175.634 0.01 . 1 . . . . 46 ASP C . 17293 1 470 . 1 1 46 46 ASP CA C 13 54.500 0.01 . 1 . . . . 46 ASP CA . 17293 1 471 . 1 1 46 46 ASP CB C 13 40.551 0.01 . 1 . . . . 46 ASP CB . 17293 1 472 . 1 1 46 46 ASP N N 15 120.556 0.01 . 1 . . . . 46 ASP N . 17293 1 473 . 1 1 47 47 VAL H H 1 7.574 0.007 . 1 . . . . 47 VAL H . 17293 1 474 . 1 1 47 47 VAL HA H 1 4.325 0.007 . 1 . . . . 47 VAL HA . 17293 1 475 . 1 1 47 47 VAL HB H 1 1.994 0.007 . 1 . . . . 47 VAL HB . 17293 1 476 . 1 1 47 47 VAL HG11 H 1 0.875 0.007 . 2 . . . . 47 VAL QG1 . 17293 1 477 . 1 1 47 47 VAL HG12 H 1 0.875 0.007 . 2 . . . . 47 VAL QG1 . 17293 1 478 . 1 1 47 47 VAL HG13 H 1 0.875 0.007 . 2 . . . . 47 VAL QG1 . 17293 1 479 . 1 1 47 47 VAL HG21 H 1 0.824 0.007 . 2 . . . . 47 VAL QG2 . 17293 1 480 . 1 1 47 47 VAL HG22 H 1 0.824 0.007 . 2 . . . . 47 VAL QG2 . 17293 1 481 . 1 1 47 47 VAL HG23 H 1 0.824 0.007 . 2 . . . . 47 VAL QG2 . 17293 1 482 . 1 1 47 47 VAL CA C 13 60.206 0.01 . 1 . . . . 47 VAL CA . 17293 1 483 . 1 1 47 47 VAL CB C 13 32.700 0.01 . 1 . . . . 47 VAL CB . 17293 1 484 . 1 1 47 47 VAL CG1 C 13 21.510 0.01 . 1 . . . . 47 VAL CG1 . 17293 1 485 . 1 1 47 47 VAL CG2 C 13 20.281 0.01 . 1 . . . . 47 VAL CG2 . 17293 1 486 . 1 1 47 47 VAL N N 15 119.398 0.01 . 1 . . . . 47 VAL N . 17293 1 487 . 1 1 48 48 PRO HA H 1 4.311 0.007 . 1 . . . . 48 PRO HA . 17293 1 488 . 1 1 48 48 PRO HB2 H 1 1.933 0.007 . 2 . . . . 48 PRO HB2 . 17293 1 489 . 1 1 48 48 PRO HB3 H 1 1.922 0.007 . 2 . . . . 48 PRO HB3 . 17293 1 490 . 1 1 48 48 PRO HG2 H 1 1.881 0.007 . 2 . . . . 48 PRO HG2 . 17293 1 491 . 1 1 48 48 PRO HG3 H 1 1.872 0.007 . 2 . . . . 48 PRO HG3 . 17293 1 492 . 1 1 48 48 PRO HD2 H 1 3.749 0.007 . 2 . . . . 48 PRO HD2 . 17293 1 493 . 1 1 48 48 PRO HD3 H 1 3.539 0.007 . 2 . . . . 48 PRO HD3 . 17293 1 494 . 1 1 48 48 PRO C C 13 176.073 0.01 . 1 . . . . 48 PRO C . 17293 1 495 . 1 1 48 48 PRO CA C 13 63.300 0.01 . 1 . . . . 48 PRO CA . 17293 1 496 . 1 1 48 48 PRO CB C 13 32.300 0.01 . 1 . . . . 48 PRO CB . 17293 1 497 . 1 1 48 48 PRO CG C 13 27.954 0.01 . 1 . . . . 48 PRO CG . 17293 1 498 . 1 1 48 48 PRO CD C 13 51.039 0.01 . 1 . . . . 48 PRO CD . 17293 1 499 . 1 1 49 49 ALA H H 1 8.521 0.007 . 1 . . . . 49 ALA H . 17293 1 500 . 1 1 49 49 ALA HA H 1 4.153 0.007 . 1 . . . . 49 ALA HA . 17293 1 501 . 1 1 49 49 ALA HB1 H 1 1.333 0.007 . 1 . . . . 49 ALA QB . 17293 1 502 . 1 1 49 49 ALA HB2 H 1 1.333 0.007 . 1 . . . . 49 ALA QB . 17293 1 503 . 1 1 49 49 ALA HB3 H 1 1.333 0.007 . 1 . . . . 49 ALA QB . 17293 1 504 . 1 1 49 49 ALA C C 13 175.196 0.01 . 1 . . . . 49 ALA C . 17293 1 505 . 1 1 49 49 ALA CA C 13 53.900 0.01 . 1 . . . . 49 ALA CA . 17293 1 506 . 1 1 49 49 ALA CB C 13 19.100 0.01 . 1 . . . . 49 ALA CB . 17293 1 507 . 1 1 49 49 ALA N N 15 125.477 0.01 . 1 . . . . 49 ALA N . 17293 1 508 . 1 1 50 50 GLY H H 1 8.317 0.007 . 1 . . . . 50 GLY H . 17293 1 509 . 1 1 50 50 GLY HA2 H 1 3.990 0.007 . 2 . . . . 50 GLY HA2 . 17293 1 510 . 1 1 50 50 GLY HA3 H 1 3.895 0.007 . 2 . . . . 50 GLY HA3 . 17293 1 511 . 1 1 50 50 GLY C C 13 174.831 0.01 . 1 . . . . 50 GLY C . 17293 1 512 . 1 1 50 50 GLY CA C 13 45.800 0.01 . 1 . . . . 50 GLY CA . 17293 1 513 . 1 1 50 50 GLY N N 15 107.400 0.01 . 1 . . . . 50 GLY N . 17293 1 514 . 1 1 51 51 THR H H 1 7.968 0.007 . 1 . . . . 51 THR H . 17293 1 515 . 1 1 51 51 THR HA H 1 4.296 0.007 . 1 . . . . 51 THR HA . 17293 1 516 . 1 1 51 51 THR HB H 1 4.306 0.007 . 1 . . . . 51 THR HB . 17293 1 517 . 1 1 51 51 THR HG21 H 1 1.185 0.007 . 1 . . . . 51 THR QG2 . 17293 1 518 . 1 1 51 51 THR HG22 H 1 1.185 0.007 . 1 . . . . 51 THR QG2 . 17293 1 519 . 1 1 51 51 THR HG23 H 1 1.185 0.007 . 1 . . . . 51 THR QG2 . 17293 1 520 . 1 1 51 51 THR C C 13 175.586 0.01 . 1 . . . . 51 THR C . 17293 1 521 . 1 1 51 51 THR CA C 13 63.277 0.01 . 1 . . . . 51 THR CA . 17293 1 522 . 1 1 51 51 THR CB C 13 70.648 0.01 . 1 . . . . 51 THR CB . 17293 1 523 . 1 1 51 51 THR CG2 C 13 22.140 0.01 . 1 . . . . 51 THR CG2 . 17293 1 524 . 1 1 51 51 THR N N 15 115.086 0.01 . 1 . . . . 51 THR N . 17293 1 525 . 1 1 52 52 VAL H H 1 8.300 0.007 . 1 . . . . 52 VAL H . 17293 1 526 . 1 1 52 52 VAL HA H 1 3.709 0.007 . 1 . . . . 52 VAL HA . 17293 1 527 . 1 1 52 52 VAL HB H 1 2.026 0.007 . 1 . . . . 52 VAL HB . 17293 1 528 . 1 1 52 52 VAL HG11 H 1 0.921 0.007 . 2 . . . . 52 VAL QG1 . 17293 1 529 . 1 1 52 52 VAL HG12 H 1 0.921 0.007 . 2 . . . . 52 VAL QG1 . 17293 1 530 . 1 1 52 52 VAL HG13 H 1 0.921 0.007 . 2 . . . . 52 VAL QG1 . 17293 1 531 . 1 1 52 52 VAL HG21 H 1 0.871 0.007 . 2 . . . . 52 VAL QG2 . 17293 1 532 . 1 1 52 52 VAL HG22 H 1 0.871 0.007 . 2 . . . . 52 VAL QG2 . 17293 1 533 . 1 1 52 52 VAL HG23 H 1 0.871 0.007 . 2 . . . . 52 VAL QG2 . 17293 1 534 . 1 1 52 52 VAL C C 13 177.533 0.01 . 1 . . . . 52 VAL C . 17293 1 535 . 1 1 52 52 VAL CA C 13 66.348 0.01 . 1 . . . . 52 VAL CA . 17293 1 536 . 1 1 52 52 VAL CB C 13 31.700 0.01 . 1 . . . . 52 VAL CB . 17293 1 537 . 1 1 52 52 VAL CG1 C 13 22.068 0.01 . 1 . . . . 52 VAL CG1 . 17293 1 538 . 1 1 52 52 VAL CG2 C 13 21.510 0.01 . 1 . . . . 52 VAL CG2 . 17293 1 539 . 1 1 52 52 VAL N N 15 123.039 0.01 . 1 . . . . 52 VAL N . 17293 1 540 . 1 1 53 53 GLU H H 1 8.455 0.007 . 1 . . . . 53 GLU H . 17293 1 541 . 1 1 53 53 GLU HA H 1 4.005 0.007 . 1 . . . . 53 GLU HA . 17293 1 542 . 1 1 53 53 GLU HB2 H 1 2.147 0.007 . 2 . . . . 53 GLU HB2 . 17293 1 543 . 1 1 53 53 GLU HB3 H 1 2.000 0.007 . 2 . . . . 53 GLU HB3 . 17293 1 544 . 1 1 53 53 GLU HG2 H 1 2.223 0.007 . 2 . . . . 53 GLU HG2 . 17293 1 545 . 1 1 53 53 GLU HG3 H 1 2.237 0.007 . 2 . . . . 53 GLU HG3 . 17293 1 546 . 1 1 53 53 GLU C C 13 179.335 0.01 . 1 . . . . 53 GLU C . 17293 1 547 . 1 1 53 53 GLU CA C 13 59.600 0.01 . 1 . . . . 53 GLU CA . 17293 1 548 . 1 1 53 53 GLU CB C 13 29.500 0.01 . 1 . . . . 53 GLU CB . 17293 1 549 . 1 1 53 53 GLU CG C 13 36.963 0.01 . 1 . . . . 53 GLU CG . 17293 1 550 . 1 1 53 53 GLU N N 15 120.139 0.01 . 1 . . . . 53 GLU N . 17293 1 551 . 1 1 54 54 GLU H H 1 7.913 0.007 . 1 . . . . 54 GLU H . 17293 1 552 . 1 1 54 54 GLU HA H 1 3.994 0.007 . 1 . . . . 54 GLU HA . 17293 1 553 . 1 1 54 54 GLU HB2 H 1 2.160 0.007 . 2 . . . . 54 GLU HB2 . 17293 1 554 . 1 1 54 54 GLU HB3 H 1 1.896 0.007 . 2 . . . . 54 GLU HB3 . 17293 1 555 . 1 1 54 54 GLU HG2 H 1 2.252 0.007 . 2 . . . . 54 GLU HG2 . 17293 1 556 . 1 1 54 54 GLU HG3 H 1 2.283 0.007 . 2 . . . . 54 GLU HG3 . 17293 1 557 . 1 1 54 54 GLU C C 13 178.726 0.01 . 1 . . . . 54 GLU C . 17293 1 558 . 1 1 54 54 GLU CA C 13 58.997 0.01 . 1 . . . . 54 GLU CA . 17293 1 559 . 1 1 54 54 GLU CB C 13 30.000 0.01 . 1 . . . . 54 GLU CB . 17293 1 560 . 1 1 54 54 GLU CG C 13 36.635 0.01 . 1 . . . . 54 GLU CG . 17293 1 561 . 1 1 54 54 GLU N N 15 120.373 0.01 . 1 . . . . 54 GLU N . 17293 1 562 . 1 1 55 55 CYS H H 1 8.218 0.007 . 1 . . . . 55 CYS H . 17293 1 563 . 1 1 55 55 CYS HA H 1 4.142 0.007 . 1 . . . . 55 CYS HA . 17293 1 564 . 1 1 55 55 CYS HB2 H 1 3.102 0.007 . 2 . . . . 55 CYS HB2 . 17293 1 565 . 1 1 55 55 CYS HB3 H 1 3.120 0.007 . 2 . . . . 55 CYS HB3 . 17293 1 566 . 1 1 55 55 CYS C C 13 174.880 0.01 . 1 . . . . 55 CYS C . 17293 1 567 . 1 1 55 55 CYS CA C 13 63.277 0.01 . 1 . . . . 55 CYS CA . 17293 1 568 . 1 1 55 55 CYS CB C 13 26.900 0.01 . 1 . . . . 55 CYS CB . 17293 1 569 . 1 1 55 55 CYS N N 15 118.954 0.01 . 1 . . . . 55 CYS N . 17293 1 570 . 1 1 56 56 VAL H H 1 8.169 0.007 . 1 . . . . 56 VAL H . 17293 1 571 . 1 1 56 56 VAL HA H 1 3.668 0.007 . 1 . . . . 56 VAL HA . 17293 1 572 . 1 1 56 56 VAL HB H 1 2.087 0.007 . 1 . . . . 56 VAL HB . 17293 1 573 . 1 1 56 56 VAL HG11 H 1 0.983 0.007 . 2 . . . . 56 VAL QG1 . 17293 1 574 . 1 1 56 56 VAL HG12 H 1 0.983 0.007 . 2 . . . . 56 VAL QG1 . 17293 1 575 . 1 1 56 56 VAL HG13 H 1 0.983 0.007 . 2 . . . . 56 VAL QG1 . 17293 1 576 . 1 1 56 56 VAL HG21 H 1 0.918 0.007 . 2 . . . . 56 VAL QG2 . 17293 1 577 . 1 1 56 56 VAL HG22 H 1 0.918 0.007 . 2 . . . . 56 VAL QG2 . 17293 1 578 . 1 1 56 56 VAL HG23 H 1 0.918 0.007 . 2 . . . . 56 VAL QG2 . 17293 1 579 . 1 1 56 56 VAL CA C 13 66.962 0.01 . 1 . . . . 56 VAL CA . 17293 1 580 . 1 1 56 56 VAL CB C 13 32.000 0.01 . 1 . . . . 56 VAL CB . 17293 1 581 . 1 1 56 56 VAL CG1 C 13 23.353 0.01 . 1 . . . . 56 VAL CG1 . 17293 1 582 . 1 1 56 56 VAL CG2 C 13 21.510 0.01 . 1 . . . . 56 VAL CG2 . 17293 1 583 . 1 1 56 56 VAL N N 15 120.955 0.01 . 1 . . . . 56 VAL N . 17293 1 584 . 1 1 57 57 GLN HB2 H 1 2.058 0.007 . 2 . . . . 57 GLN HB2 . 17293 1 585 . 1 1 57 57 GLN HB3 H 1 2.033 0.007 . 2 . . . . 57 GLN HB3 . 17293 1 586 . 1 1 57 57 GLN HG2 H 1 2.354 0.007 . 2 . . . . 57 GLN HG2 . 17293 1 587 . 1 1 57 57 GLN HG3 H 1 2.163 0.007 . 2 . . . . 57 GLN HG3 . 17293 1 588 . 1 1 57 57 GLN C C 13 177.558 0.01 . 1 . . . . 57 GLN C . 17293 1 589 . 1 1 57 57 GLN CB C 13 27.533 0.01 . 1 . . . . 57 GLN CB . 17293 1 590 . 1 1 58 58 LYS H H 1 7.725 0.007 . 1 . . . . 58 LYS H . 17293 1 591 . 1 1 58 58 LYS HB2 H 1 1.560 0.007 . 1 . . . . 58 LYS HB2 . 17293 1 592 . 1 1 58 58 LYS HB3 H 1 1.560 0.007 . 1 . . . . 58 LYS HB3 . 17293 1 593 . 1 1 58 58 LYS HD2 H 1 1.691 0.007 . 1 . . . . 58 LYS HD2 . 17293 1 594 . 1 1 58 58 LYS HD3 H 1 1.691 0.007 . 1 . . . . 58 LYS HD3 . 17293 1 595 . 1 1 58 58 LYS HE2 H 1 2.912 0.007 . 1 . . . . 58 LYS HE2 . 17293 1 596 . 1 1 58 58 LYS HE3 H 1 2.912 0.007 . 1 . . . . 58 LYS HE3 . 17293 1 597 . 1 1 58 58 LYS N N 15 117.848 0.01 . 1 . . . . 58 LYS N . 17293 1 598 . 1 1 60 60 ILE H H 1 7.986 0.007 . 1 . . . . 60 ILE H . 17293 1 599 . 1 1 60 60 ILE HA H 1 3.927 0.007 . 1 . . . . 60 ILE HA . 17293 1 600 . 1 1 60 60 ILE HB H 1 1.671 0.007 . 1 . . . . 60 ILE HB . 17293 1 601 . 1 1 60 60 ILE HG12 H 1 0.955 0.007 . 1 . . . . 60 ILE HG12 . 17293 1 602 . 1 1 60 60 ILE HG13 H 1 0.955 0.007 . 1 . . . . 60 ILE HG13 . 17293 1 603 . 1 1 60 60 ILE HG21 H 1 0.891 0.007 . 1 . . . . 60 ILE QG2 . 17293 1 604 . 1 1 60 60 ILE HG22 H 1 0.891 0.007 . 1 . . . . 60 ILE QG2 . 17293 1 605 . 1 1 60 60 ILE HG23 H 1 0.891 0.007 . 1 . . . . 60 ILE QG2 . 17293 1 606 . 1 1 60 60 ILE HD11 H 1 0.702 0.007 . 1 . . . . 60 ILE QD1 . 17293 1 607 . 1 1 60 60 ILE HD12 H 1 0.702 0.007 . 1 . . . . 60 ILE QD1 . 17293 1 608 . 1 1 60 60 ILE HD13 H 1 0.702 0.007 . 1 . . . . 60 ILE QD1 . 17293 1 609 . 1 1 60 60 ILE C C 13 178.824 0.01 . 1 . . . . 60 ILE C . 17293 1 610 . 1 1 60 60 ILE CA C 13 62.048 0.01 . 1 . . . . 60 ILE CA . 17293 1 611 . 1 1 60 60 ILE CB C 13 38.708 0.01 . 1 . . . . 60 ILE CB . 17293 1 612 . 1 1 60 60 ILE CG1 C 13 30.109 0.01 . 1 . . . . 60 ILE CG1 . 17293 1 613 . 1 1 60 60 ILE CD1 C 13 15.982 0.01 . 1 . . . . 60 ILE CD1 . 17293 1 614 . 1 1 61 61 GLU H H 1 7.299 0.007 . 1 . . . . 61 GLU H . 17293 1 615 . 1 1 61 61 GLU HA H 1 4.086 0.007 . 1 . . . . 61 GLU HA . 17293 1 616 . 1 1 61 61 GLU HB2 H 1 1.924 0.007 . 2 . . . . 61 GLU HB2 . 17293 1 617 . 1 1 61 61 GLU HB3 H 1 1.905 0.007 . 2 . . . . 61 GLU HB3 . 17293 1 618 . 1 1 61 61 GLU HG2 H 1 2.042 0.007 . 2 . . . . 61 GLU HG2 . 17293 1 619 . 1 1 61 61 GLU HG3 H 1 2.031 0.007 . 2 . . . . 61 GLU HG3 . 17293 1 620 . 1 1 61 61 GLU CA C 13 56.700 0.01 . 1 . . . . 61 GLU CA . 17293 1 621 . 1 1 61 61 GLU CB C 13 30.400 0.01 . 1 . . . . 61 GLU CB . 17293 1 622 . 1 1 61 61 GLU CG C 13 36.390 0.01 . 1 . . . . 61 GLU CG . 17293 1 623 . 1 1 61 61 GLU N N 15 117.335 0.01 . 1 . . . . 61 GLU N . 17293 1 624 . 1 1 62 62 ILE H H 1 8.038 0.007 . 1 . . . . 62 ILE H . 17293 1 625 . 1 1 62 62 ILE HA H 1 3.541 0.007 . 1 . . . . 62 ILE HA . 17293 1 626 . 1 1 62 62 ILE HB H 1 1.772 0.007 . 1 . . . . 62 ILE HB . 17293 1 627 . 1 1 62 62 ILE HG12 H 1 1.157 0.007 . 1 . . . . 62 ILE HG12 . 17293 1 628 . 1 1 62 62 ILE HG13 H 1 1.157 0.007 . 1 . . . . 62 ILE HG13 . 17293 1 629 . 1 1 62 62 ILE HG21 H 1 0.850 0.007 . 1 . . . . 62 ILE QG2 . 17293 1 630 . 1 1 62 62 ILE HG22 H 1 0.850 0.007 . 1 . . . . 62 ILE QG2 . 17293 1 631 . 1 1 62 62 ILE HG23 H 1 0.850 0.007 . 1 . . . . 62 ILE QG2 . 17293 1 632 . 1 1 62 62 ILE HD11 H 1 0.798 0.007 . 1 . . . . 62 ILE QD1 . 17293 1 633 . 1 1 62 62 ILE HD12 H 1 0.798 0.007 . 1 . . . . 62 ILE QD1 . 17293 1 634 . 1 1 62 62 ILE HD13 H 1 0.798 0.007 . 1 . . . . 62 ILE QD1 . 17293 1 635 . 1 1 62 62 ILE C C 13 177.387 0.01 . 1 . . . . 62 ILE C . 17293 1 636 . 1 1 62 62 ILE CA C 13 65.734 0.01 . 1 . . . . 62 ILE CA . 17293 1 637 . 1 1 62 62 ILE CB C 13 38.094 0.01 . 1 . . . . 62 ILE CB . 17293 1 638 . 1 1 62 62 ILE CG1 C 13 29.495 0.01 . 1 . . . . 62 ILE CG1 . 17293 1 639 . 1 1 62 62 ILE CG2 C 13 17.210 0.01 . 1 . . . . 62 ILE CG2 . 17293 1 640 . 1 1 62 62 ILE CD1 C 13 14.139 0.01 . 1 . . . . 62 ILE CD1 . 17293 1 641 . 1 1 63 63 ASP H H 1 9.170 0.007 . 1 . . . . 63 ASP H . 17293 1 642 . 1 1 63 63 ASP HA H 1 4.227 0.007 . 1 . . . . 63 ASP HA . 17293 1 643 . 1 1 63 63 ASP HB2 H 1 2.735 0.007 . 2 . . . . 63 ASP HB2 . 17293 1 644 . 1 1 63 63 ASP HB3 H 1 2.529 0.007 . 2 . . . . 63 ASP HB3 . 17293 1 645 . 1 1 63 63 ASP C C 13 178.994 0.01 . 1 . . . . 63 ASP C . 17293 1 646 . 1 1 63 63 ASP CA C 13 57.749 0.01 . 1 . . . . 63 ASP CA . 17293 1 647 . 1 1 63 63 ASP CB C 13 40.000 0.01 . 1 . . . . 63 ASP CB . 17293 1 648 . 1 1 63 63 ASP N N 15 120.531 0.01 . 1 . . . . 63 ASP N . 17293 1 649 . 1 1 64 64 GLN H H 1 7.974 0.007 . 1 . . . . 64 GLN H . 17293 1 650 . 1 1 64 64 GLN HA H 1 3.518 0.007 . 1 . . . . 64 GLN HA . 17293 1 651 . 1 1 64 64 GLN HB2 H 1 2.102 0.007 . 2 . . . . 64 GLN HB2 . 17293 1 652 . 1 1 64 64 GLN HB3 H 1 2.085 0.007 . 2 . . . . 64 GLN HB3 . 17293 1 653 . 1 1 64 64 GLN HG2 H 1 2.245 0.007 . 2 . . . . 64 GLN HG2 . 17293 1 654 . 1 1 64 64 GLN HG3 H 1 2.406 0.007 . 2 . . . . 64 GLN HG3 . 17293 1 655 . 1 1 64 64 GLN HE21 H 1 7.217 0.007 . 2 . . . . 64 GLN HE21 . 17293 1 656 . 1 1 64 64 GLN HE22 H 1 6.799 0.007 . 2 . . . . 64 GLN HE22 . 17293 1 657 . 1 1 64 64 GLN C C 13 178.653 0.01 . 1 . . . . 64 GLN C . 17293 1 658 . 1 1 64 64 GLN CA C 13 58.900 0.01 . 1 . . . . 64 GLN CA . 17293 1 659 . 1 1 64 64 GLN CB C 13 28.400 0.01 . 1 . . . . 64 GLN CB . 17293 1 660 . 1 1 64 64 GLN N N 15 118.970 0.01 . 1 . . . . 64 GLN N . 17293 1 661 . 1 1 64 64 GLN NE2 N 15 110.817 0.01 . 1 . . . . 64 GLN NE2 . 17293 1 662 . 1 1 65 65 ALA H H 1 8.111 0.007 . 1 . . . . 65 ALA H . 17293 1 663 . 1 1 65 65 ALA HA H 1 4.389 0.007 . 1 . . . . 65 ALA HA . 17293 1 664 . 1 1 65 65 ALA HB1 H 1 1.653 0.007 . 1 . . . . 65 ALA QB . 17293 1 665 . 1 1 65 65 ALA HB2 H 1 1.653 0.007 . 1 . . . . 65 ALA QB . 17293 1 666 . 1 1 65 65 ALA HB3 H 1 1.653 0.007 . 1 . . . . 65 ALA QB . 17293 1 667 . 1 1 65 65 ALA C C 13 179.213 0.01 . 1 . . . . 65 ALA C . 17293 1 668 . 1 1 65 65 ALA CA C 13 54.900 0.01 . 1 . . . . 65 ALA CA . 17293 1 669 . 1 1 65 65 ALA CB C 13 19.500 0.01 . 1 . . . . 65 ALA CB . 17293 1 670 . 1 1 65 65 ALA N N 15 121.648 0.01 . 1 . . . . 65 ALA N . 17293 1 671 . 1 1 66 66 TRP H H 1 7.926 0.007 . 1 . . . . 66 TRP H . 17293 1 672 . 1 1 66 66 TRP HA H 1 4.175 0.007 . 1 . . . . 66 TRP HA . 17293 1 673 . 1 1 66 66 TRP HB2 H 1 2.609 0.007 . 2 . . . . 66 TRP HB2 . 17293 1 674 . 1 1 66 66 TRP HB3 H 1 2.594 0.007 . 2 . . . . 66 TRP HB3 . 17293 1 675 . 1 1 66 66 TRP HE1 H 1 9.428 0.007 . 1 . . . . 66 TRP HE1 . 17293 1 676 . 1 1 66 66 TRP C C 13 178.069 0.01 . 1 . . . . 66 TRP C . 17293 1 677 . 1 1 66 66 TRP CA C 13 57.900 0.01 . 1 . . . . 66 TRP CA . 17293 1 678 . 1 1 66 66 TRP CB C 13 31.300 0.01 . 1 . . . . 66 TRP CB . 17293 1 679 . 1 1 66 66 TRP N N 15 117.001 0.01 . 1 . . . . 66 TRP N . 17293 1 680 . 1 1 66 66 TRP NE1 N 15 126.411 0.01 . 1 . . . . 66 TRP NE1 . 17293 1 681 . 1 1 67 67 LYS H H 1 7.758 0.007 . 1 . . . . 67 LYS H . 17293 1 682 . 1 1 67 67 LYS HA H 1 4.142 0.007 . 1 . . . . 67 LYS HA . 17293 1 683 . 1 1 67 67 LYS HB2 H 1 1.529 0.007 . 2 . . . . 67 LYS HB2 . 17293 1 684 . 1 1 67 67 LYS HB3 H 1 1.537 0.007 . 2 . . . . 67 LYS HB3 . 17293 1 685 . 1 1 67 67 LYS HG2 H 1 1.071 0.007 . 2 . . . . 67 LYS HG2 . 17293 1 686 . 1 1 67 67 LYS HG3 H 1 1.081 0.007 . 2 . . . . 67 LYS HG3 . 17293 1 687 . 1 1 67 67 LYS HD2 H 1 1.251 0.007 . 2 . . . . 67 LYS HD2 . 17293 1 688 . 1 1 67 67 LYS HD3 H 1 1.262 0.007 . 2 . . . . 67 LYS HD3 . 17293 1 689 . 1 1 67 67 LYS HE2 H 1 3.303 0.007 . 2 . . . . 67 LYS HE2 . 17293 1 690 . 1 1 67 67 LYS HE3 H 1 3.322 0.007 . 2 . . . . 67 LYS HE3 . 17293 1 691 . 1 1 67 67 LYS C C 13 177.874 0.01 . 1 . . . . 67 LYS C . 17293 1 692 . 1 1 67 67 LYS CA C 13 59.300 0.01 . 1 . . . . 67 LYS CA . 17293 1 693 . 1 1 67 67 LYS N N 15 121.648 0.01 . 1 . . . . 67 LYS N . 17293 1 694 . 1 1 68 68 ILE H H 1 6.648 0.007 . 1 . . . . 68 ILE H . 17293 1 695 . 1 1 68 68 ILE HA H 1 3.449 0.007 . 1 . . . . 68 ILE HA . 17293 1 696 . 1 1 68 68 ILE HB H 1 0.774 0.007 . 1 . . . . 68 ILE HB . 17293 1 697 . 1 1 68 68 ILE HG12 H 1 0.647 0.007 . 1 . . . . 68 ILE HG12 . 17293 1 698 . 1 1 68 68 ILE HG13 H 1 0.647 0.007 . 1 . . . . 68 ILE HG13 . 17293 1 699 . 1 1 68 68 ILE HG21 H 1 0.193 0.007 . 1 . . . . 68 ILE QG2 . 17293 1 700 . 1 1 68 68 ILE HG22 H 1 0.193 0.007 . 1 . . . . 68 ILE QG2 . 17293 1 701 . 1 1 68 68 ILE HG23 H 1 0.193 0.007 . 1 . . . . 68 ILE QG2 . 17293 1 702 . 1 1 68 68 ILE HD11 H 1 0.046 0.007 . 1 . . . . 68 ILE QD1 . 17293 1 703 . 1 1 68 68 ILE HD12 H 1 0.046 0.007 . 1 . . . . 68 ILE QD1 . 17293 1 704 . 1 1 68 68 ILE HD13 H 1 0.046 0.007 . 1 . . . . 68 ILE QD1 . 17293 1 705 . 1 1 68 68 ILE C C 13 177.168 0.01 . 1 . . . . 68 ILE C . 17293 1 706 . 1 1 68 68 ILE CA C 13 61.819 0.01 . 1 . . . . 68 ILE CA . 17293 1 707 . 1 1 68 68 ILE CB C 13 36.990 0.01 . 1 . . . . 68 ILE CB . 17293 1 708 . 1 1 68 68 ILE CG1 C 13 27.038 0.01 . 1 . . . . 68 ILE CG1 . 17293 1 709 . 1 1 68 68 ILE CG2 C 13 16.596 0.01 . 1 . . . . 68 ILE CG2 . 17293 1 710 . 1 1 68 68 ILE CD1 C 13 10.454 0.01 . 1 . . . . 68 ILE CD1 . 17293 1 711 . 1 1 68 68 ILE N N 15 116.180 0.01 . 1 . . . . 68 ILE N . 17293 1 712 . 1 1 69 69 LEU H H 1 7.951 0.007 . 1 . . . . 69 LEU H . 17293 1 713 . 1 1 69 69 LEU HA H 1 3.571 0.007 . 1 . . . . 69 LEU HA . 17293 1 714 . 1 1 69 69 LEU HB2 H 1 1.273 0.007 . 2 . . . . 69 LEU HB2 . 17293 1 715 . 1 1 69 69 LEU HB3 H 1 1.058 0.007 . 2 . . . . 69 LEU HB3 . 17293 1 716 . 1 1 69 69 LEU HG H 1 0.850 0.007 . 1 . . . . 69 LEU HG . 17293 1 717 . 1 1 69 69 LEU HD11 H 1 0.094 0.007 . 2 . . . . 69 LEU QD1 . 17293 1 718 . 1 1 69 69 LEU HD12 H 1 0.094 0.007 . 2 . . . . 69 LEU QD1 . 17293 1 719 . 1 1 69 69 LEU HD13 H 1 0.094 0.007 . 2 . . . . 69 LEU QD1 . 17293 1 720 . 1 1 69 69 LEU HD21 H 1 0.361 0.007 . 2 . . . . 69 LEU QD2 . 17293 1 721 . 1 1 69 69 LEU HD22 H 1 0.361 0.007 . 2 . . . . 69 LEU QD2 . 17293 1 722 . 1 1 69 69 LEU HD23 H 1 0.361 0.007 . 2 . . . . 69 LEU QD2 . 17293 1 723 . 1 1 69 69 LEU CA C 13 56.520 0.01 . 1 . . . . 69 LEU CA . 17293 1 724 . 1 1 69 69 LEU CB C 13 42.393 0.01 . 1 . . . . 69 LEU CB . 17293 1 725 . 1 1 69 69 LEU CD1 C 13 25.809 0.01 . 1 . . . . 69 LEU CD1 . 17293 1 726 . 1 1 69 69 LEU CD2 C 13 23.353 0.01 . 1 . . . . 69 LEU CD2 . 17293 1 727 . 1 1 69 69 LEU N N 15 115.090 0.01 . 1 . . . . 69 LEU N . 17293 1 728 . 1 1 70 70 GLY H H 1 7.282 0.007 . 1 . . . . 70 GLY H . 17293 1 729 . 1 1 70 70 GLY HA2 H 1 3.568 0.007 . 1 . . . . 70 GLY HA2 . 17293 1 730 . 1 1 70 70 GLY HA3 H 1 3.568 0.007 . 1 . . . . 70 GLY HA3 . 17293 1 731 . 1 1 70 70 GLY C C 13 172.932 0.01 . 1 . . . . 70 GLY C . 17293 1 732 . 1 1 70 70 GLY CA C 13 43.622 0.01 . 1 . . . . 70 GLY CA . 17293 1 733 . 1 1 71 71 ASN H H 1 6.220 0.007 . 1 . . . . 71 ASN H . 17293 1 734 . 1 1 71 71 ASN HA H 1 4.574 0.007 . 1 . . . . 71 ASN HA . 17293 1 735 . 1 1 71 71 ASN HB2 H 1 2.829 0.007 . 2 . . . . 71 ASN HB2 . 17293 1 736 . 1 1 71 71 ASN HB3 H 1 2.406 0.007 . 2 . . . . 71 ASN HB3 . 17293 1 737 . 1 1 71 71 ASN HD21 H 1 7.424 0.007 . 2 . . . . 71 ASN HD21 . 17293 1 738 . 1 1 71 71 ASN HD22 H 1 6.927 0.007 . 2 . . . . 71 ASN HD22 . 17293 1 739 . 1 1 71 71 ASN CA C 13 54.607 0.01 . 1 . . . . 71 ASN CA . 17293 1 740 . 1 1 71 71 ASN CB C 13 41.200 0.01 . 1 . . . . 71 ASN CB . 17293 1 741 . 1 1 71 71 ASN N N 15 117.830 0.01 . 1 . . . . 71 ASN N . 17293 1 742 . 1 1 71 71 ASN ND2 N 15 114.114 0.01 . 1 . . . . 71 ASN ND2 . 17293 1 743 . 1 1 72 72 GLU H H 1 8.166 0.007 . 1 . . . . 72 GLU H . 17293 1 744 . 1 1 72 72 GLU HA H 1 4.386 0.007 . 1 . . . . 72 GLU HA . 17293 1 745 . 1 1 72 72 GLU HB2 H 1 1.950 0.007 . 2 . . . . 72 GLU HB2 . 17293 1 746 . 1 1 72 72 GLU HB3 H 1 1.926 0.007 . 2 . . . . 72 GLU HB3 . 17293 1 747 . 1 1 72 72 GLU HG2 H 1 2.569 0.007 . 2 . . . . 72 GLU HG2 . 17293 1 748 . 1 1 72 72 GLU HG3 H 1 2.544 0.007 . 2 . . . . 72 GLU HG3 . 17293 1 749 . 1 1 72 72 GLU C C 13 176.316 0.01 . 1 . . . . 72 GLU C . 17293 1 750 . 1 1 72 72 GLU CA C 13 56.600 0.01 . 1 . . . . 72 GLU CA . 17293 1 751 . 1 1 72 72 GLU CB C 13 30.400 0.01 . 1 . . . . 72 GLU CB . 17293 1 752 . 1 1 72 72 GLU CG C 13 36.390 0.01 . 1 . . . . 72 GLU CG . 17293 1 753 . 1 1 73 73 GLU H H 1 8.319 0.007 . 1 . . . . 73 GLU H . 17293 1 754 . 1 1 73 73 GLU HA H 1 4.215 0.007 . 1 . . . . 73 GLU HA . 17293 1 755 . 1 1 73 73 GLU HB2 H 1 2.048 0.007 . 2 . . . . 73 GLU HB2 . 17293 1 756 . 1 1 73 73 GLU HB3 H 1 2.014 0.007 . 2 . . . . 73 GLU HB3 . 17293 1 757 . 1 1 73 73 GLU HG2 H 1 2.196 0.007 . 2 . . . . 73 GLU HG2 . 17293 1 758 . 1 1 73 73 GLU HG3 H 1 2.185 0.007 . 2 . . . . 73 GLU HG3 . 17293 1 759 . 1 1 73 73 GLU C C 13 174.149 0.01 . 1 . . . . 73 GLU C . 17293 1 760 . 1 1 73 73 GLU CA C 13 57.500 0.01 . 1 . . . . 73 GLU CA . 17293 1 761 . 1 1 73 73 GLU CB C 13 29.900 0.01 . 1 . . . . 73 GLU CB . 17293 1 762 . 1 1 73 73 GLU CG C 13 35.218 0.01 . 1 . . . . 73 GLU CG . 17293 1 763 . 1 1 73 73 GLU N N 15 121.914 0.01 . 1 . . . . 73 GLU N . 17293 1 764 . 1 1 74 74 THR H H 1 7.583 0.007 . 1 . . . . 74 THR H . 17293 1 765 . 1 1 74 74 THR HA H 1 4.054 0.007 . 1 . . . . 74 THR HA . 17293 1 766 . 1 1 74 74 THR HB H 1 4.164 0.007 . 1 . . . . 74 THR HB . 17293 1 767 . 1 1 74 74 THR HG21 H 1 1.091 0.007 . 1 . . . . 74 THR QG2 . 17293 1 768 . 1 1 74 74 THR HG22 H 1 1.091 0.007 . 1 . . . . 74 THR QG2 . 17293 1 769 . 1 1 74 74 THR HG23 H 1 1.091 0.007 . 1 . . . . 74 THR QG2 . 17293 1 770 . 1 1 74 74 THR C C 13 175.683 0.01 . 1 . . . . 74 THR C . 17293 1 771 . 1 1 74 74 THR CA C 13 65.120 0.01 . 1 . . . . 74 THR CA . 17293 1 772 . 1 1 74 74 THR CB C 13 68.191 0.01 . 1 . . . . 74 THR CB . 17293 1 773 . 1 1 74 74 THR CG2 C 13 22.738 0.01 . 1 . . . . 74 THR CG2 . 17293 1 774 . 1 1 74 74 THR N N 15 111.038 0.01 . 1 . . . . 74 THR N . 17293 1 775 . 1 1 75 75 LYS H H 1 8.254 0.007 . 1 . . . . 75 LYS H . 17293 1 776 . 1 1 75 75 LYS HB2 H 1 1.872 0.007 . 1 . . . . 75 LYS HB2 . 17293 1 777 . 1 1 75 75 LYS HB3 H 1 1.872 0.007 . 1 . . . . 75 LYS HB3 . 17293 1 778 . 1 1 75 75 LYS HG2 H 1 1.398 0.007 . 1 . . . . 75 LYS HG2 . 17293 1 779 . 1 1 75 75 LYS HG3 H 1 1.398 0.007 . 1 . . . . 75 LYS HG3 . 17293 1 780 . 1 1 75 75 LYS HD2 H 1 1.854 0.007 . 1 . . . . 75 LYS HD2 . 17293 1 781 . 1 1 75 75 LYS HD3 H 1 1.854 0.007 . 1 . . . . 75 LYS HD3 . 17293 1 782 . 1 1 75 75 LYS HE2 H 1 2.872 0.007 . 1 . . . . 75 LYS HE2 . 17293 1 783 . 1 1 75 75 LYS HE3 H 1 2.872 0.007 . 1 . . . . 75 LYS HE3 . 17293 1 784 . 1 1 75 75 LYS C C 13 177.071 0.01 . 1 . . . . 75 LYS C . 17293 1 785 . 1 1 75 75 LYS CA C 13 62.400 0.01 . 1 . . . . 75 LYS CA . 17293 1 786 . 1 1 75 75 LYS CB C 13 33.000 0.01 . 1 . . . . 75 LYS CB . 17293 1 787 . 1 1 75 75 LYS CG C 13 20.911 0.01 . 1 . . . . 75 LYS CG . 17293 1 788 . 1 1 75 75 LYS CD C 13 27.921 0.01 . 1 . . . . 75 LYS CD . 17293 1 789 . 1 1 75 75 LYS CE C 13 40.157 0.01 . 1 . . . . 75 LYS CE . 17293 1 790 . 1 1 75 75 LYS N N 15 122.742 0.01 . 1 . . . . 75 LYS N . 17293 1 791 . 1 1 76 76 ARG H H 1 8.550 0.007 . 1 . . . . 76 ARG H . 17293 1 792 . 1 1 76 76 ARG HB2 H 1 1.865 0.007 . 1 . . . . 76 ARG HB2 . 17293 1 793 . 1 1 76 76 ARG HB3 H 1 1.865 0.007 . 1 . . . . 76 ARG HB3 . 17293 1 794 . 1 1 76 76 ARG HG2 H 1 1.547 0.007 . 1 . . . . 76 ARG HG2 . 17293 1 795 . 1 1 76 76 ARG HG3 H 1 1.547 0.007 . 1 . . . . 76 ARG HG3 . 17293 1 796 . 1 1 76 76 ARG HD2 H 1 3.091 0.007 . 1 . . . . 76 ARG HD2 . 17293 1 797 . 1 1 76 76 ARG HD3 H 1 3.091 0.007 . 1 . . . . 76 ARG HD3 . 17293 1 798 . 1 1 76 76 ARG CA C 13 56.800 0.01 . 1 . . . . 76 ARG CA . 17293 1 799 . 1 1 76 76 ARG CB C 13 30.400 0.01 . 1 . . . . 76 ARG CB . 17293 1 800 . 1 1 76 76 ARG N N 15 124.930 0.01 . 1 . . . . 76 ARG N . 17293 1 801 . 1 1 77 77 GLU HA H 1 3.883 0.007 . 1 . . . . 77 GLU HA . 17293 1 802 . 1 1 77 77 GLU HB2 H 1 2.031 0.007 . 1 . . . . 77 GLU HB2 . 17293 1 803 . 1 1 77 77 GLU HB3 H 1 2.031 0.007 . 1 . . . . 77 GLU HB3 . 17293 1 804 . 1 1 77 77 GLU HG2 H 1 2.298 0.007 . 2 . . . . 77 GLU HG2 . 17293 1 805 . 1 1 77 77 GLU HG3 H 1 2.266 0.007 . 2 . . . . 77 GLU HG3 . 17293 1 806 . 1 1 77 77 GLU C C 13 177.168 0.01 . 1 . . . . 77 GLU C . 17293 1 807 . 1 1 77 77 GLU CG C 13 35.023 0.01 . 1 . . . . 77 GLU CG . 17293 1 808 . 1 1 78 78 TYR H H 1 8.305 0.007 . 1 . . . . 78 TYR H . 17293 1 809 . 1 1 78 78 TYR HA H 1 4.313 0.007 . 1 . . . . 78 TYR HA . 17293 1 810 . 1 1 78 78 TYR HB2 H 1 3.106 0.007 . 2 . . . . 78 TYR HB2 . 17293 1 811 . 1 1 78 78 TYR HB3 H 1 2.975 0.007 . 2 . . . . 78 TYR HB3 . 17293 1 812 . 1 1 78 78 TYR C C 13 177.314 0.01 . 1 . . . . 78 TYR C . 17293 1 813 . 1 1 78 78 TYR CA C 13 62.500 0.01 . 1 . . . . 78 TYR CA . 17293 1 814 . 1 1 78 78 TYR CB C 13 38.708 0.01 . 1 . . . . 78 TYR CB . 17293 1 815 . 1 1 78 78 TYR N N 15 116.727 0.01 . 1 . . . . 78 TYR N . 17293 1 816 . 1 1 79 79 ASP H H 1 7.926 0.007 . 1 . . . . 79 ASP H . 17293 1 817 . 1 1 79 79 ASP HB2 H 1 2.673 0.007 . 2 . . . . 79 ASP HB2 . 17293 1 818 . 1 1 79 79 ASP HB3 H 1 2.680 0.007 . 2 . . . . 79 ASP HB3 . 17293 1 819 . 1 1 79 79 ASP C C 13 177.996 0.01 . 1 . . . . 79 ASP C . 17293 1 820 . 1 1 79 79 ASP CA C 13 57.400 0.01 . 1 . . . . 79 ASP CA . 17293 1 821 . 1 1 79 79 ASP CB C 13 41.284 0.01 . 1 . . . . 79 ASP CB . 17293 1 822 . 1 1 79 79 ASP N N 15 123.116 0.01 . 1 . . . . 79 ASP N . 17293 1 823 . 1 1 80 80 LEU H H 1 7.996 0.007 . 1 . . . . 80 LEU H . 17293 1 824 . 1 1 80 80 LEU HA H 1 4.055 0.007 . 1 . . . . 80 LEU HA . 17293 1 825 . 1 1 80 80 LEU HB2 H 1 1.665 0.007 . 2 . . . . 80 LEU HB2 . 17293 1 826 . 1 1 80 80 LEU HB3 H 1 1.573 0.007 . 2 . . . . 80 LEU HB3 . 17293 1 827 . 1 1 80 80 LEU HG H 1 1.573 0.007 . 1 . . . . 80 LEU HG . 17293 1 828 . 1 1 80 80 LEU HD11 H 1 0.868 0.007 . 2 . . . . 80 LEU QD1 . 17293 1 829 . 1 1 80 80 LEU HD12 H 1 0.868 0.007 . 2 . . . . 80 LEU QD1 . 17293 1 830 . 1 1 80 80 LEU HD13 H 1 0.868 0.007 . 2 . . . . 80 LEU QD1 . 17293 1 831 . 1 1 80 80 LEU HD21 H 1 0.703 0.007 . 2 . . . . 80 LEU QD2 . 17293 1 832 . 1 1 80 80 LEU HD22 H 1 0.703 0.007 . 2 . . . . 80 LEU QD2 . 17293 1 833 . 1 1 80 80 LEU HD23 H 1 0.703 0.007 . 2 . . . . 80 LEU QD2 . 17293 1 834 . 1 1 80 80 LEU CB C 13 42.100 0.01 . 1 . . . . 80 LEU CB . 17293 1 835 . 1 1 80 80 LEU N N 15 120.866 0.01 . 1 . . . . 80 LEU N . 17293 1 836 . 1 1 81 81 GLN H H 1 7.539 0.007 . 1 . . . . 81 GLN H . 17293 1 837 . 1 1 81 81 GLN HA H 1 4.180 0.007 . 1 . . . . 81 GLN HA . 17293 1 838 . 1 1 81 81 GLN HB2 H 1 2.359 0.007 . 2 . . . . 81 GLN HB2 . 17293 1 839 . 1 1 81 81 GLN HB3 H 1 2.128 0.007 . 2 . . . . 81 GLN HB3 . 17293 1 840 . 1 1 81 81 GLN HG2 H 1 2.038 0.007 . 1 . . . . 81 GLN HG2 . 17293 1 841 . 1 1 81 81 GLN HG3 H 1 2.038 0.007 . 1 . . . . 81 GLN HG3 . 17293 1 842 . 1 1 81 81 GLN HE21 H 1 6.855 0.007 . 2 . . . . 81 GLN HE21 . 17293 1 843 . 1 1 81 81 GLN HE22 H 1 6.697 0.007 . 2 . . . . 81 GLN HE22 . 17293 1 844 . 1 1 81 81 GLN C C 13 177.874 0.01 . 1 . . . . 81 GLN C . 17293 1 845 . 1 1 81 81 GLN CA C 13 60.206 0.01 . 1 . . . . 81 GLN CA . 17293 1 846 . 1 1 81 81 GLN CB C 13 29.600 0.01 . 1 . . . . 81 GLN CB . 17293 1 847 . 1 1 81 81 GLN CG C 13 34.178 0.01 . 1 . . . . 81 GLN CG . 17293 1 848 . 1 1 81 81 GLN NE2 N 15 110.426 0.01 . 1 . . . . 81 GLN NE2 . 17293 1 849 . 1 1 82 82 ARG H H 1 7.699 0.007 . 1 . . . . 82 ARG H . 17293 1 850 . 1 1 82 82 ARG HA H 1 4.102 0.007 . 1 . . . . 82 ARG HA . 17293 1 851 . 1 1 82 82 ARG HB2 H 1 1.897 0.007 . 1 . . . . 82 ARG HB2 . 17293 1 852 . 1 1 82 82 ARG HB3 H 1 1.897 0.007 . 1 . . . . 82 ARG HB3 . 17293 1 853 . 1 1 82 82 ARG HG2 H 1 1.570 0.007 . 2 . . . . 82 ARG HG2 . 17293 1 854 . 1 1 82 82 ARG HG3 H 1 1.515 0.007 . 2 . . . . 82 ARG HG3 . 17293 1 855 . 1 1 82 82 ARG HD2 H 1 3.178 0.007 . 1 . . . . 82 ARG HD2 . 17293 1 856 . 1 1 82 82 ARG HD3 H 1 3.178 0.007 . 1 . . . . 82 ARG HD3 . 17293 1 857 . 1 1 82 82 ARG C C 13 178.434 0.01 . 1 . . . . 82 ARG C . 17293 1 858 . 1 1 82 82 ARG CB C 13 29.800 0.01 . 1 . . . . 82 ARG CB . 17293 1 859 . 1 1 82 82 ARG N N 15 117.820 0.01 . 1 . . . . 82 ARG N . 17293 1 860 . 1 1 83 83 CYS H H 1 8.315 0.007 . 1 . . . . 83 CYS H . 17293 1 861 . 1 1 83 83 CYS HA H 1 4.280 0.007 . 1 . . . . 83 CYS HA . 17293 1 862 . 1 1 83 83 CYS HB2 H 1 2.908 0.007 . 2 . . . . 83 CYS HB2 . 17293 1 863 . 1 1 83 83 CYS HB3 H 1 2.894 0.007 . 2 . . . . 83 CYS HB3 . 17293 1 864 . 1 1 83 83 CYS C C 13 176.681 0.01 . 1 . . . . 83 CYS C . 17293 1 865 . 1 1 83 83 CYS CA C 13 60.820 0.01 . 1 . . . . 83 CYS CA . 17293 1 866 . 1 1 83 83 CYS CB C 13 27.652 0.01 . 1 . . . . 83 CYS CB . 17293 1 867 . 1 1 83 83 CYS N N 15 120.008 0.01 . 1 . . . . 83 CYS N . 17293 1 868 . 1 1 84 84 GLU H H 1 8.023 0.007 . 1 . . . . 84 GLU H . 17293 1 869 . 1 1 84 84 GLU HB2 H 1 1.761 0.007 . 2 . . . . 84 GLU HB2 . 17293 1 870 . 1 1 84 84 GLU HB3 H 1 1.751 0.007 . 2 . . . . 84 GLU HB3 . 17293 1 871 . 1 1 84 84 GLU HG2 H 1 1.891 0.007 . 2 . . . . 84 GLU HG2 . 17293 1 872 . 1 1 84 84 GLU HG3 H 1 1.878 0.007 . 2 . . . . 84 GLU HG3 . 17293 1 873 . 1 1 84 84 GLU C C 13 176.316 0.01 . 1 . . . . 84 GLU C . 17293 1 874 . 1 1 84 84 GLU CA C 13 57.900 0.01 . 1 . . . . 84 GLU CA . 17293 1 875 . 1 1 84 84 GLU CB C 13 29.800 0.01 . 1 . . . . 84 GLU CB . 17293 1 876 . 1 1 84 84 GLU CG C 13 36.390 0.01 . 1 . . . . 84 GLU CG . 17293 1 877 . 1 1 84 84 GLU N N 15 119.461 0.01 . 1 . . . . 84 GLU N . 17293 1 878 . 1 1 85 85 ASP H H 1 8.199 0.007 . 1 . . . . 85 ASP H . 17293 1 879 . 1 1 85 85 ASP HA H 1 4.406 0.007 . 1 . . . . 85 ASP HA . 17293 1 880 . 1 1 85 85 ASP HB2 H 1 2.586 0.007 . 2 . . . . 85 ASP HB2 . 17293 1 881 . 1 1 85 85 ASP HB3 H 1 2.569 0.007 . 2 . . . . 85 ASP HB3 . 17293 1 882 . 1 1 85 85 ASP C C 13 176.779 0.01 . 1 . . . . 85 ASP C . 17293 1 883 . 1 1 85 85 ASP CA C 13 59.900 0.01 . 1 . . . . 85 ASP CA . 17293 1 884 . 1 1 85 85 ASP CB C 13 41.100 0.01 . 1 . . . . 85 ASP CB . 17293 1 885 . 1 1 85 85 ASP N N 15 120.639 0.01 . 1 . . . . 85 ASP N . 17293 1 886 . 1 1 86 86 ASP H H 1 8.038 0.007 . 1 . . . . 86 ASP H . 17293 1 887 . 1 1 86 86 ASP HA H 1 4.429 0.007 . 1 . . . . 86 ASP HA . 17293 1 888 . 1 1 86 86 ASP HB2 H 1 2.613 0.007 . 2 . . . . 86 ASP HB2 . 17293 1 889 . 1 1 86 86 ASP HB3 H 1 2.596 0.007 . 2 . . . . 86 ASP HB3 . 17293 1 890 . 1 1 86 86 ASP C C 13 177.168 0.01 . 1 . . . . 86 ASP C . 17293 1 891 . 1 1 86 86 ASP CA C 13 55.600 0.01 . 1 . . . . 86 ASP CA . 17293 1 892 . 1 1 86 86 ASP CB C 13 41.000 0.01 . 1 . . . . 86 ASP CB . 17293 1 893 . 1 1 86 86 ASP N N 15 120.261 0.01 . 1 . . . . 86 ASP N . 17293 1 894 . 1 1 87 87 LEU H H 1 7.919 0.007 . 1 . . . . 87 LEU H . 17293 1 895 . 1 1 87 87 LEU HA H 1 4.118 0.007 . 1 . . . . 87 LEU HA . 17293 1 896 . 1 1 87 87 LEU HB2 H 1 1.601 0.007 . 2 . . . . 87 LEU HB2 . 17293 1 897 . 1 1 87 87 LEU HB3 H 1 1.614 0.007 . 2 . . . . 87 LEU HB3 . 17293 1 898 . 1 1 87 87 LEU HG H 1 1.515 0.007 . 1 . . . . 87 LEU HG . 17293 1 899 . 1 1 87 87 LEU HD11 H 1 0.768 0.007 . 2 . . . . 87 LEU QD1 . 17293 1 900 . 1 1 87 87 LEU HD12 H 1 0.768 0.007 . 2 . . . . 87 LEU QD1 . 17293 1 901 . 1 1 87 87 LEU HD13 H 1 0.768 0.007 . 2 . . . . 87 LEU QD1 . 17293 1 902 . 1 1 87 87 LEU HD21 H 1 0.764 0.007 . 2 . . . . 87 LEU QD2 . 17293 1 903 . 1 1 87 87 LEU HD22 H 1 0.764 0.007 . 2 . . . . 87 LEU QD2 . 17293 1 904 . 1 1 87 87 LEU HD23 H 1 0.764 0.007 . 2 . . . . 87 LEU QD2 . 17293 1 905 . 1 1 87 87 LEU C C 13 177.972 0.01 . 1 . . . . 87 LEU C . 17293 1 906 . 1 1 87 87 LEU CA C 13 56.000 0.01 . 1 . . . . 87 LEU CA . 17293 1 907 . 1 1 87 87 LEU CB C 13 41.900 0.01 . 1 . . . . 87 LEU CB . 17293 1 908 . 1 1 87 87 LEU CG C 13 27.135 0.01 . 1 . . . . 87 LEU CG . 17293 1 909 . 1 1 87 87 LEU CD1 C 13 25.252 0.01 . 1 . . . . 87 LEU CD1 . 17293 1 910 . 1 1 87 87 LEU CD2 C 13 23.967 0.01 . 1 . . . . 87 LEU CD2 . 17293 1 911 . 1 1 87 87 LEU N N 15 121.352 0.01 . 1 . . . . 87 LEU N . 17293 1 912 . 1 1 88 88 ARG H H 1 7.927 0.007 . 1 . . . . 88 ARG H . 17293 1 913 . 1 1 88 88 ARG HA H 1 4.109 0.007 . 1 . . . . 88 ARG HA . 17293 1 914 . 1 1 88 88 ARG HB2 H 1 1.750 0.007 . 2 . . . . 88 ARG HB2 . 17293 1 915 . 1 1 88 88 ARG HB3 H 1 1.700 0.007 . 2 . . . . 88 ARG HB3 . 17293 1 916 . 1 1 88 88 ARG HG2 H 1 1.575 0.007 . 2 . . . . 88 ARG HG2 . 17293 1 917 . 1 1 88 88 ARG HG3 H 1 1.531 0.007 . 2 . . . . 88 ARG HG3 . 17293 1 918 . 1 1 88 88 ARG HD2 H 1 3.104 0.007 . 2 . . . . 88 ARG HD2 . 17293 1 919 . 1 1 88 88 ARG HD3 H 1 3.091 0.007 . 2 . . . . 88 ARG HD3 . 17293 1 920 . 1 1 88 88 ARG C C 13 176.730 0.01 . 1 . . . . 88 ARG C . 17293 1 921 . 1 1 88 88 ARG CA C 13 57.200 0.01 . 1 . . . . 88 ARG CA . 17293 1 922 . 1 1 88 88 ARG CB C 13 30.723 0.01 . 1 . . . . 88 ARG CB . 17293 1 923 . 1 1 88 88 ARG CG C 13 27.652 0.01 . 1 . . . . 88 ARG CG . 17293 1 924 . 1 1 88 88 ARG CD C 13 43.622 0.01 . 1 . . . . 88 ARG CD . 17293 1 925 . 1 1 88 88 ARG N N 15 119.563 0.01 . 1 . . . . 88 ARG N . 17293 1 926 . 1 1 89 89 ASN H H 1 8.035 0.007 . 1 . . . . 89 ASN H . 17293 1 927 . 1 1 89 89 ASN HA H 1 4.602 0.007 . 1 . . . . 89 ASN HA . 17293 1 928 . 1 1 89 89 ASN HB2 H 1 2.720 0.007 . 2 . . . . 89 ASN HB2 . 17293 1 929 . 1 1 89 89 ASN HB3 H 1 2.651 0.007 . 2 . . . . 89 ASN HB3 . 17293 1 930 . 1 1 89 89 ASN HD21 H 1 7.554 0.007 . 2 . . . . 89 ASN HD21 . 17293 1 931 . 1 1 89 89 ASN HD22 H 1 6.731 0.007 . 2 . . . . 89 ASN HD22 . 17293 1 932 . 1 1 89 89 ASN C C 13 176.560 0.01 . 1 . . . . 89 ASN C . 17293 1 933 . 1 1 89 89 ASN CA C 13 53.700 0.01 . 1 . . . . 89 ASN CA . 17293 1 934 . 1 1 89 89 ASN CB C 13 39.322 0.01 . 1 . . . . 89 ASN CB . 17293 1 935 . 1 1 89 89 ASN N N 15 118.914 0.01 . 1 . . . . 89 ASN N . 17293 1 936 . 1 1 89 89 ASN ND2 N 15 112.446 0.01 . 1 . . . . 89 ASN ND2 . 17293 1 937 . 1 1 90 90 VAL H H 1 7.812 0.007 . 1 . . . . 90 VAL H . 17293 1 938 . 1 1 90 90 VAL HA H 1 4.078 0.007 . 1 . . . . 90 VAL HA . 17293 1 939 . 1 1 90 90 VAL HB H 1 2.002 0.007 . 1 . . . . 90 VAL HB . 17293 1 940 . 1 1 90 90 VAL HG11 H 1 0.792 0.007 . 2 . . . . 90 VAL QG1 . 17293 1 941 . 1 1 90 90 VAL HG12 H 1 0.792 0.007 . 2 . . . . 90 VAL QG1 . 17293 1 942 . 1 1 90 90 VAL HG13 H 1 0.792 0.007 . 2 . . . . 90 VAL QG1 . 17293 1 943 . 1 1 90 90 VAL HG21 H 1 0.755 0.007 . 2 . . . . 90 VAL QG2 . 17293 1 944 . 1 1 90 90 VAL HG22 H 1 0.755 0.007 . 2 . . . . 90 VAL QG2 . 17293 1 945 . 1 1 90 90 VAL HG23 H 1 0.755 0.007 . 2 . . . . 90 VAL QG2 . 17293 1 946 . 1 1 90 90 VAL C C 13 176.048 0.01 . 1 . . . . 90 VAL C . 17293 1 947 . 1 1 90 90 VAL CA C 13 62.600 0.01 . 1 . . . . 90 VAL CA . 17293 1 948 . 1 1 90 90 VAL CB C 13 32.800 0.01 . 1 . . . . 90 VAL CB . 17293 1 949 . 1 1 90 90 VAL CG1 C 13 20.984 0.01 . 1 . . . . 90 VAL CG1 . 17293 1 950 . 1 1 90 90 VAL CG2 C 13 19.437 0.01 . 1 . . . . 90 VAL CG2 . 17293 1 951 . 1 1 90 90 VAL N N 15 119.353 0.01 . 1 . . . . 90 VAL N . 17293 1 952 . 1 1 91 91 GLY H H 1 7.996 0.007 . 1 . . . . 91 GLY H . 17293 1 953 . 1 1 91 91 GLY HA2 H 1 4.005 0.007 . 1 . . . . 91 GLY HA2 . 17293 1 954 . 1 1 91 91 GLY HA3 H 1 4.005 0.007 . 1 . . . . 91 GLY HA3 . 17293 1 955 . 1 1 91 91 GLY CA C 13 44.850 0.01 . 1 . . . . 91 GLY CA . 17293 1 956 . 1 1 91 91 GLY N N 15 111.594 0.01 . 1 . . . . 91 GLY N . 17293 1 957 . 1 1 92 92 PRO HA H 1 4.165 0.007 . 1 . . . . 92 PRO HA . 17293 1 958 . 1 1 92 92 PRO HB2 H 1 1.852 0.007 . 2 . . . . 92 PRO HB2 . 17293 1 959 . 1 1 92 92 PRO HB3 H 1 1.779 0.007 . 2 . . . . 92 PRO HB3 . 17293 1 960 . 1 1 92 92 PRO HG2 H 1 1.686 0.007 . 2 . . . . 92 PRO HG2 . 17293 1 961 . 1 1 92 92 PRO HG3 H 1 1.644 0.007 . 2 . . . . 92 PRO HG3 . 17293 1 962 . 1 1 92 92 PRO HD2 H 1 3.493 0.007 . 1 . . . . 92 PRO HD2 . 17293 1 963 . 1 1 92 92 PRO HD3 H 1 3.492 0.007 . 1 . . . . 92 PRO HD3 . 17293 1 964 . 1 1 92 92 PRO C C 13 177.972 0.01 . 1 . . . . 92 PRO C . 17293 1 965 . 1 1 92 92 PRO CA C 13 63.100 0.01 . 1 . . . . 92 PRO CA . 17293 1 966 . 1 1 92 92 PRO CB C 13 32.100 0.01 . 1 . . . . 92 PRO CB . 17293 1 967 . 1 1 92 92 PRO CG C 13 27.872 0.01 . 1 . . . . 92 PRO CG . 17293 1 968 . 1 1 92 92 PRO CD C 13 49.984 0.01 . 1 . . . . 92 PRO CD . 17293 1 969 . 1 1 93 93 VAL H H 1 8.020 0.007 . 1 . . . . 93 VAL H . 17293 1 970 . 1 1 93 93 VAL HA H 1 3.957 0.007 . 1 . . . . 93 VAL HA . 17293 1 971 . 1 1 93 93 VAL HB H 1 1.874 0.007 . 1 . . . . 93 VAL HB . 17293 1 972 . 1 1 93 93 VAL HG11 H 1 0.716 0.007 . 2 . . . . 93 VAL QG1 . 17293 1 973 . 1 1 93 93 VAL HG12 H 1 0.716 0.007 . 2 . . . . 93 VAL QG1 . 17293 1 974 . 1 1 93 93 VAL HG13 H 1 0.716 0.007 . 2 . . . . 93 VAL QG1 . 17293 1 975 . 1 1 93 93 VAL HG21 H 1 0.709 0.007 . 2 . . . . 93 VAL QG2 . 17293 1 976 . 1 1 93 93 VAL HG22 H 1 0.709 0.007 . 2 . . . . 93 VAL QG2 . 17293 1 977 . 1 1 93 93 VAL HG23 H 1 0.709 0.007 . 2 . . . . 93 VAL QG2 . 17293 1 978 . 1 1 93 93 VAL C C 13 176.316 0.01 . 1 . . . . 93 VAL C . 17293 1 979 . 1 1 93 93 VAL CA C 13 62.100 0.01 . 1 . . . . 93 VAL CA . 17293 1 980 . 1 1 93 93 VAL CB C 13 33.794 0.01 . 1 . . . . 93 VAL CB . 17293 1 981 . 1 1 93 93 VAL CG1 C 13 22.738 0.01 . 1 . . . . 93 VAL CG1 . 17293 1 982 . 1 1 93 93 VAL CG2 C 13 20.993 0.01 . 1 . . . . 93 VAL CG2 . 17293 1 983 . 1 1 93 93 VAL N N 15 119.496 0.01 . 1 . . . . 93 VAL N . 17293 1 984 . 1 1 94 94 ASP H H 1 9.218 0.007 . 1 . . . . 94 ASP H . 17293 1 985 . 1 1 94 94 ASP HA H 1 4.340 0.007 . 1 . . . . 94 ASP HA . 17293 1 986 . 1 1 94 94 ASP HB2 H 1 2.700 0.007 . 2 . . . . 94 ASP HB2 . 17293 1 987 . 1 1 94 94 ASP HB3 H 1 2.354 0.007 . 2 . . . . 94 ASP HB3 . 17293 1 988 . 1 1 94 94 ASP C C 13 175.172 0.01 . 1 . . . . 94 ASP C . 17293 1 989 . 1 1 94 94 ASP CA C 13 57.100 0.01 . 1 . . . . 94 ASP CA . 17293 1 990 . 1 1 94 94 ASP CB C 13 44.850 0.01 . 1 . . . . 94 ASP CB . 17293 1 991 . 1 1 94 94 ASP N N 15 126.544 0.01 . 1 . . . . 94 ASP N . 17293 1 992 . 1 1 95 95 ALA H H 1 7.222 0.007 . 1 . . . . 95 ALA H . 17293 1 993 . 1 1 95 95 ALA HA H 1 4.311 0.007 . 1 . . . . 95 ALA HA . 17293 1 994 . 1 1 95 95 ALA HB1 H 1 1.135 0.007 . 1 . . . . 95 ALA QB . 17293 1 995 . 1 1 95 95 ALA HB2 H 1 1.135 0.007 . 1 . . . . 95 ALA QB . 17293 1 996 . 1 1 95 95 ALA HB3 H 1 1.135 0.007 . 1 . . . . 95 ALA QB . 17293 1 997 . 1 1 95 95 ALA C C 13 174.685 0.01 . 1 . . . . 95 ALA C . 17293 1 998 . 1 1 95 95 ALA CA C 13 51.400 0.01 . 1 . . . . 95 ALA CA . 17293 1 999 . 1 1 95 95 ALA CB C 13 21.700 0.01 . 1 . . . . 95 ALA CB . 17293 1 1000 . 1 1 95 95 ALA N N 15 115.136 0.01 . 1 . . . . 95 ALA N . 17293 1 1001 . 1 1 96 96 GLN H H 1 8.125 0.007 . 1 . . . . 96 GLN H . 17293 1 1002 . 1 1 96 96 GLN HA H 1 5.092 0.007 . 1 . . . . 96 GLN HA . 17293 1 1003 . 1 1 96 96 GLN HB2 H 1 1.763 0.007 . 2 . . . . 96 GLN HB2 . 17293 1 1004 . 1 1 96 96 GLN HB3 H 1 1.418 0.007 . 2 . . . . 96 GLN HB3 . 17293 1 1005 . 1 1 96 96 GLN HG2 H 1 2.140 0.007 . 2 . . . . 96 GLN HG2 . 17293 1 1006 . 1 1 96 96 GLN HG3 H 1 2.058 0.007 . 2 . . . . 96 GLN HG3 . 17293 1 1007 . 1 1 96 96 GLN HE21 H 1 7.759 0.007 . 2 . . . . 96 GLN HE21 . 17293 1 1008 . 1 1 96 96 GLN HE22 H 1 6.634 0.007 . 2 . . . . 96 GLN HE22 . 17293 1 1009 . 1 1 96 96 GLN C C 13 175.148 0.01 . 1 . . . . 96 GLN C . 17293 1 1010 . 1 1 96 96 GLN CA C 13 54.400 0.01 . 1 . . . . 96 GLN CA . 17293 1 1011 . 1 1 96 96 GLN CB C 13 31.200 0.01 . 1 . . . . 96 GLN CB . 17293 1 1012 . 1 1 96 96 GLN CG C 13 34.178 0.01 . 1 . . . . 96 GLN CG . 17293 1 1013 . 1 1 96 96 GLN N N 15 117.954 0.01 . 1 . . . . 96 GLN N . 17293 1 1014 . 1 1 96 96 GLN NE2 N 15 114.466 0.01 . 1 . . . . 96 GLN NE2 . 17293 1 1015 . 1 1 97 97 VAL H H 1 8.723 0.007 . 1 . . . . 97 VAL H . 17293 1 1016 . 1 1 97 97 VAL HA H 1 4.364 0.007 . 1 . . . . 97 VAL HA . 17293 1 1017 . 1 1 97 97 VAL HB H 1 1.727 0.007 . 1 . . . . 97 VAL HB . 17293 1 1018 . 1 1 97 97 VAL HG11 H 1 0.540 0.007 . 2 . . . . 97 VAL QG1 . 17293 1 1019 . 1 1 97 97 VAL HG12 H 1 0.540 0.007 . 2 . . . . 97 VAL QG1 . 17293 1 1020 . 1 1 97 97 VAL HG13 H 1 0.540 0.007 . 2 . . . . 97 VAL QG1 . 17293 1 1021 . 1 1 97 97 VAL HG21 H 1 0.456 0.007 . 2 . . . . 97 VAL QG2 . 17293 1 1022 . 1 1 97 97 VAL HG22 H 1 0.456 0.007 . 2 . . . . 97 VAL QG2 . 17293 1 1023 . 1 1 97 97 VAL HG23 H 1 0.456 0.007 . 2 . . . . 97 VAL QG2 . 17293 1 1024 . 1 1 97 97 VAL C C 13 173.249 0.01 . 1 . . . . 97 VAL C . 17293 1 1025 . 1 1 97 97 VAL CA C 13 59.500 0.01 . 1 . . . . 97 VAL CA . 17293 1 1026 . 1 1 97 97 VAL CB C 13 36.200 0.01 . 1 . . . . 97 VAL CB . 17293 1 1027 . 1 1 97 97 VAL CG1 C 13 21.510 0.01 . 1 . . . . 97 VAL CG1 . 17293 1 1028 . 1 1 97 97 VAL CG2 C 13 20.281 0.01 . 1 . . . . 97 VAL CG2 . 17293 1 1029 . 1 1 97 97 VAL N N 15 120.257 0.01 . 1 . . . . 97 VAL N . 17293 1 1030 . 1 1 98 98 TYR H H 1 8.407 0.007 . 1 . . . . 98 TYR H . 17293 1 1031 . 1 1 98 98 TYR HA H 1 4.487 0.007 . 1 . . . . 98 TYR HA . 17293 1 1032 . 1 1 98 98 TYR HB2 H 1 3.068 0.007 . 2 . . . . 98 TYR HB2 . 17293 1 1033 . 1 1 98 98 TYR HB3 H 1 2.434 0.007 . 2 . . . . 98 TYR HB3 . 17293 1 1034 . 1 1 98 98 TYR C C 13 177.947 0.01 . 1 . . . . 98 TYR C . 17293 1 1035 . 1 1 98 98 TYR CA C 13 57.500 0.01 . 1 . . . . 98 TYR CA . 17293 1 1036 . 1 1 98 98 TYR CB C 13 39.900 0.01 . 1 . . . . 98 TYR CB . 17293 1 1037 . 1 1 98 98 TYR N N 15 121.181 0.01 . 1 . . . . 98 TYR N . 17293 1 1038 . 1 1 99 99 LEU H H 1 8.661 0.007 . 1 . . . . 99 LEU H . 17293 1 1039 . 1 1 99 99 LEU HA H 1 3.468 0.007 . 1 . . . . 99 LEU HA . 17293 1 1040 . 1 1 99 99 LEU HB2 H 1 1.312 0.007 . 2 . . . . 99 LEU HB2 . 17293 1 1041 . 1 1 99 99 LEU HB3 H 1 1.135 0.007 . 2 . . . . 99 LEU HB3 . 17293 1 1042 . 1 1 99 99 LEU HG H 1 0.875 0.007 . 1 . . . . 99 LEU HG . 17293 1 1043 . 1 1 99 99 LEU HD11 H 1 0.302 0.007 . 2 . . . . 99 LEU QD1 . 17293 1 1044 . 1 1 99 99 LEU HD12 H 1 0.302 0.007 . 2 . . . . 99 LEU QD1 . 17293 1 1045 . 1 1 99 99 LEU HD13 H 1 0.302 0.007 . 2 . . . . 99 LEU QD1 . 17293 1 1046 . 1 1 99 99 LEU HD21 H 1 0.142 0.007 . 2 . . . . 99 LEU QD2 . 17293 1 1047 . 1 1 99 99 LEU HD22 H 1 0.142 0.007 . 2 . . . . 99 LEU QD2 . 17293 1 1048 . 1 1 99 99 LEU HD23 H 1 0.142 0.007 . 2 . . . . 99 LEU QD2 . 17293 1 1049 . 1 1 99 99 LEU C C 13 179.213 0.01 . 1 . . . . 99 LEU C . 17293 1 1050 . 1 1 99 99 LEU CA C 13 58.580 0.01 . 1 . . . . 99 LEU CA . 17293 1 1051 . 1 1 99 99 LEU CB C 13 41.892 0.01 . 1 . . . . 99 LEU CB . 17293 1 1052 . 1 1 99 99 LEU CG C 13 26.424 0.01 . 1 . . . . 99 LEU CG . 17293 1 1053 . 1 1 99 99 LEU CD1 C 13 25.809 0.01 . 1 . . . . 99 LEU CD1 . 17293 1 1054 . 1 1 99 99 LEU CD2 C 13 23.967 0.01 . 1 . . . . 99 LEU CD2 . 17293 1 1055 . 1 1 99 99 LEU N N 15 124.334 0.01 . 1 . . . . 99 LEU N . 17293 1 1056 . 1 1 100 100 GLU H H 1 8.840 0.007 . 1 . . . . 100 GLU H . 17293 1 1057 . 1 1 100 100 GLU HA H 1 3.971 0.007 . 1 . . . . 100 GLU HA . 17293 1 1058 . 1 1 100 100 GLU HB2 H 1 1.861 0.007 . 1 . . . . 100 GLU HB2 . 17293 1 1059 . 1 1 100 100 GLU HB3 H 1 1.860 0.007 . 1 . . . . 100 GLU HB3 . 17293 1 1060 . 1 1 100 100 GLU HG2 H 1 2.227 0.007 . 2 . . . . 100 GLU HG2 . 17293 1 1061 . 1 1 100 100 GLU HG3 H 1 2.095 0.007 . 2 . . . . 100 GLU HG3 . 17293 1 1062 . 1 1 100 100 GLU C C 13 176.973 0.01 . 1 . . . . 100 GLU C . 17293 1 1063 . 1 1 100 100 GLU CA C 13 59.100 0.01 . 1 . . . . 100 GLU CA . 17293 1 1064 . 1 1 100 100 GLU CB C 13 28.900 0.01 . 1 . . . . 100 GLU CB . 17293 1 1065 . 1 1 100 100 GLU CG C 13 37.536 0.01 . 1 . . . . 100 GLU CG . 17293 1 1066 . 1 1 100 100 GLU N N 15 114.016 0.01 . 1 . . . . 100 GLU N . 17293 1 1067 . 1 1 101 101 GLU H H 1 7.852 0.007 . 1 . . . . 101 GLU H . 17293 1 1068 . 1 1 101 101 GLU HA H 1 4.196 0.007 . 1 . . . . 101 GLU HA . 17293 1 1069 . 1 1 101 101 GLU HB2 H 1 2.151 0.007 . 2 . . . . 101 GLU HB2 . 17293 1 1070 . 1 1 101 101 GLU HB3 H 1 2.145 0.007 . 2 . . . . 101 GLU HB3 . 17293 1 1071 . 1 1 101 101 GLU HG2 H 1 2.148 0.007 . 2 . . . . 101 GLU HG2 . 17293 1 1072 . 1 1 101 101 GLU HG3 H 1 2.145 0.007 . 2 . . . . 101 GLU HG3 . 17293 1 1073 . 1 1 101 101 GLU C C 13 177.071 0.01 . 1 . . . . 101 GLU C . 17293 1 1074 . 1 1 101 101 GLU CA C 13 56.800 0.01 . 1 . . . . 101 GLU CA . 17293 1 1075 . 1 1 101 101 GLU CB C 13 30.400 0.01 . 1 . . . . 101 GLU CB . 17293 1 1076 . 1 1 101 101 GLU CG C 13 38.109 0.01 . 1 . . . . 101 GLU CG . 17293 1 1077 . 1 1 101 101 GLU N N 15 117.820 0.01 . 1 . . . . 101 GLU N . 17293 1 1078 . 1 1 102 102 MET H H 1 7.696 0.007 . 1 . . . . 102 MET H . 17293 1 1079 . 1 1 102 102 MET HA H 1 4.195 0.007 . 1 . . . . 102 MET HA . 17293 1 1080 . 1 1 102 102 MET HB2 H 1 2.169 0.007 . 2 . . . . 102 MET HB2 . 17293 1 1081 . 1 1 102 102 MET HB3 H 1 2.167 0.007 . 2 . . . . 102 MET HB3 . 17293 1 1082 . 1 1 102 102 MET HG2 H 1 2.558 0.007 . 2 . . . . 102 MET HG2 . 17293 1 1083 . 1 1 102 102 MET HG3 H 1 1.966 0.007 . 2 . . . . 102 MET HG3 . 17293 1 1084 . 1 1 102 102 MET C C 13 175.634 0.01 . 1 . . . . 102 MET C . 17293 1 1085 . 1 1 102 102 MET CA C 13 56.622 0.01 . 1 . . . . 102 MET CA . 17293 1 1086 . 1 1 102 102 MET CB C 13 34.300 0.01 . 1 . . . . 102 MET CB . 17293 1 1087 . 1 1 102 102 MET CG C 13 33.790 0.01 . 1 . . . . 102 MET CG . 17293 1 1088 . 1 1 102 102 MET N N 15 118.564 0.01 . 1 . . . . 102 MET N . 17293 1 1089 . 1 1 103 103 SER H H 1 8.829 0.007 . 1 . . . . 103 SER H . 17293 1 1090 . 1 1 103 103 SER HA H 1 4.651 0.007 . 1 . . . . 103 SER HA . 17293 1 1091 . 1 1 103 103 SER HB2 H 1 3.510 0.007 . 2 . . . . 103 SER HB2 . 17293 1 1092 . 1 1 103 103 SER HB3 H 1 2.661 0.007 . 2 . . . . 103 SER HB3 . 17293 1 1093 . 1 1 103 103 SER C C 13 172.397 0.01 . 1 . . . . 103 SER C . 17293 1 1094 . 1 1 103 103 SER CA C 13 58.600 0.01 . 1 . . . . 103 SER CA . 17293 1 1095 . 1 1 103 103 SER CB C 13 64.400 0.01 . 1 . . . . 103 SER CB . 17293 1 1096 . 1 1 103 103 SER N N 15 117.273 0.01 . 1 . . . . 103 SER N . 17293 1 1097 . 1 1 104 104 TRP H H 1 8.768 0.007 . 1 . . . . 104 TRP H . 17293 1 1098 . 1 1 104 104 TRP HA H 1 4.944 0.007 . 1 . . . . 104 TRP HA . 17293 1 1099 . 1 1 104 104 TRP HB2 H 1 2.996 0.007 . 2 . . . . 104 TRP HB2 . 17293 1 1100 . 1 1 104 104 TRP HB3 H 1 2.992 0.007 . 2 . . . . 104 TRP HB3 . 17293 1 1101 . 1 1 104 104 TRP HE1 H 1 10.345 0.007 . 1 . . . . 104 TRP HE1 . 17293 1 1102 . 1 1 104 104 TRP C C 13 174.709 0.01 . 1 . . . . 104 TRP C . 17293 1 1103 . 1 1 104 104 TRP CA C 13 56.078 0.01 . 1 . . . . 104 TRP CA . 17293 1 1104 . 1 1 104 104 TRP CB C 13 31.900 0.01 . 1 . . . . 104 TRP CB . 17293 1 1105 . 1 1 104 104 TRP N N 15 123.855 0.01 . 1 . . . . 104 TRP N . 17293 1 1106 . 1 1 104 104 TRP NE1 N 15 129.064 0.01 . 1 . . . . 104 TRP NE1 . 17293 1 1107 . 1 1 105 105 ASN H H 1 8.656 0.007 . 1 . . . . 105 ASN H . 17293 1 1108 . 1 1 105 105 ASN HA H 1 4.540 0.007 . 1 . . . . 105 ASN HA . 17293 1 1109 . 1 1 105 105 ASN HB2 H 1 2.913 0.007 . 2 . . . . 105 ASN HB2 . 17293 1 1110 . 1 1 105 105 ASN HB3 H 1 2.102 0.007 . 2 . . . . 105 ASN HB3 . 17293 1 1111 . 1 1 105 105 ASN HD21 H 1 7.072 0.007 . 2 . . . . 105 ASN HD21 . 17293 1 1112 . 1 1 105 105 ASN HD22 H 1 6.653 0.007 . 2 . . . . 105 ASN HD22 . 17293 1 1113 . 1 1 105 105 ASN C C 13 173.224 0.01 . 1 . . . . 105 ASN C . 17293 1 1114 . 1 1 105 105 ASN CA C 13 51.100 0.01 . 1 . . . . 105 ASN CA . 17293 1 1115 . 1 1 105 105 ASN CB C 13 39.300 0.01 . 1 . . . . 105 ASN CB . 17293 1 1116 . 1 1 105 105 ASN N N 15 128.290 0.01 . 1 . . . . 105 ASN N . 17293 1 1117 . 1 1 105 105 ASN ND2 N 15 113.098 0.01 . 1 . . . . 105 ASN ND2 . 17293 1 1118 . 1 1 106 106 GLU H H 1 8.280 0.007 . 1 . . . . 106 GLU H . 17293 1 1119 . 1 1 106 106 GLU HA H 1 3.297 0.007 . 1 . . . . 106 GLU HA . 17293 1 1120 . 1 1 106 106 GLU HB2 H 1 2.051 0.007 . 2 . . . . 106 GLU HB2 . 17293 1 1121 . 1 1 106 106 GLU HB3 H 1 1.753 0.007 . 2 . . . . 106 GLU HB3 . 17293 1 1122 . 1 1 106 106 GLU HG2 H 1 2.251 0.007 . 2 . . . . 106 GLU HG2 . 17293 1 1123 . 1 1 106 106 GLU HG3 H 1 2.217 0.007 . 2 . . . . 106 GLU HG3 . 17293 1 1124 . 1 1 106 106 GLU C C 13 178.093 0.01 . 1 . . . . 106 GLU C . 17293 1 1125 . 1 1 106 106 GLU CA C 13 58.977 0.01 . 1 . . . . 106 GLU CA . 17293 1 1126 . 1 1 106 106 GLU CB C 13 29.900 0.01 . 1 . . . . 106 GLU CB . 17293 1 1127 . 1 1 106 106 GLU CG C 13 35.752 0.01 . 1 . . . . 106 GLU CG . 17293 1 1128 . 1 1 106 106 GLU N N 15 125.320 0.01 . 1 . . . . 106 GLU N . 17293 1 1129 . 1 1 107 107 GLY H H 1 8.068 0.007 . 1 . . . . 107 GLY H . 17293 1 1130 . 1 1 107 107 GLY HA2 H 1 3.590 0.007 . 2 . . . . 107 GLY HA2 . 17293 1 1131 . 1 1 107 107 GLY HA3 H 1 3.593 0.007 . 2 . . . . 107 GLY HA3 . 17293 1 1132 . 1 1 107 107 GLY C C 13 174.563 0.01 . 1 . . . . 107 GLY C . 17293 1 1133 . 1 1 107 107 GLY CA C 13 47.141 0.01 . 1 . . . . 107 GLY CA . 17293 1 1134 . 1 1 107 107 GLY N N 15 105.789 0.01 . 1 . . . . 107 GLY N . 17293 1 1135 . 1 1 108 108 ASP H H 1 6.851 0.007 . 1 . . . . 108 ASP H . 17293 1 1136 . 1 1 108 108 ASP HA H 1 4.476 0.007 . 1 . . . . 108 ASP HA . 17293 1 1137 . 1 1 108 108 ASP HB2 H 1 2.287 0.007 . 2 . . . . 108 ASP HB2 . 17293 1 1138 . 1 1 108 108 ASP HB3 H 1 2.280 0.007 . 2 . . . . 108 ASP HB3 . 17293 1 1139 . 1 1 108 108 ASP C C 13 175.513 0.01 . 1 . . . . 108 ASP C . 17293 1 1140 . 1 1 108 108 ASP CA C 13 52.800 0.01 . 1 . . . . 108 ASP CA . 17293 1 1141 . 1 1 108 108 ASP CB C 13 40.717 0.01 . 1 . . . . 108 ASP CB . 17293 1 1142 . 1 1 108 108 ASP N N 15 116.727 0.01 . 1 . . . . 108 ASP N . 17293 1 1143 . 1 1 109 109 HIS H H 1 7.436 0.007 . 1 . . . . 109 HIS H . 17293 1 1144 . 1 1 109 109 HIS HA H 1 3.449 0.007 . 1 . . . . 109 HIS HA . 17293 1 1145 . 1 1 109 109 HIS HB2 H 1 3.318 0.007 . 2 . . . . 109 HIS HB2 . 17293 1 1146 . 1 1 109 109 HIS HB3 H 1 3.143 0.007 . 2 . . . . 109 HIS HB3 . 17293 1 1147 . 1 1 109 109 HIS C C 13 173.443 0.01 . 1 . . . . 109 HIS C . 17293 1 1148 . 1 1 109 109 HIS CA C 13 57.100 0.01 . 1 . . . . 109 HIS CA . 17293 1 1149 . 1 1 109 109 HIS CB C 13 27.652 0.01 . 1 . . . . 109 HIS CB . 17293 1 1150 . 1 1 109 109 HIS N N 15 119.461 0.01 . 1 . . . . 109 HIS N . 17293 1 1151 . 1 1 110 110 SER H H 1 7.009 0.007 . 1 . . . . 110 SER H . 17293 1 1152 . 1 1 110 110 SER HA H 1 4.892 0.007 . 1 . . . . 110 SER HA . 17293 1 1153 . 1 1 110 110 SER HB2 H 1 3.390 0.007 . 1 . . . . 110 SER HB2 . 17293 1 1154 . 1 1 110 110 SER HB3 H 1 3.390 0.007 . 1 . . . . 110 SER HB3 . 17293 1 1155 . 1 1 110 110 SER C C 13 171.301 0.01 . 1 . . . . 110 SER C . 17293 1 1156 . 1 1 110 110 SER CA C 13 57.116 0.01 . 1 . . . . 110 SER CA . 17293 1 1157 . 1 1 110 110 SER CB C 13 66.982 0.01 . 1 . . . . 110 SER CB . 17293 1 1158 . 1 1 110 110 SER N N 15 111.805 0.01 . 1 . . . . 110 SER N . 17293 1 1159 . 1 1 111 111 PHE H H 1 9.101 0.007 . 1 . . . . 111 PHE H . 17293 1 1160 . 1 1 111 111 PHE HA H 1 5.636 0.007 . 1 . . . . 111 PHE HA . 17293 1 1161 . 1 1 111 111 PHE HB2 H 1 3.044 0.007 . 2 . . . . 111 PHE HB2 . 17293 1 1162 . 1 1 111 111 PHE HB3 H 1 2.802 0.007 . 2 . . . . 111 PHE HB3 . 17293 1 1163 . 1 1 111 111 PHE C C 13 176.365 0.01 . 1 . . . . 111 PHE C . 17293 1 1164 . 1 1 111 111 PHE CA C 13 57.125 0.01 . 1 . . . . 111 PHE CA . 17293 1 1165 . 1 1 111 111 PHE CB C 13 42.969 0.01 . 1 . . . . 111 PHE CB . 17293 1 1166 . 1 1 111 111 PHE N N 15 120.555 0.01 . 1 . . . . 111 PHE N . 17293 1 1167 . 1 1 112 112 TYR H H 1 9.265 0.007 . 1 . . . . 112 TYR H . 17293 1 1168 . 1 1 112 112 TYR HA H 1 6.042 0.007 . 1 . . . . 112 TYR HA . 17293 1 1169 . 1 1 112 112 TYR HB2 H 1 2.931 0.007 . 2 . . . . 112 TYR HB2 . 17293 1 1170 . 1 1 112 112 TYR HB3 H 1 2.637 0.007 . 2 . . . . 112 TYR HB3 . 17293 1 1171 . 1 1 112 112 TYR C C 13 173.443 0.01 . 1 . . . . 112 TYR C . 17293 1 1172 . 1 1 112 112 TYR CA C 13 56.620 0.01 . 1 . . . . 112 TYR CA . 17293 1 1173 . 1 1 112 112 TYR CB C 13 43.008 0.01 . 1 . . . . 112 TYR CB . 17293 1 1174 . 1 1 112 112 TYR N N 15 116.835 0.01 . 1 . . . . 112 TYR N . 17293 1 1175 . 1 1 113 113 LEU H H 1 8.786 0.007 . 1 . . . . 113 LEU H . 17293 1 1176 . 1 1 113 113 LEU HA H 1 4.664 0.007 . 1 . . . . 113 LEU HA . 17293 1 1177 . 1 1 113 113 LEU HB2 H 1 1.738 0.007 . 2 . . . . 113 LEU HB2 . 17293 1 1178 . 1 1 113 113 LEU HB3 H 1 1.376 0.007 . 2 . . . . 113 LEU HB3 . 17293 1 1179 . 1 1 113 113 LEU HG H 1 1.735 0.007 . 1 . . . . 113 LEU HG . 17293 1 1180 . 1 1 113 113 LEU HD11 H 1 0.883 0.007 . 2 . . . . 113 LEU QD1 . 17293 1 1181 . 1 1 113 113 LEU HD12 H 1 0.883 0.007 . 2 . . . . 113 LEU QD1 . 17293 1 1182 . 1 1 113 113 LEU HD13 H 1 0.883 0.007 . 2 . . . . 113 LEU QD1 . 17293 1 1183 . 1 1 113 113 LEU HD21 H 1 0.738 0.007 . 2 . . . . 113 LEU QD2 . 17293 1 1184 . 1 1 113 113 LEU HD22 H 1 0.738 0.007 . 2 . . . . 113 LEU QD2 . 17293 1 1185 . 1 1 113 113 LEU HD23 H 1 0.738 0.007 . 2 . . . . 113 LEU QD2 . 17293 1 1186 . 1 1 113 113 LEU C C 13 177.485 0.01 . 1 . . . . 113 LEU C . 17293 1 1187 . 1 1 113 113 LEU CA C 13 53.800 0.01 . 1 . . . . 113 LEU CA . 17293 1 1188 . 1 1 113 113 LEU CB C 13 48.300 0.01 . 1 . . . . 113 LEU CB . 17293 1 1189 . 1 1 113 113 LEU CG C 13 27.038 0.01 . 1 . . . . 113 LEU CG . 17293 1 1190 . 1 1 113 113 LEU CD1 C 13 24.760 0.01 . 1 . . . . 113 LEU CD1 . 17293 1 1191 . 1 1 113 113 LEU CD2 C 13 26.424 0.01 . 1 . . . . 113 LEU CD2 . 17293 1 1192 . 1 1 113 113 LEU N N 15 121.484 0.01 . 1 . . . . 113 LEU N . 17293 1 1193 . 1 1 114 114 SER H H 1 8.908 0.007 . 1 . . . . 114 SER H . 17293 1 1194 . 1 1 114 114 SER HA H 1 4.530 0.007 . 1 . . . . 114 SER HA . 17293 1 1195 . 1 1 114 114 SER HB2 H 1 3.910 0.007 . 2 . . . . 114 SER HB2 . 17293 1 1196 . 1 1 114 114 SER HB3 H 1 3.774 0.007 . 2 . . . . 114 SER HB3 . 17293 1 1197 . 1 1 114 114 SER C C 13 172.372 0.01 . 1 . . . . 114 SER C . 17293 1 1198 . 1 1 114 114 SER CA C 13 60.700 0.01 . 1 . . . . 114 SER CA . 17293 1 1199 . 1 1 114 114 SER CB C 13 63.700 0.01 . 1 . . . . 114 SER CB . 17293 1 1200 . 1 1 114 114 SER N N 15 122.489 0.01 . 1 . . . . 114 SER N . 17293 1 1201 . 1 1 115 115 CYS H H 1 8.467 0.007 . 1 . . . . 115 CYS H . 17293 1 1202 . 1 1 115 115 CYS HA H 1 4.550 0.007 . 1 . . . . 115 CYS HA . 17293 1 1203 . 1 1 115 115 CYS HB2 H 1 2.367 0.007 . 2 . . . . 115 CYS HB2 . 17293 1 1204 . 1 1 115 115 CYS HB3 H 1 2.142 0.007 . 2 . . . . 115 CYS HB3 . 17293 1 1205 . 1 1 115 115 CYS C C 13 176.876 0.01 . 1 . . . . 115 CYS C . 17293 1 1206 . 1 1 115 115 CYS CA C 13 58.977 0.01 . 1 . . . . 115 CYS CA . 17293 1 1207 . 1 1 115 115 CYS CB C 13 33.800 0.01 . 1 . . . . 115 CYS CB . 17293 1 1208 . 1 1 115 115 CYS N N 15 126.529 0.01 . 1 . . . . 115 CYS N . 17293 1 1209 . 1 1 116 116 ARG H H 1 8.913 0.007 . 1 . . . . 116 ARG H . 17293 1 1210 . 1 1 116 116 ARG HA H 1 4.189 0.007 . 1 . . . . 116 ARG HA . 17293 1 1211 . 1 1 116 116 ARG HB2 H 1 1.767 0.007 . 1 . . . . 116 ARG HB2 . 17293 1 1212 . 1 1 116 116 ARG HB3 H 1 1.768 0.007 . 1 . . . . 116 ARG HB3 . 17293 1 1213 . 1 1 116 116 ARG HG2 H 1 1.420 0.007 . 1 . . . . 116 ARG HG2 . 17293 1 1214 . 1 1 116 116 ARG HG3 H 1 1.420 0.007 . 1 . . . . 116 ARG HG3 . 17293 1 1215 . 1 1 116 116 ARG HD2 H 1 3.070 0.007 . 2 . . . . 116 ARG HD2 . 17293 1 1216 . 1 1 116 116 ARG HD3 H 1 3.064 0.007 . 2 . . . . 116 ARG HD3 . 17293 1 1217 . 1 1 116 116 ARG C C 13 177.241 0.01 . 1 . . . . 116 ARG C . 17293 1 1218 . 1 1 116 116 ARG CA C 13 58.700 0.01 . 1 . . . . 116 ARG CA . 17293 1 1219 . 1 1 116 116 ARG CB C 13 29.000 0.01 . 1 . . . . 116 ARG CB . 17293 1 1220 . 1 1 116 116 ARG CG C 13 26.398 0.01 . 1 . . . . 116 ARG CG . 17293 1 1221 . 1 1 116 116 ARG CD C 13 44.006 0.01 . 1 . . . . 116 ARG CD . 17293 1 1222 . 1 1 116 116 ARG N N 15 131.502 0.01 . 1 . . . . 116 ARG N . 17293 1 1223 . 1 1 117 117 CYS H H 1 8.885 0.007 . 1 . . . . 117 CYS H . 17293 1 1224 . 1 1 117 117 CYS HA H 1 4.430 0.007 . 1 . . . . 117 CYS HA . 17293 1 1225 . 1 1 117 117 CYS HB2 H 1 3.189 0.007 . 2 . . . . 117 CYS HB2 . 17293 1 1226 . 1 1 117 117 CYS HB3 H 1 2.635 0.007 . 2 . . . . 117 CYS HB3 . 17293 1 1227 . 1 1 117 117 CYS C C 13 176.535 0.01 . 1 . . . . 117 CYS C . 17293 1 1228 . 1 1 117 117 CYS CA C 13 60.206 0.01 . 1 . . . . 117 CYS CA . 17293 1 1229 . 1 1 117 117 CYS CB C 13 30.500 0.01 . 1 . . . . 117 CYS CB . 17293 1 1230 . 1 1 117 117 CYS N N 15 123.727 0.01 . 1 . . . . 117 CYS N . 17293 1 1231 . 1 1 118 118 GLY H H 1 7.831 0.007 . 1 . . . . 118 GLY H . 17293 1 1232 . 1 1 118 118 GLY HA2 H 1 4.490 0.007 . 2 . . . . 118 GLY HA2 . 17293 1 1233 . 1 1 118 118 GLY HA3 H 1 3.572 0.007 . 2 . . . . 118 GLY HA3 . 17293 1 1234 . 1 1 118 118 GLY C C 13 174.855 0.01 . 1 . . . . 118 GLY C . 17293 1 1235 . 1 1 118 118 GLY CA C 13 44.900 0.01 . 1 . . . . 118 GLY CA . 17293 1 1236 . 1 1 118 118 GLY N N 15 112.355 0.01 . 1 . . . . 118 GLY N . 17293 1 1237 . 1 1 119 119 GLY H H 1 9.753 0.007 . 1 . . . . 119 GLY H . 17293 1 1238 . 1 1 119 119 GLY HA2 H 1 4.145 0.007 . 2 . . . . 119 GLY HA2 . 17293 1 1239 . 1 1 119 119 GLY HA3 H 1 3.368 0.007 . 2 . . . . 119 GLY HA3 . 17293 1 1240 . 1 1 119 119 GLY C C 13 172.007 0.01 . 1 . . . . 119 GLY C . 17293 1 1241 . 1 1 119 119 GLY CA C 13 43.500 0.01 . 1 . . . . 119 GLY CA . 17293 1 1242 . 1 1 119 119 GLY N N 15 117.135 0.01 . 1 . . . . 119 GLY N . 17293 1 1243 . 1 1 120 120 LYS H H 1 8.506 0.007 . 1 . . . . 120 LYS H . 17293 1 1244 . 1 1 120 120 LYS HA H 1 4.852 0.007 . 1 . . . . 120 LYS HA . 17293 1 1245 . 1 1 120 120 LYS HB2 H 1 1.537 0.007 . 2 . . . . 120 LYS HB2 . 17293 1 1246 . 1 1 120 120 LYS HB3 H 1 1.521 0.007 . 2 . . . . 120 LYS HB3 . 17293 1 1247 . 1 1 120 120 LYS HG2 H 1 1.168 0.007 . 2 . . . . 120 LYS HG2 . 17293 1 1248 . 1 1 120 120 LYS HG3 H 1 1.157 0.007 . 2 . . . . 120 LYS HG3 . 17293 1 1249 . 1 1 120 120 LYS HD2 H 1 1.518 0.007 . 1 . . . . 120 LYS HD2 . 17293 1 1250 . 1 1 120 120 LYS HD3 H 1 1.518 0.007 . 1 . . . . 120 LYS HD3 . 17293 1 1251 . 1 1 120 120 LYS HE2 H 1 2.523 0.007 . 1 . . . . 120 LYS HE2 . 17293 1 1252 . 1 1 120 120 LYS HE3 H 1 2.523 0.007 . 1 . . . . 120 LYS HE3 . 17293 1 1253 . 1 1 120 120 LYS C C 13 174.295 0.01 . 1 . . . . 120 LYS C . 17293 1 1254 . 1 1 120 120 LYS CA C 13 56.000 0.01 . 1 . . . . 120 LYS CA . 17293 1 1255 . 1 1 120 120 LYS CB C 13 37.000 0.01 . 1 . . . . 120 LYS CB . 17293 1 1256 . 1 1 120 120 LYS CG C 13 24.597 0.01 . 1 . . . . 120 LYS CG . 17293 1 1257 . 1 1 120 120 LYS CD C 13 29.674 0.01 . 1 . . . . 120 LYS CD . 17293 1 1258 . 1 1 120 120 LYS CE C 13 42.040 0.01 . 1 . . . . 120 LYS CE . 17293 1 1259 . 1 1 120 120 LYS N N 15 120.555 0.01 . 1 . . . . 120 LYS N . 17293 1 1260 . 1 1 121 121 TYR H H 1 9.003 0.007 . 1 . . . . 121 TYR H . 17293 1 1261 . 1 1 121 121 TYR HA H 1 4.544 0.007 . 1 . . . . 121 TYR HA . 17293 1 1262 . 1 1 121 121 TYR HB2 H 1 2.786 0.007 . 2 . . . . 121 TYR HB2 . 17293 1 1263 . 1 1 121 121 TYR HB3 H 1 2.570 0.007 . 2 . . . . 121 TYR HB3 . 17293 1 1264 . 1 1 121 121 TYR C C 13 175.391 0.01 . 1 . . . . 121 TYR C . 17293 1 1265 . 1 1 121 121 TYR CA C 13 56.600 0.01 . 1 . . . . 121 TYR CA . 17293 1 1266 . 1 1 121 121 TYR CB C 13 39.733 0.01 . 1 . . . . 121 TYR CB . 17293 1 1267 . 1 1 121 121 TYR N N 15 121.810 0.01 . 1 . . . . 121 TYR N . 17293 1 1268 . 1 1 122 122 SER H H 1 8.414 0.007 . 1 . . . . 122 SER H . 17293 1 1269 . 1 1 122 122 SER HA H 1 5.677 0.007 . 1 . . . . 122 SER HA . 17293 1 1270 . 1 1 122 122 SER HB2 H 1 3.593 0.007 . 2 . . . . 122 SER HB2 . 17293 1 1271 . 1 1 122 122 SER HB3 H 1 3.464 0.007 . 2 . . . . 122 SER HB3 . 17293 1 1272 . 1 1 122 122 SER C C 13 172.786 0.01 . 1 . . . . 122 SER C . 17293 1 1273 . 1 1 122 122 SER CA C 13 57.255 0.01 . 1 . . . . 122 SER CA . 17293 1 1274 . 1 1 122 122 SER CB C 13 66.200 0.01 . 1 . . . . 122 SER CB . 17293 1 1275 . 1 1 122 122 SER N N 15 117.712 0.01 . 1 . . . . 122 SER N . 17293 1 1276 . 1 1 123 123 VAL H H 1 8.973 0.007 . 1 . . . . 123 VAL H . 17293 1 1277 . 1 1 123 123 VAL HA H 1 4.531 0.007 . 1 . . . . 123 VAL HA . 17293 1 1278 . 1 1 123 123 VAL HB H 1 1.978 0.007 . 1 . . . . 123 VAL HB . 17293 1 1279 . 1 1 123 123 VAL HG11 H 1 0.986 0.007 . 2 . . . . 123 VAL QG1 . 17293 1 1280 . 1 1 123 123 VAL HG12 H 1 0.986 0.007 . 2 . . . . 123 VAL QG1 . 17293 1 1281 . 1 1 123 123 VAL HG13 H 1 0.986 0.007 . 2 . . . . 123 VAL QG1 . 17293 1 1282 . 1 1 123 123 VAL HG21 H 1 0.905 0.007 . 2 . . . . 123 VAL QG2 . 17293 1 1283 . 1 1 123 123 VAL HG22 H 1 0.905 0.007 . 2 . . . . 123 VAL QG2 . 17293 1 1284 . 1 1 123 123 VAL HG23 H 1 0.905 0.007 . 2 . . . . 123 VAL QG2 . 17293 1 1285 . 1 1 123 123 VAL C C 13 173.395 0.01 . 1 . . . . 123 VAL C . 17293 1 1286 . 1 1 123 123 VAL CA C 13 60.200 0.01 . 1 . . . . 123 VAL CA . 17293 1 1287 . 1 1 123 123 VAL CB C 13 35.637 0.01 . 1 . . . . 123 VAL CB . 17293 1 1288 . 1 1 123 123 VAL CG1 C 13 21.730 0.01 . 1 . . . . 123 VAL CG1 . 17293 1 1289 . 1 1 123 123 VAL CG2 C 13 20.952 0.01 . 1 . . . . 123 VAL CG2 . 17293 1 1290 . 1 1 123 123 VAL N N 15 121.648 0.01 . 1 . . . . 123 VAL N . 17293 1 1291 . 1 1 124 124 SER H H 1 9.092 0.007 . 1 . . . . 124 SER H . 17293 1 1292 . 1 1 124 124 SER HA H 1 4.583 0.007 . 1 . . . . 124 SER HA . 17293 1 1293 . 1 1 124 124 SER HB2 H 1 4.227 0.007 . 2 . . . . 124 SER HB2 . 17293 1 1294 . 1 1 124 124 SER HB3 H 1 3.927 0.007 . 2 . . . . 124 SER HB3 . 17293 1 1295 . 1 1 124 124 SER C C 13 175.829 0.01 . 1 . . . . 124 SER C . 17293 1 1296 . 1 1 124 124 SER CA C 13 58.731 0.01 . 1 . . . . 124 SER CA . 17293 1 1297 . 1 1 124 124 SER CB C 13 64.400 0.01 . 1 . . . . 124 SER CB . 17293 1 1298 . 1 1 124 124 SER N N 15 123.751 0.01 . 1 . . . . 124 SER N . 17293 1 1299 . 1 1 125 125 LYS H H 1 8.707 0.007 . 1 . . . . 125 LYS H . 17293 1 1300 . 1 1 125 125 LYS HA H 1 4.223 0.007 . 1 . . . . 125 LYS HA . 17293 1 1301 . 1 1 125 125 LYS HB2 H 1 1.984 0.007 . 2 . . . . 125 LYS HB2 . 17293 1 1302 . 1 1 125 125 LYS HB3 H 1 2.258 0.007 . 2 . . . . 125 LYS HB3 . 17293 1 1303 . 1 1 125 125 LYS HG2 H 1 1.512 0.007 . 2 . . . . 125 LYS HG2 . 17293 1 1304 . 1 1 125 125 LYS HG3 H 1 1.493 0.007 . 2 . . . . 125 LYS HG3 . 17293 1 1305 . 1 1 125 125 LYS HD2 H 1 1.621 0.007 . 1 . . . . 125 LYS HD2 . 17293 1 1306 . 1 1 125 125 LYS HD3 H 1 1.621 0.007 . 1 . . . . 125 LYS HD3 . 17293 1 1307 . 1 1 125 125 LYS HE2 H 1 2.838 0.007 . 1 . . . . 125 LYS HE2 . 17293 1 1308 . 1 1 125 125 LYS HE3 H 1 2.838 0.007 . 1 . . . . 125 LYS HE3 . 17293 1 1309 . 1 1 125 125 LYS C C 13 178.191 0.01 . 1 . . . . 125 LYS C . 17293 1 1310 . 1 1 125 125 LYS CA C 13 60.600 0.01 . 1 . . . . 125 LYS CA . 17293 1 1311 . 1 1 125 125 LYS CB C 13 33.132 0.01 . 1 . . . . 125 LYS CB . 17293 1 1312 . 1 1 125 125 LYS CG C 13 25.195 0.01 . 1 . . . . 125 LYS CG . 17293 1 1313 . 1 1 125 125 LYS CD C 13 29.428 0.01 . 1 . . . . 125 LYS CD . 17293 1 1314 . 1 1 125 125 LYS CE C 13 42.204 0.01 . 1 . . . . 125 LYS CE . 17293 1 1315 . 1 1 125 125 LYS N N 15 123.520 0.01 . 1 . . . . 125 LYS N . 17293 1 1316 . 1 1 126 126 ASP H H 1 8.387 0.007 . 1 . . . . 126 ASP H . 17293 1 1317 . 1 1 126 126 ASP HA H 1 4.452 0.007 . 1 . . . . 126 ASP HA . 17293 1 1318 . 1 1 126 126 ASP HB2 H 1 2.726 0.007 . 2 . . . . 126 ASP HB2 . 17293 1 1319 . 1 1 126 126 ASP HB3 H 1 2.546 0.007 . 2 . . . . 126 ASP HB3 . 17293 1 1320 . 1 1 126 126 ASP C C 13 177.582 0.01 . 1 . . . . 126 ASP C . 17293 1 1321 . 1 1 126 126 ASP CA C 13 56.900 0.01 . 1 . . . . 126 ASP CA . 17293 1 1322 . 1 1 126 126 ASP CB C 13 41.165 0.01 . 1 . . . . 126 ASP CB . 17293 1 1323 . 1 1 126 126 ASP N N 15 115.633 0.01 . 1 . . . . 126 ASP N . 17293 1 1324 . 1 1 127 127 GLU H H 1 7.648 0.007 . 1 . . . . 127 GLU H . 17293 1 1325 . 1 1 127 127 GLU HA H 1 4.451 0.007 . 1 . . . . 127 GLU HA . 17293 1 1326 . 1 1 127 127 GLU HB2 H 1 2.044 0.007 . 2 . . . . 127 GLU HB2 . 17293 1 1327 . 1 1 127 127 GLU HB3 H 1 2.014 0.007 . 2 . . . . 127 GLU HB3 . 17293 1 1328 . 1 1 127 127 GLU HG2 H 1 2.259 0.007 . 2 . . . . 127 GLU HG2 . 17293 1 1329 . 1 1 127 127 GLU HG3 H 1 2.252 0.007 . 2 . . . . 127 GLU HG3 . 17293 1 1330 . 1 1 127 127 GLU C C 13 177.485 0.01 . 1 . . . . 127 GLU C . 17293 1 1331 . 1 1 127 127 GLU CA C 13 56.700 0.01 . 1 . . . . 127 GLU CA . 17293 1 1332 . 1 1 127 127 GLU CB C 13 30.889 0.01 . 1 . . . . 127 GLU CB . 17293 1 1333 . 1 1 127 127 GLU CG C 13 36.799 0.01 . 1 . . . . 127 GLU CG . 17293 1 1334 . 1 1 127 127 GLU N N 15 117.877 0.01 . 1 . . . . 127 GLU N . 17293 1 1335 . 1 1 128 128 ALA H H 1 7.588 0.007 . 1 . . . . 128 ALA H . 17293 1 1336 . 1 1 128 128 ALA HA H 1 3.795 0.007 . 1 . . . . 128 ALA HA . 17293 1 1337 . 1 1 128 128 ALA HB1 H 1 1.454 0.007 . 1 . . . . 128 ALA QB . 17293 1 1338 . 1 1 128 128 ALA HB2 H 1 1.454 0.007 . 1 . . . . 128 ALA QB . 17293 1 1339 . 1 1 128 128 ALA HB3 H 1 1.454 0.007 . 1 . . . . 128 ALA QB . 17293 1 1340 . 1 1 128 128 ALA C C 13 177.533 0.01 . 1 . . . . 128 ALA C . 17293 1 1341 . 1 1 128 128 ALA CA C 13 55.800 0.01 . 1 . . . . 128 ALA CA . 17293 1 1342 . 1 1 128 128 ALA CB C 13 19.667 0.01 . 1 . . . . 128 ALA CB . 17293 1 1343 . 1 1 128 128 ALA N N 15 122.124 0.01 . 1 . . . . 128 ALA N . 17293 1 1344 . 1 1 129 129 GLU H H 1 8.005 0.007 . 1 . . . . 129 GLU H . 17293 1 1345 . 1 1 129 129 GLU HA H 1 3.980 0.007 . 1 . . . . 129 GLU HA . 17293 1 1346 . 1 1 129 129 GLU HB2 H 1 2.004 0.007 . 2 . . . . 129 GLU HB2 . 17293 1 1347 . 1 1 129 129 GLU HB3 H 1 1.809 0.007 . 2 . . . . 129 GLU HB3 . 17293 1 1348 . 1 1 129 129 GLU HG2 H 1 2.227 0.007 . 2 . . . . 129 GLU HG2 . 17293 1 1349 . 1 1 129 129 GLU HG3 H 1 2.087 0.007 . 2 . . . . 129 GLU HG3 . 17293 1 1350 . 1 1 129 129 GLU C C 13 176.657 0.01 . 1 . . . . 129 GLU C . 17293 1 1351 . 1 1 129 129 GLU CA C 13 57.600 0.01 . 1 . . . . 129 GLU CA . 17293 1 1352 . 1 1 129 129 GLU CB C 13 30.070 0.01 . 1 . . . . 129 GLU CB . 17293 1 1353 . 1 1 129 129 GLU CG C 13 36.858 0.01 . 1 . . . . 129 GLU CG . 17293 1 1354 . 1 1 129 129 GLU N N 15 112.006 0.01 . 1 . . . . 129 GLU N . 17293 1 1355 . 1 1 130 130 GLU H H 1 7.682 0.007 . 1 . . . . 130 GLU H . 17293 1 1356 . 1 1 130 130 GLU HA H 1 4.262 0.007 . 1 . . . . 130 GLU HA . 17293 1 1357 . 1 1 130 130 GLU HB2 H 1 2.080 0.007 . 2 . . . . 130 GLU HB2 . 17293 1 1358 . 1 1 130 130 GLU HB3 H 1 1.852 0.007 . 2 . . . . 130 GLU HB3 . 17293 1 1359 . 1 1 130 130 GLU HG2 H 1 2.081 0.007 . 2 . . . . 130 GLU HG2 . 17293 1 1360 . 1 1 130 130 GLU HG3 H 1 2.079 0.007 . 2 . . . . 130 GLU HG3 . 17293 1 1361 . 1 1 130 130 GLU C C 13 176.462 0.01 . 1 . . . . 130 GLU C . 17293 1 1362 . 1 1 130 130 GLU CA C 13 56.400 0.01 . 1 . . . . 130 GLU CA . 17293 1 1363 . 1 1 130 130 GLU CB C 13 32.100 0.01 . 1 . . . . 130 GLU CB . 17293 1 1364 . 1 1 130 130 GLU CG C 13 36.226 0.01 . 1 . . . . 130 GLU CG . 17293 1 1365 . 1 1 130 130 GLU N N 15 115.963 0.01 . 1 . . . . 130 GLU N . 17293 1 1366 . 1 1 131 131 VAL H H 1 7.519 0.007 . 1 . . . . 131 VAL H . 17293 1 1367 . 1 1 131 131 VAL HA H 1 4.086 0.007 . 1 . . . . 131 VAL HA . 17293 1 1368 . 1 1 131 131 VAL HB H 1 1.987 0.007 . 1 . . . . 131 VAL HB . 17293 1 1369 . 1 1 131 131 VAL HG11 H 1 0.925 0.007 . 2 . . . . 131 VAL QG1 . 17293 1 1370 . 1 1 131 131 VAL HG12 H 1 0.925 0.007 . 2 . . . . 131 VAL QG1 . 17293 1 1371 . 1 1 131 131 VAL HG13 H 1 0.925 0.007 . 2 . . . . 131 VAL QG1 . 17293 1 1372 . 1 1 131 131 VAL HG21 H 1 0.747 0.007 . 2 . . . . 131 VAL QG2 . 17293 1 1373 . 1 1 131 131 VAL HG22 H 1 0.747 0.007 . 2 . . . . 131 VAL QG2 . 17293 1 1374 . 1 1 131 131 VAL HG23 H 1 0.747 0.007 . 2 . . . . 131 VAL QG2 . 17293 1 1375 . 1 1 131 131 VAL C C 13 175.586 0.01 . 1 . . . . 131 VAL C . 17293 1 1376 . 1 1 131 131 VAL CA C 13 63.100 0.01 . 1 . . . . 131 VAL CA . 17293 1 1377 . 1 1 131 131 VAL CB C 13 33.700 0.01 . 1 . . . . 131 VAL CB . 17293 1 1378 . 1 1 131 131 VAL CG1 C 13 22.549 0.01 . 1 . . . . 131 VAL CG1 . 17293 1 1379 . 1 1 131 131 VAL CG2 C 13 22.385 0.01 . 1 . . . . 131 VAL CG2 . 17293 1 1380 . 1 1 131 131 VAL N N 15 119.713 0.01 . 1 . . . . 131 VAL N . 17293 1 1381 . 1 1 132 132 SER H H 1 8.658 0.007 . 1 . . . . 132 SER H . 17293 1 1382 . 1 1 132 132 SER HA H 1 4.967 0.007 . 1 . . . . 132 SER HA . 17293 1 1383 . 1 1 132 132 SER HB2 H 1 3.805 0.007 . 1 . . . . 132 SER HB2 . 17293 1 1384 . 1 1 132 132 SER HB3 H 1 3.804 0.007 . 1 . . . . 132 SER HB3 . 17293 1 1385 . 1 1 132 132 SER C C 13 172.981 0.01 . 1 . . . . 132 SER C . 17293 1 1386 . 1 1 132 132 SER CA C 13 59.053 0.01 . 1 . . . . 132 SER CA . 17293 1 1387 . 1 1 132 132 SER CB C 13 65.200 0.01 . 1 . . . . 132 SER CB . 17293 1 1388 . 1 1 132 132 SER N N 15 118.068 0.01 . 1 . . . . 132 SER N . 17293 1 1389 . 1 1 133 133 LEU H H 1 7.701 0.007 . 1 . . . . 133 LEU H . 17293 1 1390 . 1 1 133 133 LEU HA H 1 5.156 0.007 . 1 . . . . 133 LEU HA . 17293 1 1391 . 1 1 133 133 LEU HB2 H 1 1.623 0.007 . 2 . . . . 133 LEU HB2 . 17293 1 1392 . 1 1 133 133 LEU HB3 H 1 1.188 0.007 . 2 . . . . 133 LEU HB3 . 17293 1 1393 . 1 1 133 133 LEU HG H 1 1.497 0.007 . 1 . . . . 133 LEU HG . 17293 1 1394 . 1 1 133 133 LEU HD11 H 1 0.740 0.007 . 2 . . . . 133 LEU QD1 . 17293 1 1395 . 1 1 133 133 LEU HD12 H 1 0.740 0.007 . 2 . . . . 133 LEU QD1 . 17293 1 1396 . 1 1 133 133 LEU HD13 H 1 0.740 0.007 . 2 . . . . 133 LEU QD1 . 17293 1 1397 . 1 1 133 133 LEU HD21 H 1 0.674 0.007 . 2 . . . . 133 LEU QD2 . 17293 1 1398 . 1 1 133 133 LEU HD22 H 1 0.674 0.007 . 2 . . . . 133 LEU QD2 . 17293 1 1399 . 1 1 133 133 LEU HD23 H 1 0.674 0.007 . 2 . . . . 133 LEU QD2 . 17293 1 1400 . 1 1 133 133 LEU C C 13 176.608 0.01 . 1 . . . . 133 LEU C . 17293 1 1401 . 1 1 133 133 LEU CA C 13 54.678 0.01 . 1 . . . . 133 LEU CA . 17293 1 1402 . 1 1 133 133 LEU CB C 13 44.236 0.01 . 1 . . . . 133 LEU CB . 17293 1 1403 . 1 1 133 133 LEU CG C 13 27.053 0.01 . 1 . . . . 133 LEU CG . 17293 1 1404 . 1 1 133 133 LEU CD1 C 13 25.743 0.01 . 1 . . . . 133 LEU CD1 . 17293 1 1405 . 1 1 133 133 LEU CD2 C 13 23.532 0.01 . 1 . . . . 133 LEU CD2 . 17293 1 1406 . 1 1 133 133 LEU N N 15 121.733 0.01 . 1 . . . . 133 LEU N . 17293 1 1407 . 1 1 134 134 ILE H H 1 9.034 0.007 . 1 . . . . 134 ILE H . 17293 1 1408 . 1 1 134 134 ILE HA H 1 4.262 0.007 . 1 . . . . 134 ILE HA . 17293 1 1409 . 1 1 134 134 ILE HB H 1 1.547 0.007 . 1 . . . . 134 ILE HB . 17293 1 1410 . 1 1 134 134 ILE HG12 H 1 0.994 0.007 . 2 . . . . 134 ILE HG12 . 17293 1 1411 . 1 1 134 134 ILE HG13 H 1 1.000 0.007 . 2 . . . . 134 ILE HG13 . 17293 1 1412 . 1 1 134 134 ILE HG21 H 1 0.509 0.007 . 1 . . . . 134 ILE QG2 . 17293 1 1413 . 1 1 134 134 ILE HG22 H 1 0.509 0.007 . 1 . . . . 134 ILE QG2 . 17293 1 1414 . 1 1 134 134 ILE HG23 H 1 0.509 0.007 . 1 . . . . 134 ILE QG2 . 17293 1 1415 . 1 1 134 134 ILE HD11 H 1 0.505 0.007 . 1 . . . . 134 ILE QD1 . 17293 1 1416 . 1 1 134 134 ILE HD12 H 1 0.505 0.007 . 1 . . . . 134 ILE QD1 . 17293 1 1417 . 1 1 134 134 ILE HD13 H 1 0.505 0.007 . 1 . . . . 134 ILE QD1 . 17293 1 1418 . 1 1 134 134 ILE C C 13 174.831 0.01 . 1 . . . . 134 ILE C . 17293 1 1419 . 1 1 134 134 ILE CA C 13 60.800 0.01 . 1 . . . . 134 ILE CA . 17293 1 1420 . 1 1 134 134 ILE CB C 13 41.779 0.01 . 1 . . . . 134 ILE CB . 17293 1 1421 . 1 1 134 134 ILE CG1 C 13 27.652 0.01 . 1 . . . . 134 ILE CG1 . 17293 1 1422 . 1 1 134 134 ILE CG2 C 13 19.053 0.01 . 1 . . . . 134 ILE CG2 . 17293 1 1423 . 1 1 134 134 ILE CD1 C 13 15.368 0.01 . 1 . . . . 134 ILE CD1 . 17293 1 1424 . 1 1 134 134 ILE N N 15 121.914 0.01 . 1 . . . . 134 ILE N . 17293 1 1425 . 1 1 135 135 SER H H 1 8.744 0.007 . 1 . . . . 135 SER H . 17293 1 1426 . 1 1 135 135 SER HA H 1 5.124 0.007 . 1 . . . . 135 SER HA . 17293 1 1427 . 1 1 135 135 SER HB2 H 1 3.886 0.007 . 2 . . . . 135 SER HB2 . 17293 1 1428 . 1 1 135 135 SER HB3 H 1 3.724 0.007 . 2 . . . . 135 SER HB3 . 17293 1 1429 . 1 1 135 135 SER C C 13 174.076 0.01 . 1 . . . . 135 SER C . 17293 1 1430 . 1 1 135 135 SER CA C 13 57.774 0.01 . 1 . . . . 135 SER CA . 17293 1 1431 . 1 1 135 135 SER CB C 13 64.926 0.01 . 1 . . . . 135 SER CB . 17293 1 1432 . 1 1 135 135 SER N N 15 121.824 0.01 . 1 . . . . 135 SER N . 17293 1 1433 . 1 1 136 136 CYS H H 1 8.473 0.007 . 1 . . . . 136 CYS H . 17293 1 1434 . 1 1 136 136 CYS HA H 1 3.274 0.007 . 1 . . . . 136 CYS HA . 17293 1 1435 . 1 1 136 136 CYS HB2 H 1 2.683 0.007 . 2 . . . . 136 CYS HB2 . 17293 1 1436 . 1 1 136 136 CYS HB3 H 1 2.323 0.007 . 2 . . . . 136 CYS HB3 . 17293 1 1437 . 1 1 136 136 CYS C C 13 175.586 0.01 . 1 . . . . 136 CYS C . 17293 1 1438 . 1 1 136 136 CYS CA C 13 60.800 0.01 . 1 . . . . 136 CYS CA . 17293 1 1439 . 1 1 136 136 CYS CB C 13 28.800 0.01 . 1 . . . . 136 CYS CB . 17293 1 1440 . 1 1 136 136 CYS N N 15 129.356 0.01 . 1 . . . . 136 CYS N . 17293 1 1441 . 1 1 137 137 ASP H H 1 8.259 0.007 . 1 . . . . 137 ASP H . 17293 1 1442 . 1 1 137 137 ASP HA H 1 4.271 0.007 . 1 . . . . 137 ASP HA . 17293 1 1443 . 1 1 137 137 ASP HB2 H 1 2.921 0.007 . 2 . . . . 137 ASP HB2 . 17293 1 1444 . 1 1 137 137 ASP HB3 H 1 2.707 0.007 . 2 . . . . 137 ASP HB3 . 17293 1 1445 . 1 1 137 137 ASP C C 13 177.168 0.01 . 1 . . . . 137 ASP C . 17293 1 1446 . 1 1 137 137 ASP CA C 13 55.300 0.01 . 1 . . . . 137 ASP CA . 17293 1 1447 . 1 1 137 137 ASP CB C 13 39.993 0.01 . 1 . . . . 137 ASP CB . 17293 1 1448 . 1 1 137 137 ASP N N 15 127.370 0.01 . 1 . . . . 137 ASP N . 17293 1 1449 . 1 1 138 138 THR H H 1 10.309 0.007 . 1 . . . . 138 THR H . 17293 1 1450 . 1 1 138 138 THR HA H 1 4.227 0.007 . 1 . . . . 138 THR HA . 17293 1 1451 . 1 1 138 138 THR HB H 1 3.965 0.007 . 1 . . . . 138 THR HB . 17293 1 1452 . 1 1 138 138 THR HG21 H 1 0.992 0.007 . 1 . . . . 138 THR QG2 . 17293 1 1453 . 1 1 138 138 THR HG22 H 1 0.992 0.007 . 1 . . . . 138 THR QG2 . 17293 1 1454 . 1 1 138 138 THR HG23 H 1 0.992 0.007 . 1 . . . . 138 THR QG2 . 17293 1 1455 . 1 1 138 138 THR C C 13 173.663 0.01 . 1 . . . . 138 THR C . 17293 1 1456 . 1 1 138 138 THR CA C 13 65.734 0.01 . 1 . . . . 138 THR CA . 17293 1 1457 . 1 1 138 138 THR CB C 13 71.876 0.01 . 1 . . . . 138 THR CB . 17293 1 1458 . 1 1 138 138 THR CG2 C 13 21.566 0.01 . 1 . . . . 138 THR CG2 . 17293 1 1459 . 1 1 138 138 THR N N 15 123.927 0.01 . 1 . . . . 138 THR N . 17293 1 1460 . 1 1 139 139 CYS H H 1 8.984 0.007 . 1 . . . . 139 CYS H . 17293 1 1461 . 1 1 139 139 CYS HA H 1 5.045 0.007 . 1 . . . . 139 CYS HA . 17293 1 1462 . 1 1 139 139 CYS HB2 H 1 3.122 0.007 . 2 . . . . 139 CYS HB2 . 17293 1 1463 . 1 1 139 139 CYS HB3 H 1 2.921 0.007 . 2 . . . . 139 CYS HB3 . 17293 1 1464 . 1 1 139 139 CYS C C 13 174.709 0.01 . 1 . . . . 139 CYS C . 17293 1 1465 . 1 1 139 139 CYS CA C 13 58.379 0.01 . 1 . . . . 139 CYS CA . 17293 1 1466 . 1 1 139 139 CYS CB C 13 31.000 0.01 . 1 . . . . 139 CYS CB . 17293 1 1467 . 1 1 139 139 CYS N N 15 128.589 0.01 . 1 . . . . 139 CYS N . 17293 1 1468 . 1 1 140 140 SER H H 1 7.504 0.007 . 1 . . . . 140 SER H . 17293 1 1469 . 1 1 140 140 SER HA H 1 4.484 0.007 . 1 . . . . 140 SER HA . 17293 1 1470 . 1 1 140 140 SER HB2 H 1 3.946 0.007 . 2 . . . . 140 SER HB2 . 17293 1 1471 . 1 1 140 140 SER HB3 H 1 3.846 0.007 . 2 . . . . 140 SER HB3 . 17293 1 1472 . 1 1 140 140 SER C C 13 175.440 0.01 . 1 . . . . 140 SER C . 17293 1 1473 . 1 1 140 140 SER CA C 13 58.989 0.01 . 1 . . . . 140 SER CA . 17293 1 1474 . 1 1 140 140 SER CB C 13 63.975 0.01 . 1 . . . . 140 SER CB . 17293 1 1475 . 1 1 140 140 SER N N 15 111.192 0.01 . 1 . . . . 140 SER N . 17293 1 1476 . 1 1 141 141 LEU H H 1 9.176 0.007 . 1 . . . . 141 LEU H . 17293 1 1477 . 1 1 141 141 LEU HA H 1 4.216 0.007 . 1 . . . . 141 LEU HA . 17293 1 1478 . 1 1 141 141 LEU HB2 H 1 2.095 0.007 . 2 . . . . 141 LEU HB2 . 17293 1 1479 . 1 1 141 141 LEU HB3 H 1 1.174 0.007 . 2 . . . . 141 LEU HB3 . 17293 1 1480 . 1 1 141 141 LEU HG H 1 1.976 0.007 . 1 . . . . 141 LEU HG . 17293 1 1481 . 1 1 141 141 LEU HD11 H 1 0.731 0.007 . 2 . . . . 141 LEU QD1 . 17293 1 1482 . 1 1 141 141 LEU HD12 H 1 0.731 0.007 . 2 . . . . 141 LEU QD1 . 17293 1 1483 . 1 1 141 141 LEU HD13 H 1 0.731 0.007 . 2 . . . . 141 LEU QD1 . 17293 1 1484 . 1 1 141 141 LEU HD21 H 1 0.725 0.007 . 2 . . . . 141 LEU QD2 . 17293 1 1485 . 1 1 141 141 LEU HD22 H 1 0.725 0.007 . 2 . . . . 141 LEU QD2 . 17293 1 1486 . 1 1 141 141 LEU HD23 H 1 0.725 0.007 . 2 . . . . 141 LEU QD2 . 17293 1 1487 . 1 1 141 141 LEU C C 13 175.756 0.01 . 1 . . . . 141 LEU C . 17293 1 1488 . 1 1 141 141 LEU CA C 13 57.000 0.01 . 1 . . . . 141 LEU CA . 17293 1 1489 . 1 1 141 141 LEU CB C 13 43.599 0.01 . 1 . . . . 141 LEU CB . 17293 1 1490 . 1 1 141 141 LEU CG C 13 27.381 0.01 . 1 . . . . 141 LEU CG . 17293 1 1491 . 1 1 141 141 LEU CD1 C 13 26.424 0.01 . 1 . . . . 141 LEU CD1 . 17293 1 1492 . 1 1 141 141 LEU CD2 C 13 22.713 0.01 . 1 . . . . 141 LEU CD2 . 17293 1 1493 . 1 1 141 141 LEU N N 15 127.867 0.01 . 1 . . . . 141 LEU N . 17293 1 1494 . 1 1 142 142 ILE H H 1 7.810 0.007 . 1 . . . . 142 ILE H . 17293 1 1495 . 1 1 142 142 ILE HA H 1 4.982 0.007 . 1 . . . . 142 ILE HA . 17293 1 1496 . 1 1 142 142 ILE HB H 1 1.590 0.007 . 1 . . . . 142 ILE HB . 17293 1 1497 . 1 1 142 142 ILE HG12 H 1 0.957 0.007 . 2 . . . . 142 ILE HG12 . 17293 1 1498 . 1 1 142 142 ILE HG13 H 1 0.952 0.007 . 2 . . . . 142 ILE HG13 . 17293 1 1499 . 1 1 142 142 ILE HG21 H 1 0.756 0.007 . 1 . . . . 142 ILE QG2 . 17293 1 1500 . 1 1 142 142 ILE HG22 H 1 0.756 0.007 . 1 . . . . 142 ILE QG2 . 17293 1 1501 . 1 1 142 142 ILE HG23 H 1 0.756 0.007 . 1 . . . . 142 ILE QG2 . 17293 1 1502 . 1 1 142 142 ILE HD11 H 1 0.727 0.007 . 1 . . . . 142 ILE QD1 . 17293 1 1503 . 1 1 142 142 ILE HD12 H 1 0.727 0.007 . 1 . . . . 142 ILE QD1 . 17293 1 1504 . 1 1 142 142 ILE HD13 H 1 0.727 0.007 . 1 . . . . 142 ILE QD1 . 17293 1 1505 . 1 1 142 142 ILE C C 13 174.539 0.01 . 1 . . . . 142 ILE C . 17293 1 1506 . 1 1 142 142 ILE CA C 13 59.987 0.01 . 1 . . . . 142 ILE CA . 17293 1 1507 . 1 1 142 142 ILE CB C 13 42.500 0.01 . 1 . . . . 142 ILE CB . 17293 1 1508 . 1 1 142 142 ILE CG1 C 13 26.562 0.01 . 1 . . . . 142 ILE CG1 . 17293 1 1509 . 1 1 142 142 ILE CG2 C 13 18.946 0.01 . 1 . . . . 142 ILE CG2 . 17293 1 1510 . 1 1 142 142 ILE CD1 C 13 13.950 0.01 . 1 . . . . 142 ILE CD1 . 17293 1 1511 . 1 1 142 142 ILE N N 15 118.593 0.01 . 1 . . . . 142 ILE N . 17293 1 1512 . 1 1 143 143 ILE H H 1 8.664 0.007 . 1 . . . . 143 ILE H . 17293 1 1513 . 1 1 143 143 ILE HA H 1 4.795 0.007 . 1 . . . . 143 ILE HA . 17293 1 1514 . 1 1 143 143 ILE HB H 1 1.180 0.007 . 1 . . . . 143 ILE HB . 17293 1 1515 . 1 1 143 143 ILE HG12 H 1 0.727 0.007 . 1 . . . . 143 ILE HG12 . 17293 1 1516 . 1 1 143 143 ILE HG13 H 1 0.727 0.007 . 1 . . . . 143 ILE HG13 . 17293 1 1517 . 1 1 143 143 ILE HG21 H 1 0.054 0.007 . 1 . . . . 143 ILE QG2 . 17293 1 1518 . 1 1 143 143 ILE HG22 H 1 0.054 0.007 . 1 . . . . 143 ILE QG2 . 17293 1 1519 . 1 1 143 143 ILE HG23 H 1 0.054 0.007 . 1 . . . . 143 ILE QG2 . 17293 1 1520 . 1 1 143 143 ILE HD11 H 1 0.006 0.007 . 1 . . . . 143 ILE QD1 . 17293 1 1521 . 1 1 143 143 ILE HD12 H 1 0.006 0.007 . 1 . . . . 143 ILE QD1 . 17293 1 1522 . 1 1 143 143 ILE HD13 H 1 0.006 0.007 . 1 . . . . 143 ILE QD1 . 17293 1 1523 . 1 1 143 143 ILE C C 13 174.393 0.01 . 1 . . . . 143 ILE C . 17293 1 1524 . 1 1 143 143 ILE CA C 13 59.428 0.01 . 1 . . . . 143 ILE CA . 17293 1 1525 . 1 1 143 143 ILE CB C 13 41.779 0.01 . 1 . . . . 143 ILE CB . 17293 1 1526 . 1 1 143 143 ILE CG1 C 13 24.842 0.01 . 1 . . . . 143 ILE CG1 . 17293 1 1527 . 1 1 143 143 ILE CG2 C 13 17.717 0.01 . 1 . . . . 143 ILE CG2 . 17293 1 1528 . 1 1 143 143 ILE CD1 C 13 14.287 0.01 . 1 . . . . 143 ILE CD1 . 17293 1 1529 . 1 1 143 143 ILE N N 15 117.828 0.01 . 1 . . . . 143 ILE N . 17293 1 1530 . 1 1 144 144 GLU H H 1 8.220 0.007 . 1 . . . . 144 GLU H . 17293 1 1531 . 1 1 144 144 GLU HA H 1 4.922 0.007 . 1 . . . . 144 GLU HA . 17293 1 1532 . 1 1 144 144 GLU HB2 H 1 1.617 0.007 . 2 . . . . 144 GLU HB2 . 17293 1 1533 . 1 1 144 144 GLU HB3 H 1 1.614 0.007 . 2 . . . . 144 GLU HB3 . 17293 1 1534 . 1 1 144 144 GLU HG2 H 1 2.096 0.007 . 2 . . . . 144 GLU HG2 . 17293 1 1535 . 1 1 144 144 GLU HG3 H 1 2.098 0.007 . 2 . . . . 144 GLU HG3 . 17293 1 1536 . 1 1 144 144 GLU C C 13 173.857 0.01 . 1 . . . . 144 GLU C . 17293 1 1537 . 1 1 144 144 GLU CA C 13 54.042 0.01 . 1 . . . . 144 GLU CA . 17293 1 1538 . 1 1 144 144 GLU CB C 13 33.729 0.01 . 1 . . . . 144 GLU CB . 17293 1 1539 . 1 1 144 144 GLU CG C 13 36.062 0.01 . 1 . . . . 144 GLU CG . 17293 1 1540 . 1 1 144 144 GLU N N 15 121.801 0.01 . 1 . . . . 144 GLU N . 17293 1 1541 . 1 1 145 145 LEU H H 1 8.565 0.007 . 1 . . . . 145 LEU H . 17293 1 1542 . 1 1 145 145 LEU HA H 1 4.487 0.007 . 1 . . . . 145 LEU HA . 17293 1 1543 . 1 1 145 145 LEU HB2 H 1 1.625 0.007 . 2 . . . . 145 LEU HB2 . 17293 1 1544 . 1 1 145 145 LEU HB3 H 1 0.711 0.007 . 2 . . . . 145 LEU HB3 . 17293 1 1545 . 1 1 145 145 LEU HG H 1 0.894 0.007 . 1 . . . . 145 LEU HG . 17293 1 1546 . 1 1 145 145 LEU HD11 H 1 0.510 0.007 . 1 . . . . 145 LEU QD1 . 17293 1 1547 . 1 1 145 145 LEU HD12 H 1 0.510 0.007 . 1 . . . . 145 LEU QD1 . 17293 1 1548 . 1 1 145 145 LEU HD13 H 1 0.510 0.007 . 1 . . . . 145 LEU QD1 . 17293 1 1549 . 1 1 145 145 LEU HD21 H 1 0.511 0.007 . 1 . . . . 145 LEU QD2 . 17293 1 1550 . 1 1 145 145 LEU HD22 H 1 0.511 0.007 . 1 . . . . 145 LEU QD2 . 17293 1 1551 . 1 1 145 145 LEU HD23 H 1 0.511 0.007 . 1 . . . . 145 LEU QD2 . 17293 1 1552 . 1 1 145 145 LEU C C 13 175.221 0.01 . 1 . . . . 145 LEU C . 17293 1 1553 . 1 1 145 145 LEU CA C 13 53.505 0.01 . 1 . . . . 145 LEU CA . 17293 1 1554 . 1 1 145 145 LEU CB C 13 43.560 0.01 . 1 . . . . 145 LEU CB . 17293 1 1555 . 1 1 145 145 LEU CG C 13 27.652 0.01 . 1 . . . . 145 LEU CG . 17293 1 1556 . 1 1 145 145 LEU CD1 C 13 26.644 0.01 . 1 . . . . 145 LEU CD1 . 17293 1 1557 . 1 1 145 145 LEU CD2 C 13 24.221 0.01 . 1 . . . . 145 LEU CD2 . 17293 1 1558 . 1 1 145 145 LEU N N 15 129.135 0.01 . 1 . . . . 145 LEU N . 17293 1 1559 . 1 1 146 146 LEU H H 1 8.542 0.007 . 1 . . . . 146 LEU H . 17293 1 1560 . 1 1 146 146 LEU HA H 1 4.118 0.007 . 1 . . . . 146 LEU HA . 17293 1 1561 . 1 1 146 146 LEU HB2 H 1 0.665 0.007 . 2 . . . . 146 LEU HB2 . 17293 1 1562 . 1 1 146 146 LEU HB3 H 1 0.353 0.007 . 2 . . . . 146 LEU HB3 . 17293 1 1563 . 1 1 146 146 LEU HG H 1 0.902 0.007 . 1 . . . . 146 LEU HG . 17293 1 1564 . 1 1 146 146 LEU HD11 H 1 0.405 0.007 . 2 . . . . 146 LEU QD1 . 17293 1 1565 . 1 1 146 146 LEU HD12 H 1 0.405 0.007 . 2 . . . . 146 LEU QD1 . 17293 1 1566 . 1 1 146 146 LEU HD13 H 1 0.405 0.007 . 2 . . . . 146 LEU QD1 . 17293 1 1567 . 1 1 146 146 LEU HD21 H 1 0.108 0.007 . 2 . . . . 146 LEU QD2 . 17293 1 1568 . 1 1 146 146 LEU HD22 H 1 0.108 0.007 . 2 . . . . 146 LEU QD2 . 17293 1 1569 . 1 1 146 146 LEU HD23 H 1 0.108 0.007 . 2 . . . . 146 LEU QD2 . 17293 1 1570 . 1 1 146 146 LEU C C 13 175.586 0.01 . 1 . . . . 146 LEU C . 17293 1 1571 . 1 1 146 146 LEU CA C 13 53.428 0.01 . 1 . . . . 146 LEU CA . 17293 1 1572 . 1 1 146 146 LEU CB C 13 43.040 0.01 . 1 . . . . 146 LEU CB . 17293 1 1573 . 1 1 146 146 LEU CG C 13 27.038 0.01 . 1 . . . . 146 LEU CG . 17293 1 1574 . 1 1 146 146 LEU CD1 C 13 22.124 0.01 . 1 . . . . 146 LEU CD1 . 17293 1 1575 . 1 1 146 146 LEU CD2 C 13 25.809 0.01 . 1 . . . . 146 LEU CD2 . 17293 1 1576 . 1 1 146 146 LEU N N 15 126.938 0.01 . 1 . . . . 146 LEU N . 17293 1 1577 . 1 1 147 147 HIS H H 1 8.218 0.007 . 1 . . . . 147 HIS H . 17293 1 1578 . 1 1 147 147 HIS HB2 H 1 2.712 0.007 . 2 . . . . 147 HIS HB2 . 17293 1 1579 . 1 1 147 147 HIS HB3 H 1 2.710 0.007 . 2 . . . . 147 HIS HB3 . 17293 1 1580 . 1 1 147 147 HIS CB C 13 31.600 0.01 . 1 . . . . 147 HIS CB . 17293 1 1581 . 1 1 147 147 HIS N N 15 116.727 0.01 . 1 . . . . 147 HIS N . 17293 1 1582 . 1 1 149 149 ASN HD21 H 1 6.557 0.007 . 2 . . . . 149 ASN HD21 . 17293 1 1583 . 1 1 149 149 ASN HD22 H 1 6.737 0.007 . 2 . . . . 149 ASN HD22 . 17293 1 1584 . 1 1 149 149 ASN ND2 N 15 111.951 0.01 . 1 . . . . 149 ASN ND2 . 17293 1 1585 . 1 1 150 150 HIS H H 1 7.787 0.007 . 1 . . . . 150 HIS H . 17293 1 1586 . 1 1 150 150 HIS HA H 1 4.434 0.007 . 1 . . . . 150 HIS HA . 17293 1 1587 . 1 1 150 150 HIS HB2 H 1 2.861 0.007 . 2 . . . . 150 HIS HB2 . 17293 1 1588 . 1 1 150 150 HIS HB3 H 1 2.858 0.007 . 2 . . . . 150 HIS HB3 . 17293 1 1589 . 1 1 150 150 HIS C C 13 174.198 0.01 . 1 . . . . 150 HIS C . 17293 1 1590 . 1 1 150 150 HIS CA C 13 56.400 0.01 . 1 . . . . 150 HIS CA . 17293 1 1591 . 1 1 150 150 HIS CB C 13 31.000 0.01 . 1 . . . . 150 HIS CB . 17293 1 1592 . 1 1 150 150 HIS N N 15 125.794 0.01 . 1 . . . . 150 HIS N . 17293 1 stop_ save_