data_25859 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25859 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural Study of Human Macrophage Metalloelastase (MMP-12) in its inhibitor-free state' 'Structure analysis' ; The data from the entries that make up this study are used to determine the structure of MMP-12 without inhibitor bound. ; 25859 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'Chemical Shift Assignment' 25859 1 1 NMR 25859 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 7089 'Assigned chemical shift entry' 'Virtually Complete 13C 15N and 1H chemical shift assignments' 25859 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25859 _Entry.Title ; Productive complex between MMP-12 and synthetic triple-helical collagen, revealed through paramagnetic NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-24 _Entry.Accession_date 2015-10-24 _Entry.Last_release_date 2016-02-22 _Entry.Original_release_date 2016-02-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stephen Prior . H. . . 25859 2 Steven VanDoren . R. . . 25859 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' . 25859 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Missouri' . 25859 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Collagenolysis . 25859 MMP . 25859 'matrix petalloproteinase' . 25859 'triple-helical collagen' . 25859 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25859 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 635 25859 '15N chemical shifts' 165 25859 '1H chemical shifts' 953 25859 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-02-22 . original BMRB . 25859 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7089 'Uncomplexed form.' 25859 PDB 2N8R 'BMRB Entry Tracking System' 25859 PDB 2poj 'Uncomplexed form.' 25859 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25859 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16855860 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N peak assignments and secondary structure of human macrophage metalloelastase (MMP-12) in its inhibitor-free state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 1' _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 55 _Citation.Page_last 55 _Citation.Year 2006 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rajagopalan Bhaskaran . . . . 25859 1 2 Steven VanDoren . R. . . 25859 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25859 _Assembly.ID 1 _Assembly.Name 'complex between MMP-12 and synthetic triple-helical collagen' _Assembly.BMRB_code . _Assembly.Number_of_components 10 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 25859 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MMP-12 1 $MMP-12 A . yes native no no . . . 25859 1 2 THP_1 2 $THP B . yes native no no . . . 25859 1 3 THP_2 2 $THP C . yes native no no . . . 25859 1 4 THP_3 2 $THP D . yes native no no . . . 25859 1 5 'ZINC ION_1' 3 $entity_ZN E . no native no no . . . 25859 1 6 'ZINC ION_2' 3 $entity_ZN F . no native no no . . . 25859 1 7 'CALCIUM ION_1' 4 $entity_CA G . no native no no . . . 25859 1 8 'CALCIUM ION_2' 4 $entity_CA H . no native no no . . . 25859 1 9 'CALCIUM ION_3' 4 $entity_CA I . no native no no . . . 25859 1 10 water 5 $entity_HOH J . no native no no . . . 25859 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'degrades elastin and alpha1-antitrypsin' 25859 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MMP-12 _Entity.Sf_category entity _Entity.Sf_framecode MMP-12 _Entity.Entry_ID 25859 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MMP-12 _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 ; FREMPGGPVWRKHYITYRIN NYTPDMNREDVDYAIRKAFQ VWSNVTPLKFSKINTGMADI LVVFARGAHGDFHAFDGKGG ILAHAFGPGSGIGGDAHFDE DEFWTTHSGGTNLFLTAVHE IGHSLGLGHSSDPKAVMFPT YKYVDINTFRLSADDIRGIQ SLYG ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18235.561 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Protease- Degrades Elastin and alpha1-antitrypsin' 25859 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID MMP-12 25859 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 . PHE . 25859 1 2 . ARG . 25859 1 3 . GLU . 25859 1 4 . MET . 25859 1 5 . PRO . 25859 1 6 . GLY . 25859 1 7 . GLY . 25859 1 8 . PRO . 25859 1 9 . VAL . 25859 1 10 . TRP . 25859 1 11 . ARG . 25859 1 12 . LYS . 25859 1 13 . HIS . 25859 1 14 . TYR . 25859 1 15 . ILE . 25859 1 16 . THR . 25859 1 17 . TYR . 25859 1 18 . ARG . 25859 1 19 . ILE . 25859 1 20 . ASN . 25859 1 21 . ASN . 25859 1 22 . TYR . 25859 1 23 . THR . 25859 1 24 . PRO . 25859 1 25 . ASP . 25859 1 26 . MET . 25859 1 27 . ASN . 25859 1 28 . ARG . 25859 1 29 . GLU . 25859 1 30 . ASP . 25859 1 31 . VAL . 25859 1 32 . ASP . 25859 1 33 . TYR . 25859 1 34 . ALA . 25859 1 35 . ILE . 25859 1 36 . ARG . 25859 1 37 . LYS . 25859 1 38 . ALA . 25859 1 39 . PHE . 25859 1 40 . GLN . 25859 1 41 . VAL . 25859 1 42 . TRP . 25859 1 43 . SER . 25859 1 44 . ASN . 25859 1 45 . VAL . 25859 1 46 . THR . 25859 1 47 . PRO . 25859 1 48 . LEU . 25859 1 49 . LYS . 25859 1 50 . PHE . 25859 1 51 . SER . 25859 1 52 . LYS . 25859 1 53 . ILE . 25859 1 54 . ASN . 25859 1 55 . THR . 25859 1 56 . GLY . 25859 1 57 . MET . 25859 1 58 . ALA . 25859 1 59 . ASP . 25859 1 60 . ILE . 25859 1 61 . LEU . 25859 1 62 . VAL . 25859 1 63 . VAL . 25859 1 64 . PHE . 25859 1 65 . ALA . 25859 1 66 . ARG . 25859 1 67 . GLY . 25859 1 68 . ALA . 25859 1 69 . HIS . 25859 1 70 . GLY . 25859 1 71 . ASP . 25859 1 72 . PHE . 25859 1 73 . HIS . 25859 1 74 . ALA . 25859 1 75 . PHE . 25859 1 76 . ASP . 25859 1 77 . GLY . 25859 1 78 . LYS . 25859 1 79 . GLY . 25859 1 80 . GLY . 25859 1 81 . ILE . 25859 1 82 . LEU . 25859 1 83 . ALA . 25859 1 84 . HIS . 25859 1 85 . ALA . 25859 1 86 . PHE . 25859 1 87 . GLY . 25859 1 88 . PRO . 25859 1 89 . GLY . 25859 1 90 . SER . 25859 1 91 . GLY . 25859 1 92 . ILE . 25859 1 93 . GLY . 25859 1 94 . GLY . 25859 1 95 . ASP . 25859 1 96 . ALA . 25859 1 97 . HIS . 25859 1 98 . PHE . 25859 1 99 . ASP . 25859 1 100 . GLU . 25859 1 101 . ASP . 25859 1 102 . GLU . 25859 1 103 . PHE . 25859 1 104 . TRP . 25859 1 105 . THR . 25859 1 106 . THR . 25859 1 107 . HIS . 25859 1 108 . SER . 25859 1 109 . GLY . 25859 1 110 . GLY . 25859 1 111 . THR . 25859 1 112 . ASN . 25859 1 113 . LEU . 25859 1 114 . PHE . 25859 1 115 . LEU . 25859 1 116 . THR . 25859 1 117 . ALA . 25859 1 118 . VAL . 25859 1 119 . HIS . 25859 1 120 . GLU . 25859 1 121 . ILE . 25859 1 122 . GLY . 25859 1 123 . HIS . 25859 1 124 . SER . 25859 1 125 . LEU . 25859 1 126 . GLY . 25859 1 127 . LEU . 25859 1 128 . GLY . 25859 1 129 . HIS . 25859 1 130 . SER . 25859 1 131 . SER . 25859 1 132 . ASP . 25859 1 133 . PRO . 25859 1 134 . LYS . 25859 1 135 . ALA . 25859 1 136 . VAL . 25859 1 137 . MET . 25859 1 138 . PHE . 25859 1 139 . PRO . 25859 1 140 . THR . 25859 1 141 . TYR . 25859 1 142 . LYS . 25859 1 143 . TYR . 25859 1 144 . VAL . 25859 1 145 . ASP . 25859 1 146 . ILE . 25859 1 147 . ASN . 25859 1 148 . THR . 25859 1 149 . PHE . 25859 1 150 . ARG . 25859 1 151 . LEU . 25859 1 152 . SER . 25859 1 153 . ALA . 25859 1 154 . ASP . 25859 1 155 . ASP . 25859 1 156 . ILE . 25859 1 157 . ARG . 25859 1 158 . GLY . 25859 1 159 . ILE . 25859 1 160 . GLN . 25859 1 161 . SER . 25859 1 162 . LEU . 25859 1 163 . TYR . 25859 1 164 . GLY . 25859 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 . PHE 1 1 25859 1 . ARG 2 2 25859 1 . GLU 3 3 25859 1 . MET 4 4 25859 1 . PRO 5 5 25859 1 . GLY 6 6 25859 1 . GLY 7 7 25859 1 . PRO 8 8 25859 1 . VAL 9 9 25859 1 . TRP 10 10 25859 1 . ARG 11 11 25859 1 . LYS 12 12 25859 1 . HIS 13 13 25859 1 . TYR 14 14 25859 1 . ILE 15 15 25859 1 . THR 16 16 25859 1 . TYR 17 17 25859 1 . ARG 18 18 25859 1 . ILE 19 19 25859 1 . ASN 20 20 25859 1 . ASN 21 21 25859 1 . TYR 22 22 25859 1 . THR 23 23 25859 1 . PRO 24 24 25859 1 . ASP 25 25 25859 1 . MET 26 26 25859 1 . ASN 27 27 25859 1 . ARG 28 28 25859 1 . GLU 29 29 25859 1 . ASP 30 30 25859 1 . VAL 31 31 25859 1 . ASP 32 32 25859 1 . TYR 33 33 25859 1 . ALA 34 34 25859 1 . ILE 35 35 25859 1 . ARG 36 36 25859 1 . LYS 37 37 25859 1 . ALA 38 38 25859 1 . PHE 39 39 25859 1 . GLN 40 40 25859 1 . VAL 41 41 25859 1 . TRP 42 42 25859 1 . SER 43 43 25859 1 . ASN 44 44 25859 1 . VAL 45 45 25859 1 . THR 46 46 25859 1 . PRO 47 47 25859 1 . LEU 48 48 25859 1 . LYS 49 49 25859 1 . PHE 50 50 25859 1 . SER 51 51 25859 1 . LYS 52 52 25859 1 . ILE 53 53 25859 1 . ASN 54 54 25859 1 . THR 55 55 25859 1 . GLY 56 56 25859 1 . MET 57 57 25859 1 . ALA 58 58 25859 1 . ASP 59 59 25859 1 . ILE 60 60 25859 1 . LEU 61 61 25859 1 . VAL 62 62 25859 1 . VAL 63 63 25859 1 . PHE 64 64 25859 1 . ALA 65 65 25859 1 . ARG 66 66 25859 1 . GLY 67 67 25859 1 . ALA 68 68 25859 1 . HIS 69 69 25859 1 . GLY 70 70 25859 1 . ASP 71 71 25859 1 . PHE 72 72 25859 1 . HIS 73 73 25859 1 . ALA 74 74 25859 1 . PHE 75 75 25859 1 . ASP 76 76 25859 1 . GLY 77 77 25859 1 . LYS 78 78 25859 1 . GLY 79 79 25859 1 . GLY 80 80 25859 1 . ILE 81 81 25859 1 . LEU 82 82 25859 1 . ALA 83 83 25859 1 . HIS 84 84 25859 1 . ALA 85 85 25859 1 . PHE 86 86 25859 1 . GLY 87 87 25859 1 . PRO 88 88 25859 1 . GLY 89 89 25859 1 . SER 90 90 25859 1 . GLY 91 91 25859 1 . ILE 92 92 25859 1 . GLY 93 93 25859 1 . GLY 94 94 25859 1 . ASP 95 95 25859 1 . ALA 96 96 25859 1 . HIS 97 97 25859 1 . PHE 98 98 25859 1 . ASP 99 99 25859 1 . GLU 100 100 25859 1 . ASP 101 101 25859 1 . GLU 102 102 25859 1 . PHE 103 103 25859 1 . TRP 104 104 25859 1 . THR 105 105 25859 1 . THR 106 106 25859 1 . HIS 107 107 25859 1 . SER 108 108 25859 1 . GLY 109 109 25859 1 . GLY 110 110 25859 1 . THR 111 111 25859 1 . ASN 112 112 25859 1 . LEU 113 113 25859 1 . PHE 114 114 25859 1 . LEU 115 115 25859 1 . THR 116 116 25859 1 . ALA 117 117 25859 1 . VAL 118 118 25859 1 . HIS 119 119 25859 1 . GLU 120 120 25859 1 . ILE 121 121 25859 1 . GLY 122 122 25859 1 . HIS 123 123 25859 1 . SER 124 124 25859 1 . LEU 125 125 25859 1 . GLY 126 126 25859 1 . LEU 127 127 25859 1 . GLY 128 128 25859 1 . HIS 129 129 25859 1 . SER 130 130 25859 1 . SER 131 131 25859 1 . ASP 132 132 25859 1 . PRO 133 133 25859 1 . LYS 134 134 25859 1 . ALA 135 135 25859 1 . VAL 136 136 25859 1 . MET 137 137 25859 1 . PHE 138 138 25859 1 . PRO 139 139 25859 1 . THR 140 140 25859 1 . TYR 141 141 25859 1 . LYS 142 142 25859 1 . TYR 143 143 25859 1 . VAL 144 144 25859 1 . ASP 145 145 25859 1 . ILE 146 146 25859 1 . ASN 147 147 25859 1 . THR 148 148 25859 1 . PHE 149 149 25859 1 . ARG 150 150 25859 1 . LEU 151 151 25859 1 . SER 152 152 25859 1 . ALA 153 153 25859 1 . ASP 154 154 25859 1 . ASP 155 155 25859 1 . ILE 156 156 25859 1 . ARG 157 157 25859 1 . GLY 158 158 25859 1 . ILE 159 159 25859 1 . GLN 160 160 25859 1 . SER 161 161 25859 1 . LEU 162 162 25859 1 . TYR 163 163 25859 1 . GLY 164 164 25859 1 stop_ save_ save_THP _Entity.Sf_category entity _Entity.Sf_framecode THP _Entity.Entry_ID 25859 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name THP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPXGPXGPXGPXGPPGVVGE QGEQGPXGPXGPXGPX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3291.483 _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 . GLY . 25859 2 2 . PRO . 25859 2 3 . HYP . 25859 2 4 . GLY . 25859 2 5 . PRO . 25859 2 6 . HYP . 25859 2 7 . GLY . 25859 2 8 . PRO . 25859 2 9 . HYP . 25859 2 10 . GLY . 25859 2 11 . PRO . 25859 2 12 . HYP . 25859 2 13 . GLY . 25859 2 14 . PRO . 25859 2 15 . PRO . 25859 2 16 . GLY . 25859 2 17 . VAL . 25859 2 18 . VAL . 25859 2 19 . GLY . 25859 2 20 . GLU . 25859 2 21 . GLN . 25859 2 22 . GLY . 25859 2 23 . GLU . 25859 2 24 . GLN . 25859 2 25 . GLY . 25859 2 26 . PRO . 25859 2 27 . HYP . 25859 2 28 . GLY . 25859 2 29 . PRO . 25859 2 30 . HYP . 25859 2 31 . GLY . 25859 2 32 . PRO . 25859 2 33 . HYP . 25859 2 34 . GLY . 25859 2 35 . PRO . 25859 2 36 . HYP . 25859 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25859 2 . PRO 2 2 25859 2 . HYP 3 3 25859 2 . GLY 4 4 25859 2 . PRO 5 5 25859 2 . HYP 6 6 25859 2 . GLY 7 7 25859 2 . PRO 8 8 25859 2 . HYP 9 9 25859 2 . GLY 10 10 25859 2 . PRO 11 11 25859 2 . HYP 12 12 25859 2 . GLY 13 13 25859 2 . PRO 14 14 25859 2 . PRO 15 15 25859 2 . GLY 16 16 25859 2 . VAL 17 17 25859 2 . VAL 18 18 25859 2 . GLY 19 19 25859 2 . GLU 20 20 25859 2 . GLN 21 21 25859 2 . GLY 22 22 25859 2 . GLU 23 23 25859 2 . GLN 24 24 25859 2 . GLY 25 25 25859 2 . PRO 26 26 25859 2 . HYP 27 27 25859 2 . GLY 28 28 25859 2 . PRO 29 29 25859 2 . HYP 30 30 25859 2 . GLY 31 31 25859 2 . PRO 32 32 25859 2 . HYP 33 33 25859 2 . GLY 34 34 25859 2 . PRO 35 35 25859 2 . HYP 36 36 25859 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25859 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25859 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25859 3 ZN 'Three letter code' 25859 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25859 3 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25859 _Entity.ID 4 _Entity.BMRB_code CA _Entity.Name entity_CA _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25859 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25859 4 CA 'Three letter code' 25859 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25859 4 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 25859 _Entity.ID 5 _Entity.BMRB_code HOH _Entity.Name entity_HOH _Entity.Type water _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 25859 5 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 25859 5 HOH 'Three letter code' 25859 5 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HOH $chem_comp_HOH 25859 5 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 25859 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MMP-12 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25859 1 2 2 $THP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25859 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 25859 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MMP-12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)RIL . . . . . pET-22b . . . 25859 1 2 2 $THP . 'chemical synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 25859 1 3 3 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25859 1 4 4 $entity_CA . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25859 1 5 5 $entity_HOH . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25859 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID 25859 _Chem_comp.ID HYP _Chem_comp.Provenance PDB _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code HYP _Chem_comp.PDB_code HYP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code HYP _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 _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 PRO _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 HYDROXYPROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C(CNC1C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 25859 HYP C1[C@H](CN[C@@H]1C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25859 HYP InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 InChI InChI 1.03 25859 HYP O=C(O)C1NCC(O)C1 SMILES ACDLabs 10.04 25859 HYP O[C@H]1CN[C@@H](C1)C(O)=O SMILES_CANONICAL CACTVS 3.341 25859 HYP O[CH]1CN[CH](C1)C(O)=O SMILES CACTVS 3.341 25859 HYP PMMYEEVYMWASQN-DMTCNVIQSA-N InChIKey InChI 1.03 25859 HYP 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 '(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25859 HYP (4R)-4-hydroxy-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 25859 HYP 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 N N N N . N . . N 0 . . . 1 no no . . . . -3.366 . 16.585 . 44.188 . 0.168 1.360 -0.282 1 . 25859 HYP CA CA CA CA . C . . S 0 . . . 1 no no . . . . -2.955 . 15.768 . 43.044 . -0.384 -0.003 -0.493 2 . 25859 HYP C C C C . C . . N 0 . . . 1 no no . . . . -1.447 . 15.609 . 43.030 . -1.811 -0.072 -0.013 3 . 25859 HYP O O O O . O . . N 0 . . . 1 no no . . . . -0.722 . 16.484 . 43.503 . -2.233 0.764 0.750 4 . 25859 HYP CB CB CB CB . C . . N 0 . . . 1 no no . . . . -3.408 . 16.578 . 41.829 . 0.515 -0.924 0.359 5 . 25859 HYP CG CG CG CG . C . . R 0 . . . 1 no no . . . . -4.437 . 17.482 . 42.330 . 1.847 -0.159 0.505 6 . 25859 HYP CD CD CD CD . C . . N 0 . . . 1 no no . . . . -4.068 . 17.803 . 43.753 . 1.640 1.159 -0.271 7 . 25859 HYP OD1 OD1 OD1 OD . O . . N 0 . . . 1 no no . . . . -5.693 . 16.815 . 42.294 . 2.917 -0.911 -0.071 8 . 25859 HYP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -0.976 . 14.502 . 42.469 . -2.614 -1.063 -0.433 9 . 25859 HYP H H H H . H . . N 0 . . . 1 no yes . . . . -3.980 . 16.047 . 44.765 . -0.107 1.981 -1.028 10 . 25859 HYP HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.385 . 14.756 . 43.068 . -0.325 -0.278 -1.546 11 . 25859 HYP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . -2.567 . 17.141 . 41.398 . 0.066 -1.092 1.337 12 . 25859 HYP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . -3.790 . 15.930 . 41.026 . 0.678 -1.873 -0.153 13 . 25859 HYP HG HG HG HG . H . . N 0 . . . 1 no no . . . . -4.508 . 18.399 . 41.726 . 2.052 0.048 1.555 14 . 25859 HYP HD22 HD22 HD22 1HD . H . . N 0 . . . 0 no no . . . . -4.956 . 18.005 . 44.370 . 2.018 1.065 -1.289 15 . 25859 HYP HD23 HD23 HD23 2HD . H . . N 0 . . . 0 no no . . . . -3.457 . 18.713 . 43.848 . 2.132 1.985 0.243 16 . 25859 HYP HD1 HD1 HD1 HOD . H . . N 0 . . . 1 no no . . . . -5.999 . 16.666 . 43.181 . 3.780 -0.479 -0.009 17 . 25859 HYP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.027 . 14.511 . 42.499 . -3.520 -1.066 -0.098 18 . 25859 HYP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 25859 HYP 2 . SING N CD no N 2 . 25859 HYP 3 . SING N H no N 3 . 25859 HYP 4 . SING CA C no N 4 . 25859 HYP 5 . SING CA CB no N 5 . 25859 HYP 6 . SING CA HA no N 6 . 25859 HYP 7 . DOUB C O no N 7 . 25859 HYP 8 . SING C OXT no N 8 . 25859 HYP 9 . SING CB CG no N 9 . 25859 HYP 10 . SING CB HB2 no N 10 . 25859 HYP 11 . SING CB HB3 no N 11 . 25859 HYP 12 . SING CG CD no N 12 . 25859 HYP 13 . SING CG OD1 no N 13 . 25859 HYP 14 . SING CG HG no N 14 . 25859 HYP 15 . SING CD HD22 no N 15 . 25859 HYP 16 . SING CD HD23 no N 16 . 25859 HYP 17 . SING OD1 HD1 no N 17 . 25859 HYP 18 . SING OXT HXT no N 18 . 25859 HYP stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25859 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 . _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=1S/Zn/q+2 InChI InChI 1.03 25859 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25859 ZN [Zn++] SMILES CACTVS 3.341 25859 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25859 ZN [Zn+2] SMILES ACDLabs 10.04 25859 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25859 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25859 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 25859 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25859 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25859 ZN stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25859 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25859 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25859 CA [Ca++] SMILES CACTVS 3.341 25859 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25859 CA [Ca+2] SMILES ACDLabs 10.04 25859 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25859 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25859 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25859 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25859 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25859 CA stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 25859 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _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 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 25859 HOH O SMILES ACDLabs 10.04 25859 HOH O SMILES CACTVS 3.341 25859 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 25859 HOH O SMILES_CANONICAL CACTVS 3.341 25859 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25859 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 25859 HOH 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 oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25859 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 25859 HOH 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 O O O O . O . . N 0 . . . 1 no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 25859 HOH H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 25859 HOH H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 25859 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 25859 HOH 2 . SING O H2 no N 2 . 25859 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Unprimed _Sample.Sf_category sample _Sample.Sf_framecode Unprimed _Sample.Entry_ID 25859 _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 MMP-12 '[U-99% 15N]' . . 1 $MMP-12 . protein 0.4 . . mM . . . . 25859 1 2 THP 'TOAC labelled in P5 position' . . 2 $THP . . 0.6 . . mM . . . . 25859 1 stop_ save_ save_Primed _Sample.Sf_category sample _Sample.Sf_framecode Primed _Sample.Entry_ID 25859 _Sample.ID 2 _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 MMP-12 '[U-100% 12C; U-100% 15N; U-100% 2H; U-100% 13CH3]' . . 1 $MMP-12 . protein 0.25 . . mM . . . . 25859 2 2 THP "TOAC labelled in P8' position" . . 2 $THP . . 0.38 . . mM . . . . 25859 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_Unprimed _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_Unprimed _Sample_condition_list.Entry_ID 25859 _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 6.6 0.05 pH 25859 1 temperature 299 1 K 25859 1 stop_ save_ save_sample_conditions_Primed _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_Primed _Sample_condition_list.Entry_ID 25859 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.05 pH 25859 2 temperature 299 1 K 25859 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25859 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25859 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25859 1 processing 25859 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25859 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25859 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25859 2 'peak picking' 25859 2 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 25859 _Software.ID 3 _Software.Name HADDOCK _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 25859 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25859 3 stop_ save_ save_q_test-py _Software.Sf_category software _Software.Sf_framecode q_test-py _Software.Entry_ID 25859 _Software.ID 4 _Software.Name q_test.py _Software.Version . _Software.Details In-house loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Stephen H. Prior' . . 25859 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25859 4 stop_ save_ save_GROMOS _Software.Sf_category software _Software.Sf_framecode GROMOS _Software.Entry_ID 25859 _Software.ID 5 _Software.Name GROMOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'van Gunsteren and Berendsen' . . 25859 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25859 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 25859 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 600 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 600 _NMR_spectrometer.Field_strength 800 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 25859 _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 800MHz_spectrometer Bruker Avance 600 800 600 . . 25859 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 25859 _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 $Unprimed isotropic . . 1 $sample_conditions_Unprimed . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 25859 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Primed isotropic . . 2 $sample_conditions_Primed . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 25859 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Primed isotropic . . 2 $sample_conditions_Primed . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 25859 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 25859 _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 . . . . . . . . . 25859 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25859 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25859 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25859 _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_Unprimed _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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' . . . 25859 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25859 1 2 $Analysis . . 25859 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 ARG H H 1 9.060 0.04 . 1 . . . A 101 ARG H . 25859 1 2 . 1 1 2 2 ARG HA H 1 4.550 0.04 . 1 . . . A 101 ARG HA . 25859 1 3 . 1 1 2 2 ARG HB3 H 1 1.820 0.04 . 2 . . . A 101 ARG HB3 . 25859 1 4 . 1 1 2 2 ARG HG2 H 1 1.670 0.04 . 2 . . . A 101 ARG HG2 . 25859 1 5 . 1 1 2 2 ARG HD3 H 1 3.110 0.04 . 2 . . . A 101 ARG HD3 . 25859 1 6 . 1 1 2 2 ARG C C 13 175.600 0.30 . 1 . . . A 101 ARG C . 25859 1 7 . 1 1 2 2 ARG CA C 13 57.880 0.30 . 1 . . . A 101 ARG CA . 25859 1 8 . 1 1 2 2 ARG CB C 13 29.530 0.30 . 1 . . . A 101 ARG CB . 25859 1 9 . 1 1 2 2 ARG CG C 13 26.900 0.30 . 1 . . . A 101 ARG CG . 25859 1 10 . 1 1 2 2 ARG CD C 13 41.500 0.30 . 1 . . . A 101 ARG CD . 25859 1 11 . 1 1 2 2 ARG N N 15 118.080 0.40 . 1 . . . A 101 ARG N . 25859 1 12 . 1 1 3 3 GLU H H 1 8.950 0.04 . 1 . . . A 102 GLU H . 25859 1 13 . 1 1 3 3 GLU HA H 1 4.220 0.04 . 1 . . . A 102 GLU HA . 25859 1 14 . 1 1 3 3 GLU HB3 H 1 1.570 0.04 . 2 . . . A 102 GLU HB3 . 25859 1 15 . 1 1 3 3 GLU HG3 H 1 2.360 0.04 . 2 . . . A 102 GLU HG3 . 25859 1 16 . 1 1 3 3 GLU C C 13 173.300 0.30 . 1 . . . A 102 GLU C . 25859 1 17 . 1 1 3 3 GLU CA C 13 61.720 0.30 . 1 . . . A 102 GLU CA . 25859 1 18 . 1 1 3 3 GLU CB C 13 35.300 0.30 . 1 . . . A 102 GLU CB . 25859 1 19 . 1 1 3 3 GLU CG C 13 39.600 0.30 . 1 . . . A 102 GLU CG . 25859 1 20 . 1 1 3 3 GLU N N 15 124.230 0.40 . 1 . . . A 102 GLU N . 25859 1 21 . 1 1 4 4 MET H H 1 7.620 0.04 . 1 . . . A 103 MET H . 25859 1 22 . 1 1 4 4 MET HA H 1 4.690 0.04 . 1 . . . A 103 MET HA . 25859 1 23 . 1 1 4 4 MET HB2 H 1 1.690 0.04 . 2 . . . A 103 MET HB2 . 25859 1 24 . 1 1 4 4 MET HB3 H 1 1.470 0.04 . 2 . . . A 103 MET HB3 . 25859 1 25 . 1 1 4 4 MET CA C 13 53.600 0.30 . 1 . . . A 103 MET CA . 25859 1 26 . 1 1 4 4 MET CE C 13 19.000 0.30 . 1 . . . A 103 MET CE . 25859 1 27 . 1 1 4 4 MET N N 15 130.090 0.40 . 1 . . . A 103 MET N . 25859 1 28 . 1 1 5 5 PRO HA H 1 4.350 0.04 . 1 . . . A 104 PRO HA . 25859 1 29 . 1 1 5 5 PRO HB3 H 1 2.310 0.04 . 2 . . . A 104 PRO HB3 . 25859 1 30 . 1 1 5 5 PRO HG3 H 1 1.990 0.04 . 2 . . . A 104 PRO HG3 . 25859 1 31 . 1 1 5 5 PRO HD3 H 1 3.700 0.04 . 2 . . . A 104 PRO HD3 . 25859 1 32 . 1 1 5 5 PRO C C 13 177.400 0.30 . 1 . . . A 104 PRO C . 25859 1 33 . 1 1 5 5 PRO CA C 13 63.540 0.30 . 1 . . . A 104 PRO CA . 25859 1 34 . 1 1 5 5 PRO CB C 13 32.450 0.30 . 1 . . . A 104 PRO CB . 25859 1 35 . 1 1 5 5 PRO CG C 13 27.400 0.30 . 1 . . . A 104 PRO CG . 25859 1 36 . 1 1 5 5 PRO CD C 13 47.600 0.30 . 1 . . . A 104 PRO CD . 25859 1 37 . 1 1 6 6 GLY H H 1 8.420 0.04 . 1 . . . A 105 GLY H . 25859 1 38 . 1 1 6 6 GLY HA2 H 1 3.920 0.04 . 2 . . . A 105 GLY HA2 . 25859 1 39 . 1 1 6 6 GLY HA3 H 1 4.380 0.04 . 2 . . . A 105 GLY HA3 . 25859 1 40 . 1 1 6 6 GLY CA C 13 45.360 0.30 . 1 . . . A 105 GLY CA . 25859 1 41 . 1 1 6 6 GLY N N 15 109.410 0.40 . 1 . . . A 105 GLY N . 25859 1 42 . 1 1 7 7 GLY H H 1 7.960 0.04 . 1 . . . A 106 GLY H . 25859 1 43 . 1 1 7 7 GLY HA2 H 1 3.890 0.04 . 2 . . . A 106 GLY HA2 . 25859 1 44 . 1 1 7 7 GLY HA3 H 1 4.090 0.04 . 2 . . . A 106 GLY HA3 . 25859 1 45 . 1 1 7 7 GLY CA C 13 44.490 0.30 . 1 . . . A 106 GLY CA . 25859 1 46 . 1 1 7 7 GLY N N 15 108.230 0.40 . 1 . . . A 106 GLY N . 25859 1 47 . 1 1 8 8 PRO HA H 1 3.830 0.04 . 1 . . . A 107 PRO HA . 25859 1 48 . 1 1 8 8 PRO HB2 H 1 2.220 0.04 . 2 . . . A 107 PRO HB2 . 25859 1 49 . 1 1 8 8 PRO HB3 H 1 2.000 0.04 . 2 . . . A 107 PRO HB3 . 25859 1 50 . 1 1 8 8 PRO HG3 H 1 1.750 0.04 . 2 . . . A 107 PRO HG3 . 25859 1 51 . 1 1 8 8 PRO HD2 H 1 3.600 0.04 . 2 . . . A 107 PRO HD2 . 25859 1 52 . 1 1 8 8 PRO HD3 H 1 3.490 0.04 . 2 . . . A 107 PRO HD3 . 25859 1 53 . 1 1 8 8 PRO CA C 13 64.520 0.30 . 1 . . . A 107 PRO CA . 25859 1 54 . 1 1 8 8 PRO CB C 13 35.000 0.30 . 1 . . . A 107 PRO CB . 25859 1 55 . 1 1 9 9 VAL H H 1 7.010 0.04 . 1 . . . A 108 VAL H . 25859 1 56 . 1 1 9 9 VAL HA H 1 4.630 0.04 . 1 . . . A 108 VAL HA . 25859 1 57 . 1 1 9 9 VAL HB H 1 1.740 0.04 . 1 . . . A 108 VAL HB . 25859 1 58 . 1 1 9 9 VAL HG11 H 1 0.690 0.04 . 2 . . . A 108 VAL HG11 . 25859 1 59 . 1 1 9 9 VAL HG12 H 1 0.690 0.04 . 2 . . . A 108 VAL HG12 . 25859 1 60 . 1 1 9 9 VAL HG13 H 1 0.690 0.04 . 2 . . . A 108 VAL HG13 . 25859 1 61 . 1 1 9 9 VAL HG21 H 1 0.600 0.04 . 2 . . . A 108 VAL HG21 . 25859 1 62 . 1 1 9 9 VAL HG22 H 1 0.600 0.04 . 2 . . . A 108 VAL HG22 . 25859 1 63 . 1 1 9 9 VAL HG23 H 1 0.600 0.04 . 2 . . . A 108 VAL HG23 . 25859 1 64 . 1 1 9 9 VAL CA C 13 59.040 0.30 . 1 . . . A 108 VAL CA . 25859 1 65 . 1 1 9 9 VAL N N 15 109.090 0.40 . 1 . . . A 108 VAL N . 25859 1 66 . 1 1 10 10 TRP HB2 H 1 2.950 0.04 . 2 . . . A 109 TRP HB2 . 25859 1 67 . 1 1 10 10 TRP HB3 H 1 2.810 0.04 . 2 . . . A 109 TRP HB3 . 25859 1 68 . 1 1 10 10 TRP HD1 H 1 7.200 0.04 . 1 . . . A 109 TRP HD1 . 25859 1 69 . 1 1 10 10 TRP HE1 H 1 10.100 0.04 . 1 . . . A 109 TRP HE1 . 25859 1 70 . 1 1 10 10 TRP HE3 H 1 7.800 0.04 . 1 . . . A 109 TRP HE3 . 25859 1 71 . 1 1 10 10 TRP HZ2 H 1 7.430 0.04 . 1 . . . A 109 TRP HZ2 . 25859 1 72 . 1 1 10 10 TRP HH2 H 1 7.190 0.04 . 1 . . . A 109 TRP HH2 . 25859 1 73 . 1 1 10 10 TRP CB C 13 27.000 0.30 . 1 . . . A 109 TRP CB . 25859 1 74 . 1 1 10 10 TRP CD1 C 13 122.500 0.30 . 1 . . . A 109 TRP CD1 . 25859 1 75 . 1 1 10 10 TRP CE3 C 13 119.000 0.30 . 1 . . . A 109 TRP CE3 . 25859 1 76 . 1 1 10 10 TRP CZ2 C 13 112.000 0.30 . 1 . . . A 109 TRP CZ2 . 25859 1 77 . 1 1 10 10 TRP CH2 C 13 122.300 0.30 . 1 . . . A 109 TRP CH2 . 25859 1 78 . 1 1 10 10 TRP NE1 N 15 130.000 0.40 . 1 . . . A 109 TRP NE1 . 25859 1 79 . 1 1 11 11 ARG H H 1 8.550 0.04 . 1 . . . A 110 ARG H . 25859 1 80 . 1 1 11 11 ARG HA H 1 4.560 0.04 . 1 . . . A 110 ARG HA . 25859 1 81 . 1 1 11 11 ARG HB3 H 1 1.720 0.04 . 2 . . . A 110 ARG HB3 . 25859 1 82 . 1 1 11 11 ARG HG2 H 1 1.560 0.04 . 2 . . . A 110 ARG HG2 . 25859 1 83 . 1 1 11 11 ARG HD2 H 1 3.170 0.04 . 2 . . . A 110 ARG HD2 . 25859 1 84 . 1 1 11 11 ARG HD3 H 1 2.970 0.04 . 2 . . . A 110 ARG HD3 . 25859 1 85 . 1 1 11 11 ARG C C 13 176.500 0.30 . 1 . . . A 110 ARG C . 25859 1 86 . 1 1 11 11 ARG CA C 13 55.600 0.30 . 1 . . . A 110 ARG CA . 25859 1 87 . 1 1 11 11 ARG CB C 13 28.800 0.30 . 1 . . . A 110 ARG CB . 25859 1 88 . 1 1 11 11 ARG CG C 13 27.300 0.30 . 1 . . . A 110 ARG CG . 25859 1 89 . 1 1 11 11 ARG CD C 13 43.300 0.30 . 1 . . . A 110 ARG CD . 25859 1 90 . 1 1 11 11 ARG N N 15 118.180 0.40 . 1 . . . A 110 ARG N . 25859 1 91 . 1 1 12 12 LYS H H 1 7.530 0.04 . 1 . . . A 111 LYS H . 25859 1 92 . 1 1 12 12 LYS HA H 1 4.540 0.04 . 1 . . . A 111 LYS HA . 25859 1 93 . 1 1 12 12 LYS HB2 H 1 2.130 0.04 . 2 . . . A 111 LYS HB2 . 25859 1 94 . 1 1 12 12 LYS HB3 H 1 1.970 0.04 . 2 . . . A 111 LYS HB3 . 25859 1 95 . 1 1 12 12 LYS HG2 H 1 1.400 0.04 . 2 . . . A 111 LYS HG2 . 25859 1 96 . 1 1 12 12 LYS HG3 H 1 1.190 0.04 . 2 . . . A 111 LYS HG3 . 25859 1 97 . 1 1 12 12 LYS HD2 H 1 1.750 0.04 . 2 . . . A 111 LYS HD2 . 25859 1 98 . 1 1 12 12 LYS HE2 H 1 3.470 0.04 . 2 . . . A 111 LYS HE2 . 25859 1 99 . 1 1 12 12 LYS C C 13 174.100 0.30 . 1 . . . A 111 LYS C . 25859 1 100 . 1 1 12 12 LYS CA C 13 54.530 0.30 . 1 . . . A 111 LYS CA . 25859 1 101 . 1 1 12 12 LYS CB C 13 26.800 0.30 . 1 . . . A 111 LYS CB . 25859 1 102 . 1 1 12 12 LYS CG C 13 22.500 0.30 . 1 . . . A 111 LYS CG . 25859 1 103 . 1 1 12 12 LYS CD C 13 27.600 0.30 . 1 . . . A 111 LYS CD . 25859 1 104 . 1 1 12 12 LYS N N 15 115.550 0.40 . 1 . . . A 111 LYS N . 25859 1 105 . 1 1 13 13 HIS H H 1 8.390 0.04 . 1 . . . A 112 HIS H . 25859 1 106 . 1 1 13 13 HIS HA H 1 4.820 0.04 . 1 . . . A 112 HIS HA . 25859 1 107 . 1 1 13 13 HIS HB2 H 1 2.800 0.04 . 2 . . . A 112 HIS HB2 . 25859 1 108 . 1 1 13 13 HIS HB3 H 1 3.310 0.04 . 2 . . . A 112 HIS HB3 . 25859 1 109 . 1 1 13 13 HIS HD2 H 1 6.680 0.04 . 1 . . . A 112 HIS HD2 . 25859 1 110 . 1 1 13 13 HIS HE1 H 1 8.110 0.04 . 1 . . . A 112 HIS HE1 . 25859 1 111 . 1 1 13 13 HIS C C 13 173.300 0.30 . 1 . . . A 112 HIS C . 25859 1 112 . 1 1 13 13 HIS CA C 13 54.600 0.30 . 1 . . . A 112 HIS CA . 25859 1 113 . 1 1 13 13 HIS CB C 13 31.500 0.30 . 1 . . . A 112 HIS CB . 25859 1 114 . 1 1 13 13 HIS CD2 C 13 114.300 0.30 . 1 . . . A 112 HIS CD2 . 25859 1 115 . 1 1 13 13 HIS CE1 C 13 136.300 0.30 . 1 . . . A 112 HIS CE1 . 25859 1 116 . 1 1 13 13 HIS N N 15 114.390 0.40 . 1 . . . A 112 HIS N . 25859 1 117 . 1 1 14 14 TYR H H 1 7.000 0.04 . 1 . . . A 113 TYR H . 25859 1 118 . 1 1 14 14 TYR HA H 1 4.540 0.04 . 1 . . . A 113 TYR HA . 25859 1 119 . 1 1 14 14 TYR HB2 H 1 2.740 0.04 . 2 . . . A 113 TYR HB2 . 25859 1 120 . 1 1 14 14 TYR HB3 H 1 2.860 0.04 . 2 . . . A 113 TYR HB3 . 25859 1 121 . 1 1 14 14 TYR HD2 H 1 7.170 0.04 . 1 . . . A 113 TYR HD2 . 25859 1 122 . 1 1 14 14 TYR HE2 H 1 6.690 0.04 . 1 . . . A 113 TYR HE2 . 25859 1 123 . 1 1 14 14 TYR C C 13 173.900 0.30 . 1 . . . A 113 TYR C . 25859 1 124 . 1 1 14 14 TYR CA C 13 56.850 0.30 . 1 . . . A 113 TYR CA . 25859 1 125 . 1 1 14 14 TYR CB C 13 38.640 0.30 . 1 . . . A 113 TYR CB . 25859 1 126 . 1 1 14 14 TYR CD2 C 13 131.100 0.30 . 1 . . . A 113 TYR CD2 . 25859 1 127 . 1 1 14 14 TYR CE2 C 13 116.100 0.30 . 1 . . . A 113 TYR CE2 . 25859 1 128 . 1 1 14 14 TYR N N 15 120.160 0.40 . 1 . . . A 113 TYR N . 25859 1 129 . 1 1 15 15 ILE H H 1 8.320 0.04 . 1 . . . A 114 ILE H . 25859 1 130 . 1 1 15 15 ILE HA H 1 4.180 0.04 . 1 . . . A 114 ILE HA . 25859 1 131 . 1 1 15 15 ILE HB H 1 2.220 0.04 . 1 . . . A 114 ILE HB . 25859 1 132 . 1 1 15 15 ILE HG12 H 1 1.100 0.04 . 2 . . . A 114 ILE HG12 . 25859 1 133 . 1 1 15 15 ILE HG13 H 1 1.370 0.04 . 2 . . . A 114 ILE HG13 . 25859 1 134 . 1 1 15 15 ILE HG21 H 1 0.750 0.04 . 1 . . . A 114 ILE HG21 . 25859 1 135 . 1 1 15 15 ILE HG22 H 1 0.750 0.04 . 1 . . . A 114 ILE HG22 . 25859 1 136 . 1 1 15 15 ILE HG23 H 1 0.750 0.04 . 1 . . . A 114 ILE HG23 . 25859 1 137 . 1 1 15 15 ILE HD11 H 1 0.420 0.04 . 1 . . . A 114 ILE HD11 . 25859 1 138 . 1 1 15 15 ILE HD12 H 1 0.420 0.04 . 1 . . . A 114 ILE HD12 . 25859 1 139 . 1 1 15 15 ILE HD13 H 1 0.420 0.04 . 1 . . . A 114 ILE HD13 . 25859 1 140 . 1 1 15 15 ILE C C 13 175.400 0.30 . 1 . . . A 114 ILE C . 25859 1 141 . 1 1 15 15 ILE CA C 13 59.030 0.30 . 1 . . . A 114 ILE CA . 25859 1 142 . 1 1 15 15 ILE CB C 13 40.830 0.30 . 1 . . . A 114 ILE CB . 25859 1 143 . 1 1 15 15 ILE CG1 C 13 27.900 0.30 . 1 . . . A 114 ILE CG1 . 25859 1 144 . 1 1 15 15 ILE CG2 C 13 17.000 0.30 . 1 . . . A 114 ILE CG2 . 25859 1 145 . 1 1 15 15 ILE N N 15 128.600 0.40 . 1 . . . A 114 ILE N . 25859 1 146 . 1 1 16 16 THR H H 1 9.270 0.04 . 1 . . . A 115 THR H . 25859 1 147 . 1 1 16 16 THR HA H 1 5.320 0.04 . 1 . . . A 115 THR HA . 25859 1 148 . 1 1 16 16 THR HB H 1 4.110 0.04 . 1 . . . A 115 THR HB . 25859 1 149 . 1 1 16 16 THR HG21 H 1 1.100 0.04 . 1 . . . A 115 THR HG21 . 25859 1 150 . 1 1 16 16 THR HG22 H 1 1.100 0.04 . 1 . . . A 115 THR HG22 . 25859 1 151 . 1 1 16 16 THR HG23 H 1 1.100 0.04 . 1 . . . A 115 THR HG23 . 25859 1 152 . 1 1 16 16 THR C C 13 174.600 0.30 . 1 . . . A 115 THR C . 25859 1 153 . 1 1 16 16 THR CA C 13 58.900 0.30 . 1 . . . A 115 THR CA . 25859 1 154 . 1 1 16 16 THR CB C 13 72.400 0.30 . 1 . . . A 115 THR CB . 25859 1 155 . 1 1 16 16 THR CG2 C 13 22.100 0.30 . 1 . . . A 115 THR CG2 . 25859 1 156 . 1 1 16 16 THR N N 15 117.430 0.40 . 1 . . . A 115 THR N . 25859 1 157 . 1 1 17 17 TYR H H 1 8.660 0.04 . 1 . . . A 116 TYR H . 25859 1 158 . 1 1 17 17 TYR HA H 1 5.860 0.04 . 1 . . . A 116 TYR HA . 25859 1 159 . 1 1 17 17 TYR HB2 H 1 2.330 0.04 . 2 . . . A 116 TYR HB2 . 25859 1 160 . 1 1 17 17 TYR HB3 H 1 2.960 0.04 . 2 . . . A 116 TYR HB3 . 25859 1 161 . 1 1 17 17 TYR HD2 H 1 6.890 0.04 . 1 . . . A 116 TYR HD2 . 25859 1 162 . 1 1 17 17 TYR HE2 H 1 6.850 0.04 . 1 . . . A 116 TYR HE2 . 25859 1 163 . 1 1 17 17 TYR C C 13 171.900 0.30 . 1 . . . A 116 TYR C . 25859 1 164 . 1 1 17 17 TYR CA C 13 55.190 0.30 . 1 . . . A 116 TYR CA . 25859 1 165 . 1 1 17 17 TYR CB C 13 43.640 0.30 . 1 . . . A 116 TYR CB . 25859 1 166 . 1 1 17 17 TYR CD2 C 13 129.600 0.30 . 1 . . . A 116 TYR CD2 . 25859 1 167 . 1 1 17 17 TYR CE2 C 13 116.200 0.30 . 1 . . . A 116 TYR CE2 . 25859 1 168 . 1 1 17 17 TYR N N 15 117.440 0.40 . 1 . . . A 116 TYR N . 25859 1 169 . 1 1 18 18 ARG H H 1 8.360 0.04 . 1 . . . A 117 ARG H . 25859 1 170 . 1 1 18 18 ARG HA H 1 4.700 0.04 . 1 . . . A 117 ARG HA . 25859 1 171 . 1 1 18 18 ARG HB3 H 1 1.770 0.04 . 2 . . . A 117 ARG HB3 . 25859 1 172 . 1 1 18 18 ARG HG2 H 1 1.530 0.04 . 2 . . . A 117 ARG HG2 . 25859 1 173 . 1 1 18 18 ARG HD3 H 1 3.030 0.04 . 2 . . . A 117 ARG HD3 . 25859 1 174 . 1 1 18 18 ARG C C 13 174.200 0.30 . 1 . . . A 117 ARG C . 25859 1 175 . 1 1 18 18 ARG CA C 13 54.740 0.30 . 1 . . . A 117 ARG CA . 25859 1 176 . 1 1 18 18 ARG CB C 13 35.790 0.30 . 1 . . . A 117 ARG CB . 25859 1 177 . 1 1 18 18 ARG CG C 13 27.000 0.30 . 1 . . . A 117 ARG CG . 25859 1 178 . 1 1 18 18 ARG CD C 13 43.900 0.30 . 1 . . . A 117 ARG CD . 25859 1 179 . 1 1 18 18 ARG N N 15 119.030 0.40 . 1 . . . A 117 ARG N . 25859 1 180 . 1 1 19 19 ILE H H 1 9.180 0.04 . 1 . . . A 118 ILE H . 25859 1 181 . 1 1 19 19 ILE HA H 1 4.340 0.04 . 1 . . . A 118 ILE HA . 25859 1 182 . 1 1 19 19 ILE HB H 1 2.170 0.04 . 1 . . . A 118 ILE HB . 25859 1 183 . 1 1 19 19 ILE HG12 H 1 1.570 0.04 . 2 . . . A 118 ILE HG12 . 25859 1 184 . 1 1 19 19 ILE HG13 H 1 1.760 0.04 . 2 . . . A 118 ILE HG13 . 25859 1 185 . 1 1 19 19 ILE HG21 H 1 0.990 0.04 . 1 . . . A 118 ILE HG21 . 25859 1 186 . 1 1 19 19 ILE HG22 H 1 0.990 0.04 . 1 . . . A 118 ILE HG22 . 25859 1 187 . 1 1 19 19 ILE HG23 H 1 0.990 0.04 . 1 . . . A 118 ILE HG23 . 25859 1 188 . 1 1 19 19 ILE HD11 H 1 0.870 0.04 . 1 . . . A 118 ILE HD11 . 25859 1 189 . 1 1 19 19 ILE HD12 H 1 0.870 0.04 . 1 . . . A 118 ILE HD12 . 25859 1 190 . 1 1 19 19 ILE HD13 H 1 0.870 0.04 . 1 . . . A 118 ILE HD13 . 25859 1 191 . 1 1 19 19 ILE C C 13 175.200 0.30 . 1 . . . A 118 ILE C . 25859 1 192 . 1 1 19 19 ILE CA C 13 61.550 0.30 . 1 . . . A 118 ILE CA . 25859 1 193 . 1 1 19 19 ILE CB C 13 37.120 0.30 . 1 . . . A 118 ILE CB . 25859 1 194 . 1 1 19 19 ILE CG1 C 13 28.000 0.30 . 1 . . . A 118 ILE CG1 . 25859 1 195 . 1 1 19 19 ILE CG2 C 13 16.900 0.30 . 1 . . . A 118 ILE CG2 . 25859 1 196 . 1 1 19 19 ILE N N 15 127.200 0.40 . 1 . . . A 118 ILE N . 25859 1 197 . 1 1 20 20 ASN H H 1 9.690 0.04 . 1 . . . A 119 ASN H . 25859 1 198 . 1 1 20 20 ASN HA H 1 4.340 0.04 . 1 . . . A 119 ASN HA . 25859 1 199 . 1 1 20 20 ASN HB2 H 1 2.530 0.04 . 2 . . . A 119 ASN HB2 . 25859 1 200 . 1 1 20 20 ASN HB3 H 1 3.090 0.04 . 2 . . . A 119 ASN HB3 . 25859 1 201 . 1 1 20 20 ASN HD21 H 1 7.600 0.04 . 2 . . . A 119 ASN HD21 . 25859 1 202 . 1 1 20 20 ASN HD22 H 1 6.990 0.04 . 2 . . . A 119 ASN HD22 . 25859 1 203 . 1 1 20 20 ASN C C 13 173.900 0.30 . 1 . . . A 119 ASN C . 25859 1 204 . 1 1 20 20 ASN CA C 13 56.530 0.30 . 1 . . . A 119 ASN CA . 25859 1 205 . 1 1 20 20 ASN CB C 13 41.990 0.30 . 1 . . . A 119 ASN CB . 25859 1 206 . 1 1 20 20 ASN N N 15 128.510 0.40 . 1 . . . A 119 ASN N . 25859 1 207 . 1 1 20 20 ASN ND2 N 15 111.400 0.40 . 1 . . . A 119 ASN ND2 . 25859 1 208 . 1 1 21 21 ASN H H 1 7.820 0.04 . 1 . . . A 120 ASN H . 25859 1 209 . 1 1 21 21 ASN HA H 1 4.670 0.04 . 1 . . . A 120 ASN HA . 25859 1 210 . 1 1 21 21 ASN HB2 H 1 3.080 0.04 . 2 . . . A 120 ASN HB2 . 25859 1 211 . 1 1 21 21 ASN HB3 H 1 2.940 0.04 . 2 . . . A 120 ASN HB3 . 25859 1 212 . 1 1 21 21 ASN HD21 H 1 7.540 0.04 . 2 . . . A 120 ASN HD21 . 25859 1 213 . 1 1 21 21 ASN HD22 H 1 7.050 0.04 . 2 . . . A 120 ASN HD22 . 25859 1 214 . 1 1 21 21 ASN C C 13 169.800 0.30 . 1 . . . A 120 ASN C . 25859 1 215 . 1 1 21 21 ASN CA C 13 52.080 0.30 . 1 . . . A 120 ASN CA . 25859 1 216 . 1 1 21 21 ASN CB C 13 39.030 0.30 . 1 . . . A 120 ASN CB . 25859 1 217 . 1 1 21 21 ASN N N 15 113.290 0.40 . 1 . . . A 120 ASN N . 25859 1 218 . 1 1 21 21 ASN ND2 N 15 114.200 0.40 . 1 . . . A 120 ASN ND2 . 25859 1 219 . 1 1 22 22 TYR H H 1 8.580 0.04 . 1 . . . A 121 TYR H . 25859 1 220 . 1 1 22 22 TYR HA H 1 4.110 0.04 . 1 . . . A 121 TYR HA . 25859 1 221 . 1 1 22 22 TYR HB2 H 1 2.600 0.04 . 2 . . . A 121 TYR HB2 . 25859 1 222 . 1 1 22 22 TYR HB3 H 1 2.850 0.04 . 2 . . . A 121 TYR HB3 . 25859 1 223 . 1 1 22 22 TYR HD2 H 1 6.950 0.04 . 1 . . . A 121 TYR HD2 . 25859 1 224 . 1 1 22 22 TYR HE2 H 1 6.850 0.04 . 1 . . . A 121 TYR HE2 . 25859 1 225 . 1 1 22 22 TYR C C 13 176.300 0.30 . 1 . . . A 121 TYR C . 25859 1 226 . 1 1 22 22 TYR CA C 13 58.650 0.30 . 1 . . . A 121 TYR CA . 25859 1 227 . 1 1 22 22 TYR CB C 13 41.170 0.30 . 1 . . . A 121 TYR CB . 25859 1 228 . 1 1 22 22 TYR CD2 C 13 131.200 0.30 . 1 . . . A 121 TYR CD2 . 25859 1 229 . 1 1 22 22 TYR CE2 C 13 115.900 0.30 . 1 . . . A 121 TYR CE2 . 25859 1 230 . 1 1 22 22 TYR N N 15 114.590 0.40 . 1 . . . A 121 TYR N . 25859 1 231 . 1 1 24 24 PRO HA H 1 4.640 0.04 . 1 . . . A 123 PRO HA . 25859 1 232 . 1 1 24 24 PRO HB2 H 1 2.110 0.04 . 2 . . . A 123 PRO HB2 . 25859 1 233 . 1 1 24 24 PRO HB3 H 1 2.250 0.04 . 2 . . . A 123 PRO HB3 . 25859 1 234 . 1 1 24 24 PRO HG2 H 1 1.930 0.04 . 2 . . . A 123 PRO HG2 . 25859 1 235 . 1 1 24 24 PRO HG3 H 1 2.070 0.04 . 2 . . . A 123 PRO HG3 . 25859 1 236 . 1 1 24 24 PRO HD2 H 1 3.590 0.04 . 2 . . . A 123 PRO HD2 . 25859 1 237 . 1 1 24 24 PRO HD3 H 1 3.420 0.04 . 2 . . . A 123 PRO HD3 . 25859 1 238 . 1 1 24 24 PRO CA C 13 63.000 0.30 . 1 . . . A 123 PRO CA . 25859 1 239 . 1 1 24 24 PRO CB C 13 32.000 0.30 . 1 . . . A 123 PRO CB . 25859 1 240 . 1 1 24 24 PRO CG C 13 27.300 0.30 . 1 . . . A 123 PRO CG . 25859 1 241 . 1 1 24 24 PRO CD C 13 49.900 0.30 . 1 . . . A 123 PRO CD . 25859 1 242 . 1 1 25 25 ASP H H 1 8.830 0.04 . 1 . . . A 124 ASP H . 25859 1 243 . 1 1 25 25 ASP HA H 1 4.100 0.04 . 1 . . . A 124 ASP HA . 25859 1 244 . 1 1 25 25 ASP HB2 H 1 2.550 0.04 . 2 . . . A 124 ASP HB2 . 25859 1 245 . 1 1 25 25 ASP HB3 H 1 2.760 0.04 . 2 . . . A 124 ASP HB3 . 25859 1 246 . 1 1 25 25 ASP C C 13 175.900 0.30 . 1 . . . A 124 ASP C . 25859 1 247 . 1 1 25 25 ASP CA C 13 56.180 0.30 . 1 . . . A 124 ASP CA . 25859 1 248 . 1 1 25 25 ASP CB C 13 41.800 0.30 . 1 . . . A 124 ASP CB . 25859 1 249 . 1 1 25 25 ASP N N 15 121.860 0.40 . 1 . . . A 124 ASP N . 25859 1 250 . 1 1 26 26 MET H H 1 6.970 0.04 . 1 . . . A 125 MET H . 25859 1 251 . 1 1 26 26 MET HA H 1 4.620 0.04 . 1 . . . A 125 MET HA . 25859 1 252 . 1 1 26 26 MET HB2 H 1 1.770 0.04 . 2 . . . A 125 MET HB2 . 25859 1 253 . 1 1 26 26 MET HB3 H 1 2.090 0.04 . 2 . . . A 125 MET HB3 . 25859 1 254 . 1 1 26 26 MET HG2 H 1 2.270 0.04 . 2 . . . A 125 MET HG2 . 25859 1 255 . 1 1 26 26 MET HE1 H 1 1.400 0.04 . 1 . . . A 125 MET HE1 . 25859 1 256 . 1 1 26 26 MET HE2 H 1 1.400 0.04 . 1 . . . A 125 MET HE2 . 25859 1 257 . 1 1 26 26 MET HE3 H 1 1.400 0.04 . 1 . . . A 125 MET HE3 . 25859 1 258 . 1 1 26 26 MET C C 13 174.900 0.30 . 1 . . . A 125 MET C . 25859 1 259 . 1 1 26 26 MET CA C 13 53.650 0.30 . 1 . . . A 125 MET CA . 25859 1 260 . 1 1 26 26 MET CB C 13 39.350 0.30 . 1 . . . A 125 MET CB . 25859 1 261 . 1 1 26 26 MET CG C 13 31.900 0.30 . 1 . . . A 125 MET CG . 25859 1 262 . 1 1 26 26 MET CE C 13 20.800 0.30 . 1 . . . A 125 MET CE . 25859 1 263 . 1 1 26 26 MET N N 15 113.330 0.40 . 1 . . . A 125 MET N . 25859 1 264 . 1 1 27 27 ASN H H 1 8.930 0.04 . 1 . . . A 126 ASN H . 25859 1 265 . 1 1 27 27 ASN HA H 1 4.610 0.04 . 1 . . . A 126 ASN HA . 25859 1 266 . 1 1 27 27 ASN HB2 H 1 2.860 0.04 . 2 . . . A 126 ASN HB2 . 25859 1 267 . 1 1 27 27 ASN HB3 H 1 2.620 0.04 . 2 . . . A 126 ASN HB3 . 25859 1 268 . 1 1 27 27 ASN HD21 H 1 7.470 0.04 . 2 . . . A 126 ASN HD21 . 25859 1 269 . 1 1 27 27 ASN HD22 H 1 6.840 0.04 . 2 . . . A 126 ASN HD22 . 25859 1 270 . 1 1 27 27 ASN C C 13 177.300 0.30 . 1 . . . A 126 ASN C . 25859 1 271 . 1 1 27 27 ASN CA C 13 53.500 0.30 . 1 . . . A 126 ASN CA . 25859 1 272 . 1 1 27 27 ASN CB C 13 38.650 0.30 . 1 . . . A 126 ASN CB . 25859 1 273 . 1 1 27 27 ASN N N 15 118.800 0.40 . 1 . . . A 126 ASN N . 25859 1 274 . 1 1 27 27 ASN ND2 N 15 112.100 0.40 . 1 . . . A 126 ASN ND2 . 25859 1 275 . 1 1 28 28 ARG H H 1 8.980 0.04 . 1 . . . A 127 ARG H . 25859 1 276 . 1 1 28 28 ARG HA H 1 4.760 0.04 . 1 . . . A 127 ARG HA . 25859 1 277 . 1 1 28 28 ARG HB2 H 1 1.360 0.04 . 2 . . . A 127 ARG HB2 . 25859 1 278 . 1 1 28 28 ARG HB3 H 1 1.460 0.04 . 2 . . . A 127 ARG HB3 . 25859 1 279 . 1 1 28 28 ARG HG3 H 1 1.000 0.04 . 2 . . . A 127 ARG HG3 . 25859 1 280 . 1 1 28 28 ARG HD3 H 1 3.760 0.04 . 2 . . . A 127 ARG HD3 . 25859 1 281 . 1 1 28 28 ARG C C 13 178.000 0.30 . 1 . . . A 127 ARG C . 25859 1 282 . 1 1 28 28 ARG CA C 13 60.530 0.30 . 1 . . . A 127 ARG CA . 25859 1 283 . 1 1 28 28 ARG CB C 13 30.250 0.30 . 1 . . . A 127 ARG CB . 25859 1 284 . 1 1 28 28 ARG CG C 13 26.600 0.30 . 1 . . . A 127 ARG CG . 25859 1 285 . 1 1 28 28 ARG CD C 13 43.600 0.30 . 1 . . . A 127 ARG CD . 25859 1 286 . 1 1 28 28 ARG N N 15 126.020 0.40 . 1 . . . A 127 ARG N . 25859 1 287 . 1 1 29 29 GLU H H 1 9.090 0.04 . 1 . . . A 128 GLU H . 25859 1 288 . 1 1 29 29 GLU HA H 1 4.130 0.04 . 1 . . . A 128 GLU HA . 25859 1 289 . 1 1 29 29 GLU HB2 H 1 1.940 0.04 . 2 . . . A 128 GLU HB2 . 25859 1 290 . 1 1 29 29 GLU HB3 H 1 2.000 0.04 . 2 . . . A 128 GLU HB3 . 25859 1 291 . 1 1 29 29 GLU HG3 H 1 2.330 0.04 . 2 . . . A 128 GLU HG3 . 25859 1 292 . 1 1 29 29 GLU C C 13 179.400 0.30 . 1 . . . A 128 GLU C . 25859 1 293 . 1 1 29 29 GLU CA C 13 59.700 0.30 . 1 . . . A 128 GLU CA . 25859 1 294 . 1 1 29 29 GLU CB C 13 28.800 0.30 . 1 . . . A 128 GLU CB . 25859 1 295 . 1 1 29 29 GLU CG C 13 36.300 0.30 . 1 . . . A 128 GLU CG . 25859 1 296 . 1 1 29 29 GLU N N 15 116.400 0.40 . 1 . . . A 128 GLU N . 25859 1 297 . 1 1 30 30 ASP H H 1 7.500 0.04 . 1 . . . A 129 ASP H . 25859 1 298 . 1 1 30 30 ASP HA H 1 4.660 0.04 . 1 . . . A 129 ASP HA . 25859 1 299 . 1 1 30 30 ASP HB2 H 1 2.860 0.04 . 2 . . . A 129 ASP HB2 . 25859 1 300 . 1 1 30 30 ASP HB3 H 1 2.630 0.04 . 2 . . . A 129 ASP HB3 . 25859 1 301 . 1 1 30 30 ASP C C 13 179.200 0.30 . 1 . . . A 129 ASP C . 25859 1 302 . 1 1 30 30 ASP CA C 13 57.230 0.30 . 1 . . . A 129 ASP CA . 25859 1 303 . 1 1 30 30 ASP CB C 13 41.800 0.30 . 1 . . . A 129 ASP CB . 25859 1 304 . 1 1 30 30 ASP N N 15 119.790 0.40 . 1 . . . A 129 ASP N . 25859 1 305 . 1 1 31 31 VAL H H 1 7.790 0.04 . 1 . . . A 130 VAL H . 25859 1 306 . 1 1 31 31 VAL HA H 1 4.130 0.04 . 1 . . . A 130 VAL HA . 25859 1 307 . 1 1 31 31 VAL HB H 1 2.320 0.04 . 1 . . . A 130 VAL HB . 25859 1 308 . 1 1 31 31 VAL HG11 H 1 0.990 0.04 . 2 . . . A 130 VAL HG11 . 25859 1 309 . 1 1 31 31 VAL HG12 H 1 0.990 0.04 . 2 . . . A 130 VAL HG12 . 25859 1 310 . 1 1 31 31 VAL HG13 H 1 0.990 0.04 . 2 . . . A 130 VAL HG13 . 25859 1 311 . 1 1 31 31 VAL HG21 H 1 0.800 0.04 . 2 . . . A 130 VAL HG21 . 25859 1 312 . 1 1 31 31 VAL HG22 H 1 0.800 0.04 . 2 . . . A 130 VAL HG22 . 25859 1 313 . 1 1 31 31 VAL HG23 H 1 0.800 0.04 . 2 . . . A 130 VAL HG23 . 25859 1 314 . 1 1 31 31 VAL C C 13 177.400 0.30 . 1 . . . A 130 VAL C . 25859 1 315 . 1 1 31 31 VAL CA C 13 66.960 0.30 . 1 . . . A 130 VAL CA . 25859 1 316 . 1 1 31 31 VAL CB C 13 31.450 0.30 . 1 . . . A 130 VAL CB . 25859 1 317 . 1 1 31 31 VAL CG1 C 13 24.100 0.30 . 1 . . . A 130 VAL CG1 . 25859 1 318 . 1 1 31 31 VAL CG2 C 13 21.500 0.30 . 1 . . . A 130 VAL CG2 . 25859 1 319 . 1 1 31 31 VAL N N 15 123.990 0.40 . 1 . . . A 130 VAL N . 25859 1 320 . 1 1 32 32 ASP H H 1 8.420 0.04 . 1 . . . A 131 ASP H . 25859 1 321 . 1 1 32 32 ASP HA H 1 4.360 0.04 . 1 . . . A 131 ASP HA . 25859 1 322 . 1 1 32 32 ASP HB2 H 1 2.630 0.04 . 2 . . . A 131 ASP HB2 . 25859 1 323 . 1 1 32 32 ASP HB3 H 1 2.820 0.04 . 2 . . . A 131 ASP HB3 . 25859 1 324 . 1 1 32 32 ASP C C 13 179.700 0.30 . 1 . . . A 131 ASP C . 25859 1 325 . 1 1 32 32 ASP CA C 13 58.080 0.30 . 1 . . . A 131 ASP CA . 25859 1 326 . 1 1 32 32 ASP CB C 13 40.600 0.30 . 1 . . . A 131 ASP CB . 25859 1 327 . 1 1 32 32 ASP N N 15 118.590 0.40 . 1 . . . A 131 ASP N . 25859 1 328 . 1 1 33 33 TYR H H 1 8.230 0.04 . 1 . . . A 132 TYR H . 25859 1 329 . 1 1 33 33 TYR HA H 1 4.200 0.04 . 1 . . . A 132 TYR HA . 25859 1 330 . 1 1 33 33 TYR HB2 H 1 3.310 0.04 . 2 . . . A 132 TYR HB2 . 25859 1 331 . 1 1 33 33 TYR HB3 H 1 3.120 0.04 . 2 . . . A 132 TYR HB3 . 25859 1 332 . 1 1 33 33 TYR HD2 H 1 6.970 0.04 . 1 . . . A 132 TYR HD2 . 25859 1 333 . 1 1 33 33 TYR HE2 H 1 6.730 0.04 . 1 . . . A 132 TYR HE2 . 25859 1 334 . 1 1 33 33 TYR C C 13 176.300 0.30 . 1 . . . A 132 TYR C . 25859 1 335 . 1 1 33 33 TYR CA C 13 61.720 0.30 . 1 . . . A 132 TYR CA . 25859 1 336 . 1 1 33 33 TYR CB C 13 38.860 0.30 . 1 . . . A 132 TYR CB . 25859 1 337 . 1 1 33 33 TYR CD2 C 13 131.100 0.30 . 1 . . . A 132 TYR CD2 . 25859 1 338 . 1 1 33 33 TYR CE2 C 13 116.120 0.30 . 1 . . . A 132 TYR CE2 . 25859 1 339 . 1 1 33 33 TYR N N 15 119.720 0.40 . 1 . . . A 132 TYR N . 25859 1 340 . 1 1 34 34 ALA H H 1 8.080 0.04 . 1 . . . A 133 ALA H . 25859 1 341 . 1 1 34 34 ALA HA H 1 3.920 0.04 . 1 . . . A 133 ALA HA . 25859 1 342 . 1 1 34 34 ALA HB1 H 1 1.500 0.04 . 1 . . . A 133 ALA HB1 . 25859 1 343 . 1 1 34 34 ALA HB2 H 1 1.500 0.04 . 1 . . . A 133 ALA HB2 . 25859 1 344 . 1 1 34 34 ALA HB3 H 1 1.500 0.04 . 1 . . . A 133 ALA HB3 . 25859 1 345 . 1 1 34 34 ALA C C 13 179.400 0.30 . 1 . . . A 133 ALA C . 25859 1 346 . 1 1 34 34 ALA CA C 13 55.720 0.30 . 1 . . . A 133 ALA CA . 25859 1 347 . 1 1 34 34 ALA CB C 13 18.800 0.30 . 1 . . . A 133 ALA CB . 25859 1 348 . 1 1 34 34 ALA N N 15 121.470 0.40 . 1 . . . A 133 ALA N . 25859 1 349 . 1 1 35 35 ILE H H 1 8.090 0.04 . 1 . . . A 134 ILE H . 25859 1 350 . 1 1 35 35 ILE HA H 1 3.530 0.04 . 1 . . . A 134 ILE HA . 25859 1 351 . 1 1 35 35 ILE HB H 1 2.170 0.04 . 1 . . . A 134 ILE HB . 25859 1 352 . 1 1 35 35 ILE HG12 H 1 1.500 0.04 . 2 . . . A 134 ILE HG12 . 25859 1 353 . 1 1 35 35 ILE HG13 H 1 1.640 0.04 . 2 . . . A 134 ILE HG13 . 25859 1 354 . 1 1 35 35 ILE HG21 H 1 0.780 0.04 . 1 . . . A 134 ILE HG21 . 25859 1 355 . 1 1 35 35 ILE HG22 H 1 0.780 0.04 . 1 . . . A 134 ILE HG22 . 25859 1 356 . 1 1 35 35 ILE HG23 H 1 0.780 0.04 . 1 . . . A 134 ILE HG23 . 25859 1 357 . 1 1 35 35 ILE HD11 H 1 0.320 0.04 . 1 . . . A 134 ILE HD11 . 25859 1 358 . 1 1 35 35 ILE HD12 H 1 0.320 0.04 . 1 . . . A 134 ILE HD12 . 25859 1 359 . 1 1 35 35 ILE HD13 H 1 0.320 0.04 . 1 . . . A 134 ILE HD13 . 25859 1 360 . 1 1 35 35 ILE C C 13 177.300 0.30 . 1 . . . A 134 ILE C . 25859 1 361 . 1 1 35 35 ILE CA C 13 62.220 0.30 . 1 . . . A 134 ILE CA . 25859 1 362 . 1 1 35 35 ILE CB C 13 35.740 0.30 . 1 . . . A 134 ILE CB . 25859 1 363 . 1 1 35 35 ILE CG1 C 13 27.600 0.30 . 1 . . . A 134 ILE CG1 . 25859 1 364 . 1 1 35 35 ILE CG2 C 13 19.100 0.30 . 1 . . . A 134 ILE CG2 . 25859 1 365 . 1 1 35 35 ILE N N 15 114.080 0.40 . 1 . . . A 134 ILE N . 25859 1 366 . 1 1 36 36 ARG H H 1 8.290 0.04 . 1 . . . A 135 ARG H . 25859 1 367 . 1 1 36 36 ARG HA H 1 4.130 0.04 . 1 . . . A 135 ARG HA . 25859 1 368 . 1 1 36 36 ARG HB2 H 1 2.060 0.04 . 2 . . . A 135 ARG HB2 . 25859 1 369 . 1 1 36 36 ARG HB3 H 1 1.780 0.04 . 2 . . . A 135 ARG HB3 . 25859 1 370 . 1 1 36 36 ARG HG2 H 1 1.520 0.04 . 2 . . . A 135 ARG HG2 . 25859 1 371 . 1 1 36 36 ARG HG3 H 1 1.620 0.04 . 2 . . . A 135 ARG HG3 . 25859 1 372 . 1 1 36 36 ARG HD3 H 1 3.330 0.04 . 2 . . . A 135 ARG HD3 . 25859 1 373 . 1 1 36 36 ARG C C 13 179.800 0.30 . 1 . . . A 135 ARG C . 25859 1 374 . 1 1 36 36 ARG CA C 13 60.310 0.30 . 1 . . . A 135 ARG CA . 25859 1 375 . 1 1 36 36 ARG CB C 13 30.540 0.30 . 1 . . . A 135 ARG CB . 25859 1 376 . 1 1 36 36 ARG CG C 13 27.200 0.30 . 1 . . . A 135 ARG CG . 25859 1 377 . 1 1 36 36 ARG CD C 13 44.100 0.30 . 1 . . . A 135 ARG CD . 25859 1 378 . 1 1 36 36 ARG N N 15 119.830 0.40 . 1 . . . A 135 ARG N . 25859 1 379 . 1 1 37 37 LYS H H 1 8.550 0.04 . 1 . . . A 136 LYS H . 25859 1 380 . 1 1 37 37 LYS HA H 1 3.910 0.04 . 1 . . . A 136 LYS HA . 25859 1 381 . 1 1 37 37 LYS HB2 H 1 2.510 0.04 . 2 . . . A 136 LYS HB2 . 25859 1 382 . 1 1 37 37 LYS HB3 H 1 2.270 0.04 . 2 . . . A 136 LYS HB3 . 25859 1 383 . 1 1 37 37 LYS HG2 H 1 1.290 0.04 . 2 . . . A 136 LYS HG2 . 25859 1 384 . 1 1 37 37 LYS HD3 H 1 1.540 0.04 . 2 . . . A 136 LYS HD3 . 25859 1 385 . 1 1 37 37 LYS HE2 H 1 2.920 0.04 . 2 . . . A 136 LYS HE2 . 25859 1 386 . 1 1 37 37 LYS C C 13 178.700 0.30 . 1 . . . A 136 LYS C . 25859 1 387 . 1 1 37 37 LYS CA C 13 58.400 0.30 . 1 . . . A 136 LYS CA . 25859 1 388 . 1 1 37 37 LYS CB C 13 31.560 0.30 . 1 . . . A 136 LYS CB . 25859 1 389 . 1 1 37 37 LYS CG C 13 24.700 0.30 . 1 . . . A 136 LYS CG . 25859 1 390 . 1 1 37 37 LYS CD C 13 28.100 0.30 . 1 . . . A 136 LYS CD . 25859 1 391 . 1 1 37 37 LYS CE C 13 41.800 0.30 . 1 . . . A 136 LYS CE . 25859 1 392 . 1 1 37 37 LYS N N 15 119.290 0.40 . 1 . . . A 136 LYS N . 25859 1 393 . 1 1 38 38 ALA H H 1 8.000 0.04 . 1 . . . A 137 ALA H . 25859 1 394 . 1 1 38 38 ALA HA H 1 3.920 0.04 . 1 . . . A 137 ALA HA . 25859 1 395 . 1 1 38 38 ALA HB1 H 1 1.100 0.04 . 1 . . . A 137 ALA HB1 . 25859 1 396 . 1 1 38 38 ALA HB2 H 1 1.100 0.04 . 1 . . . A 137 ALA HB2 . 25859 1 397 . 1 1 38 38 ALA HB3 H 1 1.100 0.04 . 1 . . . A 137 ALA HB3 . 25859 1 398 . 1 1 38 38 ALA C C 13 178.600 0.30 . 1 . . . A 137 ALA C . 25859 1 399 . 1 1 38 38 ALA CA C 13 55.650 0.30 . 1 . . . A 137 ALA CA . 25859 1 400 . 1 1 38 38 ALA CB C 13 19.000 0.30 . 1 . . . A 137 ALA CB . 25859 1 401 . 1 1 38 38 ALA N N 15 123.200 0.40 . 1 . . . A 137 ALA N . 25859 1 402 . 1 1 39 39 PHE H H 1 7.720 0.04 . 1 . . . A 138 PHE H . 25859 1 403 . 1 1 39 39 PHE HA H 1 3.750 0.04 . 1 . . . A 138 PHE HA . 25859 1 404 . 1 1 39 39 PHE HB2 H 1 2.270 0.04 . 2 . . . A 138 PHE HB2 . 25859 1 405 . 1 1 39 39 PHE HB3 H 1 2.580 0.04 . 2 . . . A 138 PHE HB3 . 25859 1 406 . 1 1 39 39 PHE HD2 H 1 5.600 0.04 . 1 . . . A 138 PHE HD2 . 25859 1 407 . 1 1 39 39 PHE HE2 H 1 5.900 0.04 . 1 . . . A 138 PHE HE2 . 25859 1 408 . 1 1 39 39 PHE HZ H 1 6.400 0.04 . 1 . . . A 138 PHE HZ . 25859 1 409 . 1 1 39 39 PHE C C 13 178.700 0.30 . 1 . . . A 138 PHE C . 25859 1 410 . 1 1 39 39 PHE CA C 13 63.890 0.30 . 1 . . . A 138 PHE CA . 25859 1 411 . 1 1 39 39 PHE CB C 13 38.670 0.30 . 1 . . . A 138 PHE CB . 25859 1 412 . 1 1 39 39 PHE CD2 C 13 129.200 0.30 . 1 . . . A 138 PHE CD2 . 25859 1 413 . 1 1 39 39 PHE CE2 C 13 127.800 0.30 . 1 . . . A 138 PHE CE2 . 25859 1 414 . 1 1 39 39 PHE CZ C 13 124.000 0.30 . 1 . . . A 138 PHE CZ . 25859 1 415 . 1 1 39 39 PHE N N 15 113.900 0.40 . 1 . . . A 138 PHE N . 25859 1 416 . 1 1 40 40 GLN H H 1 8.110 0.04 . 1 . . . A 139 GLN H . 25859 1 417 . 1 1 40 40 GLN HA H 1 4.190 0.04 . 1 . . . A 139 GLN HA . 25859 1 418 . 1 1 40 40 GLN HB2 H 1 2.280 0.04 . 2 . . . A 139 GLN HB2 . 25859 1 419 . 1 1 40 40 GLN HB3 H 1 2.070 0.04 . 2 . . . A 139 GLN HB3 . 25859 1 420 . 1 1 40 40 GLN HG2 H 1 2.580 0.04 . 2 . . . A 139 GLN HG2 . 25859 1 421 . 1 1 40 40 GLN HG3 H 1 2.460 0.04 . 2 . . . A 139 GLN HG3 . 25859 1 422 . 1 1 40 40 GLN HE21 H 1 6.920 0.04 . 2 . . . A 139 GLN HE21 . 25859 1 423 . 1 1 40 40 GLN HE22 H 1 7.620 0.04 . 2 . . . A 139 GLN HE22 . 25859 1 424 . 1 1 40 40 GLN C C 13 177.900 0.30 . 1 . . . A 139 GLN C . 25859 1 425 . 1 1 40 40 GLN CA C 13 58.540 0.30 . 1 . . . A 139 GLN CA . 25859 1 426 . 1 1 40 40 GLN CB C 13 28.820 0.30 . 1 . . . A 139 GLN CB . 25859 1 427 . 1 1 40 40 GLN CG C 13 34.100 0.30 . 1 . . . A 139 GLN CG . 25859 1 428 . 1 1 40 40 GLN N N 15 119.100 0.40 . 1 . . . A 139 GLN N . 25859 1 429 . 1 1 40 40 GLN NE2 N 15 112.600 0.40 . 1 . . . A 139 GLN NE2 . 25859 1 430 . 1 1 41 41 VAL H H 1 7.700 0.04 . 1 . . . A 140 VAL H . 25859 1 431 . 1 1 41 41 VAL HA H 1 3.630 0.04 . 1 . . . A 140 VAL HA . 25859 1 432 . 1 1 41 41 VAL HB H 1 2.060 0.04 . 1 . . . A 140 VAL HB . 25859 1 433 . 1 1 41 41 VAL HG11 H 1 1.120 0.04 . 2 . . . A 140 VAL HG11 . 25859 1 434 . 1 1 41 41 VAL HG12 H 1 1.120 0.04 . 2 . . . A 140 VAL HG12 . 25859 1 435 . 1 1 41 41 VAL HG13 H 1 1.120 0.04 . 2 . . . A 140 VAL HG13 . 25859 1 436 . 1 1 41 41 VAL HG21 H 1 0.470 0.04 . 2 . . . A 140 VAL HG21 . 25859 1 437 . 1 1 41 41 VAL HG22 H 1 0.470 0.04 . 2 . . . A 140 VAL HG22 . 25859 1 438 . 1 1 41 41 VAL HG23 H 1 0.470 0.04 . 2 . . . A 140 VAL HG23 . 25859 1 439 . 1 1 41 41 VAL C C 13 178.200 0.30 . 1 . . . A 140 VAL C . 25859 1 440 . 1 1 41 41 VAL CA C 13 66.070 0.30 . 1 . . . A 140 VAL CA . 25859 1 441 . 1 1 41 41 VAL CB C 13 31.300 0.30 . 1 . . . A 140 VAL CB . 25859 1 442 . 1 1 41 41 VAL CG1 C 13 21.700 0.30 . 1 . . . A 140 VAL CG1 . 25859 1 443 . 1 1 41 41 VAL CG2 C 13 23.100 0.30 . 1 . . . A 140 VAL CG2 . 25859 1 444 . 1 1 41 41 VAL N N 15 117.170 0.40 . 1 . . . A 140 VAL N . 25859 1 445 . 1 1 42 42 TRP H H 1 6.730 0.04 . 1 . . . A 141 TRP H . 25859 1 446 . 1 1 42 42 TRP HA H 1 4.370 0.04 . 1 . . . A 141 TRP HA . 25859 1 447 . 1 1 42 42 TRP HB2 H 1 3.070 0.04 . 2 . . . A 141 TRP HB2 . 25859 1 448 . 1 1 42 42 TRP HB3 H 1 3.190 0.04 . 2 . . . A 141 TRP HB3 . 25859 1 449 . 1 1 42 42 TRP HD1 H 1 7.360 0.04 . 1 . . . A 141 TRP HD1 . 25859 1 450 . 1 1 42 42 TRP HE1 H 1 9.920 0.04 . 1 . . . A 141 TRP HE1 . 25859 1 451 . 1 1 42 42 TRP HE3 H 1 6.70 0.04 . 1 . . . A 141 TRP HE3 . 25859 1 452 . 1 1 42 42 TRP HZ2 H 1 6.950 0.04 . 1 . . . A 141 TRP HZ2 . 25859 1 453 . 1 1 42 42 TRP HZ3 H 1 6.870 0.04 . 1 . . . A 141 TRP HZ3 . 25859 1 454 . 1 1 42 42 TRP HH2 H 1 6.380 0.04 . 1 . . . A 141 TRP HH2 . 25859 1 455 . 1 1 42 42 TRP C C 13 180.700 0.30 . 1 . . . A 141 TRP C . 25859 1 456 . 1 1 42 42 TRP CA C 13 58.590 0.30 . 1 . . . A 141 TRP CA . 25859 1 457 . 1 1 42 42 TRP CB C 13 30.420 0.30 . 1 . . . A 141 TRP CB . 25859 1 458 . 1 1 42 42 TRP CD1 C 13 120.700 0.30 . 1 . . . A 141 TRP CD1 . 25859 1 459 . 1 1 42 42 TRP CE3 C 13 119.00 0.30 . 1 . . . A 141 TRP CE3 . 25859 1 460 . 1 1 42 42 TRP CZ2 C 13 114.200 0.30 . 1 . . . A 141 TRP CZ2 . 25859 1 461 . 1 1 42 42 TRP CZ3 C 13 126.00 0.30 . 1 . . . A 141 TRP CZ3 . 25859 1 462 . 1 1 42 42 TRP CH2 C 13 128.00 0.30 . 1 . . . A 141 TRP CH2 . 25859 1 463 . 1 1 42 42 TRP N N 15 116.910 0.40 . 1 . . . A 141 TRP N . 25859 1 464 . 1 1 42 42 TRP NE1 N 15 127.600 0.40 . 1 . . . A 141 TRP NE1 . 25859 1 465 . 1 1 43 43 SER H H 1 9.080 0.04 . 1 . . . A 142 SER H . 25859 1 466 . 1 1 43 43 SER HA H 1 4.370 0.04 . 1 . . . A 142 SER HA . 25859 1 467 . 1 1 43 43 SER HB2 H 1 4.190 0.04 . 2 . . . A 142 SER HB2 . 25859 1 468 . 1 1 43 43 SER C C 13 175.700 0.30 . 1 . . . A 142 SER C . 25859 1 469 . 1 1 43 43 SER CA C 13 61.490 0.30 . 1 . . . A 142 SER CA . 25859 1 470 . 1 1 43 43 SER CB C 13 63.720 0.30 . 1 . . . A 142 SER CB . 25859 1 471 . 1 1 43 43 SER N N 15 118.490 0.40 . 1 . . . A 142 SER N . 25859 1 472 . 1 1 44 44 ASN H H 1 7.970 0.04 . 1 . . . A 143 ASN H . 25859 1 473 . 1 1 44 44 ASN HA H 1 4.730 0.04 . 1 . . . A 143 ASN HA . 25859 1 474 . 1 1 44 44 ASN HB2 H 1 2.840 0.04 . 2 . . . A 143 ASN HB2 . 25859 1 475 . 1 1 44 44 ASN HB3 H 1 2.990 0.04 . 2 . . . A 143 ASN HB3 . 25859 1 476 . 1 1 44 44 ASN HD21 H 1 7.960 0.04 . 2 . . . A 143 ASN HD21 . 25859 1 477 . 1 1 44 44 ASN HD22 H 1 6.910 0.04 . 2 . . . A 143 ASN HD22 . 25859 1 478 . 1 1 44 44 ASN C C 13 176.700 0.30 . 1 . . . A 143 ASN C . 25859 1 479 . 1 1 44 44 ASN CA C 13 55.040 0.30 . 1 . . . A 143 ASN CA . 25859 1 480 . 1 1 44 44 ASN CB C 13 39.210 0.30 . 1 . . . A 143 ASN CB . 25859 1 481 . 1 1 44 44 ASN N N 15 115.220 0.40 . 1 . . . A 143 ASN N . 25859 1 482 . 1 1 44 44 ASN ND2 N 15 114.400 0.40 . 1 . . . A 143 ASN ND2 . 25859 1 483 . 1 1 45 45 VAL H H 1 7.170 0.04 . 1 . . . A 144 VAL H . 25859 1 484 . 1 1 45 45 VAL HA H 1 4.860 0.04 . 1 . . . A 144 VAL HA . 25859 1 485 . 1 1 45 45 VAL HB H 1 2.680 0.04 . 1 . . . A 144 VAL HB . 25859 1 486 . 1 1 45 45 VAL HG11 H 1 1.160 0.04 . 2 . . . A 144 VAL HG11 . 25859 1 487 . 1 1 45 45 VAL HG12 H 1 1.160 0.04 . 2 . . . A 144 VAL HG12 . 25859 1 488 . 1 1 45 45 VAL HG13 H 1 1.160 0.04 . 2 . . . A 144 VAL HG13 . 25859 1 489 . 1 1 45 45 VAL HG21 H 1 0.940 0.04 . 2 . . . A 144 VAL HG21 . 25859 1 490 . 1 1 45 45 VAL HG22 H 1 0.940 0.04 . 2 . . . A 144 VAL HG22 . 25859 1 491 . 1 1 45 45 VAL HG23 H 1 0.940 0.04 . 2 . . . A 144 VAL HG23 . 25859 1 492 . 1 1 45 45 VAL C C 13 174.600 0.30 . 1 . . . A 144 VAL C . 25859 1 493 . 1 1 45 45 VAL CA C 13 60.440 0.30 . 1 . . . A 144 VAL CA . 25859 1 494 . 1 1 45 45 VAL CB C 13 32.940 0.30 . 1 . . . A 144 VAL CB . 25859 1 495 . 1 1 45 45 VAL CG1 C 13 19.200 0.30 . 1 . . . A 144 VAL CG1 . 25859 1 496 . 1 1 45 45 VAL CG2 C 13 21.700 0.30 . 1 . . . A 144 VAL CG2 . 25859 1 497 . 1 1 45 45 VAL N N 15 106.340 0.40 . 1 . . . A 144 VAL N . 25859 1 498 . 1 1 46 46 THR H H 1 7.490 0.04 . 1 . . . A 145 THR H . 25859 1 499 . 1 1 46 46 THR HA H 1 4.370 0.04 . 1 . . . A 145 THR HA . 25859 1 500 . 1 1 46 46 THR HB H 1 4.010 0.04 . 1 . . . A 145 THR HB . 25859 1 501 . 1 1 46 46 THR HG21 H 1 1.450 0.04 . 1 . . . A 145 THR HG21 . 25859 1 502 . 1 1 46 46 THR HG22 H 1 1.450 0.04 . 1 . . . A 145 THR HG22 . 25859 1 503 . 1 1 46 46 THR HG23 H 1 1.450 0.04 . 1 . . . A 145 THR HG23 . 25859 1 504 . 1 1 46 46 THR C C 13 173.400 0.30 . 1 . . . A 145 THR C . 25859 1 505 . 1 1 46 46 THR CA C 13 59.760 0.30 . 1 . . . A 145 THR CA . 25859 1 506 . 1 1 46 46 THR CB C 13 72.630 0.30 . 1 . . . A 145 THR CB . 25859 1 507 . 1 1 46 46 THR N N 15 110.440 0.40 . 1 . . . A 145 THR N . 25859 1 508 . 1 1 47 47 PRO HA H 1 4.370 0.04 . 1 . . . A 146 PRO HA . 25859 1 509 . 1 1 47 47 PRO HB3 H 1 2.740 0.04 . 2 . . . A 146 PRO HB3 . 25859 1 510 . 1 1 47 47 PRO HG2 H 1 2.100 0.04 . 2 . . . A 146 PRO HG2 . 25859 1 511 . 1 1 47 47 PRO HG3 H 1 1.970 0.04 . 2 . . . A 146 PRO HG3 . 25859 1 512 . 1 1 47 47 PRO HD2 H 1 3.310 0.04 . 2 . . . A 146 PRO HD2 . 25859 1 513 . 1 1 47 47 PRO HD3 H 1 3.710 0.04 . 2 . . . A 146 PRO HD3 . 25859 1 514 . 1 1 47 47 PRO C C 13 176.100 0.30 . 1 . . . A 146 PRO C . 25859 1 515 . 1 1 47 47 PRO CA C 13 62.370 0.30 . 1 . . . A 146 PRO CA . 25859 1 516 . 1 1 47 47 PRO CB C 13 31.100 0.30 . 1 . . . A 146 PRO CB . 25859 1 517 . 1 1 47 47 PRO CG C 13 26.800 0.30 . 1 . . . A 146 PRO CG . 25859 1 518 . 1 1 47 47 PRO CD C 13 50.700 0.30 . 1 . . . A 146 PRO CD . 25859 1 519 . 1 1 48 48 LEU H H 1 7.010 0.04 . 1 . . . A 147 LEU H . 25859 1 520 . 1 1 48 48 LEU HA H 1 4.140 0.04 . 1 . . . A 147 LEU HA . 25859 1 521 . 1 1 48 48 LEU HB2 H 1 1.330 0.04 . 2 . . . A 147 LEU HB2 . 25859 1 522 . 1 1 48 48 LEU HB3 H 1 1.440 0.04 . 2 . . . A 147 LEU HB3 . 25859 1 523 . 1 1 48 48 LEU HG H 1 1.100 0.04 . 1 . . . A 147 LEU HG . 25859 1 524 . 1 1 48 48 LEU HD11 H 1 0.470 0.04 . 2 . . . A 147 LEU HD11 . 25859 1 525 . 1 1 48 48 LEU HD12 H 1 0.470 0.04 . 2 . . . A 147 LEU HD12 . 25859 1 526 . 1 1 48 48 LEU HD13 H 1 0.470 0.04 . 2 . . . A 147 LEU HD13 . 25859 1 527 . 1 1 48 48 LEU HD21 H 1 0.270 0.04 . 2 . . . A 147 LEU HD21 . 25859 1 528 . 1 1 48 48 LEU HD22 H 1 0.270 0.04 . 2 . . . A 147 LEU HD22 . 25859 1 529 . 1 1 48 48 LEU HD23 H 1 0.270 0.04 . 2 . . . A 147 LEU HD23 . 25859 1 530 . 1 1 48 48 LEU C C 13 176.300 0.30 . 1 . . . A 147 LEU C . 25859 1 531 . 1 1 48 48 LEU CA C 13 54.930 0.30 . 1 . . . A 147 LEU CA . 25859 1 532 . 1 1 48 48 LEU CB C 13 43.230 0.30 . 1 . . . A 147 LEU CB . 25859 1 533 . 1 1 48 48 LEU CG C 13 27.400 0.30 . 1 . . . A 147 LEU CG . 25859 1 534 . 1 1 48 48 LEU CD1 C 13 22.000 0.30 . 1 . . . A 147 LEU CD1 . 25859 1 535 . 1 1 48 48 LEU CD2 C 13 25.200 0.30 . 1 . . . A 147 LEU CD2 . 25859 1 536 . 1 1 48 48 LEU N N 15 116.360 0.40 . 1 . . . A 147 LEU N . 25859 1 537 . 1 1 49 49 LYS H H 1 8.250 0.04 . 1 . . . A 148 LYS H . 25859 1 538 . 1 1 49 49 LYS HA H 1 4.270 0.04 . 1 . . . A 148 LYS HA . 25859 1 539 . 1 1 49 49 LYS HB2 H 1 1.620 0.04 . 2 . . . A 148 LYS HB2 . 25859 1 540 . 1 1 49 49 LYS HG2 H 1 1.270 0.04 . 2 . . . A 148 LYS HG2 . 25859 1 541 . 1 1 49 49 LYS HD2 H 1 1.390 0.04 . 2 . . . A 148 LYS HD2 . 25859 1 542 . 1 1 49 49 LYS HE2 H 1 3.310 0.04 . 2 . . . A 148 LYS HE2 . 25859 1 543 . 1 1 49 49 LYS C C 13 175.500 0.30 . 1 . . . A 148 LYS C . 25859 1 544 . 1 1 49 49 LYS CA C 13 54.300 0.30 . 1 . . . A 148 LYS CA . 25859 1 545 . 1 1 49 49 LYS CB C 13 35.400 0.30 . 1 . . . A 148 LYS CB . 25859 1 546 . 1 1 49 49 LYS CG C 13 24.700 0.30 . 1 . . . A 148 LYS CG . 25859 1 547 . 1 1 49 49 LYS CD C 13 28.900 0.30 . 1 . . . A 148 LYS CD . 25859 1 548 . 1 1 49 49 LYS CE C 13 42.500 0.30 . 1 . . . A 148 LYS CE . 25859 1 549 . 1 1 49 49 LYS N N 15 122.800 0.40 . 1 . . . A 148 LYS N . 25859 1 550 . 1 1 50 50 PHE H H 1 8.240 0.04 . 1 . . . A 149 PHE H . 25859 1 551 . 1 1 50 50 PHE HA H 1 5.700 0.04 . 1 . . . A 149 PHE HA . 25859 1 552 . 1 1 50 50 PHE HB2 H 1 2.210 0.04 . 2 . . . A 149 PHE HB2 . 25859 1 553 . 1 1 50 50 PHE HB3 H 1 2.530 0.04 . 2 . . . A 149 PHE HB3 . 25859 1 554 . 1 1 50 50 PHE HD1 H 1 7.160 0.04 . 1 . . . A 149 PHE HD1 . 25859 1 555 . 1 1 50 50 PHE HE1 H 1 7.040 0.04 . 1 . . . A 149 PHE HE1 . 25859 1 556 . 1 1 50 50 PHE HZ H 1 6.800 0.04 . 1 . . . A 149 PHE HZ . 25859 1 557 . 1 1 50 50 PHE C C 13 176.600 0.30 . 1 . . . A 149 PHE C . 25859 1 558 . 1 1 50 50 PHE CA C 13 55.700 0.30 . 1 . . . A 149 PHE CA . 25859 1 559 . 1 1 50 50 PHE CB C 13 42.070 0.30 . 1 . . . A 149 PHE CB . 25859 1 560 . 1 1 50 50 PHE CD1 C 13 131.400 0.30 . 1 . . . A 149 PHE CD1 . 25859 1 561 . 1 1 50 50 PHE CE1 C 13 130.300 0.30 . 1 . . . A 149 PHE CE1 . 25859 1 562 . 1 1 50 50 PHE CZ C 13 126.600 0.30 . 1 . . . A 149 PHE CZ . 25859 1 563 . 1 1 50 50 PHE N N 15 119.370 0.40 . 1 . . . A 149 PHE N . 25859 1 564 . 1 1 51 51 SER H H 1 8.100 0.04 . 1 . . . A 150 SER H . 25859 1 565 . 1 1 51 51 SER HA H 1 4.620 0.04 . 1 . . . A 150 SER HA . 25859 1 566 . 1 1 51 51 SER HB2 H 1 3.430 0.04 . 2 . . . A 150 SER HB2 . 25859 1 567 . 1 1 51 51 SER HB3 H 1 3.540 0.04 . 2 . . . A 150 SER HB3 . 25859 1 568 . 1 1 51 51 SER C C 13 171.100 0.30 . 1 . . . A 150 SER C . 25859 1 569 . 1 1 51 51 SER CA C 13 56.870 0.30 . 1 . . . A 150 SER CA . 25859 1 570 . 1 1 51 51 SER CB C 13 65.800 0.30 . 1 . . . A 150 SER CB . 25859 1 571 . 1 1 51 51 SER N N 15 116.770 0.40 . 1 . . . A 150 SER N . 25859 1 572 . 1 1 52 52 LYS H H 1 8.150 0.04 . 1 . . . A 151 LYS H . 25859 1 573 . 1 1 52 52 LYS HA H 1 4.590 0.04 . 1 . . . A 151 LYS HA . 25859 1 574 . 1 1 52 52 LYS HB2 H 1 1.420 0.04 . 2 . . . A 151 LYS HB2 . 25859 1 575 . 1 1 52 52 LYS HB3 H 1 1.510 0.04 . 2 . . . A 151 LYS HB3 . 25859 1 576 . 1 1 52 52 LYS HG2 H 1 1.120 0.04 . 2 . . . A 151 LYS HG2 . 25859 1 577 . 1 1 52 52 LYS HD3 H 1 1.780 0.04 . 2 . . . A 151 LYS HD3 . 25859 1 578 . 1 1 52 52 LYS HE2 H 1 3.040 0.04 . 2 . . . A 151 LYS HE2 . 25859 1 579 . 1 1 52 52 LYS C C 13 176.600 0.30 . 1 . . . A 151 LYS C . 25859 1 580 . 1 1 52 52 LYS CA C 13 55.500 0.30 . 1 . . . A 151 LYS CA . 25859 1 581 . 1 1 52 52 LYS CB C 13 33.440 0.30 . 1 . . . A 151 LYS CB . 25859 1 582 . 1 1 52 52 LYS CG C 13 25.000 0.30 . 1 . . . A 151 LYS CG . 25859 1 583 . 1 1 52 52 LYS CD C 13 30.100 0.30 . 1 . . . A 151 LYS CD . 25859 1 584 . 1 1 52 52 LYS CE C 13 40.500 0.30 . 1 . . . A 151 LYS CE . 25859 1 585 . 1 1 52 52 LYS N N 15 127.660 0.40 . 1 . . . A 151 LYS N . 25859 1 586 . 1 1 53 53 ILE H H 1 8.750 0.04 . 1 . . . A 152 ILE H . 25859 1 587 . 1 1 53 53 ILE HA H 1 4.640 0.04 . 1 . . . A 152 ILE HA . 25859 1 588 . 1 1 53 53 ILE HB H 1 1.930 0.04 . 1 . . . A 152 ILE HB . 25859 1 589 . 1 1 53 53 ILE HG12 H 1 1.120 0.04 . 2 . . . A 152 ILE HG12 . 25859 1 590 . 1 1 53 53 ILE HG13 H 1 1.630 0.04 . 2 . . . A 152 ILE HG13 . 25859 1 591 . 1 1 53 53 ILE HG21 H 1 0.920 0.04 . 1 . . . A 152 ILE HG21 . 25859 1 592 . 1 1 53 53 ILE HG22 H 1 0.920 0.04 . 1 . . . A 152 ILE HG22 . 25859 1 593 . 1 1 53 53 ILE HG23 H 1 0.920 0.04 . 1 . . . A 152 ILE HG23 . 25859 1 594 . 1 1 53 53 ILE HD11 H 1 0.800 0.04 . 1 . . . A 152 ILE HD11 . 25859 1 595 . 1 1 53 53 ILE HD12 H 1 0.800 0.04 . 1 . . . A 152 ILE HD12 . 25859 1 596 . 1 1 53 53 ILE HD13 H 1 0.800 0.04 . 1 . . . A 152 ILE HD13 . 25859 1 597 . 1 1 53 53 ILE C C 13 175.400 0.30 . 1 . . . A 152 ILE C . 25859 1 598 . 1 1 53 53 ILE CA C 13 59.030 0.30 . 1 . . . A 152 ILE CA . 25859 1 599 . 1 1 53 53 ILE CB C 13 38.300 0.30 . 1 . . . A 152 ILE CB . 25859 1 600 . 1 1 53 53 ILE CG1 C 13 32.700 0.30 . 1 . . . A 152 ILE CG1 . 25859 1 601 . 1 1 53 53 ILE CG2 C 13 17.300 0.30 . 1 . . . A 152 ILE CG2 . 25859 1 602 . 1 1 53 53 ILE N N 15 123.710 0.40 . 1 . . . A 152 ILE N . 25859 1 603 . 1 1 54 54 ASN H H 1 8.840 0.04 . 1 . . . A 153 ASN H . 25859 1 604 . 1 1 54 54 ASN HA H 1 4.100 0.04 . 1 . . . A 153 ASN HA . 25859 1 605 . 1 1 54 54 ASN HB2 H 1 2.720 0.04 . 2 . . . A 153 ASN HB2 . 25859 1 606 . 1 1 54 54 ASN HB3 H 1 2.910 0.04 . 2 . . . A 153 ASN HB3 . 25859 1 607 . 1 1 54 54 ASN HD21 H 1 7.930 0.04 . 2 . . . A 153 ASN HD21 . 25859 1 608 . 1 1 54 54 ASN HD22 H 1 6.670 0.04 . 2 . . . A 153 ASN HD22 . 25859 1 609 . 1 1 54 54 ASN C C 13 175.100 0.30 . 1 . . . A 153 ASN C . 25859 1 610 . 1 1 54 54 ASN CA C 13 53.850 0.30 . 1 . . . A 153 ASN CA . 25859 1 611 . 1 1 54 54 ASN CB C 13 40.200 0.30 . 1 . . . A 153 ASN CB . 25859 1 612 . 1 1 54 54 ASN N N 15 119.440 0.40 . 1 . . . A 153 ASN N . 25859 1 613 . 1 1 54 54 ASN ND2 N 15 110.000 0.40 . 1 . . . A 153 ASN ND2 . 25859 1 614 . 1 1 55 55 THR H H 1 7.480 0.04 . 1 . . . A 154 THR H . 25859 1 615 . 1 1 55 55 THR HA H 1 4.750 0.04 . 1 . . . A 154 THR HA . 25859 1 616 . 1 1 55 55 THR HB H 1 4.400 0.04 . 1 . . . A 154 THR HB . 25859 1 617 . 1 1 55 55 THR HG21 H 1 1.110 0.04 . 1 . . . A 154 THR HG21 . 25859 1 618 . 1 1 55 55 THR HG22 H 1 1.110 0.04 . 1 . . . A 154 THR HG22 . 25859 1 619 . 1 1 55 55 THR HG23 H 1 1.110 0.04 . 1 . . . A 154 THR HG23 . 25859 1 620 . 1 1 55 55 THR C C 13 172.600 0.30 . 1 . . . A 154 THR C . 25859 1 621 . 1 1 55 55 THR CA C 13 60.430 0.30 . 1 . . . A 154 THR CA . 25859 1 622 . 1 1 55 55 THR CB C 13 70.900 0.30 . 1 . . . A 154 THR CB . 25859 1 623 . 1 1 55 55 THR CG2 C 13 20.800 0.30 . 1 . . . A 154 THR CG2 . 25859 1 624 . 1 1 55 55 THR N N 15 111.660 0.40 . 1 . . . A 154 THR N . 25859 1 625 . 1 1 56 56 GLY H H 1 8.300 0.04 . 1 . . . A 155 GLY H . 25859 1 626 . 1 1 56 56 GLY HA2 H 1 3.750 0.04 . 2 . . . A 155 GLY HA2 . 25859 1 627 . 1 1 56 56 GLY HA3 H 1 4.150 0.04 . 2 . . . A 155 GLY HA3 . 25859 1 628 . 1 1 56 56 GLY C C 13 175.600 0.30 . 1 . . . A 155 GLY C . 25859 1 629 . 1 1 56 56 GLY CA C 13 44.210 0.30 . 1 . . . A 155 GLY CA . 25859 1 630 . 1 1 56 56 GLY N N 15 109.870 0.40 . 1 . . . A 155 GLY N . 25859 1 631 . 1 1 57 57 MET H H 1 8.280 0.04 . 1 . . . A 156 MET H . 25859 1 632 . 1 1 57 57 MET HA H 1 4.440 0.04 . 1 . . . A 156 MET HA . 25859 1 633 . 1 1 57 57 MET HB2 H 1 1.920 0.04 . 2 . . . A 156 MET HB2 . 25859 1 634 . 1 1 57 57 MET HB3 H 1 2.090 0.04 . 2 . . . A 156 MET HB3 . 25859 1 635 . 1 1 57 57 MET HG2 H 1 2.530 0.04 . 2 . . . A 156 MET HG2 . 25859 1 636 . 1 1 57 57 MET HE1 H 1 1.970 0.04 . 1 . . . A 156 MET HE1 . 25859 1 637 . 1 1 57 57 MET HE2 H 1 1.970 0.04 . 1 . . . A 156 MET HE2 . 25859 1 638 . 1 1 57 57 MET HE3 H 1 1.970 0.04 . 1 . . . A 156 MET HE3 . 25859 1 639 . 1 1 57 57 MET C C 13 175.000 0.30 . 1 . . . A 156 MET C . 25859 1 640 . 1 1 57 57 MET CA C 13 55.300 0.30 . 1 . . . A 156 MET CA . 25859 1 641 . 1 1 57 57 MET CB C 13 31.700 0.30 . 1 . . . A 156 MET CB . 25859 1 642 . 1 1 57 57 MET CG C 13 30.200 0.30 . 1 . . . A 156 MET CG . 25859 1 643 . 1 1 57 57 MET CE C 13 20.800 0.30 . 1 . . . A 156 MET CE . 25859 1 644 . 1 1 57 57 MET N N 15 119.190 0.40 . 1 . . . A 156 MET N . 25859 1 645 . 1 1 58 58 ALA H H 1 7.950 0.04 . 1 . . . A 157 ALA H . 25859 1 646 . 1 1 58 58 ALA HA H 1 4.550 0.04 . 1 . . . A 157 ALA HA . 25859 1 647 . 1 1 58 58 ALA HB1 H 1 0.960 0.04 . 1 . . . A 157 ALA HB1 . 25859 1 648 . 1 1 58 58 ALA HB2 H 1 0.960 0.04 . 1 . . . A 157 ALA HB2 . 25859 1 649 . 1 1 58 58 ALA HB3 H 1 0.960 0.04 . 1 . . . A 157 ALA HB3 . 25859 1 650 . 1 1 58 58 ALA C C 13 176.500 0.30 . 1 . . . A 157 ALA C . 25859 1 651 . 1 1 58 58 ALA CA C 13 50.080 0.30 . 1 . . . A 157 ALA CA . 25859 1 652 . 1 1 58 58 ALA CB C 13 22.600 0.30 . 1 . . . A 157 ALA CB . 25859 1 653 . 1 1 58 58 ALA N N 15 127.230 0.40 . 1 . . . A 157 ALA N . 25859 1 654 . 1 1 59 59 ASP H H 1 8.110 0.04 . 1 . . . A 158 ASP H . 25859 1 655 . 1 1 59 59 ASP HA H 1 4.540 0.04 . 1 . . . A 158 ASP HA . 25859 1 656 . 1 1 59 59 ASP HB3 H 1 3.070 0.04 . 2 . . . A 158 ASP HB3 . 25859 1 657 . 1 1 59 59 ASP C C 13 177.100 0.30 . 1 . . . A 158 ASP C . 25859 1 658 . 1 1 59 59 ASP CA C 13 58.070 0.30 . 1 . . . A 158 ASP CA . 25859 1 659 . 1 1 59 59 ASP CB C 13 41.700 0.30 . 1 . . . A 158 ASP CB . 25859 1 660 . 1 1 59 59 ASP N N 15 121.540 0.40 . 1 . . . A 158 ASP N . 25859 1 661 . 1 1 60 60 ILE H H 1 8.870 0.04 . 1 . . . A 159 ILE H . 25859 1 662 . 1 1 60 60 ILE HA H 1 4.220 0.04 . 1 . . . A 159 ILE HA . 25859 1 663 . 1 1 60 60 ILE HB H 1 2.300 0.04 . 1 . . . A 159 ILE HB . 25859 1 664 . 1 1 60 60 ILE HG12 H 1 1.870 0.04 . 2 . . . A 159 ILE HG12 . 25859 1 665 . 1 1 60 60 ILE HG13 H 1 1.460 0.04 . 2 . . . A 159 ILE HG13 . 25859 1 666 . 1 1 60 60 ILE HG21 H 1 1.140 0.04 . 1 . . . A 159 ILE HG21 . 25859 1 667 . 1 1 60 60 ILE HG22 H 1 1.140 0.04 . 1 . . . A 159 ILE HG22 . 25859 1 668 . 1 1 60 60 ILE HG23 H 1 1.140 0.04 . 1 . . . A 159 ILE HG23 . 25859 1 669 . 1 1 60 60 ILE HD11 H 1 0.960 0.04 . 1 . . . A 159 ILE HD11 . 25859 1 670 . 1 1 60 60 ILE HD12 H 1 0.960 0.04 . 1 . . . A 159 ILE HD12 . 25859 1 671 . 1 1 60 60 ILE HD13 H 1 0.960 0.04 . 1 . . . A 159 ILE HD13 . 25859 1 672 . 1 1 60 60 ILE C C 13 173.200 0.30 . 1 . . . A 159 ILE C . 25859 1 673 . 1 1 60 60 ILE CA C 13 61.830 0.30 . 1 . . . A 159 ILE CA . 25859 1 674 . 1 1 60 60 ILE CB C 13 37.800 0.30 . 1 . . . A 159 ILE CB . 25859 1 675 . 1 1 60 60 ILE CG2 C 13 19.200 0.30 . 1 . . . A 159 ILE CG2 . 25859 1 676 . 1 1 60 60 ILE CD1 C 13 13.300 0.30 . 1 . . . A 159 ILE CD1 . 25859 1 677 . 1 1 60 60 ILE N N 15 124.130 0.40 . 1 . . . A 159 ILE N . 25859 1 678 . 1 1 61 61 LEU H H 1 7.690 0.04 . 1 . . . A 160 LEU H . 25859 1 679 . 1 1 61 61 LEU HA H 1 5.080 0.04 . 1 . . . A 160 LEU HA . 25859 1 680 . 1 1 61 61 LEU HB2 H 1 1.720 0.04 . 2 . . . A 160 LEU HB2 . 25859 1 681 . 1 1 61 61 LEU HG H 1 1.460 0.04 . 1 . . . A 160 LEU HG . 25859 1 682 . 1 1 61 61 LEU HD11 H 1 0.990 0.04 . 2 . . . A 160 LEU HD11 . 25859 1 683 . 1 1 61 61 LEU HD12 H 1 0.990 0.04 . 2 . . . A 160 LEU HD12 . 25859 1 684 . 1 1 61 61 LEU HD13 H 1 0.990 0.04 . 2 . . . A 160 LEU HD13 . 25859 1 685 . 1 1 61 61 LEU HD21 H 1 1.140 0.04 . 2 . . . A 160 LEU HD21 . 25859 1 686 . 1 1 61 61 LEU HD22 H 1 1.140 0.04 . 2 . . . A 160 LEU HD22 . 25859 1 687 . 1 1 61 61 LEU HD23 H 1 1.140 0.04 . 2 . . . A 160 LEU HD23 . 25859 1 688 . 1 1 61 61 LEU C C 13 175.700 0.30 . 1 . . . A 160 LEU C . 25859 1 689 . 1 1 61 61 LEU CA C 13 53.540 0.30 . 1 . . . A 160 LEU CA . 25859 1 690 . 1 1 61 61 LEU CB C 13 43.600 0.30 . 1 . . . A 160 LEU CB . 25859 1 691 . 1 1 61 61 LEU CG C 13 24.900 0.30 . 1 . . . A 160 LEU CG . 25859 1 692 . 1 1 61 61 LEU CD1 C 13 24.200 0.30 . 1 . . . A 160 LEU CD1 . 25859 1 693 . 1 1 61 61 LEU CD2 C 13 20.300 0.30 . 1 . . . A 160 LEU CD2 . 25859 1 694 . 1 1 61 61 LEU N N 15 130.080 0.40 . 1 . . . A 160 LEU N . 25859 1 695 . 1 1 62 62 VAL H H 1 8.790 0.04 . 1 . . . A 161 VAL H . 25859 1 696 . 1 1 62 62 VAL HA H 1 5.220 0.04 . 1 . . . A 161 VAL HA . 25859 1 697 . 1 1 62 62 VAL HB H 1 2.180 0.04 . 1 . . . A 161 VAL HB . 25859 1 698 . 1 1 62 62 VAL HG11 H 1 0.880 0.04 . 2 . . . A 161 VAL HG11 . 25859 1 699 . 1 1 62 62 VAL HG12 H 1 0.880 0.04 . 2 . . . A 161 VAL HG12 . 25859 1 700 . 1 1 62 62 VAL HG13 H 1 0.880 0.04 . 2 . . . A 161 VAL HG13 . 25859 1 701 . 1 1 62 62 VAL HG21 H 1 0.750 0.04 . 2 . . . A 161 VAL HG21 . 25859 1 702 . 1 1 62 62 VAL HG22 H 1 0.750 0.04 . 2 . . . A 161 VAL HG22 . 25859 1 703 . 1 1 62 62 VAL HG23 H 1 0.750 0.04 . 2 . . . A 161 VAL HG23 . 25859 1 704 . 1 1 62 62 VAL C C 13 175.200 0.30 . 1 . . . A 161 VAL C . 25859 1 705 . 1 1 62 62 VAL CA C 13 61.830 0.30 . 1 . . . A 161 VAL CA . 25859 1 706 . 1 1 62 62 VAL CB C 13 30.600 0.30 . 1 . . . A 161 VAL CB . 25859 1 707 . 1 1 62 62 VAL CG1 C 13 20.300 0.30 . 1 . . . A 161 VAL CG1 . 25859 1 708 . 1 1 62 62 VAL CG2 C 13 20.500 0.30 . 1 . . . A 161 VAL CG2 . 25859 1 709 . 1 1 62 62 VAL N N 15 125.500 0.40 . 1 . . . A 161 VAL N . 25859 1 710 . 1 1 63 63 VAL H H 1 8.630 0.04 . 1 . . . A 162 VAL H . 25859 1 711 . 1 1 63 63 VAL HA H 1 4.570 0.04 . 1 . . . A 162 VAL HA . 25859 1 712 . 1 1 63 63 VAL HB H 1 1.720 0.04 . 1 . . . A 162 VAL HB . 25859 1 713 . 1 1 63 63 VAL HG11 H 1 0.870 0.04 . 2 . . . A 162 VAL HG11 . 25859 1 714 . 1 1 63 63 VAL HG12 H 1 0.870 0.04 . 2 . . . A 162 VAL HG12 . 25859 1 715 . 1 1 63 63 VAL HG13 H 1 0.870 0.04 . 2 . . . A 162 VAL HG13 . 25859 1 716 . 1 1 63 63 VAL HG21 H 1 0.730 0.04 . 2 . . . A 162 VAL HG21 . 25859 1 717 . 1 1 63 63 VAL HG22 H 1 0.730 0.04 . 2 . . . A 162 VAL HG22 . 25859 1 718 . 1 1 63 63 VAL HG23 H 1 0.730 0.04 . 2 . . . A 162 VAL HG23 . 25859 1 719 . 1 1 63 63 VAL C C 13 174.800 0.30 . 1 . . . A 162 VAL C . 25859 1 720 . 1 1 63 63 VAL CA C 13 60.720 0.30 . 1 . . . A 162 VAL CA . 25859 1 721 . 1 1 63 63 VAL CB C 13 37.880 0.30 . 1 . . . A 162 VAL CB . 25859 1 722 . 1 1 63 63 VAL CG1 C 13 20.900 0.30 . 1 . . . A 162 VAL CG1 . 25859 1 723 . 1 1 63 63 VAL CG2 C 13 20.900 0.30 . 1 . . . A 162 VAL CG2 . 25859 1 724 . 1 1 63 63 VAL N N 15 126.840 0.40 . 1 . . . A 162 VAL N . 25859 1 725 . 1 1 64 64 PHE H H 1 8.580 0.04 . 1 . . . A 163 PHE H . 25859 1 726 . 1 1 64 64 PHE HA H 1 5.370 0.04 . 1 . . . A 163 PHE HA . 25859 1 727 . 1 1 64 64 PHE HB2 H 1 3.050 0.04 . 2 . . . A 163 PHE HB2 . 25859 1 728 . 1 1 64 64 PHE HB3 H 1 2.740 0.04 . 2 . . . A 163 PHE HB3 . 25859 1 729 . 1 1 64 64 PHE HD1 H 1 6.970 0.04 . 1 . . . A 163 PHE HD1 . 25859 1 730 . 1 1 64 64 PHE HE1 H 1 6.500 0.04 . 1 . . . A 163 PHE HE1 . 25859 1 731 . 1 1 64 64 PHE HZ H 1 6.060 0.04 . 1 . . . A 163 PHE HZ . 25859 1 732 . 1 1 64 64 PHE C C 13 176.100 0.30 . 1 . . . A 163 PHE C . 25859 1 733 . 1 1 64 64 PHE CA C 13 57.220 0.30 . 1 . . . A 163 PHE CA . 25859 1 734 . 1 1 64 64 PHE CB C 13 41.030 0.30 . 1 . . . A 163 PHE CB . 25859 1 735 . 1 1 64 64 PHE CD1 C 13 131.500 0.30 . 1 . . . A 163 PHE CD1 . 25859 1 736 . 1 1 64 64 PHE CE1 C 13 129.500 0.30 . 1 . . . A 163 PHE CE1 . 25859 1 737 . 1 1 64 64 PHE CZ C 13 127.200 0.30 . 1 . . . A 163 PHE CZ . 25859 1 738 . 1 1 64 64 PHE N N 15 125.680 0.40 . 1 . . . A 163 PHE N . 25859 1 739 . 1 1 65 65 ALA H H 1 9.110 0.04 . 1 . . . A 164 ALA H . 25859 1 740 . 1 1 65 65 ALA HA H 1 4.830 0.04 . 1 . . . A 164 ALA HA . 25859 1 741 . 1 1 65 65 ALA HB1 H 1 0.910 0.04 . 1 . . . A 164 ALA HB1 . 25859 1 742 . 1 1 65 65 ALA HB2 H 1 0.910 0.04 . 1 . . . A 164 ALA HB2 . 25859 1 743 . 1 1 65 65 ALA HB3 H 1 0.910 0.04 . 1 . . . A 164 ALA HB3 . 25859 1 744 . 1 1 65 65 ALA C C 13 174.800 0.30 . 1 . . . A 164 ALA C . 25859 1 745 . 1 1 65 65 ALA CA C 13 51.390 0.30 . 1 . . . A 164 ALA CA . 25859 1 746 . 1 1 65 65 ALA CB C 13 22.900 0.30 . 1 . . . A 164 ALA CB . 25859 1 747 . 1 1 65 65 ALA N N 15 126.020 0.40 . 1 . . . A 164 ALA N . 25859 1 748 . 1 1 66 66 ARG H H 1 8.840 0.04 . 1 . . . A 165 ARG H . 25859 1 749 . 1 1 66 66 ARG HA H 1 5.260 0.04 . 1 . . . A 165 ARG HA . 25859 1 750 . 1 1 66 66 ARG HB3 H 1 1.920 0.04 . 2 . . . A 165 ARG HB3 . 25859 1 751 . 1 1 66 66 ARG HG2 H 1 1.630 0.04 . 2 . . . A 165 ARG HG2 . 25859 1 752 . 1 1 66 66 ARG HD3 H 1 3.090 0.04 . 2 . . . A 165 ARG HD3 . 25859 1 753 . 1 1 66 66 ARG C C 13 175.700 0.30 . 1 . . . A 165 ARG C . 25859 1 754 . 1 1 66 66 ARG CA C 13 54.200 0.30 . 1 . . . A 165 ARG CA . 25859 1 755 . 1 1 66 66 ARG CB C 13 34.170 0.30 . 1 . . . A 165 ARG CB . 25859 1 756 . 1 1 66 66 ARG CG C 13 26.100 0.30 . 1 . . . A 165 ARG CG . 25859 1 757 . 1 1 66 66 ARG CD C 13 43.400 0.30 . 1 . . . A 165 ARG CD . 25859 1 758 . 1 1 66 66 ARG N N 15 118.190 0.40 . 1 . . . A 165 ARG N . 25859 1 759 . 1 1 67 67 GLY H H 1 9.530 0.04 . 1 . . . A 166 GLY H . 25859 1 760 . 1 1 67 67 GLY HA2 H 1 3.910 0.04 . 2 . . . A 166 GLY HA2 . 25859 1 761 . 1 1 67 67 GLY HA3 H 1 3.790 0.04 . 2 . . . A 166 GLY HA3 . 25859 1 762 . 1 1 67 67 GLY C C 13 175.500 0.30 . 1 . . . A 166 GLY C . 25859 1 763 . 1 1 67 67 GLY CA C 13 46.660 0.30 . 1 . . . A 166 GLY CA . 25859 1 764 . 1 1 67 67 GLY N N 15 108.410 0.40 . 1 . . . A 166 GLY N . 25859 1 765 . 1 1 68 68 ALA H H 1 9.210 0.04 . 1 . . . A 167 ALA H . 25859 1 766 . 1 1 68 68 ALA HA H 1 4.760 0.04 . 1 . . . A 167 ALA HA . 25859 1 767 . 1 1 68 68 ALA HB1 H 1 1.470 0.04 . 1 . . . A 167 ALA HB1 . 25859 1 768 . 1 1 68 68 ALA HB2 H 1 1.470 0.04 . 1 . . . A 167 ALA HB2 . 25859 1 769 . 1 1 68 68 ALA HB3 H 1 1.470 0.04 . 1 . . . A 167 ALA HB3 . 25859 1 770 . 1 1 68 68 ALA CA C 13 53.340 0.30 . 1 . . . A 167 ALA CA . 25859 1 771 . 1 1 68 68 ALA CB C 13 18.200 0.30 . 1 . . . A 167 ALA CB . 25859 1 772 . 1 1 68 68 ALA N N 15 134.120 0.40 . 1 . . . A 167 ALA N . 25859 1 773 . 1 1 69 69 HIS H H 1 9.330 0.04 . 1 . . . A 168 HIS H . 25859 1 774 . 1 1 69 69 HIS HA H 1 4.760 0.04 . 1 . . . A 168 HIS HA . 25859 1 775 . 1 1 69 69 HIS HB2 H 1 3.170 0.04 . 2 . . . A 168 HIS HB2 . 25859 1 776 . 1 1 69 69 HIS HB3 H 1 3.440 0.04 . 2 . . . A 168 HIS HB3 . 25859 1 777 . 1 1 69 69 HIS HD2 H 1 6.400 0.04 . 1 . . . A 168 HIS HD2 . 25859 1 778 . 1 1 69 69 HIS HE1 H 1 6.820 0.04 . 1 . . . A 168 HIS HE1 . 25859 1 779 . 1 1 69 69 HIS CD2 C 13 124.000 0.30 . 1 . . . A 168 HIS CD2 . 25859 1 780 . 1 1 69 69 HIS CE1 C 13 137.600 0.30 . 1 . . . A 168 HIS CE1 . 25859 1 781 . 1 1 69 69 HIS N N 15 120.790 0.40 . 1 . . . A 168 HIS N . 25859 1 782 . 1 1 70 70 GLY H H 1 8.600 0.04 . 1 . . . A 169 GLY H . 25859 1 783 . 1 1 70 70 GLY HA2 H 1 3.690 0.04 . 2 . . . A 169 GLY HA2 . 25859 1 784 . 1 1 70 70 GLY HA3 H 1 3.330 0.04 . 2 . . . A 169 GLY HA3 . 25859 1 785 . 1 1 70 70 GLY CA C 13 45.210 0.30 . 1 . . . A 169 GLY CA . 25859 1 786 . 1 1 70 70 GLY N N 15 106.010 0.40 . 1 . . . A 169 GLY N . 25859 1 787 . 1 1 71 71 ASP H H 1 8.150 0.04 . 1 . . . A 170 ASP H . 25859 1 788 . 1 1 71 71 ASP HA H 1 4.250 0.04 . 1 . . . A 170 ASP HA . 25859 1 789 . 1 1 71 71 ASP HB2 H 1 2.93 0.04 . 2 . . . A 170 ASP HB2 . 25859 1 790 . 1 1 71 71 ASP HB3 H 1 3.07 0.04 . 2 . . . A 170 ASP HB3 . 25859 1 791 . 1 1 71 71 ASP C C 13 176.300 0.30 . 1 . . . A 170 ASP C . 25859 1 792 . 1 1 71 71 ASP CA C 13 54.690 0.30 . 1 . . . A 170 ASP CA . 25859 1 793 . 1 1 71 71 ASP CB C 13 42.800 0.30 . 1 . . . A 170 ASP CB . 25859 1 794 . 1 1 71 71 ASP N N 15 120.950 0.40 . 1 . . . A 170 ASP N . 25859 1 795 . 1 1 72 72 PHE H H 1 8.220 0.04 . 1 . . . A 171 PHE H . 25859 1 796 . 1 1 72 72 PHE HA H 1 4.170 0.04 . 1 . . . A 171 PHE HA . 25859 1 797 . 1 1 72 72 PHE HB2 H 1 2.940 0.04 . 2 . . . A 171 PHE HB2 . 25859 1 798 . 1 1 72 72 PHE HB3 H 1 2.810 0.04 . 2 . . . A 171 PHE HB3 . 25859 1 799 . 1 1 72 72 PHE HD2 H 1 7.030 0.04 . 1 . . . A 171 PHE HD2 . 25859 1 800 . 1 1 72 72 PHE HE2 H 1 7.300 0.04 . 1 . . . A 171 PHE HE2 . 25859 1 801 . 1 1 72 72 PHE HZ H 1 7.260 0.04 . 1 . . . A 171 PHE HZ . 25859 1 802 . 1 1 72 72 PHE C C 13 176.300 0.30 . 1 . . . A 171 PHE C . 25859 1 803 . 1 1 72 72 PHE CA C 13 54.730 0.30 . 1 . . . A 171 PHE CA . 25859 1 804 . 1 1 72 72 PHE CB C 13 36.230 0.30 . 1 . . . A 171 PHE CB . 25859 1 805 . 1 1 72 72 PHE CD2 C 13 130.100 0.30 . 1 . . . A 171 PHE CD2 . 25859 1 806 . 1 1 72 72 PHE CE2 C 13 129.500 0.30 . 1 . . . A 171 PHE CE2 . 25859 1 807 . 1 1 72 72 PHE CZ C 13 128.000 0.30 . 1 . . . A 171 PHE CZ . 25859 1 808 . 1 1 72 72 PHE N N 15 122.630 0.40 . 1 . . . A 171 PHE N . 25859 1 809 . 1 1 73 73 HIS H H 1 8.220 0.04 . 1 . . . A 172 HIS H . 25859 1 810 . 1 1 73 73 HIS HA H 1 4.634 0.04 . 1 . . . A 172 HIS HA . 25859 1 811 . 1 1 73 73 HIS HB2 H 1 3.060 0.04 . 2 . . . A 172 HIS HB2 . 25859 1 812 . 1 1 73 73 HIS HB3 H 1 3.470 0.04 . 2 . . . A 172 HIS HB3 . 25859 1 813 . 1 1 73 73 HIS HD2 H 1 7.550 0.04 . 1 . . . A 172 HIS HD2 . 25859 1 814 . 1 1 73 73 HIS HE1 H 1 8.410 0.04 . 1 . . . A 172 HIS HE1 . 25859 1 815 . 1 1 73 73 HIS C C 13 174.700 0.30 . 1 . . . A 172 HIS C . 25859 1 816 . 1 1 73 73 HIS CA C 13 53.950 0.30 . 1 . . . A 172 HIS CA . 25859 1 817 . 1 1 73 73 HIS CB C 13 26.900 0.30 . 1 . . . A 172 HIS CB . 25859 1 818 . 1 1 73 73 HIS CD2 C 13 118.900 0.30 . 1 . . . A 172 HIS CD2 . 25859 1 819 . 1 1 73 73 HIS CE1 C 13 135.000 0.30 . 1 . . . A 172 HIS CE1 . 25859 1 820 . 1 1 73 73 HIS N N 15 122.000 0.40 . 1 . . . A 172 HIS N . 25859 1 821 . 1 1 74 74 ALA H H 1 8.300 0.04 . 1 . . . A 173 ALA H . 25859 1 822 . 1 1 74 74 ALA HA H 1 3.934 0.04 . 1 . . . A 173 ALA HA . 25859 1 823 . 1 1 74 74 ALA HB1 H 1 1.372 0.04 . 1 . . . A 173 ALA HB1 . 25859 1 824 . 1 1 74 74 ALA HB2 H 1 1.372 0.04 . 1 . . . A 173 ALA HB2 . 25859 1 825 . 1 1 74 74 ALA HB3 H 1 1.372 0.04 . 1 . . . A 173 ALA HB3 . 25859 1 826 . 1 1 74 74 ALA CA C 13 58.066 0.30 . 1 . . . A 173 ALA CA . 25859 1 827 . 1 1 74 74 ALA CB C 13 18.600 0.30 . 1 . . . A 173 ALA CB . 25859 1 828 . 1 1 74 74 ALA N N 15 123.300 0.40 . 1 . . . A 173 ALA N . 25859 1 829 . 1 1 75 75 PHE H H 1 8.270 0.04 . 1 . . . A 174 PHE H . 25859 1 830 . 1 1 75 75 PHE HA H 1 4.222 0.04 . 1 . . . A 174 PHE HA . 25859 1 831 . 1 1 75 75 PHE HB2 H 1 3.05 0.04 . 2 . . . A 174 PHE HB2 . 25859 1 832 . 1 1 75 75 PHE HB3 H 1 2.92 0.04 . 2 . . . A 174 PHE HB3 . 25859 1 833 . 1 1 75 75 PHE HD2 H 1 7.310 0.04 . 1 . . . A 174 PHE HD2 . 25859 1 834 . 1 1 75 75 PHE HE2 H 1 7.220 0.04 . 1 . . . A 174 PHE HE2 . 25859 1 835 . 1 1 75 75 PHE HZ H 1 7.020 0.04 . 1 . . . A 174 PHE HZ . 25859 1 836 . 1 1 75 75 PHE C C 13 176.200 0.30 . 1 . . . A 174 PHE C . 25859 1 837 . 1 1 75 75 PHE CA C 13 57.430 0.30 . 1 . . . A 174 PHE CA . 25859 1 838 . 1 1 75 75 PHE CB C 13 38.660 0.30 . 1 . . . A 174 PHE CB . 25859 1 839 . 1 1 75 75 PHE CD2 C 13 129.500 0.30 . 1 . . . A 174 PHE CD2 . 25859 1 840 . 1 1 75 75 PHE CE2 C 13 129.500 0.30 . 1 . . . A 174 PHE CE2 . 25859 1 841 . 1 1 75 75 PHE CZ C 13 127.700 0.30 . 1 . . . A 174 PHE CZ . 25859 1 842 . 1 1 75 75 PHE N N 15 121.320 0.40 . 1 . . . A 174 PHE N . 25859 1 843 . 1 1 76 76 ASP H H 1 8.250 0.04 . 1 . . . A 175 ASP H . 25859 1 844 . 1 1 76 76 ASP HA H 1 4.880 0.04 . 1 . . . A 175 ASP HA . 25859 1 845 . 1 1 76 76 ASP HB2 H 1 3.150 0.04 . 2 . . . A 175 ASP HB2 . 25859 1 846 . 1 1 76 76 ASP HB3 H 1 3.04 0.04 . 2 . . . A 175 ASP HB3 . 25859 1 847 . 1 1 76 76 ASP C C 13 177.300 0.30 . 1 . . . A 175 ASP C . 25859 1 848 . 1 1 76 76 ASP CA C 13 54.040 0.30 . 1 . . . A 175 ASP CA . 25859 1 849 . 1 1 76 76 ASP CB C 13 41.700 0.30 . 1 . . . A 175 ASP CB . 25859 1 850 . 1 1 76 76 ASP N N 15 116.500 0.40 . 1 . . . A 175 ASP N . 25859 1 851 . 1 1 77 77 GLY H H 1 8.800 0.04 . 1 . . . A 176 GLY H . 25859 1 852 . 1 1 77 77 GLY HA2 H 1 4.450 0.04 . 2 . . . A 176 GLY HA2 . 25859 1 853 . 1 1 77 77 GLY HA3 H 1 4.290 0.04 . 2 . . . A 176 GLY HA3 . 25859 1 854 . 1 1 77 77 GLY CA C 13 43.670 0.30 . 1 . . . A 176 GLY CA . 25859 1 855 . 1 1 77 77 GLY N N 15 110.060 0.40 . 1 . . . A 176 GLY N . 25859 1 856 . 1 1 78 78 LYS H H 1 8.750 0.04 . 1 . . . A 177 LYS H . 25859 1 857 . 1 1 78 78 LYS HA H 1 3.460 0.04 . 1 . . . A 177 LYS HA . 25859 1 858 . 1 1 78 78 LYS HB2 H 1 1.630 0.04 . 2 . . . A 177 LYS HB2 . 25859 1 859 . 1 1 78 78 LYS HG3 H 1 1.330 0.04 . 2 . . . A 177 LYS HG3 . 25859 1 860 . 1 1 78 78 LYS HD3 H 1 1.730 0.04 . 2 . . . A 177 LYS HD3 . 25859 1 861 . 1 1 78 78 LYS HE2 H 1 2.540 0.04 . 2 . . . A 177 LYS HE2 . 25859 1 862 . 1 1 78 78 LYS C C 13 177.900 0.30 . 1 . . . A 177 LYS C . 25859 1 863 . 1 1 78 78 LYS CA C 13 58.530 0.30 . 1 . . . A 177 LYS CA . 25859 1 864 . 1 1 78 78 LYS CB C 13 32.280 0.30 . 1 . . . A 177 LYS CB . 25859 1 865 . 1 1 78 78 LYS CG C 13 24.800 0.30 . 1 . . . A 177 LYS CG . 25859 1 866 . 1 1 78 78 LYS CD C 13 29.300 0.30 . 1 . . . A 177 LYS CD . 25859 1 867 . 1 1 78 78 LYS CE C 13 42.300 0.30 . 1 . . . A 177 LYS CE . 25859 1 868 . 1 1 78 78 LYS N N 15 124.290 0.40 . 1 . . . A 177 LYS N . 25859 1 869 . 1 1 79 79 GLY H H 1 10.980 0.04 . 1 . . . A 178 GLY H . 25859 1 870 . 1 1 79 79 GLY HA2 H 1 4.210 0.04 . 2 . . . A 178 GLY HA2 . 25859 1 871 . 1 1 79 79 GLY HA3 H 1 3.560 0.04 . 2 . . . A 178 GLY HA3 . 25859 1 872 . 1 1 79 79 GLY C C 13 174.400 0.30 . 1 . . . A 178 GLY C . 25859 1 873 . 1 1 79 79 GLY CA C 13 43.010 0.30 . 1 . . . A 178 GLY CA . 25859 1 874 . 1 1 79 79 GLY N N 15 121.280 0.40 . 1 . . . A 178 GLY N . 25859 1 875 . 1 1 80 80 GLY H H 1 8.540 0.04 . 1 . . . A 179 GLY H . 25859 1 876 . 1 1 80 80 GLY HA2 H 1 3.470 0.04 . 2 . . . A 179 GLY HA2 . 25859 1 877 . 1 1 80 80 GLY HA3 H 1 4.080 0.04 . 2 . . . A 179 GLY HA3 . 25859 1 878 . 1 1 80 80 GLY CA C 13 46.750 0.30 . 1 . . . A 179 GLY CA . 25859 1 879 . 1 1 80 80 GLY N N 15 110.400 0.40 . 1 . . . A 179 GLY N . 25859 1 880 . 1 1 81 81 ILE H H 1 10.790 0.04 . 1 . . . A 180 ILE H . 25859 1 881 . 1 1 81 81 ILE HA H 1 3.934 0.04 . 1 . . . A 180 ILE HA . 25859 1 882 . 1 1 81 81 ILE HB H 1 2.070 0.04 . 1 . . . A 180 ILE HB . 25859 1 883 . 1 1 81 81 ILE HG12 H 1 1.320 0.04 . 2 . . . A 180 ILE HG12 . 25859 1 884 . 1 1 81 81 ILE HG13 H 1 1.720 0.04 . 2 . . . A 180 ILE HG13 . 25859 1 885 . 1 1 81 81 ILE HG21 H 1 1.200 0.04 . 1 . . . A 180 ILE HG21 . 25859 1 886 . 1 1 81 81 ILE HG22 H 1 1.200 0.04 . 1 . . . A 180 ILE HG22 . 25859 1 887 . 1 1 81 81 ILE HG23 H 1 1.200 0.04 . 1 . . . A 180 ILE HG23 . 25859 1 888 . 1 1 81 81 ILE HD11 H 1 0.970 0.04 . 1 . . . A 180 ILE HD11 . 25859 1 889 . 1 1 81 81 ILE HD12 H 1 0.970 0.04 . 1 . . . A 180 ILE HD12 . 25859 1 890 . 1 1 81 81 ILE HD13 H 1 0.970 0.04 . 1 . . . A 180 ILE HD13 . 25859 1 891 . 1 1 81 81 ILE CA C 13 62.350 0.30 . 1 . . . A 180 ILE CA . 25859 1 892 . 1 1 81 81 ILE CB C 13 33.400 0.30 . 1 . . . A 180 ILE CB . 25859 1 893 . 1 1 81 81 ILE CG1 C 13 25.000 0.30 . 1 . . . A 180 ILE CG1 . 25859 1 894 . 1 1 81 81 ILE CG2 C 13 20.800 0.30 . 1 . . . A 180 ILE CG2 . 25859 1 895 . 1 1 81 81 ILE CD1 C 13 17.500 0.30 . 1 . . . A 180 ILE CD1 . 25859 1 896 . 1 1 81 81 ILE N N 15 132.140 0.40 . 1 . . . A 180 ILE N . 25859 1 897 . 1 1 82 82 LEU H H 1 8.310 0.04 . 1 . . . A 181 LEU H . 25859 1 898 . 1 1 82 82 LEU HA H 1 5.030 0.04 . 1 . . . A 181 LEU HA . 25859 1 899 . 1 1 82 82 LEU C C 13 176.600 0.30 . 1 . . . A 181 LEU C . 25859 1 900 . 1 1 82 82 LEU CA C 13 52.400 0.30 . 1 . . . A 181 LEU CA . 25859 1 901 . 1 1 82 82 LEU CB C 13 43.000 0.30 . 1 . . . A 181 LEU CB . 25859 1 902 . 1 1 82 82 LEU CG C 13 26.900 0.30 . 1 . . . A 181 LEU CG . 25859 1 903 . 1 1 82 82 LEU CD1 C 13 19.300 0.30 . 1 . . . A 181 LEU CD1 . 25859 1 904 . 1 1 82 82 LEU CD2 C 13 22.000 0.30 . 1 . . . A 181 LEU CD2 . 25859 1 905 . 1 1 82 82 LEU N N 15 126.600 0.40 . 1 . . . A 181 LEU N . 25859 1 906 . 1 1 83 83 ALA H H 1 8.370 0.04 . 1 . . . A 182 ALA H . 25859 1 907 . 1 1 83 83 ALA HA H 1 3.730 0.04 . 1 . . . A 182 ALA HA . 25859 1 908 . 1 1 83 83 ALA HB1 H 1 1.500 0.04 . 1 . . . A 182 ALA HB1 . 25859 1 909 . 1 1 83 83 ALA HB2 H 1 1.500 0.04 . 1 . . . A 182 ALA HB2 . 25859 1 910 . 1 1 83 83 ALA HB3 H 1 1.500 0.04 . 1 . . . A 182 ALA HB3 . 25859 1 911 . 1 1 83 83 ALA CA C 13 54.000 0.30 . 1 . . . A 182 ALA CA . 25859 1 912 . 1 1 83 83 ALA CB C 13 17.900 0.30 . 1 . . . A 182 ALA CB . 25859 1 913 . 1 1 83 83 ALA N N 15 120.930 0.40 . 1 . . . A 182 ALA N . 25859 1 914 . 1 1 84 84 HIS H H 1 8.860 0.04 . 1 . . . A 183 HIS H . 25859 1 915 . 1 1 84 84 HIS HA H 1 3.970 0.04 . 1 . . . A 183 HIS HA . 25859 1 916 . 1 1 84 84 HIS HB2 H 1 3.220 0.04 . 2 . . . A 183 HIS HB2 . 25859 1 917 . 1 1 84 84 HIS HB3 H 1 3.460 0.04 . 2 . . . A 183 HIS HB3 . 25859 1 918 . 1 1 84 84 HIS HD2 H 1 7.130 0.04 . 1 . . . A 183 HIS HD2 . 25859 1 919 . 1 1 84 84 HIS HE1 H 1 7.830 0.04 . 1 . . . A 183 HIS HE1 . 25859 1 920 . 1 1 84 84 HIS C C 13 174.800 0.30 . 1 . . . A 183 HIS C . 25859 1 921 . 1 1 84 84 HIS CA C 13 55.300 0.30 . 1 . . . A 183 HIS CA . 25859 1 922 . 1 1 84 84 HIS CB C 13 30.000 0.30 . 1 . . . A 183 HIS CB . 25859 1 923 . 1 1 84 84 HIS CD2 C 13 120.000 0.30 . 1 . . . A 183 HIS CD2 . 25859 1 924 . 1 1 84 84 HIS CE1 C 13 136.000 0.30 . 1 . . . A 183 HIS CE1 . 25859 1 925 . 1 1 84 84 HIS N N 15 115.900 0.40 . 1 . . . A 183 HIS N . 25859 1 926 . 1 1 85 85 ALA H H 1 9.080 0.04 . 1 . . . A 184 ALA H . 25859 1 927 . 1 1 85 85 ALA HA H 1 4.140 0.04 . 1 . . . A 184 ALA HA . 25859 1 928 . 1 1 85 85 ALA HB1 H 1 1.400 0.04 . 1 . . . A 184 ALA HB1 . 25859 1 929 . 1 1 85 85 ALA HB2 H 1 1.400 0.04 . 1 . . . A 184 ALA HB2 . 25859 1 930 . 1 1 85 85 ALA HB3 H 1 1.400 0.04 . 1 . . . A 184 ALA HB3 . 25859 1 931 . 1 1 85 85 ALA CA C 13 52.150 0.30 . 1 . . . A 184 ALA CA . 25859 1 932 . 1 1 85 85 ALA CB C 13 21.800 0.30 . 1 . . . A 184 ALA CB . 25859 1 933 . 1 1 85 85 ALA N N 15 121.080 0.40 . 1 . . . A 184 ALA N . 25859 1 934 . 1 1 86 86 PHE H H 1 11.780 0.04 . 1 . . . A 185 PHE H . 25859 1 935 . 1 1 86 86 PHE HA H 1 4.690 0.04 . 1 . . . A 185 PHE HA . 25859 1 936 . 1 1 86 86 PHE HB2 H 1 3.300 0.04 . 2 . . . A 185 PHE HB2 . 25859 1 937 . 1 1 86 86 PHE HB3 H 1 3.570 0.04 . 2 . . . A 185 PHE HB3 . 25859 1 938 . 1 1 86 86 PHE C C 13 180.500 0.30 . 1 . . . A 185 PHE C . 25859 1 939 . 1 1 86 86 PHE CA C 13 59.400 0.30 . 1 . . . A 185 PHE CA . 25859 1 940 . 1 1 86 86 PHE CB C 13 37.000 0.30 . 1 . . . A 185 PHE CB . 25859 1 941 . 1 1 86 86 PHE N N 15 135.900 0.40 . 1 . . . A 185 PHE N . 25859 1 942 . 1 1 87 87 GLY H H 1 8.320 0.04 . 1 . . . A 186 GLY H . 25859 1 943 . 1 1 87 87 GLY HA2 H 1 4.110 0.04 . 2 . . . A 186 GLY HA2 . 25859 1 944 . 1 1 87 87 GLY HA3 H 1 4.210 0.04 . 2 . . . A 186 GLY HA3 . 25859 1 945 . 1 1 87 87 GLY CA C 13 48.000 0.30 . 1 . . . A 186 GLY CA . 25859 1 946 . 1 1 87 87 GLY N N 15 108.200 0.40 . 1 . . . A 186 GLY N . 25859 1 947 . 1 1 88 88 PRO CA C 13 63.870 0.30 . 1 . . . A 187 PRO CA . 25859 1 948 . 1 1 88 88 PRO CB C 13 27.000 0.30 . 1 . . . A 187 PRO CB . 25859 1 949 . 1 1 88 88 PRO CG C 13 29.100 0.30 . 1 . . . A 187 PRO CG . 25859 1 950 . 1 1 89 89 GLY H H 1 5.750 0.04 . 1 . . . A 188 GLY H . 25859 1 951 . 1 1 89 89 GLY HA2 H 1 3.920 0.04 . 2 . . . A 188 GLY HA2 . 25859 1 952 . 1 1 89 89 GLY HA3 H 1 3.520 0.04 . 2 . . . A 188 GLY HA3 . 25859 1 953 . 1 1 89 89 GLY C C 13 179.400 0.30 . 1 . . . A 188 GLY C . 25859 1 954 . 1 1 89 89 GLY CA C 13 44.200 0.30 . 1 . . . A 188 GLY CA . 25859 1 955 . 1 1 89 89 GLY N N 15 109.990 0.40 . 1 . . . A 188 GLY N . 25859 1 956 . 1 1 90 90 SER H H 1 8.090 0.04 . 1 . . . A 189 SER H . 25859 1 957 . 1 1 90 90 SER HA H 1 4.360 0.04 . 1 . . . A 189 SER HA . 25859 1 958 . 1 1 90 90 SER HB2 H 1 4.190 0.04 . 2 . . . A 189 SER HB2 . 25859 1 959 . 1 1 90 90 SER HB3 H 1 3.990 0.04 . 2 . . . A 189 SER HB3 . 25859 1 960 . 1 1 90 90 SER CA C 13 58.850 0.30 . 1 . . . A 189 SER CA . 25859 1 961 . 1 1 90 90 SER CB C 13 64.600 0.30 . 1 . . . A 189 SER CB . 25859 1 962 . 1 1 90 90 SER N N 15 114.650 0.40 . 1 . . . A 189 SER N . 25859 1 963 . 1 1 91 91 GLY H H 1 9.240 0.04 . 1 . . . A 190 GLY H . 25859 1 964 . 1 1 91 91 GLY HA3 H 1 3.800 0.04 . 2 . . . A 190 GLY HA3 . 25859 1 965 . 1 1 91 91 GLY CA C 13 47.350 0.30 . 1 . . . A 190 GLY CA . 25859 1 966 . 1 1 91 91 GLY N N 15 111.350 0.40 . 1 . . . A 190 GLY N . 25859 1 967 . 1 1 92 92 ILE H H 1 9.040 0.04 . 1 . . . A 191 ILE H . 25859 1 968 . 1 1 92 92 ILE HA H 1 4.020 0.04 . 1 . . . A 191 ILE HA . 25859 1 969 . 1 1 92 92 ILE HB H 1 2.120 0.04 . 1 . . . A 191 ILE HB . 25859 1 970 . 1 1 92 92 ILE HG13 H 1 1.460 0.04 . 2 . . . A 191 ILE HG13 . 25859 1 971 . 1 1 92 92 ILE HG21 H 1 0.510 0.04 . 1 . . . A 191 ILE HG21 . 25859 1 972 . 1 1 92 92 ILE HG22 H 1 0.510 0.04 . 1 . . . A 191 ILE HG22 . 25859 1 973 . 1 1 92 92 ILE HG23 H 1 0.510 0.04 . 1 . . . A 191 ILE HG23 . 25859 1 974 . 1 1 92 92 ILE HD11 H 1 0.460 0.04 . 1 . . . A 191 ILE HD11 . 25859 1 975 . 1 1 92 92 ILE HD12 H 1 0.460 0.04 . 1 . . . A 191 ILE HD12 . 25859 1 976 . 1 1 92 92 ILE HD13 H 1 0.460 0.04 . 1 . . . A 191 ILE HD13 . 25859 1 977 . 1 1 92 92 ILE CA C 13 62.340 0.30 . 1 . . . A 191 ILE CA . 25859 1 978 . 1 1 92 92 ILE CB C 13 38.000 0.30 . 1 . . . A 191 ILE CB . 25859 1 979 . 1 1 92 92 ILE CG1 C 13 27.500 0.30 . 1 . . . A 191 ILE CG1 . 25859 1 980 . 1 1 92 92 ILE CG2 C 13 22.600 0.30 . 1 . . . A 191 ILE CG2 . 25859 1 981 . 1 1 92 92 ILE CD1 C 13 16.500 0.30 . 1 . . . A 191 ILE CD1 . 25859 1 982 . 1 1 92 92 ILE N N 15 133.470 0.40 . 1 . . . A 191 ILE N . 25859 1 983 . 1 1 93 93 GLY H H 1 7.810 0.04 . 1 . . . A 192 GLY H . 25859 1 984 . 1 1 93 93 GLY HA3 H 1 3.800 0.04 . 2 . . . A 192 GLY HA3 . 25859 1 985 . 1 1 93 93 GLY CA C 13 46.100 0.30 . 1 . . . A 192 GLY CA . 25859 1 986 . 1 1 93 93 GLY N N 15 105.280 0.40 . 1 . . . A 192 GLY N . 25859 1 987 . 1 1 94 94 GLY H H 1 8.130 0.04 . 1 . . . A 193 GLY H . 25859 1 988 . 1 1 94 94 GLY HA2 H 1 3.900 0.04 . 2 . . . A 193 GLY HA2 . 25859 1 989 . 1 1 94 94 GLY HA3 H 1 4.290 0.04 . 2 . . . A 193 GLY HA3 . 25859 1 990 . 1 1 94 94 GLY CA C 13 46.400 0.30 . 1 . . . A 193 GLY CA . 25859 1 991 . 1 1 94 94 GLY N N 15 115.850 0.40 . 1 . . . A 193 GLY N . 25859 1 992 . 1 1 95 95 ASP H H 1 8.280 0.04 . 1 . . . A 194 ASP H . 25859 1 993 . 1 1 95 95 ASP HA H 1 4.312 0.04 . 1 . . . A 194 ASP HA . 25859 1 994 . 1 1 95 95 ASP HB2 H 1 2.990 0.04 . 2 . . . A 194 ASP HB2 . 25859 1 995 . 1 1 95 95 ASP C C 13 175.000 0.30 . 1 . . . A 194 ASP C . 25859 1 996 . 1 1 95 95 ASP CA C 13 56.580 0.30 . 1 . . . A 194 ASP CA . 25859 1 997 . 1 1 95 95 ASP CB C 13 39.500 0.30 . 1 . . . A 194 ASP CB . 25859 1 998 . 1 1 95 95 ASP N N 15 122.470 0.40 . 1 . . . A 194 ASP N . 25859 1 999 . 1 1 96 96 ALA H H 1 8.630 0.04 . 1 . . . A 195 ALA H . 25859 1 1000 . 1 1 96 96 ALA HA H 1 4.770 0.04 . 1 . . . A 195 ALA HA . 25859 1 1001 . 1 1 96 96 ALA HB1 H 1 1.040 0.04 . 1 . . . A 195 ALA HB1 . 25859 1 1002 . 1 1 96 96 ALA HB2 H 1 1.040 0.04 . 1 . . . A 195 ALA HB2 . 25859 1 1003 . 1 1 96 96 ALA HB3 H 1 1.040 0.04 . 1 . . . A 195 ALA HB3 . 25859 1 1004 . 1 1 96 96 ALA CA C 13 51.100 0.30 . 1 . . . A 195 ALA CA . 25859 1 1005 . 1 1 96 96 ALA N N 15 119.890 0.40 . 1 . . . A 195 ALA N . 25859 1 1006 . 1 1 97 97 HIS H H 1 9.000 0.04 . 1 . . . A 196 HIS H . 25859 1 1007 . 1 1 97 97 HIS HA H 1 4.810 0.04 . 1 . . . A 196 HIS HA . 25859 1 1008 . 1 1 97 97 HIS HB2 H 1 2.530 0.04 . 2 . . . A 196 HIS HB2 . 25859 1 1009 . 1 1 97 97 HIS HB3 H 1 3.360 0.04 . 2 . . . A 196 HIS HB3 . 25859 1 1010 . 1 1 97 97 HIS HD2 H 1 6.520 0.04 . 1 . . . A 196 HIS HD2 . 25859 1 1011 . 1 1 97 97 HIS HE1 H 1 8.460 0.04 . 1 . . . A 196 HIS HE1 . 25859 1 1012 . 1 1 97 97 HIS C C 13 172.900 0.30 . 1 . . . A 196 HIS C . 25859 1 1013 . 1 1 97 97 HIS CA C 13 50.500 0.30 . 1 . . . A 196 HIS CA . 25859 1 1014 . 1 1 97 97 HIS CB C 13 34.100 0.30 . 1 . . . A 196 HIS CB . 25859 1 1015 . 1 1 97 97 HIS CD2 C 13 122.100 0.30 . 1 . . . A 196 HIS CD2 . 25859 1 1016 . 1 1 97 97 HIS CE1 C 13 140.300 0.30 . 1 . . . A 196 HIS CE1 . 25859 1 1017 . 1 1 97 97 HIS N N 15 120.880 0.40 . 1 . . . A 196 HIS N . 25859 1 1018 . 1 1 98 98 PHE H H 1 9.140 0.04 . 1 . . . A 197 PHE H . 25859 1 1019 . 1 1 98 98 PHE HA H 1 4.320 0.04 . 1 . . . A 197 PHE HA . 25859 1 1020 . 1 1 98 98 PHE HB2 H 1 1.720 0.04 . 2 . . . A 197 PHE HB2 . 25859 1 1021 . 1 1 98 98 PHE HB3 H 1 2.250 0.04 . 2 . . . A 197 PHE HB3 . 25859 1 1022 . 1 1 98 98 PHE HD2 H 1 6.250 0.04 . 1 . . . A 197 PHE HD2 . 25859 1 1023 . 1 1 98 98 PHE HE2 H 1 6.510 0.04 . 1 . . . A 197 PHE HE2 . 25859 1 1024 . 1 1 98 98 PHE HZ H 1 6.380 0.04 . 1 . . . A 197 PHE HZ . 25859 1 1025 . 1 1 98 98 PHE C C 13 174.200 0.30 . 1 . . . A 197 PHE C . 25859 1 1026 . 1 1 98 98 PHE CA C 13 57.040 0.30 . 1 . . . A 197 PHE CA . 25859 1 1027 . 1 1 98 98 PHE CB C 13 41.480 0.30 . 1 . . . A 197 PHE CB . 25859 1 1028 . 1 1 98 98 PHE CD2 C 13 129.800 0.30 . 1 . . . A 197 PHE CD2 . 25859 1 1029 . 1 1 98 98 PHE CE2 C 13 126.600 0.30 . 1 . . . A 197 PHE CE2 . 25859 1 1030 . 1 1 98 98 PHE CZ C 13 123.700 0.30 . 1 . . . A 197 PHE CZ . 25859 1 1031 . 1 1 98 98 PHE N N 15 122.750 0.40 . 1 . . . A 197 PHE N . 25859 1 1032 . 1 1 99 99 ASP H H 1 8.040 0.04 . 1 . . . A 198 ASP H . 25859 1 1033 . 1 1 99 99 ASP HA H 1 4.340 0.04 . 1 . . . A 198 ASP HA . 25859 1 1034 . 1 1 99 99 ASP HB2 H 1 3.120 0.04 . 2 . . . A 198 ASP HB2 . 25859 1 1035 . 1 1 99 99 ASP HB3 H 1 3.470 0.04 . 2 . . . A 198 ASP HB3 . 25859 1 1036 . 1 1 99 99 ASP C C 13 179.400 0.30 . 1 . . . A 198 ASP C . 25859 1 1037 . 1 1 99 99 ASP CA C 13 54.260 0.30 . 1 . . . A 198 ASP CA . 25859 1 1038 . 1 1 99 99 ASP CB C 13 40.500 0.30 . 1 . . . A 198 ASP CB . 25859 1 1039 . 1 1 99 99 ASP N N 15 122.570 0.40 . 1 . . . A 198 ASP N . 25859 1 1040 . 1 1 100 100 GLU H H 1 9.560 0.04 . 1 . . . A 199 GLU H . 25859 1 1041 . 1 1 100 100 GLU HA H 1 4.490 0.04 . 1 . . . A 199 GLU HA . 25859 1 1042 . 1 1 100 100 GLU HB3 H 1 1.740 0.04 . 2 . . . A 199 GLU HB3 . 25859 1 1043 . 1 1 100 100 GLU HG2 H 1 2.050 0.04 . 2 . . . A 199 GLU HG2 . 25859 1 1044 . 1 1 100 100 GLU C C 13 176.600 0.30 . 1 . . . A 199 GLU C . 25859 1 1045 . 1 1 100 100 GLU CA C 13 56.380 0.30 . 1 . . . A 199 GLU CA . 25859 1 1046 . 1 1 100 100 GLU CB C 13 31.800 0.30 . 1 . . . A 199 GLU CB . 25859 1 1047 . 1 1 100 100 GLU CG C 13 36.400 0.30 . 1 . . . A 199 GLU CG . 25859 1 1048 . 1 1 100 100 GLU N N 15 130.440 0.40 . 1 . . . A 199 GLU N . 25859 1 1049 . 1 1 101 101 ASP H H 1 9.080 0.04 . 1 . . . A 200 ASP H . 25859 1 1050 . 1 1 101 101 ASP HA H 1 4.810 0.04 . 1 . . . A 200 ASP HA . 25859 1 1051 . 1 1 101 101 ASP HB2 H 1 2.690 0.04 . 2 . . . A 200 ASP HB2 . 25859 1 1052 . 1 1 101 101 ASP HB3 H 1 2.560 0.04 . 2 . . . A 200 ASP HB3 . 25859 1 1053 . 1 1 101 101 ASP C C 13 177.300 0.30 . 1 . . . A 200 ASP C . 25859 1 1054 . 1 1 101 101 ASP CA C 13 56.910 0.30 . 1 . . . A 200 ASP CA . 25859 1 1055 . 1 1 101 101 ASP CB C 13 39.600 0.30 . 1 . . . A 200 ASP CB . 25859 1 1056 . 1 1 101 101 ASP N N 15 119.500 0.40 . 1 . . . A 200 ASP N . 25859 1 1057 . 1 1 102 102 GLU H H 1 7.390 0.04 . 1 . . . A 201 GLU H . 25859 1 1058 . 1 1 102 102 GLU HA H 1 4.470 0.04 . 1 . . . A 201 GLU HA . 25859 1 1059 . 1 1 102 102 GLU HB2 H 1 1.650 0.04 . 2 . . . A 201 GLU HB2 . 25859 1 1060 . 1 1 102 102 GLU HB3 H 1 1.770 0.04 . 2 . . . A 201 GLU HB3 . 25859 1 1061 . 1 1 102 102 GLU HG3 H 1 1.940 0.04 . 2 . . . A 201 GLU HG3 . 25859 1 1062 . 1 1 102 102 GLU C C 13 175.100 0.30 . 1 . . . A 201 GLU C . 25859 1 1063 . 1 1 102 102 GLU CA C 13 54.020 0.30 . 1 . . . A 201 GLU CA . 25859 1 1064 . 1 1 102 102 GLU CB C 13 27.100 0.30 . 1 . . . A 201 GLU CB . 25859 1 1065 . 1 1 102 102 GLU CG C 13 35.700 0.30 . 1 . . . A 201 GLU CG . 25859 1 1066 . 1 1 102 102 GLU N N 15 116.700 0.40 . 1 . . . A 201 GLU N . 25859 1 1067 . 1 1 103 103 PHE H H 1 8.440 0.04 . 1 . . . A 202 PHE H . 25859 1 1068 . 1 1 103 103 PHE HA H 1 4.930 0.04 . 1 . . . A 202 PHE HA . 25859 1 1069 . 1 1 103 103 PHE HB2 H 1 2.700 0.04 . 2 . . . A 202 PHE HB2 . 25859 1 1070 . 1 1 103 103 PHE HB3 H 1 2.860 0.04 . 2 . . . A 202 PHE HB3 . 25859 1 1071 . 1 1 103 103 PHE HD1 H 1 7.080 0.04 . 1 . . . A 202 PHE HD1 . 25859 1 1072 . 1 1 103 103 PHE HE1 H 1 7.310 0.04 . 1 . . . A 202 PHE HE1 . 25859 1 1073 . 1 1 103 103 PHE HZ H 1 6.900 0.04 . 1 . . . A 202 PHE HZ . 25859 1 1074 . 1 1 103 103 PHE C C 13 172.800 0.30 . 1 . . . A 202 PHE C . 25859 1 1075 . 1 1 103 103 PHE CA C 13 55.620 0.30 . 1 . . . A 202 PHE CA . 25859 1 1076 . 1 1 103 103 PHE CB C 13 38.900 0.30 . 1 . . . A 202 PHE CB . 25859 1 1077 . 1 1 103 103 PHE CD1 C 13 129.300 0.30 . 1 . . . A 202 PHE CD1 . 25859 1 1078 . 1 1 103 103 PHE CE1 C 13 128.000 0.30 . 1 . . . A 202 PHE CE1 . 25859 1 1079 . 1 1 103 103 PHE CZ C 13 127.500 0.30 . 1 . . . A 202 PHE CZ . 25859 1 1080 . 1 1 103 103 PHE N N 15 126.330 0.40 . 1 . . . A 202 PHE N . 25859 1 1081 . 1 1 104 104 TRP H H 1 9.240 0.04 . 1 . . . A 203 TRP H . 25859 1 1082 . 1 1 104 104 TRP HA H 1 5.000 0.04 . 1 . . . A 203 TRP HA . 25859 1 1083 . 1 1 104 104 TRP HB2 H 1 2.570 0.04 . 2 . . . A 203 TRP HB2 . 25859 1 1084 . 1 1 104 104 TRP HB3 H 1 3.220 0.04 . 2 . . . A 203 TRP HB3 . 25859 1 1085 . 1 1 104 104 TRP HD1 H 1 7.380 0.04 . 1 . . . A 203 TRP HD1 . 25859 1 1086 . 1 1 104 104 TRP HE1 H 1 10.200 0.04 . 1 . . . A 203 TRP HE1 . 25859 1 1087 . 1 1 104 104 TRP HE3 H 1 7.350 0.04 . 1 . . . A 203 TRP HE3 . 25859 1 1088 . 1 1 104 104 TRP HZ2 H 1 7.130 0.04 . 1 . . . A 203 TRP HZ2 . 25859 1 1089 . 1 1 104 104 TRP HZ3 H 1 7.230 0.04 . 1 . . . A 203 TRP HZ3 . 25859 1 1090 . 1 1 104 104 TRP HH2 H 1 7.500 0.04 . 1 . . . A 203 TRP HH2 . 25859 1 1091 . 1 1 104 104 TRP C C 13 176.800 0.30 . 1 . . . A 203 TRP C . 25859 1 1092 . 1 1 104 104 TRP CA C 13 56.690 0.30 . 1 . . . A 203 TRP CA . 25859 1 1093 . 1 1 104 104 TRP CB C 13 31.000 0.30 . 1 . . . A 203 TRP CB . 25859 1 1094 . 1 1 104 104 TRP CD1 C 13 126.100 0.30 . 1 . . . A 203 TRP CD1 . 25859 1 1095 . 1 1 104 104 TRP CE3 C 13 116.000 0.30 . 1 . . . A 203 TRP CE3 . 25859 1 1096 . 1 1 104 104 TRP CZ2 C 13 112.000 0.30 . 1 . . . A 203 TRP CZ2 . 25859 1 1097 . 1 1 104 104 TRP CZ3 C 13 125.000 0.30 . 1 . . . A 203 TRP CZ3 . 25859 1 1098 . 1 1 104 104 TRP CH2 C 13 122.500 0.30 . 1 . . . A 203 TRP CH2 . 25859 1 1099 . 1 1 104 104 TRP N N 15 131.500 0.40 . 1 . . . A 203 TRP N . 25859 1 1100 . 1 1 104 104 TRP NE1 N 15 127.200 0.40 . 1 . . . A 203 TRP NE1 . 25859 1 1101 . 1 1 105 105 THR H H 1 8.300 0.04 . 1 . . . A 204 THR H . 25859 1 1102 . 1 1 105 105 THR HA H 1 4.400 0.04 . 1 . . . A 204 THR HA . 25859 1 1103 . 1 1 105 105 THR HB H 1 4.150 0.04 . 1 . . . A 204 THR HB . 25859 1 1104 . 1 1 105 105 THR HG21 H 1 1.110 0.04 . 1 . . . A 204 THR HG21 . 25859 1 1105 . 1 1 105 105 THR HG22 H 1 1.110 0.04 . 1 . . . A 204 THR HG22 . 25859 1 1106 . 1 1 105 105 THR HG23 H 1 1.110 0.04 . 1 . . . A 204 THR HG23 . 25859 1 1107 . 1 1 105 105 THR C C 13 176.100 0.30 . 1 . . . A 204 THR C . 25859 1 1108 . 1 1 105 105 THR CA C 13 59.990 0.30 . 1 . . . A 204 THR CA . 25859 1 1109 . 1 1 105 105 THR CB C 13 70.680 0.30 . 1 . . . A 204 THR CB . 25859 1 1110 . 1 1 105 105 THR CG2 C 13 20.800 0.30 . 1 . . . A 204 THR CG2 . 25859 1 1111 . 1 1 105 105 THR N N 15 109.610 0.40 . 1 . . . A 204 THR N . 25859 1 1112 . 1 1 106 106 THR H H 1 8.330 0.04 . 1 . . . A 205 THR H . 25859 1 1113 . 1 1 106 106 THR HA H 1 4.600 0.04 . 1 . . . A 205 THR HA . 25859 1 1114 . 1 1 106 106 THR HB H 1 4.380 0.04 . 1 . . . A 205 THR HB . 25859 1 1115 . 1 1 106 106 THR HG21 H 1 1.340 0.04 . 1 . . . A 205 THR HG21 . 25859 1 1116 . 1 1 106 106 THR HG22 H 1 1.340 0.04 . 1 . . . A 205 THR HG22 . 25859 1 1117 . 1 1 106 106 THR HG23 H 1 1.340 0.04 . 1 . . . A 205 THR HG23 . 25859 1 1118 . 1 1 106 106 THR C C 13 175.600 0.30 . 1 . . . A 205 THR C . 25859 1 1119 . 1 1 106 106 THR CA C 13 62.400 0.30 . 1 . . . A 205 THR CA . 25859 1 1120 . 1 1 106 106 THR CB C 13 69.400 0.30 . 1 . . . A 205 THR CB . 25859 1 1121 . 1 1 106 106 THR CG2 C 13 22.500 0.30 . 1 . . . A 205 THR CG2 . 25859 1 1122 . 1 1 106 106 THR N N 15 109.830 0.40 . 1 . . . A 205 THR N . 25859 1 1123 . 1 1 107 107 HIS H H 1 8.000 0.04 . 1 . . . A 206 HIS H . 25859 1 1124 . 1 1 107 107 HIS HA H 1 4.320 0.04 . 1 . . . A 206 HIS HA . 25859 1 1125 . 1 1 107 107 HIS HB2 H 1 3.110 0.04 . 2 . . . A 206 HIS HB2 . 25859 1 1126 . 1 1 107 107 HIS HB3 H 1 3.470 0.04 . 2 . . . A 206 HIS HB3 . 25859 1 1127 . 1 1 107 107 HIS HD2 H 1 7.170 0.04 . 1 . . . A 206 HIS HD2 . 25859 1 1128 . 1 1 107 107 HIS HE1 H 1 7.820 0.04 . 1 . . . A 206 HIS HE1 . 25859 1 1129 . 1 1 107 107 HIS C C 13 174.200 0.30 . 1 . . . A 206 HIS C . 25859 1 1130 . 1 1 107 107 HIS CA C 13 55.530 0.30 . 1 . . . A 206 HIS CA . 25859 1 1131 . 1 1 107 107 HIS CB C 13 31.600 0.30 . 1 . . . A 206 HIS CB . 25859 1 1132 . 1 1 107 107 HIS CD2 C 13 117.800 0.30 . 1 . . . A 206 HIS CD2 . 25859 1 1133 . 1 1 107 107 HIS CE1 C 13 137.300 0.30 . 1 . . . A 206 HIS CE1 . 25859 1 1134 . 1 1 107 107 HIS N N 15 122.640 0.40 . 1 . . . A 206 HIS N . 25859 1 1135 . 1 1 108 108 SER H H 1 7.990 0.04 . 1 . . . A 207 SER H . 25859 1 1136 . 1 1 108 108 SER HA H 1 4.170 0.04 . 1 . . . A 207 SER HA . 25859 1 1137 . 1 1 108 108 SER HB2 H 1 3.42 0.04 . 2 . . . A 207 SER HB2 . 25859 1 1138 . 1 1 108 108 SER HB3 H 1 3.50 0.04 . 2 . . . A 207 SER HB3 . 25859 1 1139 . 1 1 108 108 SER C C 13 176.000 0.30 . 1 . . . A 207 SER C . 25859 1 1140 . 1 1 108 108 SER CA C 13 58.800 0.30 . 1 . . . A 207 SER CA . 25859 1 1141 . 1 1 108 108 SER CB C 13 64.600 0.30 . 1 . . . A 207 SER CB . 25859 1 1142 . 1 1 108 108 SER N N 15 114.390 0.40 . 1 . . . A 207 SER N . 25859 1 1143 . 1 1 109 109 GLY H H 1 9.020 0.04 . 1 . . . A 208 GLY H . 25859 1 1144 . 1 1 109 109 GLY HA2 H 1 3.740 0.04 . 2 . . . A 208 GLY HA2 . 25859 1 1145 . 1 1 109 109 GLY HA3 H 1 3.960 0.04 . 2 . . . A 208 GLY HA3 . 25859 1 1146 . 1 1 109 109 GLY CA C 13 45.300 0.30 . 1 . . . A 208 GLY CA . 25859 1 1147 . 1 1 109 109 GLY N N 15 112.330 0.40 . 1 . . . A 208 GLY N . 25859 1 1148 . 1 1 110 110 GLY H H 1 8.000 0.04 . 1 . . . A 209 GLY H . 25859 1 1149 . 1 1 110 110 GLY HA2 H 1 4.150 0.04 . 2 . . . A 209 GLY HA2 . 25859 1 1150 . 1 1 110 110 GLY HA3 H 1 3.840 0.04 . 2 . . . A 209 GLY HA3 . 25859 1 1151 . 1 1 110 110 GLY C C 13 174.000 0.30 . 1 . . . A 209 GLY C . 25859 1 1152 . 1 1 110 110 GLY CA C 13 46.400 0.30 . 1 . . . A 209 GLY CA . 25859 1 1153 . 1 1 110 110 GLY N N 15 108.040 0.40 . 1 . . . A 209 GLY N . 25859 1 1154 . 1 1 111 111 THR H H 1 9.170 0.04 . 1 . . . A 210 THR H . 25859 1 1155 . 1 1 111 111 THR HA H 1 4.000 0.04 . 1 . . . A 210 THR HA . 25859 1 1156 . 1 1 111 111 THR HB H 1 3.790 0.04 . 1 . . . A 210 THR HB . 25859 1 1157 . 1 1 111 111 THR HG21 H 1 0.560 0.04 . 1 . . . A 210 THR HG21 . 25859 1 1158 . 1 1 111 111 THR HG22 H 1 0.560 0.04 . 1 . . . A 210 THR HG22 . 25859 1 1159 . 1 1 111 111 THR HG23 H 1 0.560 0.04 . 1 . . . A 210 THR HG23 . 25859 1 1160 . 1 1 111 111 THR C C 13 172.700 0.30 . 1 . . . A 210 THR C . 25859 1 1161 . 1 1 111 111 THR CA C 13 62.690 0.30 . 1 . . . A 210 THR CA . 25859 1 1162 . 1 1 111 111 THR CB C 13 69.420 0.30 . 1 . . . A 210 THR CB . 25859 1 1163 . 1 1 111 111 THR CG2 C 13 21.000 0.30 . 1 . . . A 210 THR CG2 . 25859 1 1164 . 1 1 111 111 THR N N 15 124.630 0.40 . 1 . . . A 210 THR N . 25859 1 1165 . 1 1 112 112 ASN H H 1 8.410 0.04 . 1 . . . A 211 ASN H . 25859 1 1166 . 1 1 112 112 ASN HA H 1 4.774 0.04 . 1 . . . A 211 ASN HA . 25859 1 1167 . 1 1 112 112 ASN HB2 H 1 3.170 0.04 . 2 . . . A 211 ASN HB2 . 25859 1 1168 . 1 1 112 112 ASN HB3 H 1 3.100 0.04 . 2 . . . A 211 ASN HB3 . 25859 1 1169 . 1 1 112 112 ASN HD21 H 1 7.990 0.04 . 2 . . . A 211 ASN HD21 . 25859 1 1170 . 1 1 112 112 ASN HD22 H 1 6.370 0.04 . 2 . . . A 211 ASN HD22 . 25859 1 1171 . 1 1 112 112 ASN C C 13 176.700 0.30 . 1 . . . A 211 ASN C . 25859 1 1172 . 1 1 112 112 ASN CA C 13 55.880 0.30 . 1 . . . A 211 ASN CA . 25859 1 1173 . 1 1 112 112 ASN CB C 13 41.860 0.30 . 1 . . . A 211 ASN CB . 25859 1 1174 . 1 1 112 112 ASN N N 15 125.650 0.40 . 1 . . . A 211 ASN N . 25859 1 1175 . 1 1 112 112 ASN ND2 N 15 110.800 0.40 . 1 . . . A 211 ASN ND2 . 25859 1 1176 . 1 1 113 113 LEU H H 1 8.700 0.04 . 1 . . . A 212 LEU H . 25859 1 1177 . 1 1 113 113 LEU HA H 1 4.400 0.04 . 1 . . . A 212 LEU HA . 25859 1 1178 . 1 1 113 113 LEU HB2 H 1 1.590 0.04 . 2 . . . A 212 LEU HB2 . 25859 1 1179 . 1 1 113 113 LEU HB3 H 1 1.860 0.04 . 2 . . . A 212 LEU HB3 . 25859 1 1180 . 1 1 113 113 LEU HG H 1 1.490 0.04 . 1 . . . A 212 LEU HG . 25859 1 1181 . 1 1 113 113 LEU HD11 H 1 0.800 0.04 . 2 . . . A 212 LEU HD11 . 25859 1 1182 . 1 1 113 113 LEU HD12 H 1 0.800 0.04 . 2 . . . A 212 LEU HD12 . 25859 1 1183 . 1 1 113 113 LEU HD13 H 1 0.800 0.04 . 2 . . . A 212 LEU HD13 . 25859 1 1184 . 1 1 113 113 LEU HD21 H 1 1.070 0.04 . 2 . . . A 212 LEU HD21 . 25859 1 1185 . 1 1 113 113 LEU HD22 H 1 1.070 0.04 . 2 . . . A 212 LEU HD22 . 25859 1 1186 . 1 1 113 113 LEU HD23 H 1 1.070 0.04 . 2 . . . A 212 LEU HD23 . 25859 1 1187 . 1 1 113 113 LEU C C 13 176.500 0.30 . 1 . . . A 212 LEU C . 25859 1 1188 . 1 1 113 113 LEU CA C 13 58.840 0.30 . 1 . . . A 212 LEU CA . 25859 1 1189 . 1 1 113 113 LEU CB C 13 41.120 0.30 . 1 . . . A 212 LEU CB . 25859 1 1190 . 1 1 113 113 LEU CG C 13 27.900 0.30 . 1 . . . A 212 LEU CG . 25859 1 1191 . 1 1 113 113 LEU CD1 C 13 17.600 0.30 . 1 . . . A 212 LEU CD1 . 25859 1 1192 . 1 1 113 113 LEU CD2 C 13 18.100 0.30 . 1 . . . A 212 LEU CD2 . 25859 1 1193 . 1 1 113 113 LEU N N 15 132.060 0.40 . 1 . . . A 212 LEU N . 25859 1 1194 . 1 1 114 114 PHE H H 1 9.370 0.04 . 1 . . . A 213 PHE H . 25859 1 1195 . 1 1 114 114 PHE HA H 1 3.940 0.04 . 1 . . . A 213 PHE HA . 25859 1 1196 . 1 1 114 114 PHE HB2 H 1 3.430 0.04 . 2 . . . A 213 PHE HB2 . 25859 1 1197 . 1 1 114 114 PHE HB3 H 1 3.180 0.04 . 2 . . . A 213 PHE HB3 . 25859 1 1198 . 1 1 114 114 PHE HD2 H 1 7.200 0.04 . 1 . . . A 213 PHE HD2 . 25859 1 1199 . 1 1 114 114 PHE HE2 H 1 6.870 0.04 . 1 . . . A 213 PHE HE2 . 25859 1 1200 . 1 1 114 114 PHE HZ H 1 6.500 0.04 . 1 . . . A 213 PHE HZ . 25859 1 1201 . 1 1 114 114 PHE C C 13 175.900 0.30 . 1 . . . A 213 PHE C . 25859 1 1202 . 1 1 114 114 PHE CA C 13 61.710 0.30 . 1 . . . A 213 PHE CA . 25859 1 1203 . 1 1 114 114 PHE CB C 13 37.900 0.30 . 1 . . . A 213 PHE CB . 25859 1 1204 . 1 1 114 114 PHE CD2 C 13 130.200 0.30 . 1 . . . A 213 PHE CD2 . 25859 1 1205 . 1 1 114 114 PHE CE2 C 13 129.300 0.30 . 1 . . . A 213 PHE CE2 . 25859 1 1206 . 1 1 114 114 PHE CZ C 13 128.900 0.30 . 1 . . . A 213 PHE CZ . 25859 1 1207 . 1 1 114 114 PHE N N 15 120.810 0.40 . 1 . . . A 213 PHE N . 25859 1 1208 . 1 1 115 115 LEU H H 1 9.090 0.04 . 1 . . . A 214 LEU H . 25859 1 1209 . 1 1 115 115 LEU HA H 1 4.360 0.04 . 1 . . . A 214 LEU HA . 25859 1 1210 . 1 1 115 115 LEU HB2 H 1 1.520 0.04 . 2 . . . A 214 LEU HB2 . 25859 1 1211 . 1 1 115 115 LEU HB3 H 1 1.820 0.04 . 2 . . . A 214 LEU HB3 . 25859 1 1212 . 1 1 115 115 LEU HG H 1 1.080 0.04 . 1 . . . A 214 LEU HG . 25859 1 1213 . 1 1 115 115 LEU HD11 H 1 0.450 0.04 . 2 . . . A 214 LEU HD11 . 25859 1 1214 . 1 1 115 115 LEU HD12 H 1 0.450 0.04 . 2 . . . A 214 LEU HD12 . 25859 1 1215 . 1 1 115 115 LEU HD13 H 1 0.450 0.04 . 2 . . . A 214 LEU HD13 . 25859 1 1216 . 1 1 115 115 LEU HD21 H 1 0.810 0.04 . 2 . . . A 214 LEU HD21 . 25859 1 1217 . 1 1 115 115 LEU HD22 H 1 0.810 0.04 . 2 . . . A 214 LEU HD22 . 25859 1 1218 . 1 1 115 115 LEU HD23 H 1 0.810 0.04 . 2 . . . A 214 LEU HD23 . 25859 1 1219 . 1 1 115 115 LEU C C 13 180.400 0.30 . 1 . . . A 214 LEU C . 25859 1 1220 . 1 1 115 115 LEU CA C 13 57.900 0.30 . 1 . . . A 214 LEU CA . 25859 1 1221 . 1 1 115 115 LEU CB C 13 43.010 0.30 . 1 . . . A 214 LEU CB . 25859 1 1222 . 1 1 115 115 LEU CG C 13 33.000 0.30 . 1 . . . A 214 LEU CG . 25859 1 1223 . 1 1 115 115 LEU CD1 C 13 26.500 0.30 . 1 . . . A 214 LEU CD1 . 25859 1 1224 . 1 1 115 115 LEU CD2 C 13 19.600 0.30 . 1 . . . A 214 LEU CD2 . 25859 1 1225 . 1 1 115 115 LEU N N 15 118.040 0.40 . 1 . . . A 214 LEU N . 25859 1 1226 . 1 1 116 116 THR H H 1 7.660 0.04 . 1 . . . A 215 THR H . 25859 1 1227 . 1 1 116 116 THR HA H 1 4.400 0.04 . 1 . . . A 215 THR HA . 25859 1 1228 . 1 1 116 116 THR HB H 1 4.080 0.04 . 1 . . . A 215 THR HB . 25859 1 1229 . 1 1 116 116 THR HG21 H 1 1.490 0.04 . 1 . . . A 215 THR HG21 . 25859 1 1230 . 1 1 116 116 THR HG22 H 1 1.490 0.04 . 1 . . . A 215 THR HG22 . 25859 1 1231 . 1 1 116 116 THR HG23 H 1 1.490 0.04 . 1 . . . A 215 THR HG23 . 25859 1 1232 . 1 1 116 116 THR C C 13 176.600 0.30 . 1 . . . A 215 THR C . 25859 1 1233 . 1 1 116 116 THR CA C 13 67.030 0.30 . 1 . . . A 215 THR CA . 25859 1 1234 . 1 1 116 116 THR CB C 13 68.200 0.30 . 1 . . . A 215 THR CB . 25859 1 1235 . 1 1 116 116 THR CG2 C 13 21.500 0.30 . 1 . . . A 215 THR CG2 . 25859 1 1236 . 1 1 116 116 THR N N 15 115.530 0.40 . 1 . . . A 215 THR N . 25859 1 1237 . 1 1 117 117 ALA H H 1 9.440 0.04 . 1 . . . A 216 ALA H . 25859 1 1238 . 1 1 117 117 ALA HA H 1 4.040 0.04 . 1 . . . A 216 ALA HA . 25859 1 1239 . 1 1 117 117 ALA HB1 H 1 1.080 0.04 . 1 . . . A 216 ALA HB1 . 25859 1 1240 . 1 1 117 117 ALA HB2 H 1 1.080 0.04 . 1 . . . A 216 ALA HB2 . 25859 1 1241 . 1 1 117 117 ALA HB3 H 1 1.080 0.04 . 1 . . . A 216 ALA HB3 . 25859 1 1242 . 1 1 117 117 ALA C C 13 178.400 0.30 . 1 . . . A 216 ALA C . 25859 1 1243 . 1 1 117 117 ALA CA C 13 55.580 0.30 . 1 . . . A 216 ALA CA . 25859 1 1244 . 1 1 117 117 ALA CB C 13 17.300 0.30 . 1 . . . A 216 ALA CB . 25859 1 1245 . 1 1 117 117 ALA N N 15 125.450 0.40 . 1 . . . A 216 ALA N . 25859 1 1246 . 1 1 118 118 VAL H H 1 8.560 0.04 . 1 . . . A 217 VAL H . 25859 1 1247 . 1 1 118 118 VAL HA H 1 4.580 0.04 . 1 . . . A 217 VAL HA . 25859 1 1248 . 1 1 118 118 VAL HB H 1 1.560 0.04 . 1 . . . A 217 VAL HB . 25859 1 1249 . 1 1 118 118 VAL HG11 H 1 0.980 0.04 . 2 . . . A 217 VAL HG11 . 25859 1 1250 . 1 1 118 118 VAL HG12 H 1 0.980 0.04 . 2 . . . A 217 VAL HG12 . 25859 1 1251 . 1 1 118 118 VAL HG13 H 1 0.980 0.04 . 2 . . . A 217 VAL HG13 . 25859 1 1252 . 1 1 118 118 VAL HG21 H 1 1.110 0.04 . 2 . . . A 217 VAL HG21 . 25859 1 1253 . 1 1 118 118 VAL HG22 H 1 1.110 0.04 . 2 . . . A 217 VAL HG22 . 25859 1 1254 . 1 1 118 118 VAL HG23 H 1 1.110 0.04 . 2 . . . A 217 VAL HG23 . 25859 1 1255 . 1 1 118 118 VAL CA C 13 68.030 0.30 . 1 . . . A 217 VAL CA . 25859 1 1256 . 1 1 118 118 VAL CB C 13 31.200 0.30 . 1 . . . A 217 VAL CB . 25859 1 1257 . 1 1 118 118 VAL CG1 C 13 23.100 0.30 . 1 . . . A 217 VAL CG1 . 25859 1 1258 . 1 1 118 118 VAL CG2 C 13 23.600 0.30 . 1 . . . A 217 VAL CG2 . 25859 1 1259 . 1 1 118 118 VAL N N 15 118.600 0.40 . 1 . . . A 217 VAL N . 25859 1 1260 . 1 1 119 119 HIS H H 1 6.880 0.04 . 1 . . . A 218 HIS H . 25859 1 1261 . 1 1 119 119 HIS HA H 1 4.280 0.04 . 1 . . . A 218 HIS HA . 25859 1 1262 . 1 1 119 119 HIS HB2 H 1 3.390 0.04 . 2 . . . A 218 HIS HB2 . 25859 1 1263 . 1 1 119 119 HIS HB3 H 1 3.070 0.04 . 2 . . . A 218 HIS HB3 . 25859 1 1264 . 1 1 119 119 HIS HD2 H 1 7.060 0.04 . 1 . . . A 218 HIS HD2 . 25859 1 1265 . 1 1 119 119 HIS HE1 H 1 7.770 0.04 . 1 . . . A 218 HIS HE1 . 25859 1 1266 . 1 1 119 119 HIS C C 13 175.900 0.30 . 1 . . . A 218 HIS C . 25859 1 1267 . 1 1 119 119 HIS CA C 13 58.560 0.30 . 1 . . . A 218 HIS CA . 25859 1 1268 . 1 1 119 119 HIS CB C 13 31.000 0.30 . 1 . . . A 218 HIS CB . 25859 1 1269 . 1 1 119 119 HIS CD2 C 13 118.100 0.30 . 1 . . . A 218 HIS CD2 . 25859 1 1270 . 1 1 119 119 HIS CE1 C 13 135.700 0.30 . 1 . . . A 218 HIS CE1 . 25859 1 1271 . 1 1 119 119 HIS N N 15 116.930 0.40 . 1 . . . A 218 HIS N . 25859 1 1272 . 1 1 121 121 ILE H H 1 8.920 0.04 . 1 . . . A 220 ILE H . 25859 1 1273 . 1 1 121 121 ILE HA H 1 3.550 0.04 . 1 . . . A 220 ILE HA . 25859 1 1274 . 1 1 121 121 ILE HB H 1 2.350 0.04 . 1 . . . A 220 ILE HB . 25859 1 1275 . 1 1 121 121 ILE HG12 H 1 1.450 0.04 . 2 . . . A 220 ILE HG12 . 25859 1 1276 . 1 1 121 121 ILE HG13 H 1 1.120 0.04 . 2 . . . A 220 ILE HG13 . 25859 1 1277 . 1 1 121 121 ILE HD11 H 1 1.040 0.04 . 1 . . . A 220 ILE HD11 . 25859 1 1278 . 1 1 121 121 ILE HD12 H 1 1.040 0.04 . 1 . . . A 220 ILE HD12 . 25859 1 1279 . 1 1 121 121 ILE HD13 H 1 1.040 0.04 . 1 . . . A 220 ILE HD13 . 25859 1 1280 . 1 1 121 121 ILE C C 13 177.200 0.30 . 1 . . . A 220 ILE C . 25859 1 1281 . 1 1 121 121 ILE CA C 13 63.440 0.30 . 1 . . . A 220 ILE CA . 25859 1 1282 . 1 1 121 121 ILE CB C 13 37.800 0.30 . 1 . . . A 220 ILE CB . 25859 1 1283 . 1 1 121 121 ILE CG1 C 13 27.100 0.30 . 1 . . . A 220 ILE CG1 . 25859 1 1284 . 1 1 121 121 ILE CG2 C 13 17.600 0.30 . 1 . . . A 220 ILE CG2 . 25859 1 1285 . 1 1 121 121 ILE CD1 C 13 13.900 0.30 . 1 . . . A 220 ILE CD1 . 25859 1 1286 . 1 1 121 121 ILE N N 15 115.890 0.40 . 1 . . . A 220 ILE N . 25859 1 1287 . 1 1 122 122 GLY H H 1 7.490 0.04 . 1 . . . A 221 GLY H . 25859 1 1288 . 1 1 122 122 GLY HA2 H 1 3.690 0.04 . 2 . . . A 221 GLY HA2 . 25859 1 1289 . 1 1 122 122 GLY HA3 H 1 3.600 0.04 . 2 . . . A 221 GLY HA3 . 25859 1 1290 . 1 1 122 122 GLY CA C 13 47.950 0.30 . 1 . . . A 221 GLY CA . 25859 1 1291 . 1 1 122 122 GLY N N 15 108.560 0.40 . 1 . . . A 221 GLY N . 25859 1 1292 . 1 1 123 123 HIS H H 1 6.990 0.04 . 1 . . . A 222 HIS H . 25859 1 1293 . 1 1 123 123 HIS HA H 1 4.280 0.04 . 1 . . . A 222 HIS HA . 25859 1 1294 . 1 1 123 123 HIS HB2 H 1 3.880 0.04 . 1 . . . A 222 HIS HB2 . 25859 1 1295 . 1 1 123 123 HIS HB3 H 1 3.880 0.04 . 1 . . . A 222 HIS HB3 . 25859 1 1296 . 1 1 123 123 HIS HD2 H 1 7.400 0.04 . 1 . . . A 222 HIS HD2 . 25859 1 1297 . 1 1 123 123 HIS HE1 H 1 7.770 0.04 . 1 . . . A 222 HIS HE1 . 25859 1 1298 . 1 1 123 123 HIS CA C 13 56.410 0.30 . 1 . . . A 222 HIS CA . 25859 1 1299 . 1 1 123 123 HIS CB C 13 30.400 0.30 . 1 . . . A 222 HIS CB . 25859 1 1300 . 1 1 123 123 HIS CD2 C 13 125.000 0.30 . 1 . . . A 222 HIS CD2 . 25859 1 1301 . 1 1 123 123 HIS CE1 C 13 134.700 0.30 . 1 . . . A 222 HIS CE1 . 25859 1 1302 . 1 1 123 123 HIS N N 15 118.500 0.40 . 1 . . . A 222 HIS N . 25859 1 1303 . 1 1 124 124 SER H H 1 8.460 0.04 . 1 . . . A 223 SER H . 25859 1 1304 . 1 1 124 124 SER HA H 1 4.310 0.04 . 1 . . . A 223 SER HA . 25859 1 1305 . 1 1 124 124 SER HB3 H 1 4.050 0.04 . 2 . . . A 223 SER HB3 . 25859 1 1306 . 1 1 124 124 SER C C 13 175.800 0.30 . 1 . . . A 223 SER C . 25859 1 1307 . 1 1 124 124 SER CA C 13 56.330 0.30 . 1 . . . A 223 SER CA . 25859 1 1308 . 1 1 124 124 SER CB C 13 62.360 0.30 . 1 . . . A 223 SER CB . 25859 1 1309 . 1 1 124 124 SER N N 15 122.000 0.40 . 1 . . . A 223 SER N . 25859 1 1310 . 1 1 125 125 LEU H H 1 7.800 0.04 . 1 . . . A 224 LEU H . 25859 1 1311 . 1 1 125 125 LEU HA H 1 4.530 0.04 . 1 . . . A 224 LEU HA . 25859 1 1312 . 1 1 125 125 LEU HB3 H 1 2.800 0.04 . 2 . . . A 224 LEU HB3 . 25859 1 1313 . 1 1 125 125 LEU HG H 1 2.660 0.04 . 1 . . . A 224 LEU HG . 25859 1 1314 . 1 1 125 125 LEU HD21 H 1 1.390 0.04 . 2 . . . A 224 LEU HD21 . 25859 1 1315 . 1 1 125 125 LEU HD22 H 1 1.390 0.04 . 2 . . . A 224 LEU HD22 . 25859 1 1316 . 1 1 125 125 LEU HD23 H 1 1.390 0.04 . 2 . . . A 224 LEU HD23 . 25859 1 1317 . 1 1 125 125 LEU CA C 13 52.900 0.30 . 1 . . . A 224 LEU CA . 25859 1 1318 . 1 1 125 125 LEU CB C 13 41.000 0.30 . 1 . . . A 224 LEU CB . 25859 1 1319 . 1 1 125 125 LEU CG C 13 32.300 0.30 . 1 . . . A 224 LEU CG . 25859 1 1320 . 1 1 125 125 LEU CD1 C 13 23.000 0.30 . 1 . . . A 224 LEU CD1 . 25859 1 1321 . 1 1 125 125 LEU CD2 C 13 19.000 0.30 . 1 . . . A 224 LEU CD2 . 25859 1 1322 . 1 1 125 125 LEU N N 15 114.580 0.40 . 1 . . . A 224 LEU N . 25859 1 1323 . 1 1 126 126 GLY H H 1 7.890 0.04 . 1 . . . A 225 GLY H . 25859 1 1324 . 1 1 126 126 GLY HA2 H 1 4.240 0.04 . 2 . . . A 225 GLY HA2 . 25859 1 1325 . 1 1 126 126 GLY HA3 H 1 3.960 0.04 . 2 . . . A 225 GLY HA3 . 25859 1 1326 . 1 1 126 126 GLY C C 13 176.600 0.30 . 1 . . . A 225 GLY C . 25859 1 1327 . 1 1 126 126 GLY CA C 13 46.300 0.30 . 1 . . . A 225 GLY CA . 25859 1 1328 . 1 1 126 126 GLY N N 15 119.510 0.40 . 1 . . . A 225 GLY N . 25859 1 1329 . 1 1 127 127 LEU H H 1 8.130 0.04 . 1 . . . A 226 LEU H . 25859 1 1330 . 1 1 127 127 LEU HA H 1 3.960 0.04 . 1 . . . A 226 LEU HA . 25859 1 1331 . 1 1 127 127 LEU HB2 H 1 2.660 0.04 . 2 . . . A 226 LEU HB2 . 25859 1 1332 . 1 1 127 127 LEU HG H 1 1.800 0.04 . 1 . . . A 226 LEU HG . 25859 1 1333 . 1 1 127 127 LEU HD11 H 1 1.500 0.04 . 2 . . . A 226 LEU HD11 . 25859 1 1334 . 1 1 127 127 LEU HD12 H 1 1.500 0.04 . 2 . . . A 226 LEU HD12 . 25859 1 1335 . 1 1 127 127 LEU HD13 H 1 1.500 0.04 . 2 . . . A 226 LEU HD13 . 25859 1 1336 . 1 1 127 127 LEU CA C 13 54.000 0.30 . 1 . . . A 226 LEU CA . 25859 1 1337 . 1 1 127 127 LEU CB C 13 41.800 0.30 . 1 . . . A 226 LEU CB . 25859 1 1338 . 1 1 127 127 LEU CG C 13 33.000 0.30 . 1 . . . A 226 LEU CG . 25859 1 1339 . 1 1 127 127 LEU CD1 C 13 31.000 0.30 . 1 . . . A 226 LEU CD1 . 25859 1 1340 . 1 1 127 127 LEU N N 15 120.940 0.40 . 1 . . . A 226 LEU N . 25859 1 1341 . 1 1 128 128 GLY H H 1 8.830 0.04 . 1 . . . A 227 GLY H . 25859 1 1342 . 1 1 128 128 GLY HA2 H 1 3.600 0.04 . 2 . . . A 227 GLY HA2 . 25859 1 1343 . 1 1 128 128 GLY HA3 H 1 3.500 0.04 . 2 . . . A 227 GLY HA3 . 25859 1 1344 . 1 1 128 128 GLY CA C 13 43.700 0.30 . 1 . . . A 227 GLY CA . 25859 1 1345 . 1 1 128 128 GLY N N 15 110.080 0.40 . 1 . . . A 227 GLY N . 25859 1 1346 . 1 1 129 129 HIS H H 1 8.540 0.04 . 1 . . . A 228 HIS H . 25859 1 1347 . 1 1 129 129 HIS HA H 1 5.220 0.04 . 1 . . . A 228 HIS HA . 25859 1 1348 . 1 1 129 129 HIS HB2 H 1 3.210 0.04 . 2 . . . A 228 HIS HB2 . 25859 1 1349 . 1 1 129 129 HIS HB3 H 1 3.050 0.04 . 2 . . . A 228 HIS HB3 . 25859 1 1350 . 1 1 129 129 HIS HD2 H 1 6.650 0.04 . 1 . . . A 228 HIS HD2 . 25859 1 1351 . 1 1 129 129 HIS HE1 H 1 8.290 0.04 . 1 . . . A 228 HIS HE1 . 25859 1 1352 . 1 1 129 129 HIS CA C 13 56.340 0.30 . 1 . . . A 228 HIS CA . 25859 1 1353 . 1 1 129 129 HIS CB C 13 30.000 0.30 . 1 . . . A 228 HIS CB . 25859 1 1354 . 1 1 129 129 HIS CD2 C 13 122.500 0.30 . 1 . . . A 228 HIS CD2 . 25859 1 1355 . 1 1 129 129 HIS CE1 C 13 139.000 0.30 . 1 . . . A 228 HIS CE1 . 25859 1 1356 . 1 1 129 129 HIS N N 15 115.580 0.40 . 1 . . . A 228 HIS N . 25859 1 1357 . 1 1 130 130 SER H H 1 7.120 0.04 . 1 . . . A 229 SER H . 25859 1 1358 . 1 1 130 130 SER HA H 1 4.750 0.04 . 1 . . . A 229 SER HA . 25859 1 1359 . 1 1 130 130 SER HB3 H 1 4.220 0.04 . 2 . . . A 229 SER HB3 . 25859 1 1360 . 1 1 130 130 SER C C 13 175.600 0.30 . 1 . . . A 229 SER C . 25859 1 1361 . 1 1 130 130 SER CA C 13 55.580 0.30 . 1 . . . A 229 SER CA . 25859 1 1362 . 1 1 130 130 SER CB C 13 65.100 0.30 . 1 . . . A 229 SER CB . 25859 1 1363 . 1 1 130 130 SER N N 15 114.530 0.40 . 1 . . . A 229 SER N . 25859 1 1364 . 1 1 131 131 SER H H 1 8.870 0.04 . 1 . . . A 230 SER H . 25859 1 1365 . 1 1 131 131 SER HA H 1 4.760 0.04 . 1 . . . A 230 SER HA . 25859 1 1366 . 1 1 131 131 SER HB2 H 1 4.090 0.04 . 2 . . . A 230 SER HB2 . 25859 1 1367 . 1 1 131 131 SER HB3 H 1 3.980 0.04 . 2 . . . A 230 SER HB3 . 25859 1 1368 . 1 1 131 131 SER C C 13 173.500 0.30 . 1 . . . A 230 SER C . 25859 1 1369 . 1 1 131 131 SER CA C 13 58.740 0.30 . 1 . . . A 230 SER CA . 25859 1 1370 . 1 1 131 131 SER CB C 13 64.220 0.30 . 1 . . . A 230 SER CB . 25859 1 1371 . 1 1 131 131 SER N N 15 120.140 0.40 . 1 . . . A 230 SER N . 25859 1 1372 . 1 1 132 132 ASP H H 1 8.940 0.04 . 1 . . . A 231 ASP H . 25859 1 1373 . 1 1 132 132 ASP HA H 1 4.840 0.04 . 1 . . . A 231 ASP HA . 25859 1 1374 . 1 1 132 132 ASP HB2 H 1 3.040 0.04 . 2 . . . A 231 ASP HB2 . 25859 1 1375 . 1 1 132 132 ASP HB3 H 1 3.220 0.04 . 2 . . . A 231 ASP HB3 . 25859 1 1376 . 1 1 132 132 ASP C C 13 174.900 0.30 . 1 . . . A 231 ASP C . 25859 1 1377 . 1 1 132 132 ASP CA C 13 51.430 0.30 . 1 . . . A 231 ASP CA . 25859 1 1378 . 1 1 132 132 ASP CB C 13 42.500 0.30 . 1 . . . A 231 ASP CB . 25859 1 1379 . 1 1 132 132 ASP N N 15 126.560 0.40 . 1 . . . A 231 ASP N . 25859 1 1380 . 1 1 133 133 PRO HA H 1 4.850 0.04 . 1 . . . A 232 PRO HA . 25859 1 1381 . 1 1 133 133 PRO HB3 H 1 2.140 0.04 . 2 . . . A 232 PRO HB3 . 25859 1 1382 . 1 1 133 133 PRO HD2 H 1 3.800 0.04 . 2 . . . A 232 PRO HD2 . 25859 1 1383 . 1 1 133 133 PRO HD3 H 1 3.93 0.04 . 2 . . . A 232 PRO HD3 . 25859 1 1384 . 1 1 133 133 PRO C C 13 177.800 0.30 . 1 . . . A 232 PRO C . 25859 1 1385 . 1 1 133 133 PRO CA C 13 63.200 0.30 . 1 . . . A 232 PRO CA . 25859 1 1386 . 1 1 133 133 PRO CB C 13 32.000 0.30 . 1 . . . A 232 PRO CB . 25859 1 1387 . 1 1 133 133 PRO CG C 13 27.400 0.30 . 1 . . . A 232 PRO CG . 25859 1 1388 . 1 1 133 133 PRO CD C 13 50.70 0.30 . 1 . . . A 232 PRO CD . 25859 1 1389 . 1 1 134 134 LYS H H 1 8.310 0.04 . 1 . . . A 233 LYS H . 25859 1 1390 . 1 1 134 134 LYS HA H 1 4.130 0.04 . 1 . . . A 233 LYS HA . 25859 1 1391 . 1 1 134 134 LYS HB2 H 1 1.66 0.04 . 2 . . . A 233 LYS HB2 . 25859 1 1392 . 1 1 134 134 LYS HB3 H 1 1.77 0.04 . 2 . . . A 233 LYS HB3 . 25859 1 1393 . 1 1 134 134 LYS HG3 H 1 1.360 0.04 . 2 . . . A 233 LYS HG3 . 25859 1 1394 . 1 1 134 134 LYS HD3 H 1 1.500 0.04 . 2 . . . A 233 LYS HD3 . 25859 1 1395 . 1 1 134 134 LYS HE2 H 1 3.030 0.04 . 2 . . . A 233 LYS HE2 . 25859 1 1396 . 1 1 134 134 LYS C C 13 176.800 0.30 . 1 . . . A 233 LYS C . 25859 1 1397 . 1 1 134 134 LYS CA C 13 56.440 0.30 . 1 . . . A 233 LYS CA . 25859 1 1398 . 1 1 134 134 LYS CB C 13 28.700 0.30 . 1 . . . A 233 LYS CB . 25859 1 1399 . 1 1 134 134 LYS CG C 13 24.200 0.30 . 1 . . . A 233 LYS CG . 25859 1 1400 . 1 1 134 134 LYS CD C 13 31.900 0.30 . 1 . . . A 233 LYS CD . 25859 1 1401 . 1 1 134 134 LYS CE C 13 41.100 0.30 . 1 . . . A 233 LYS CE . 25859 1 1402 . 1 1 134 134 LYS N N 15 116.890 0.40 . 1 . . . A 233 LYS N . 25859 1 1403 . 1 1 135 135 ALA H H 1 8.190 0.04 . 1 . . . A 234 ALA H . 25859 1 1404 . 1 1 135 135 ALA HA H 1 4.560 0.04 . 1 . . . A 234 ALA HA . 25859 1 1405 . 1 1 135 135 ALA HB1 H 1 1.800 0.04 . 1 . . . A 234 ALA HB1 . 25859 1 1406 . 1 1 135 135 ALA HB2 H 1 1.800 0.04 . 1 . . . A 234 ALA HB2 . 25859 1 1407 . 1 1 135 135 ALA HB3 H 1 1.800 0.04 . 1 . . . A 234 ALA HB3 . 25859 1 1408 . 1 1 135 135 ALA C C 13 179.500 0.30 . 1 . . . A 234 ALA C . 25859 1 1409 . 1 1 135 135 ALA CA C 13 52.080 0.30 . 1 . . . A 234 ALA CA . 25859 1 1410 . 1 1 135 135 ALA CB C 13 20.000 0.30 . 1 . . . A 234 ALA CB . 25859 1 1411 . 1 1 135 135 ALA N N 15 123.950 0.40 . 1 . . . A 234 ALA N . 25859 1 1412 . 1 1 136 136 VAL H H 1 11.380 0.04 . 1 . . . A 235 VAL H . 25859 1 1413 . 1 1 136 136 VAL HA H 1 4.250 0.04 . 1 . . . A 235 VAL HA . 25859 1 1414 . 1 1 136 136 VAL HB H 1 2.330 0.04 . 1 . . . A 235 VAL HB . 25859 1 1415 . 1 1 136 136 VAL HG11 H 1 1.140 0.04 . 2 . . . A 235 VAL HG11 . 25859 1 1416 . 1 1 136 136 VAL HG12 H 1 1.140 0.04 . 2 . . . A 235 VAL HG12 . 25859 1 1417 . 1 1 136 136 VAL HG13 H 1 1.140 0.04 . 2 . . . A 235 VAL HG13 . 25859 1 1418 . 1 1 136 136 VAL HG21 H 1 0.960 0.04 . 2 . . . A 235 VAL HG21 . 25859 1 1419 . 1 1 136 136 VAL HG22 H 1 0.960 0.04 . 2 . . . A 235 VAL HG22 . 25859 1 1420 . 1 1 136 136 VAL HG23 H 1 0.960 0.04 . 2 . . . A 235 VAL HG23 . 25859 1 1421 . 1 1 136 136 VAL CA C 13 64.950 0.30 . 1 . . . A 235 VAL CA . 25859 1 1422 . 1 1 136 136 VAL CB C 13 31.370 0.30 . 1 . . . A 235 VAL CB . 25859 1 1423 . 1 1 136 136 VAL CG1 C 13 20.400 0.30 . 1 . . . A 235 VAL CG1 . 25859 1 1424 . 1 1 136 136 VAL CG2 C 13 23.900 0.30 . 1 . . . A 235 VAL CG2 . 25859 1 1425 . 1 1 136 136 VAL N N 15 131.320 0.40 . 1 . . . A 235 VAL N . 25859 1 1426 . 1 1 137 137 MET H H 1 7.910 0.04 . 1 . . . A 236 MET H . 25859 1 1427 . 1 1 137 137 MET HA H 1 4.220 0.04 . 1 . . . A 236 MET HA . 25859 1 1428 . 1 1 137 137 MET HB2 H 1 2.040 0.04 . 2 . . . A 236 MET HB2 . 25859 1 1429 . 1 1 137 137 MET HB3 H 1 2.180 0.04 . 2 . . . A 236 MET HB3 . 25859 1 1430 . 1 1 137 137 MET HG3 H 1 2.960 0.04 . 2 . . . A 236 MET HG3 . 25859 1 1431 . 1 1 137 137 MET HE1 H 1 1.790 0.04 . 1 . . . A 236 MET HE1 . 25859 1 1432 . 1 1 137 137 MET HE2 H 1 1.790 0.04 . 1 . . . A 236 MET HE2 . 25859 1 1433 . 1 1 137 137 MET HE3 H 1 1.790 0.04 . 1 . . . A 236 MET HE3 . 25859 1 1434 . 1 1 137 137 MET C C 13 177.700 0.30 . 1 . . . A 236 MET C . 25859 1 1435 . 1 1 137 137 MET CA C 13 53.760 0.30 . 1 . . . A 236 MET CA . 25859 1 1436 . 1 1 137 137 MET CB C 13 27.340 0.30 . 1 . . . A 236 MET CB . 25859 1 1437 . 1 1 137 137 MET CG C 13 30.500 0.30 . 1 . . . A 236 MET CG . 25859 1 1438 . 1 1 137 137 MET CE C 13 20.500 0.30 . 1 . . . A 236 MET CE . 25859 1 1439 . 1 1 137 137 MET N N 15 115.150 0.40 . 1 . . . A 236 MET N . 25859 1 1440 . 1 1 138 138 PHE H H 1 8.010 0.04 . 1 . . . A 237 PHE H . 25859 1 1441 . 1 1 138 138 PHE HA H 1 3.860 0.04 . 1 . . . A 237 PHE HA . 25859 1 1442 . 1 1 138 138 PHE HB2 H 1 3.210 0.04 . 2 . . . A 237 PHE HB2 . 25859 1 1443 . 1 1 138 138 PHE HB3 H 1 3.030 0.04 . 2 . . . A 237 PHE HB3 . 25859 1 1444 . 1 1 138 138 PHE HD1 H 1 7.300 0.04 . 1 . . . A 237 PHE HD1 . 25859 1 1445 . 1 1 138 138 PHE HE1 H 1 7.360 0.04 . 1 . . . A 237 PHE HE1 . 25859 1 1446 . 1 1 138 138 PHE HZ H 1 7.070 0.04 . 1 . . . A 237 PHE HZ . 25859 1 1447 . 1 1 138 138 PHE C C 13 176.800 0.30 . 1 . . . A 237 PHE C . 25859 1 1448 . 1 1 138 138 PHE CA C 13 57.840 0.30 . 1 . . . A 237 PHE CA . 25859 1 1449 . 1 1 138 138 PHE CB C 13 40.250 0.30 . 1 . . . A 237 PHE CB . 25859 1 1450 . 1 1 138 138 PHE CD1 C 13 129.900 0.30 . 1 . . . A 237 PHE CD1 . 25859 1 1451 . 1 1 138 138 PHE CE1 C 13 128.900 0.30 . 1 . . . A 237 PHE CE1 . 25859 1 1452 . 1 1 138 138 PHE CZ C 13 129.400 0.30 . 1 . . . A 237 PHE CZ . 25859 1 1453 . 1 1 138 138 PHE N N 15 128.350 0.40 . 1 . . . A 237 PHE N . 25859 1 1454 . 1 1 139 139 PRO HA H 1 4.330 0.04 . 1 . . . A 238 PRO HA . 25859 1 1455 . 1 1 139 139 PRO HB3 H 1 2.050 0.04 . 2 . . . A 238 PRO HB3 . 25859 1 1456 . 1 1 139 139 PRO HG2 H 1 1.560 0.04 . 2 . . . A 238 PRO HG2 . 25859 1 1457 . 1 1 139 139 PRO HG3 H 1 1.410 0.04 . 2 . . . A 238 PRO HG3 . 25859 1 1458 . 1 1 139 139 PRO HD2 H 1 3.510 0.04 . 2 . . . A 238 PRO HD2 . 25859 1 1459 . 1 1 139 139 PRO HD3 H 1 3.500 0.04 . 2 . . . A 238 PRO HD3 . 25859 1 1460 . 1 1 139 139 PRO C C 13 176.300 0.30 . 1 . . . A 238 PRO C . 25859 1 1461 . 1 1 139 139 PRO CA C 13 65.610 0.30 . 1 . . . A 238 PRO CA . 25859 1 1462 . 1 1 139 139 PRO CB C 13 29.300 0.30 . 1 . . . A 238 PRO CB . 25859 1 1463 . 1 1 139 139 PRO CG C 13 25.660 0.30 . 1 . . . A 238 PRO CG . 25859 1 1464 . 1 1 139 139 PRO CD C 13 50.400 0.30 . 1 . . . A 238 PRO CD . 25859 1 1465 . 1 1 140 140 THR H H 1 6.390 0.04 . 1 . . . A 239 THR H . 25859 1 1466 . 1 1 140 140 THR HA H 1 4.120 0.04 . 1 . . . A 239 THR HA . 25859 1 1467 . 1 1 140 140 THR HB H 1 4.060 0.04 . 1 . . . A 239 THR HB . 25859 1 1468 . 1 1 140 140 THR HG21 H 1 1.240 0.04 . 1 . . . A 239 THR HG21 . 25859 1 1469 . 1 1 140 140 THR HG22 H 1 1.240 0.04 . 1 . . . A 239 THR HG22 . 25859 1 1470 . 1 1 140 140 THR HG23 H 1 1.240 0.04 . 1 . . . A 239 THR HG23 . 25859 1 1471 . 1 1 140 140 THR C C 13 173.500 0.30 . 1 . . . A 239 THR C . 25859 1 1472 . 1 1 140 140 THR CA C 13 61.420 0.30 . 1 . . . A 239 THR CA . 25859 1 1473 . 1 1 140 140 THR CB C 13 69.700 0.30 . 1 . . . A 239 THR CB . 25859 1 1474 . 1 1 140 140 THR CG2 C 13 21.800 0.30 . 1 . . . A 239 THR CG2 . 25859 1 1475 . 1 1 140 140 THR N N 15 111.880 0.40 . 1 . . . A 239 THR N . 25859 1 1476 . 1 1 141 141 TYR H H 1 8.410 0.04 . 1 . . . A 240 TYR H . 25859 1 1477 . 1 1 141 141 TYR HA H 1 4.280 0.04 . 1 . . . A 240 TYR HA . 25859 1 1478 . 1 1 141 141 TYR HB2 H 1 3.020 0.04 . 2 . . . A 240 TYR HB2 . 25859 1 1479 . 1 1 141 141 TYR HB3 H 1 2.760 0.04 . 2 . . . A 240 TYR HB3 . 25859 1 1480 . 1 1 141 141 TYR HD2 H 1 7.200 0.04 . 1 . . . A 240 TYR HD2 . 25859 1 1481 . 1 1 141 141 TYR HE2 H 1 6.980 0.04 . 1 . . . A 240 TYR HE2 . 25859 1 1482 . 1 1 141 141 TYR C C 13 174.600 0.30 . 1 . . . A 240 TYR C . 25859 1 1483 . 1 1 141 141 TYR CA C 13 59.060 0.30 . 1 . . . A 240 TYR CA . 25859 1 1484 . 1 1 141 141 TYR CB C 13 39.420 0.30 . 1 . . . A 240 TYR CB . 25859 1 1485 . 1 1 141 141 TYR CD2 C 13 129.700 0.30 . 1 . . . A 240 TYR CD2 . 25859 1 1486 . 1 1 141 141 TYR CE2 C 13 115.900 0.30 . 1 . . . A 240 TYR CE2 . 25859 1 1487 . 1 1 141 141 TYR N N 15 127.950 0.40 . 1 . . . A 240 TYR N . 25859 1 1488 . 1 1 142 142 LYS H H 1 7.420 0.04 . 1 . . . A 241 LYS H . 25859 1 1489 . 1 1 142 142 LYS HA H 1 4.030 0.04 . 1 . . . A 241 LYS HA . 25859 1 1490 . 1 1 142 142 LYS HB2 H 1 1.630 0.04 . 2 . . . A 241 LYS HB2 . 25859 1 1491 . 1 1 142 142 LYS HE2 H 1 3.000 0.04 . 2 . . . A 241 LYS HE2 . 25859 1 1492 . 1 1 142 142 LYS C C 13 173.700 0.30 . 1 . . . A 241 LYS C . 25859 1 1493 . 1 1 142 142 LYS CA C 13 55.360 0.30 . 1 . . . A 241 LYS CA . 25859 1 1494 . 1 1 142 142 LYS CB C 13 35.010 0.30 . 1 . . . A 241 LYS CB . 25859 1 1495 . 1 1 142 142 LYS CG C 13 23.900 0.30 . 1 . . . A 241 LYS CG . 25859 1 1496 . 1 1 142 142 LYS CD C 13 29.300 0.30 . 1 . . . A 241 LYS CD . 25859 1 1497 . 1 1 142 142 LYS CE C 13 42.400 0.30 . 1 . . . A 241 LYS CE . 25859 1 1498 . 1 1 142 142 LYS N N 15 127.450 0.40 . 1 . . . A 241 LYS N . 25859 1 1499 . 1 1 143 143 TYR H H 1 8.540 0.04 . 1 . . . A 242 TYR H . 25859 1 1500 . 1 1 143 143 TYR HA H 1 3.860 0.04 . 1 . . . A 242 TYR HA . 25859 1 1501 . 1 1 143 143 TYR HB2 H 1 2.740 0.04 . 2 . . . A 242 TYR HB2 . 25859 1 1502 . 1 1 143 143 TYR HB3 H 1 3.050 0.04 . 2 . . . A 242 TYR HB3 . 25859 1 1503 . 1 1 143 143 TYR HD1 H 1 6.990 0.04 . 1 . . . A 242 TYR HD1 . 25859 1 1504 . 1 1 143 143 TYR HE1 H 1 6.740 0.04 . 1 . . . A 242 TYR HE1 . 25859 1 1505 . 1 1 143 143 TYR C C 13 175.200 0.30 . 1 . . . A 242 TYR C . 25859 1 1506 . 1 1 143 143 TYR CA C 13 60.900 0.30 . 1 . . . A 242 TYR CA . 25859 1 1507 . 1 1 143 143 TYR CB C 13 38.500 0.30 . 1 . . . A 242 TYR CB . 25859 1 1508 . 1 1 143 143 TYR CD1 C 13 131.000 0.30 . 1 . . . A 242 TYR CD1 . 25859 1 1509 . 1 1 143 143 TYR CE1 C 13 116.100 0.30 . 1 . . . A 242 TYR CE1 . 25859 1 1510 . 1 1 143 143 TYR N N 15 123.250 0.40 . 1 . . . A 242 TYR N . 25859 1 1511 . 1 1 144 144 VAL H H 1 5.870 0.04 . 1 . . . A 243 VAL H . 25859 1 1512 . 1 1 144 144 VAL HA H 1 3.880 0.04 . 1 . . . A 243 VAL HA . 25859 1 1513 . 1 1 144 144 VAL HB H 1 1.900 0.04 . 1 . . . A 243 VAL HB . 25859 1 1514 . 1 1 144 144 VAL HG11 H 1 0.820 0.04 . 2 . . . A 243 VAL HG11 . 25859 1 1515 . 1 1 144 144 VAL HG12 H 1 0.820 0.04 . 2 . . . A 243 VAL HG12 . 25859 1 1516 . 1 1 144 144 VAL HG13 H 1 0.820 0.04 . 2 . . . A 243 VAL HG13 . 25859 1 1517 . 1 1 144 144 VAL HG21 H 1 1.080 0.04 . 2 . . . A 243 VAL HG21 . 25859 1 1518 . 1 1 144 144 VAL HG22 H 1 1.080 0.04 . 2 . . . A 243 VAL HG22 . 25859 1 1519 . 1 1 144 144 VAL HG23 H 1 1.080 0.04 . 2 . . . A 243 VAL HG23 . 25859 1 1520 . 1 1 144 144 VAL C C 13 172.200 0.30 . 1 . . . A 243 VAL C . 25859 1 1521 . 1 1 144 144 VAL CA C 13 59.530 0.30 . 1 . . . A 243 VAL CA . 25859 1 1522 . 1 1 144 144 VAL CB C 13 35.400 0.30 . 1 . . . A 243 VAL CB . 25859 1 1523 . 1 1 144 144 VAL CG1 C 13 19.500 0.30 . 1 . . . A 243 VAL CG1 . 25859 1 1524 . 1 1 144 144 VAL CG2 C 13 21.400 0.30 . 1 . . . A 243 VAL CG2 . 25859 1 1525 . 1 1 144 144 VAL N N 15 124.130 0.40 . 1 . . . A 243 VAL N . 25859 1 1526 . 1 1 145 145 ASP H H 1 7.850 0.04 . 1 . . . A 244 ASP H . 25859 1 1527 . 1 1 145 145 ASP HA H 1 4.280 0.04 . 1 . . . A 244 ASP HA . 25859 1 1528 . 1 1 145 145 ASP HB2 H 1 2.740 0.04 . 2 . . . A 244 ASP HB2 . 25859 1 1529 . 1 1 145 145 ASP HB3 H 1 2.720 0.04 . 2 . . . A 244 ASP HB3 . 25859 1 1530 . 1 1 145 145 ASP C C 13 179.100 0.30 . 1 . . . A 244 ASP C . 25859 1 1531 . 1 1 145 145 ASP CA C 13 55.260 0.30 . 1 . . . A 244 ASP CA . 25859 1 1532 . 1 1 145 145 ASP CB C 13 42.100 0.30 . 1 . . . A 244 ASP CB . 25859 1 1533 . 1 1 145 145 ASP N N 15 118.510 0.40 . 1 . . . A 244 ASP N . 25859 1 1534 . 1 1 146 146 ILE H H 1 7.770 0.04 . 1 . . . A 245 ILE H . 25859 1 1535 . 1 1 146 146 ILE HA H 1 3.840 0.04 . 1 . . . A 245 ILE HA . 25859 1 1536 . 1 1 146 146 ILE HB H 1 1.960 0.04 . 1 . . . A 245 ILE HB . 25859 1 1537 . 1 1 146 146 ILE HG21 H 1 1.280 0.04 . 1 . . . A 245 ILE HG21 . 25859 1 1538 . 1 1 146 146 ILE HG22 H 1 1.280 0.04 . 1 . . . A 245 ILE HG22 . 25859 1 1539 . 1 1 146 146 ILE HG23 H 1 1.280 0.04 . 1 . . . A 245 ILE HG23 . 25859 1 1540 . 1 1 146 146 ILE HD11 H 1 0.800 0.04 . 1 . . . A 245 ILE HD11 . 25859 1 1541 . 1 1 146 146 ILE HD12 H 1 0.800 0.04 . 1 . . . A 245 ILE HD12 . 25859 1 1542 . 1 1 146 146 ILE HD13 H 1 0.800 0.04 . 1 . . . A 245 ILE HD13 . 25859 1 1543 . 1 1 146 146 ILE C C 13 177.400 0.30 . 1 . . . A 245 ILE C . 25859 1 1544 . 1 1 146 146 ILE CA C 13 64.650 0.30 . 1 . . . A 245 ILE CA . 25859 1 1545 . 1 1 146 146 ILE CB C 13 37.900 0.30 . 1 . . . A 245 ILE CB . 25859 1 1546 . 1 1 146 146 ILE CG1 C 13 27.000 0.30 . 1 . . . A 245 ILE CG1 . 25859 1 1547 . 1 1 146 146 ILE CG2 C 13 18.200 0.30 . 1 . . . A 245 ILE CG2 . 25859 1 1548 . 1 1 146 146 ILE CD1 C 13 14.000 0.30 . 1 . . . A 245 ILE CD1 . 25859 1 1549 . 1 1 146 146 ILE N N 15 124.230 0.40 . 1 . . . A 245 ILE N . 25859 1 1550 . 1 1 147 147 ASN H H 1 8.590 0.04 . 1 . . . A 246 ASN H . 25859 1 1551 . 1 1 147 147 ASN HA H 1 4.580 0.04 . 1 . . . A 246 ASN HA . 25859 1 1552 . 1 1 147 147 ASN HB2 H 1 2.840 0.04 . 2 . . . A 246 ASN HB2 . 25859 1 1553 . 1 1 147 147 ASN HB3 H 1 2.980 0.04 . 2 . . . A 246 ASN HB3 . 25859 1 1554 . 1 1 147 147 ASN HD21 H 1 7.050 0.04 . 2 . . . A 246 ASN HD21 . 25859 1 1555 . 1 1 147 147 ASN HD22 H 1 7.950 0.04 . 2 . . . A 246 ASN HD22 . 25859 1 1556 . 1 1 147 147 ASN C C 13 176.500 0.30 . 1 . . . A 246 ASN C . 25859 1 1557 . 1 1 147 147 ASN CA C 13 55.600 0.30 . 1 . . . A 246 ASN CA . 25859 1 1558 . 1 1 147 147 ASN CB C 13 38.420 0.30 . 1 . . . A 246 ASN CB . 25859 1 1559 . 1 1 147 147 ASN N N 15 118.560 0.40 . 1 . . . A 246 ASN N . 25859 1 1560 . 1 1 147 147 ASN ND2 N 15 115.000 0.40 . 1 . . . A 246 ASN ND2 . 25859 1 1561 . 1 1 148 148 THR H H 1 7.540 0.04 . 1 . . . A 247 THR H . 25859 1 1562 . 1 1 148 148 THR HA H 1 4.400 0.04 . 1 . . . A 247 THR HA . 25859 1 1563 . 1 1 148 148 THR HB H 1 3.830 0.04 . 1 . . . A 247 THR HB . 25859 1 1564 . 1 1 148 148 THR HG21 H 1 1.140 0.04 . 1 . . . A 247 THR HG21 . 25859 1 1565 . 1 1 148 148 THR HG22 H 1 1.140 0.04 . 1 . . . A 247 THR HG22 . 25859 1 1566 . 1 1 148 148 THR HG23 H 1 1.140 0.04 . 1 . . . A 247 THR HG23 . 25859 1 1567 . 1 1 148 148 THR C C 13 173.900 0.30 . 1 . . . A 247 THR C . 25859 1 1568 . 1 1 148 148 THR CA C 13 60.950 0.30 . 1 . . . A 247 THR CA . 25859 1 1569 . 1 1 148 148 THR CB C 13 69.270 0.30 . 1 . . . A 247 THR CB . 25859 1 1570 . 1 1 148 148 THR CG2 C 13 21.500 0.30 . 1 . . . A 247 THR CG2 . 25859 1 1571 . 1 1 148 148 THR N N 15 108.860 0.40 . 1 . . . A 247 THR N . 25859 1 1572 . 1 1 149 149 PHE H H 1 7.190 0.04 . 1 . . . A 248 PHE H . 25859 1 1573 . 1 1 149 149 PHE HA H 1 4.154 0.04 . 1 . . . A 248 PHE HA . 25859 1 1574 . 1 1 149 149 PHE HB2 H 1 2.850 0.04 . 2 . . . A 248 PHE HB2 . 25859 1 1575 . 1 1 149 149 PHE HB3 H 1 3.110 0.04 . 2 . . . A 248 PHE HB3 . 25859 1 1576 . 1 1 149 149 PHE HD1 H 1 7.320 0.04 . 1 . . . A 248 PHE HD1 . 25859 1 1577 . 1 1 149 149 PHE HE1 H 1 7.040 0.04 . 1 . . . A 248 PHE HE1 . 25859 1 1578 . 1 1 149 149 PHE HZ H 1 6.970 0.04 . 1 . . . A 248 PHE HZ . 25859 1 1579 . 1 1 149 149 PHE C C 13 174.600 0.30 . 1 . . . A 248 PHE C . 25859 1 1580 . 1 1 149 149 PHE CA C 13 60.000 0.30 . 1 . . . A 248 PHE CA . 25859 1 1581 . 1 1 149 149 PHE CB C 13 40.030 0.30 . 1 . . . A 248 PHE CB . 25859 1 1582 . 1 1 149 149 PHE CD1 C 13 132.000 0.30 . 1 . . . A 248 PHE CD1 . 25859 1 1583 . 1 1 149 149 PHE CE1 C 13 131.500 0.30 . 1 . . . A 248 PHE CE1 . 25859 1 1584 . 1 1 149 149 PHE CZ C 13 131.100 0.30 . 1 . . . A 248 PHE CZ . 25859 1 1585 . 1 1 149 149 PHE N N 15 123.200 0.40 . 1 . . . A 248 PHE N . 25859 1 1586 . 1 1 150 150 ARG H H 1 7.180 0.04 . 1 . . . A 249 ARG H . 25859 1 1587 . 1 1 150 150 ARG HA H 1 4.130 0.04 . 1 . . . A 249 ARG HA . 25859 1 1588 . 1 1 150 150 ARG HB2 H 1 1.660 0.04 . 2 . . . A 249 ARG HB2 . 25859 1 1589 . 1 1 150 150 ARG HG2 H 1 1.460 0.04 . 2 . . . A 249 ARG HG2 . 25859 1 1590 . 1 1 150 150 ARG HD2 H 1 3.090 0.04 . 2 . . . A 249 ARG HD2 . 25859 1 1591 . 1 1 150 150 ARG C C 13 174.600 0.30 . 1 . . . A 249 ARG C . 25859 1 1592 . 1 1 150 150 ARG CA C 13 54.340 0.30 . 1 . . . A 249 ARG CA . 25859 1 1593 . 1 1 150 150 ARG CB C 13 33.510 0.30 . 1 . . . A 249 ARG CB . 25859 1 1594 . 1 1 150 150 ARG CG C 13 26.200 0.30 . 1 . . . A 249 ARG CG . 25859 1 1595 . 1 1 150 150 ARG CD C 13 43.500 0.30 . 1 . . . A 249 ARG CD . 25859 1 1596 . 1 1 150 150 ARG N N 15 126.250 0.40 . 1 . . . A 249 ARG N . 25859 1 1597 . 1 1 151 151 LEU H H 1 8.180 0.04 . 1 . . . A 250 LEU H . 25859 1 1598 . 1 1 151 151 LEU HA H 1 3.920 0.04 . 1 . . . A 250 LEU HA . 25859 1 1599 . 1 1 151 151 LEU HB2 H 1 1.460 0.04 . 2 . . . A 250 LEU HB2 . 25859 1 1600 . 1 1 151 151 LEU HB3 H 1 1.300 0.04 . 2 . . . A 250 LEU HB3 . 25859 1 1601 . 1 1 151 151 LEU HG H 1 1.670 0.04 . 1 . . . A 250 LEU HG . 25859 1 1602 . 1 1 151 151 LEU HD11 H 1 0.330 0.04 . 2 . . . A 250 LEU HD11 . 25859 1 1603 . 1 1 151 151 LEU HD12 H 1 0.330 0.04 . 2 . . . A 250 LEU HD12 . 25859 1 1604 . 1 1 151 151 LEU HD13 H 1 0.330 0.04 . 2 . . . A 250 LEU HD13 . 25859 1 1605 . 1 1 151 151 LEU HD21 H 1 0.110 0.04 . 2 . . . A 250 LEU HD21 . 25859 1 1606 . 1 1 151 151 LEU HD22 H 1 0.110 0.04 . 2 . . . A 250 LEU HD22 . 25859 1 1607 . 1 1 151 151 LEU HD23 H 1 0.110 0.04 . 2 . . . A 250 LEU HD23 . 25859 1 1608 . 1 1 151 151 LEU C C 13 177.000 0.30 . 1 . . . A 250 LEU C . 25859 1 1609 . 1 1 151 151 LEU CA C 13 54.970 0.30 . 1 . . . A 250 LEU CA . 25859 1 1610 . 1 1 151 151 LEU CB C 13 43.100 0.30 . 1 . . . A 250 LEU CB . 25859 1 1611 . 1 1 151 151 LEU CG C 13 26.900 0.30 . 1 . . . A 250 LEU CG . 25859 1 1612 . 1 1 151 151 LEU CD1 C 13 22.500 0.30 . 1 . . . A 250 LEU CD1 . 25859 1 1613 . 1 1 151 151 LEU N N 15 120.940 0.40 . 1 . . . A 250 LEU N . 25859 1 1614 . 1 1 152 152 SER H H 1 9.000 0.04 . 1 . . . A 251 SER H . 25859 1 1615 . 1 1 152 152 SER HA H 1 4.200 0.04 . 1 . . . A 251 SER HA . 25859 1 1616 . 1 1 152 152 SER HB2 H 1 3.880 0.04 . 2 . . . A 251 SER HB2 . 25859 1 1617 . 1 1 152 152 SER C C 13 175.100 0.30 . 1 . . . A 251 SER C . 25859 1 1618 . 1 1 152 152 SER CA C 13 57.830 0.30 . 1 . . . A 251 SER CA . 25859 1 1619 . 1 1 152 152 SER CB C 13 65.800 0.30 . 1 . . . A 251 SER CB . 25859 1 1620 . 1 1 152 152 SER N N 15 118.210 0.40 . 1 . . . A 251 SER N . 25859 1 1621 . 1 1 153 153 ALA H H 1 8.860 0.04 . 1 . . . A 252 ALA H . 25859 1 1622 . 1 1 153 153 ALA HA H 1 4.540 0.04 . 1 . . . A 252 ALA HA . 25859 1 1623 . 1 1 153 153 ALA HB1 H 1 1.500 0.04 . 1 . . . A 252 ALA HB1 . 25859 1 1624 . 1 1 153 153 ALA HB2 H 1 1.500 0.04 . 1 . . . A 252 ALA HB2 . 25859 1 1625 . 1 1 153 153 ALA HB3 H 1 1.500 0.04 . 1 . . . A 252 ALA HB3 . 25859 1 1626 . 1 1 153 153 ALA C C 13 180.300 0.30 . 1 . . . A 252 ALA C . 25859 1 1627 . 1 1 153 153 ALA CA C 13 55.710 0.30 . 1 . . . A 252 ALA CA . 25859 1 1628 . 1 1 153 153 ALA CB C 13 18.200 0.30 . 1 . . . A 252 ALA CB . 25859 1 1629 . 1 1 153 153 ALA N N 15 123.680 0.40 . 1 . . . A 252 ALA N . 25859 1 1630 . 1 1 154 154 ASP H H 1 8.300 0.04 . 1 . . . A 253 ASP H . 25859 1 1631 . 1 1 154 154 ASP HA H 1 4.380 0.04 . 1 . . . A 253 ASP HA . 25859 1 1632 . 1 1 154 154 ASP HB2 H 1 2.510 0.04 . 2 . . . A 253 ASP HB2 . 25859 1 1633 . 1 1 154 154 ASP HB3 H 1 2.860 0.04 . 2 . . . A 253 ASP HB3 . 25859 1 1634 . 1 1 154 154 ASP C C 13 178.600 0.30 . 1 . . . A 253 ASP C . 25859 1 1635 . 1 1 154 154 ASP CA C 13 58.360 0.30 . 1 . . . A 253 ASP CA . 25859 1 1636 . 1 1 154 154 ASP CB C 13 43.800 0.30 . 1 . . . A 253 ASP CB . 25859 1 1637 . 1 1 154 154 ASP N N 15 117.490 0.40 . 1 . . . A 253 ASP N . 25859 1 1638 . 1 1 155 155 ASP H H 1 7.430 0.04 . 1 . . . A 254 ASP H . 25859 1 1639 . 1 1 155 155 ASP HA H 1 4.760 0.04 . 1 . . . A 254 ASP HA . 25859 1 1640 . 1 1 155 155 ASP HB2 H 1 2.790 0.04 . 2 . . . A 254 ASP HB2 . 25859 1 1641 . 1 1 155 155 ASP HB3 H 1 3.090 0.04 . 2 . . . A 254 ASP HB3 . 25859 1 1642 . 1 1 155 155 ASP C C 13 177.700 0.30 . 1 . . . A 254 ASP C . 25859 1 1643 . 1 1 155 155 ASP CA C 13 57.810 0.30 . 1 . . . A 254 ASP CA . 25859 1 1644 . 1 1 155 155 ASP CB C 13 44.300 0.30 . 1 . . . A 254 ASP CB . 25859 1 1645 . 1 1 155 155 ASP N N 15 118.830 0.40 . 1 . . . A 254 ASP N . 25859 1 1646 . 1 1 156 156 ILE H H 1 7.920 0.04 . 1 . . . A 255 ILE H . 25859 1 1647 . 1 1 156 156 ILE HA H 1 3.690 0.04 . 1 . . . A 255 ILE HA . 25859 1 1648 . 1 1 156 156 ILE HB H 1 1.770 0.04 . 1 . . . A 255 ILE HB . 25859 1 1649 . 1 1 156 156 ILE HG12 H 1 1.610 0.04 . 2 . . . A 255 ILE HG12 . 25859 1 1650 . 1 1 156 156 ILE HG13 H 1 1.430 0.04 . 2 . . . A 255 ILE HG13 . 25859 1 1651 . 1 1 156 156 ILE HG21 H 1 0.890 0.04 . 1 . . . A 255 ILE HG21 . 25859 1 1652 . 1 1 156 156 ILE HG22 H 1 0.890 0.04 . 1 . . . A 255 ILE HG22 . 25859 1 1653 . 1 1 156 156 ILE HG23 H 1 0.890 0.04 . 1 . . . A 255 ILE HG23 . 25859 1 1654 . 1 1 156 156 ILE HD11 H 1 0.780 0.04 . 1 . . . A 255 ILE HD11 . 25859 1 1655 . 1 1 156 156 ILE HD12 H 1 0.780 0.04 . 1 . . . A 255 ILE HD12 . 25859 1 1656 . 1 1 156 156 ILE HD13 H 1 0.780 0.04 . 1 . . . A 255 ILE HD13 . 25859 1 1657 . 1 1 156 156 ILE C C 13 177.600 0.30 . 1 . . . A 255 ILE C . 25859 1 1658 . 1 1 156 156 ILE CA C 13 65.520 0.30 . 1 . . . A 255 ILE CA . 25859 1 1659 . 1 1 156 156 ILE CB C 13 38.490 0.30 . 1 . . . A 255 ILE CB . 25859 1 1660 . 1 1 156 156 ILE CG1 C 13 27.200 0.30 . 1 . . . A 255 ILE CG1 . 25859 1 1661 . 1 1 156 156 ILE CD1 C 13 17.000 0.30 . 1 . . . A 255 ILE CD1 . 25859 1 1662 . 1 1 156 156 ILE N N 15 118.800 0.40 . 1 . . . A 255 ILE N . 25859 1 1663 . 1 1 157 157 ARG H H 1 8.480 0.04 . 1 . . . A 256 ARG H . 25859 1 1664 . 1 1 157 157 ARG HA H 1 4.130 0.04 . 1 . . . A 256 ARG HA . 25859 1 1665 . 1 1 157 157 ARG HB3 H 1 1.960 0.04 . 2 . . . A 256 ARG HB3 . 25859 1 1666 . 1 1 157 157 ARG HG3 H 1 1.760 0.04 . 2 . . . A 256 ARG HG3 . 25859 1 1667 . 1 1 157 157 ARG HD3 H 1 3.260 0.04 . 2 . . . A 256 ARG HD3 . 25859 1 1668 . 1 1 157 157 ARG C C 13 180.500 0.30 . 1 . . . A 256 ARG C . 25859 1 1669 . 1 1 157 157 ARG CA C 13 59.400 0.30 . 1 . . . A 256 ARG CA . 25859 1 1670 . 1 1 157 157 ARG CB C 13 29.850 0.30 . 1 . . . A 256 ARG CB . 25859 1 1671 . 1 1 157 157 ARG CG C 13 27.300 0.30 . 1 . . . A 256 ARG CG . 25859 1 1672 . 1 1 157 157 ARG CD C 13 43.500 0.30 . 1 . . . A 256 ARG CD . 25859 1 1673 . 1 1 157 157 ARG N N 15 119.230 0.40 . 1 . . . A 256 ARG N . 25859 1 1674 . 1 1 158 158 GLY H H 1 8.310 0.04 . 1 . . . A 257 GLY H . 25859 1 1675 . 1 1 158 158 GLY HA2 H 1 3.970 0.04 . 2 . . . A 257 GLY HA2 . 25859 1 1676 . 1 1 158 158 GLY HA3 H 1 3.820 0.04 . 2 . . . A 257 GLY HA3 . 25859 1 1677 . 1 1 158 158 GLY C C 13 177.000 0.30 . 1 . . . A 257 GLY C . 25859 1 1678 . 1 1 158 158 GLY CA C 13 47.400 0.30 . 1 . . . A 257 GLY CA . 25859 1 1679 . 1 1 158 158 GLY N N 15 108.170 0.40 . 1 . . . A 257 GLY N . 25859 1 1680 . 1 1 159 159 ILE H H 1 8.580 0.04 . 1 . . . A 258 ILE H . 25859 1 1681 . 1 1 159 159 ILE HA H 1 4.530 0.04 . 1 . . . A 258 ILE HA . 25859 1 1682 . 1 1 159 159 ILE HB H 1 2.170 0.04 . 1 . . . A 258 ILE HB . 25859 1 1683 . 1 1 159 159 ILE HG12 H 1 1.590 0.04 . 2 . . . A 258 ILE HG12 . 25859 1 1684 . 1 1 159 159 ILE HG21 H 1 0.890 0.04 . 1 . . . A 258 ILE HG21 . 25859 1 1685 . 1 1 159 159 ILE HG22 H 1 0.890 0.04 . 1 . . . A 258 ILE HG22 . 25859 1 1686 . 1 1 159 159 ILE HG23 H 1 0.890 0.04 . 1 . . . A 258 ILE HG23 . 25859 1 1687 . 1 1 159 159 ILE HD11 H 1 0.720 0.04 . 1 . . . A 258 ILE HD11 . 25859 1 1688 . 1 1 159 159 ILE HD12 H 1 0.720 0.04 . 1 . . . A 258 ILE HD12 . 25859 1 1689 . 1 1 159 159 ILE HD13 H 1 0.720 0.04 . 1 . . . A 258 ILE HD13 . 25859 1 1690 . 1 1 159 159 ILE C C 13 177.800 0.30 . 1 . . . A 258 ILE C . 25859 1 1691 . 1 1 159 159 ILE CA C 13 61.110 0.30 . 1 . . . A 258 ILE CA . 25859 1 1692 . 1 1 159 159 ILE CB C 13 31.900 0.30 . 1 . . . A 258 ILE CB . 25859 1 1693 . 1 1 159 159 ILE CG1 C 13 24.200 0.30 . 1 . . . A 258 ILE CG1 . 25859 1 1694 . 1 1 159 159 ILE CG2 C 13 20.600 0.30 . 1 . . . A 258 ILE CG2 . 25859 1 1695 . 1 1 159 159 ILE N N 15 123.360 0.40 . 1 . . . A 258 ILE N . 25859 1 1696 . 1 1 160 160 GLN H H 1 8.680 0.04 . 1 . . . A 259 GLN H . 25859 1 1697 . 1 1 160 160 GLN HA H 1 4.510 0.04 . 1 . . . A 259 GLN HA . 25859 1 1698 . 1 1 160 160 GLN HB2 H 1 2.040 0.04 . 2 . . . A 259 GLN HB2 . 25859 1 1699 . 1 1 160 160 GLN HB3 H 1 2.270 0.04 . 2 . . . A 259 GLN HB3 . 25859 1 1700 . 1 1 160 160 GLN HG2 H 1 2.760 0.04 . 2 . . . A 259 GLN HG2 . 25859 1 1701 . 1 1 160 160 GLN HG3 H 1 2.960 0.04 . 2 . . . A 259 GLN HG3 . 25859 1 1702 . 1 1 160 160 GLN HE21 H 1 7.750 0.04 . 2 . . . A 259 GLN HE21 . 25859 1 1703 . 1 1 160 160 GLN HE22 H 1 6.970 0.04 . 2 . . . A 259 GLN HE22 . 25859 1 1704 . 1 1 160 160 GLN C C 13 179.300 0.30 . 1 . . . A 259 GLN C . 25859 1 1705 . 1 1 160 160 GLN CA C 13 58.780 0.30 . 1 . . . A 259 GLN CA . 25859 1 1706 . 1 1 160 160 GLN CB C 13 27.000 0.30 . 1 . . . A 259 GLN CB . 25859 1 1707 . 1 1 160 160 GLN CG C 13 35.000 0.30 . 1 . . . A 259 GLN CG . 25859 1 1708 . 1 1 160 160 GLN N N 15 123.720 0.40 . 1 . . . A 259 GLN N . 25859 1 1709 . 1 1 160 160 GLN NE2 N 15 113.800 0.40 . 1 . . . A 259 GLN NE2 . 25859 1 1710 . 1 1 161 161 SER H H 1 7.980 0.04 . 1 . . . A 260 SER H . 25859 1 1711 . 1 1 161 161 SER HA H 1 4.290 0.04 . 1 . . . A 260 SER HA . 25859 1 1712 . 1 1 161 161 SER HB2 H 1 4.020 0.04 . 2 . . . A 260 SER HB2 . 25859 1 1713 . 1 1 161 161 SER HB3 H 1 4.120 0.04 . 2 . . . A 260 SER HB3 . 25859 1 1714 . 1 1 161 161 SER C C 13 175.100 0.30 . 1 . . . A 260 SER C . 25859 1 1715 . 1 1 161 161 SER CA C 13 61.420 0.30 . 1 . . . A 260 SER CA . 25859 1 1716 . 1 1 161 161 SER CB C 13 62.850 0.30 . 1 . . . A 260 SER CB . 25859 1 1717 . 1 1 161 161 SER N N 15 115.850 0.40 . 1 . . . A 260 SER N . 25859 1 1718 . 1 1 162 162 LEU H H 1 6.980 0.04 . 1 . . . A 261 LEU H . 25859 1 1719 . 1 1 162 162 LEU HA H 1 4.490 0.04 . 1 . . . A 261 LEU HA . 25859 1 1720 . 1 1 162 162 LEU HB2 H 1 1.730 0.04 . 2 . . . A 261 LEU HB2 . 25859 1 1721 . 1 1 162 162 LEU HB3 H 1 1.880 0.04 . 2 . . . A 261 LEU HB3 . 25859 1 1722 . 1 1 162 162 LEU HG H 1 1.58 0.04 . 1 . . . A 261 LEU HG . 25859 1 1723 . 1 1 162 162 LEU HD11 H 1 0.650 0.04 . 2 . . . A 261 LEU HD11 . 25859 1 1724 . 1 1 162 162 LEU HD12 H 1 0.650 0.04 . 2 . . . A 261 LEU HD12 . 25859 1 1725 . 1 1 162 162 LEU HD13 H 1 0.650 0.04 . 2 . . . A 261 LEU HD13 . 25859 1 1726 . 1 1 162 162 LEU HD21 H 1 0.800 0.04 . 2 . . . A 261 LEU HD21 . 25859 1 1727 . 1 1 162 162 LEU HD22 H 1 0.800 0.04 . 2 . . . A 261 LEU HD22 . 25859 1 1728 . 1 1 162 162 LEU HD23 H 1 0.800 0.04 . 2 . . . A 261 LEU HD23 . 25859 1 1729 . 1 1 162 162 LEU C C 13 177.600 0.30 . 1 . . . A 261 LEU C . 25859 1 1730 . 1 1 162 162 LEU CA C 13 56.690 0.30 . 1 . . . A 261 LEU CA . 25859 1 1731 . 1 1 162 162 LEU CB C 13 43.460 0.30 . 1 . . . A 261 LEU CB . 25859 1 1732 . 1 1 162 162 LEU CG C 13 26.00 0.30 . 1 . . . A 261 LEU CG . 25859 1 1733 . 1 1 162 162 LEU CD1 C 13 19.700 0.30 . 1 . . . A 261 LEU CD1 . 25859 1 1734 . 1 1 162 162 LEU CD2 C 13 23.000 0.30 . 1 . . . A 261 LEU CD2 . 25859 1 1735 . 1 1 162 162 LEU N N 15 119.000 0.40 . 1 . . . A 261 LEU N . 25859 1 1736 . 1 1 163 163 TYR H H 1 7.750 0.04 . 1 . . . A 262 TYR H . 25859 1 1737 . 1 1 163 163 TYR HA H 1 4.710 0.04 . 1 . . . A 262 TYR HA . 25859 1 1738 . 1 1 163 163 TYR HB2 H 1 3.110 0.04 . 2 . . . A 262 TYR HB2 . 25859 1 1739 . 1 1 163 163 TYR HB3 H 1 2.790 0.04 . 2 . . . A 262 TYR HB3 . 25859 1 1740 . 1 1 163 163 TYR HD1 H 1 7.310 0.04 . 1 . . . A 262 TYR HD1 . 25859 1 1741 . 1 1 163 163 TYR HE1 H 1 6.860 0.04 . 1 . . . A 262 TYR HE1 . 25859 1 1742 . 1 1 163 163 TYR C C 13 174.500 0.30 . 1 . . . A 262 TYR C . 25859 1 1743 . 1 1 163 163 TYR CA C 13 59.000 0.30 . 1 . . . A 262 TYR CA . 25859 1 1744 . 1 1 163 163 TYR CB C 13 40.780 0.30 . 1 . . . A 262 TYR CB . 25859 1 1745 . 1 1 163 163 TYR CD1 C 13 131.600 0.30 . 1 . . . A 262 TYR CD1 . 25859 1 1746 . 1 1 163 163 TYR CE1 C 13 116.000 0.30 . 1 . . . A 262 TYR CE1 . 25859 1 1747 . 1 1 163 163 TYR N N 15 114.630 0.40 . 1 . . . A 262 TYR N . 25859 1 1748 . 1 1 164 164 GLY H H 1 8.150 0.04 . 1 . . . A 263 GLY H . 25859 1 1749 . 1 1 164 164 GLY HA2 H 1 4.490 0.04 . 2 . . . A 263 GLY HA2 . 25859 1 1750 . 1 1 164 164 GLY HA3 H 1 3.870 0.04 . 2 . . . A 263 GLY HA3 . 25859 1 1751 . 1 1 164 164 GLY C C 13 174.600 0.30 . 1 . . . A 263 GLY C . 25859 1 1752 . 1 1 164 164 GLY CA C 13 47.400 0.30 . 1 . . . A 263 GLY CA . 25859 1 1753 . 1 1 164 164 GLY N N 15 115.840 0.40 . 1 . . . A 263 GLY N . 25859 1 stop_ save_