data_36151 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36151 _Entry.Title ; An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with PDM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-05 _Entry.Accession_date 2019-01-25 _Entry.Last_release_date 2019-01-25 _Entry.Original_release_date 2019-01-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36151 stop_ 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 Y. Song Y. J. . . 36151 2 C. Cao C. Y. . . 36151 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . 36151 'Streptomyces bottropensis' . 36151 'enzyme mechanism' . 36151 'natural product' . 36151 'type II polyketide heterocyclase' . 36151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 598 36151 '15N chemical shifts' 142 36151 '1H chemical shifts' 960 36151 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 . . 2025-10-11 . original BMRB . 36151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36154 'An anthrahydroquino-Gama-pyrone synthase Txn09' 36151 BMRB 36155 'An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with SUM' 36151 PDB 5Z36 'BMRB Entry Tracking System' 36151 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36151 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30151879 _Citation.DOI 10.1002/anie.201806729 _Citation.Full_citation . _Citation.Title ; Enzymology of Anthraquinone-g-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem Int Ed Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 57 _Citation.Journal_issue 41 _Citation.Journal_ASTM ACIEAY _Citation.Journal_ISSN 1433-7851 _Citation.Journal_CSD 0179 _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 13475 _Citation.Page_last 13479 _Citation.Year 2018 _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 Xian-Feng Hou X. F. . . 36151 1 2 Yu-Jiao Song Y. J. . . 36151 1 3 Mei Zhang M. . . . 36151 1 4 Wenxian Lan W. . . . 36151 1 5 Song Meng S. . . . 36151 1 6 Chunxi Wang C. . . . 36151 1 7 Hai-Xue Pan H. X. . . 36151 1 8 Chunyang Cao C. . . . 36151 1 9 Gong-Li Tang G. L. . . 36151 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36151 _Assembly.ID 1 _Assembly.Name TxnO9 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 17829.914 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36151 1 2 entity_969 2 $entity_969 B A yes . . . . . . 36151 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 1 MET . start . . 36151 1 . 1 1 10 LYS 10 . A 10 LYS . middle . . 36151 1 . 1 1 100 ALA 100 . A 100 ALA . middle . . 36151 1 . 1 1 101 SER 101 . A 101 SER . middle . . 36151 1 . 1 1 102 GLU 102 . A 102 GLU . middle . . 36151 1 . 1 1 103 ILE 103 . A 103 ILE . middle . . 36151 1 . 1 1 104 GLU 104 . A 104 GLU . middle . . 36151 1 . 1 1 105 VAL 105 . A 105 VAL . middle . . 36151 1 . 1 1 106 ASP 106 . A 106 ASP . middle . . 36151 1 . 1 1 107 PHE 107 . A 107 PHE . middle . . 36151 1 . 1 1 108 VAL 108 . A 108 VAL . middle . . 36151 1 . 1 1 109 PRO 109 . A 109 PRO . middle no . 36151 1 . 1 1 11 SER 11 . A 11 SER . middle . . 36151 1 . 1 1 110 ASN 110 . A 110 ASN . middle . . 36151 1 . 1 1 111 GLY 111 . A 111 GLY . middle no . 36151 1 . 1 1 112 SER 112 . A 112 SER . middle . . 36151 1 . 1 1 113 GLY 113 . A 113 GLY . middle no . 36151 1 . 1 1 114 GLY 114 . A 114 GLY . middle no . 36151 1 . 1 1 115 THR 115 . A 115 THR . middle . . 36151 1 . 1 1 116 ARG 116 . A 116 ARG . middle . . 36151 1 . 1 1 117 VAL 117 . A 117 VAL . middle . . 36151 1 . 1 1 118 GLU 118 . A 118 GLU . middle . . 36151 1 . 1 1 119 LEU 119 . A 119 LEU . middle . . 36151 1 . 1 1 12 VAL 12 . A 12 VAL . middle . . 36151 1 . 1 1 120 ALA 120 . A 120 ALA . middle . . 36151 1 . 1 1 121 HIS 121 . A 121 HIS . middle . . 36151 1 . 1 1 122 VAL 122 . A 122 VAL . middle . . 36151 1 . 1 1 123 LYS 123 . A 123 LYS . middle . . 36151 1 . 1 1 124 LEU 124 . A 124 LEU . middle . . 36151 1 . 1 1 125 HIS 125 . A 125 HIS . middle . . 36151 1 . 1 1 126 ARG 126 . A 126 ARG . middle . . 36151 1 . 1 1 127 HIS 127 . A 127 HIS . middle . . 36151 1 . 1 1 128 GLY 128 . A 128 GLY . middle no . 36151 1 . 1 1 129 ASP 129 . A 129 ASP . middle . . 36151 1 . 1 1 13 VAL 13 . A 13 VAL . middle . . 36151 1 . 1 1 130 GLY 130 . A 130 GLY . middle no . 36151 1 . 1 1 131 ALA 131 . A 131 ALA . middle . . 36151 1 . 1 1 132 TRP 132 . A 132 TRP . middle . . 36151 1 . 1 1 133 ASN 133 . A 133 ASN . middle . . 36151 1 . 1 1 134 ILE 134 . A 134 ILE . middle . . 36151 1 . 1 1 135 HIS 135 . A 135 HIS . middle . . 36151 1 . 1 1 136 LYS 136 . A 136 LYS . middle . . 36151 1 . 1 1 137 ALA 137 . A 137 ALA . middle . . 36151 1 . 1 1 138 LEU 138 . A 138 LEU . middle . . 36151 1 . 1 1 139 ASP 139 . A 139 ASP . middle . . 36151 1 . 1 1 14 VAL 14 . A 14 VAL . middle . . 36151 1 . 1 1 140 GLY 140 . A 140 GLY . middle no . 36151 1 . 1 1 141 PRO 141 . A 141 PRO . middle no . 36151 1 . 1 1 142 SER 142 . A 142 SER . middle . . 36151 1 . 1 1 143 PRO 143 . A 143 PRO . middle no . 36151 1 . 1 1 144 GLY 144 . A 144 GLY . middle no . 36151 1 . 1 1 145 GLU 145 . A 145 GLU . middle . . 36151 1 . 1 1 146 THR 146 . A 146 THR . middle . . 36151 1 . 1 1 147 LEU 147 . A 147 LEU . middle . . 36151 1 . 1 1 148 ALA 148 . A 148 ALA . middle . . 36151 1 . 1 1 149 ARG 149 . A 149 ARG . middle . . 36151 1 . 1 1 15 ALA 15 . A 15 ALA . middle . . 36151 1 . 1 1 150 PHE 150 . A 150 PHE . middle . . 36151 1 . 1 1 151 ALA 151 . A 151 ALA . middle . . 36151 1 . 1 1 152 ASN 152 . A 152 ASN . middle . . 36151 1 . 1 1 153 VAL 153 . A 153 VAL . middle . . 36151 1 . 1 1 154 ILE 154 . A 154 ILE . end . . 36151 1 . 1 1 16 ALA 16 . A 16 ALA . middle . . 36151 1 . 1 1 17 SER 17 . A 17 SER . middle . . 36151 1 . 1 1 18 VAL 18 . A 18 VAL . middle . . 36151 1 . 1 1 19 GLU 19 . A 19 GLU . middle . . 36151 1 . 1 1 2 PRO 2 . A 2 PRO . middle no . 36151 1 . 1 1 20 HIS 20 . A 20 HIS . middle . . 36151 1 . 1 1 21 CYS 21 . A 21 CYS . middle . . 36151 1 . 1 1 22 PHE 22 . A 22 PHE . middle . . 36151 1 . 1 1 23 GLU 23 . A 23 GLU . middle . . 36151 1 . 1 1 24 VAL 24 . A 24 VAL . middle . . 36151 1 . 1 1 25 PHE 25 . A 25 PHE . middle . . 36151 1 . 1 1 26 THR 26 . A 26 THR . middle . . 36151 1 . 1 1 27 SER 27 . A 27 SER . middle . . 36151 1 . 1 1 28 ARG 28 . A 28 ARG . middle . . 36151 1 . 1 1 29 PRO 29 . A 29 PRO . middle no . 36151 1 . 1 1 3 GLU 3 . A 3 GLU . middle . . 36151 1 . 1 1 30 ALA 30 . A 30 ALA . middle . . 36151 1 . 1 1 31 ASP 31 . A 31 ASP . middle . . 36151 1 . 1 1 32 TRP 32 . A 32 TRP . middle . . 36151 1 . 1 1 33 TRP 33 . A 33 TRP . middle . . 36151 1 . 1 1 34 PRO 34 . A 34 PRO . middle no . 36151 1 . 1 1 35 PRO 35 . A 35 PRO . middle no . 36151 1 . 1 1 36 SER 36 . A 36 SER . middle . . 36151 1 . 1 1 37 HIS 37 . A 37 HIS . middle . . 36151 1 . 1 1 38 VAL 38 . A 38 VAL . middle . . 36151 1 . 1 1 39 LEU 39 . A 39 LEU . middle . . 36151 1 . 1 1 4 GLU 4 . A 4 GLU . middle . . 36151 1 . 1 1 40 VAL 40 . A 40 VAL . middle . . 36151 1 . 1 1 41 LYS 41 . A 41 LYS . middle . . 36151 1 . 1 1 42 LYS 42 . A 42 LYS . middle . . 36151 1 . 1 1 43 GLU 43 . A 43 GLU . middle . . 36151 1 . 1 1 44 ARG 44 . A 44 ARG . middle . . 36151 1 . 1 1 45 ALA 45 . A 45 ALA . middle . . 36151 1 . 1 1 46 GLY 46 . A 46 GLY . middle no . 36151 1 . 1 1 47 LEU 47 . A 47 LEU . middle . . 36151 1 . 1 1 48 ALA 48 . A 48 ALA . middle . . 36151 1 . 1 1 49 PHE 49 . A 49 PHE . middle . . 36151 1 . 1 1 5 ILE 5 . A 5 ILE . middle . . 36151 1 . 1 1 50 GLU 50 . A 50 GLU . middle . . 36151 1 . 1 1 51 PRO 51 . A 51 PRO . middle no . 36151 1 . 1 1 52 PHE 52 . A 52 PHE . middle . . 36151 1 . 1 1 53 VAL 53 . A 53 VAL . middle . . 36151 1 . 1 1 54 GLY 54 . A 54 GLY . middle no . 36151 1 . 1 1 55 GLY 55 . A 55 GLY . middle no . 36151 1 . 1 1 56 ARG 56 . A 56 ARG . middle . . 36151 1 . 1 1 57 TYR 57 . A 57 TYR . middle . . 36151 1 . 1 1 58 TYR 58 . A 58 TYR . middle . . 36151 1 . 1 1 59 GLU 59 . A 59 GLU . middle . . 36151 1 . 1 1 6 PRO 6 . A 6 PRO . middle no . 36151 1 . 1 1 60 TRP 60 . A 60 TRP . middle . . 36151 1 . 1 1 61 ASP 61 . A 61 ASP . middle . . 36151 1 . 1 1 62 ILE 62 . A 62 ILE . middle . . 36151 1 . 1 1 63 ASP 63 . A 63 ASP . middle . . 36151 1 . 1 1 64 GLY 64 . A 64 GLY . middle no . 36151 1 . 1 1 65 THR 65 . A 65 THR . middle . . 36151 1 . 1 1 66 GLU 66 . A 66 GLU . middle . . 36151 1 . 1 1 67 ILE 67 . A 67 ILE . middle . . 36151 1 . 1 1 68 VAL 68 . A 68 VAL . middle . . 36151 1 . 1 1 69 TRP 69 . A 69 TRP . middle . . 36151 1 . 1 1 7 ASP 7 . A 7 ASP . middle . . 36151 1 . 1 1 70 GLY 70 . A 70 GLY . middle no . 36151 1 . 1 1 71 ARG 71 . A 71 ARG . middle . . 36151 1 . 1 1 72 ILE 72 . A 72 ILE . middle . . 36151 1 . 1 1 73 LEU 73 . A 73 LEU . middle . . 36151 1 . 1 1 74 GLU 74 . A 74 GLU . middle . . 36151 1 . 1 1 75 TRP 75 . A 75 TRP . middle . . 36151 1 . 1 1 76 ASP 76 . A 76 ASP . middle . . 36151 1 . 1 1 77 PRO 77 . A 77 PRO . middle no . 36151 1 . 1 1 78 PRO 78 . A 78 PRO . middle no . 36151 1 . 1 1 79 HIS 79 . A 79 HIS . middle . . 36151 1 . 1 1 8 VAL 8 . A 8 VAL . middle . . 36151 1 . 1 1 80 ARG 80 . A 80 ARG . middle . . 36151 1 . 1 1 81 LEU 81 . A 81 LEU . middle . . 36151 1 . 1 1 82 ALA 82 . A 82 ALA . middle . . 36151 1 . 1 1 83 MET 83 . A 83 MET . middle . . 36151 1 . 1 1 84 THR 84 . A 84 THR . middle . . 36151 1 . 1 1 85 TRP 85 . A 85 TRP . middle . . 36151 1 . 1 1 86 ARG 86 . A 86 ARG . middle . . 36151 1 . 1 1 87 ILE 87 . A 87 ILE . middle . . 36151 1 . 1 1 88 ASP 88 . A 88 ASP . middle . . 36151 1 . 1 1 89 GLY 89 . A 89 GLY . middle no . 36151 1 . 1 1 9 ARG 9 . A 9 ARG . middle . . 36151 1 . 1 1 90 HIS 90 . A 90 HIS . middle . . 36151 1 . 1 1 91 TRP 91 . A 91 TRP . middle . . 36151 1 . 1 1 92 GLN 92 . A 92 GLN . middle . . 36151 1 . 1 1 93 SER 93 . A 93 SER . middle . . 36151 1 . 1 1 94 VAL 94 . A 94 VAL . middle . . 36151 1 . 1 1 95 PRO 95 . A 95 PRO . middle no . 36151 1 . 1 1 96 ASP 96 . A 96 ASP . middle . . 36151 1 . 1 1 97 ASP 97 . A 97 ASP . middle . . 36151 1 . 1 1 98 ASP 98 . A 98 ASP . middle . . 36151 1 . 1 1 99 ARG 99 . A 99 ARG . middle . . 36151 1 . 2 2 1 969 1 . A 201 969 . . . . 36151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TxnO9 _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; MPEEIPDVRKSVVVAASVEH CFEVFTSRPADWWPPSHVLV KKERAGLAFEPFVGGRYYEW DIDGTEIVWGRILEWDPPHR LAMTWRIDGHWQSVPDDDRA SEIEVDFVPNGSGGTRVELA HVKLHRHGDGAWNIHKALDG PSPGETLARFANVI ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17451.539 _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 1 MET . 36151 1 2 2 PRO . 36151 1 3 3 GLU . 36151 1 4 4 GLU . 36151 1 5 5 ILE . 36151 1 6 6 PRO . 36151 1 7 7 ASP . 36151 1 8 8 VAL . 36151 1 9 9 ARG . 36151 1 10 10 LYS . 36151 1 11 11 SER . 36151 1 12 12 VAL . 36151 1 13 13 VAL . 36151 1 14 14 VAL . 36151 1 15 15 ALA . 36151 1 16 16 ALA . 36151 1 17 17 SER . 36151 1 18 18 VAL . 36151 1 19 19 GLU . 36151 1 20 20 HIS . 36151 1 21 21 CYS . 36151 1 22 22 PHE . 36151 1 23 23 GLU . 36151 1 24 24 VAL . 36151 1 25 25 PHE . 36151 1 26 26 THR . 36151 1 27 27 SER . 36151 1 28 28 ARG . 36151 1 29 29 PRO . 36151 1 30 30 ALA . 36151 1 31 31 ASP . 36151 1 32 32 TRP . 36151 1 33 33 TRP . 36151 1 34 34 PRO . 36151 1 35 35 PRO . 36151 1 36 36 SER . 36151 1 37 37 HIS . 36151 1 38 38 VAL . 36151 1 39 39 LEU . 36151 1 40 40 VAL . 36151 1 41 41 LYS . 36151 1 42 42 LYS . 36151 1 43 43 GLU . 36151 1 44 44 ARG . 36151 1 45 45 ALA . 36151 1 46 46 GLY . 36151 1 47 47 LEU . 36151 1 48 48 ALA . 36151 1 49 49 PHE . 36151 1 50 50 GLU . 36151 1 51 51 PRO . 36151 1 52 52 PHE . 36151 1 53 53 VAL . 36151 1 54 54 GLY . 36151 1 55 55 GLY . 36151 1 56 56 ARG . 36151 1 57 57 TYR . 36151 1 58 58 TYR . 36151 1 59 59 GLU . 36151 1 60 60 TRP . 36151 1 61 61 ASP . 36151 1 62 62 ILE . 36151 1 63 63 ASP . 36151 1 64 64 GLY . 36151 1 65 65 THR . 36151 1 66 66 GLU . 36151 1 67 67 ILE . 36151 1 68 68 VAL . 36151 1 69 69 TRP . 36151 1 70 70 GLY . 36151 1 71 71 ARG . 36151 1 72 72 ILE . 36151 1 73 73 LEU . 36151 1 74 74 GLU . 36151 1 75 75 TRP . 36151 1 76 76 ASP . 36151 1 77 77 PRO . 36151 1 78 78 PRO . 36151 1 79 79 HIS . 36151 1 80 80 ARG . 36151 1 81 81 LEU . 36151 1 82 82 ALA . 36151 1 83 83 MET . 36151 1 84 84 THR . 36151 1 85 85 TRP . 36151 1 86 86 ARG . 36151 1 87 87 ILE . 36151 1 88 88 ASP . 36151 1 89 89 GLY . 36151 1 90 90 HIS . 36151 1 91 91 TRP . 36151 1 92 92 GLN . 36151 1 93 93 SER . 36151 1 94 94 VAL . 36151 1 95 95 PRO . 36151 1 96 96 ASP . 36151 1 97 97 ASP . 36151 1 98 98 ASP . 36151 1 99 99 ARG . 36151 1 100 100 ALA . 36151 1 101 101 SER . 36151 1 102 102 GLU . 36151 1 103 103 ILE . 36151 1 104 104 GLU . 36151 1 105 105 VAL . 36151 1 106 106 ASP . 36151 1 107 107 PHE . 36151 1 108 108 VAL . 36151 1 109 109 PRO . 36151 1 110 110 ASN . 36151 1 111 111 GLY . 36151 1 112 112 SER . 36151 1 113 113 GLY . 36151 1 114 114 GLY . 36151 1 115 115 THR . 36151 1 116 116 ARG . 36151 1 117 117 VAL . 36151 1 118 118 GLU . 36151 1 119 119 LEU . 36151 1 120 120 ALA . 36151 1 121 121 HIS . 36151 1 122 122 VAL . 36151 1 123 123 LYS . 36151 1 124 124 LEU . 36151 1 125 125 HIS . 36151 1 126 126 ARG . 36151 1 127 127 HIS . 36151 1 128 128 GLY . 36151 1 129 129 ASP . 36151 1 130 130 GLY . 36151 1 131 131 ALA . 36151 1 132 132 TRP . 36151 1 133 133 ASN . 36151 1 134 134 ILE . 36151 1 135 135 HIS . 36151 1 136 136 LYS . 36151 1 137 137 ALA . 36151 1 138 138 LEU . 36151 1 139 139 ASP . 36151 1 140 140 GLY . 36151 1 141 141 PRO . 36151 1 142 142 SER . 36151 1 143 143 PRO . 36151 1 144 144 GLY . 36151 1 145 145 GLU . 36151 1 146 146 THR . 36151 1 147 147 LEU . 36151 1 148 148 ALA . 36151 1 149 149 ARG . 36151 1 150 150 PHE . 36151 1 151 151 ALA . 36151 1 152 152 ASN . 36151 1 153 153 VAL . 36151 1 154 154 ILE . 36151 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36151 1 . PRO 2 2 36151 1 . GLU 3 3 36151 1 . GLU 4 4 36151 1 . ILE 5 5 36151 1 . PRO 6 6 36151 1 . ASP 7 7 36151 1 . VAL 8 8 36151 1 . ARG 9 9 36151 1 . LYS 10 10 36151 1 . SER 11 11 36151 1 . VAL 12 12 36151 1 . VAL 13 13 36151 1 . VAL 14 14 36151 1 . ALA 15 15 36151 1 . ALA 16 16 36151 1 . SER 17 17 36151 1 . VAL 18 18 36151 1 . GLU 19 19 36151 1 . HIS 20 20 36151 1 . CYS 21 21 36151 1 . PHE 22 22 36151 1 . GLU 23 23 36151 1 . VAL 24 24 36151 1 . PHE 25 25 36151 1 . THR 26 26 36151 1 . SER 27 27 36151 1 . ARG 28 28 36151 1 . PRO 29 29 36151 1 . ALA 30 30 36151 1 . ASP 31 31 36151 1 . TRP 32 32 36151 1 . TRP 33 33 36151 1 . PRO 34 34 36151 1 . PRO 35 35 36151 1 . SER 36 36 36151 1 . HIS 37 37 36151 1 . VAL 38 38 36151 1 . LEU 39 39 36151 1 . VAL 40 40 36151 1 . LYS 41 41 36151 1 . LYS 42 42 36151 1 . GLU 43 43 36151 1 . ARG 44 44 36151 1 . ALA 45 45 36151 1 . GLY 46 46 36151 1 . LEU 47 47 36151 1 . ALA 48 48 36151 1 . PHE 49 49 36151 1 . GLU 50 50 36151 1 . PRO 51 51 36151 1 . PHE 52 52 36151 1 . VAL 53 53 36151 1 . GLY 54 54 36151 1 . GLY 55 55 36151 1 . ARG 56 56 36151 1 . TYR 57 57 36151 1 . TYR 58 58 36151 1 . GLU 59 59 36151 1 . TRP 60 60 36151 1 . ASP 61 61 36151 1 . ILE 62 62 36151 1 . ASP 63 63 36151 1 . GLY 64 64 36151 1 . THR 65 65 36151 1 . GLU 66 66 36151 1 . ILE 67 67 36151 1 . VAL 68 68 36151 1 . TRP 69 69 36151 1 . GLY 70 70 36151 1 . ARG 71 71 36151 1 . ILE 72 72 36151 1 . LEU 73 73 36151 1 . GLU 74 74 36151 1 . TRP 75 75 36151 1 . ASP 76 76 36151 1 . PRO 77 77 36151 1 . PRO 78 78 36151 1 . HIS 79 79 36151 1 . ARG 80 80 36151 1 . LEU 81 81 36151 1 . ALA 82 82 36151 1 . MET 83 83 36151 1 . THR 84 84 36151 1 . TRP 85 85 36151 1 . ARG 86 86 36151 1 . ILE 87 87 36151 1 . ASP 88 88 36151 1 . GLY 89 89 36151 1 . HIS 90 90 36151 1 . TRP 91 91 36151 1 . GLN 92 92 36151 1 . SER 93 93 36151 1 . VAL 94 94 36151 1 . PRO 95 95 36151 1 . ASP 96 96 36151 1 . ASP 97 97 36151 1 . ASP 98 98 36151 1 . ARG 99 99 36151 1 . ALA 100 100 36151 1 . SER 101 101 36151 1 . GLU 102 102 36151 1 . ILE 103 103 36151 1 . GLU 104 104 36151 1 . VAL 105 105 36151 1 . ASP 106 106 36151 1 . PHE 107 107 36151 1 . VAL 108 108 36151 1 . PRO 109 109 36151 1 . ASN 110 110 36151 1 . GLY 111 111 36151 1 . SER 112 112 36151 1 . GLY 113 113 36151 1 . GLY 114 114 36151 1 . THR 115 115 36151 1 . ARG 116 116 36151 1 . VAL 117 117 36151 1 . GLU 118 118 36151 1 . LEU 119 119 36151 1 . ALA 120 120 36151 1 . HIS 121 121 36151 1 . VAL 122 122 36151 1 . LYS 123 123 36151 1 . LEU 124 124 36151 1 . HIS 125 125 36151 1 . ARG 126 126 36151 1 . HIS 127 127 36151 1 . GLY 128 128 36151 1 . ASP 129 129 36151 1 . GLY 130 130 36151 1 . ALA 131 131 36151 1 . TRP 132 132 36151 1 . ASN 133 133 36151 1 . ILE 134 134 36151 1 . HIS 135 135 36151 1 . LYS 136 136 36151 1 . ALA 137 137 36151 1 . LEU 138 138 36151 1 . ASP 139 139 36151 1 . GLY 140 140 36151 1 . PRO 141 141 36151 1 . SER 142 142 36151 1 . PRO 143 143 36151 1 . GLY 144 144 36151 1 . GLU 145 145 36151 1 . THR 146 146 36151 1 . LEU 147 147 36151 1 . ALA 148 148 36151 1 . ARG 149 149 36151 1 . PHE 150 150 36151 1 . ALA 151 151 36151 1 . ASN 152 152 36151 1 . VAL 153 153 36151 1 . ILE 154 154 36151 1 stop_ save_ save_entity_969 _Entity.Sf_category entity _Entity.Sf_framecode entity_969 _Entity.Entry_ID 36151 _Entity.ID 2 _Entity.BMRB_code 969 _Entity.Name 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 969 _Entity.Nonpolymer_comp_label $chem_comp_969 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 378.375 _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 1 201 969 $chem_comp_969 36151 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36151 _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 $entity_1 . 42235 organism . 'Streptomyces bottropensis' . . . Bacteria Bacillati Streptomyces bottropensis . . . . . . . . . . . . . 36151 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 36151 _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 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 Escherichia coli . . . . . . . . . . 36151 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_969 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_969 _Chem_comp.Entry_ID 36151 _Chem_comp.ID 1 _Chem_comp.Provenance PDB _Chem_comp.Name 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 969 _Chem_comp.PDB_code 969 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 969 _Chem_comp.Number_atoms_all 46 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1 ; _Chem_comp.Mon_nstd_flag no _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 'C22 H18 O6' _Chem_comp.Formula_weight 378.375 _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 5Z36 _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 CCC(C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O SMILES 'OpenEye OEToolkits' 2.0.6 36151 1 CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C SMILES ACDLabs 12.01 36151 1 CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.6 36151 1 CC[C@](C)(O)C1=CC(=O)c2c(C)cc3C(=O)c4cccc(O)c4C(=O)c3c2O1 SMILES_CANONICAL CACTVS 3.385 36151 1 CC[C](C)(O)C1=CC(=O)c2c(C)cc3C(=O)c4cccc(O)c4C(=O)c3c2O1 SMILES CACTVS 3.385 36151 1 ; InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1 ; InChI InChI 1.03 36151 1 SUGGWZIKECZBID-QFIPXVFZSA-N InChIKey InChI 1.03 36151 1 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 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione 'SYSTEMATIC NAME' ACDLabs 12.01 36151 1 5-methyl-11-oxidanyl-2-[(2~{S})-2-oxidanylbutan-2-yl]naphtho[2,3-h]chromene-4,7,12-trione 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.6 36151 1 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 CBB CBB CBB C1 . C . . N 0 . . . 1 N N . . . . 5.632 . -8.833 . 2.760 . -4.786 3.250 -1.173 1 . 36151 1 CBA CBA CBA C2 . C . . N 0 . . . 1 N N . . . . 5.328 . -7.638 . 1.855 . -3.937 1.978 -1.221 2 . 36151 1 CAX CAX CAX C3 . C . . S 0 . . . 1 N N . . . . 6.634 . -7.094 . 1.270 . -3.628 1.518 0.205 3 . 36151 1 CAY CAY CAY C4 . C . . N 0 . . . 1 N N . . . . 6.723 . -7.456 . -0.213 . -4.937 1.230 0.943 4 . 36151 1 OAZ OAZ OAZ O1 . O . . N 0 . . . 1 N N . . . . 7.742 . -7.674 . 1.965 . -2.910 2.544 0.892 5 . 36151 1 CAW CAW CAW C5 . C . . N 0 . . . 1 N N . . . . 6.671 . -5.712 . 1.411 . -2.792 0.265 0.158 6 . 36151 1 OAR OAR OAR O2 . O . . N 0 . . . 1 N N . . . . 6.682 . -4.919 . 0.305 . -1.472 0.398 0.041 7 . 36151 1 CAD CAD CAD C6 . C . . N 0 . . . 1 Y N . . . . 7.737 . -4.056 . 0.292 . -0.664 -0.675 -0.007 8 . 36151 1 CAF CAF CAF C7 . C . . N 0 . . . 1 Y N . . . . 8.166 . -3.563 . -0.935 . 0.723 -0.517 -0.130 9 . 36151 1 CAG CAG CAG C8 . C . . N 0 . . . 1 N N . . . . 7.579 . -3.995 . -2.118 . 1.318 0.832 -0.206 10 . 36151 1 OAP OAP OAP O3 . O . . N 0 . . . 1 N N . . . . 6.669 . -4.823 . -2.094 . 0.615 1.802 -0.416 11 . 36151 1 CAH CAH CAH C9 . C . . N 0 . . . 1 Y N . . . . 8.017 . -3.468 . -3.327 . 2.773 0.991 -0.025 12 . 36151 1 CAK CAK CAK C10 . C . . N 0 . . . 1 Y N . . . . 7.480 . -3.924 . -4.526 . 3.330 2.252 0.198 13 . 36151 1 OAQ OAQ OAQ O4 . O . . N 0 . . . 1 N N . . . . 6.484 . -4.846 . -4.439 . 2.535 3.349 0.251 14 . 36151 1 CAL CAL CAL C11 . C . . N 0 . . . 1 Y N . . . . 7.952 . -3.456 . -5.746 . 4.708 2.377 0.366 15 . 36151 1 CAM CAM CAM C12 . C . . N 0 . . . 1 Y N . . . . 8.970 . -2.512 . -5.766 . 5.521 1.264 0.313 16 . 36151 1 CAN CAN CAN C13 . C . . N 0 . . . 1 Y N . . . . 9.506 . -2.042 . -4.573 . 4.982 0.006 0.092 17 . 36151 1 CAI CAI CAI C14 . C . . N 0 . . . 1 Y N . . . . 9.032 . -2.518 . -3.355 . 3.610 -0.141 -0.077 18 . 36151 1 CAJ CAJ CAJ C15 . C . . N 0 . . . 1 N N . . . . 9.603 . -2.073 . -2.169 . 3.019 -1.476 -0.310 19 . 36151 1 OAO OAO OAO O5 . O . . N 0 . . . 1 N N . . . . 10.435 . -1.167 . -2.185 . 3.726 -2.419 -0.605 20 . 36151 1 CAC CAC CAC C16 . C . . N 0 . . . 1 Y N . . . . 9.172 . -2.604 . -0.960 . 1.553 -1.650 -0.179 21 . 36151 1 CAE CAE CAE C17 . C . . N 0 . . . 1 Y N . . . . 9.734 . -2.155 . 0.230 . 1.001 -2.928 -0.105 22 . 36151 1 CAA CAA CAA C18 . C . . N 0 . . . 1 Y N . . . . 9.294 . -2.652 . 1.452 . -0.365 -3.088 0.017 23 . 36151 1 CAS CAS CAS C19 . C . . N 0 . . . 1 N N . . . . 9.961 . -2.292 . 2.617 . -0.956 -4.472 0.097 24 . 36151 1 CAB CAB CAB C20 . C . . N 0 . . . 1 Y N . . . . 8.275 . -3.597 . 1.489 . -1.198 -1.973 0.067 25 . 36151 1 CAT CAT CAT C21 . C . . N 0 . . . 1 N N . . . . 7.776 . -4.060 . 2.700 . -2.664 -2.118 0.198 26 . 36151 1 OAU OAU OAU O6 . O . . N 0 . . . 1 N N . . . . 8.040 . -3.506 . 3.766 . -3.194 -3.214 0.267 27 . 36151 1 CAV CAV CAV C22 . C . . N 0 . . . 1 N N . . . . 6.918 . -5.150 . 2.656 . -3.423 -0.919 0.243 28 . 36151 1 HBC HBC HBC H1 . H . . N 0 . . . 1 N N . . . . 4.693 . -9.224 . 3.180 . -5.719 3.045 -0.647 29 . 36151 1 HBD HBD HBD H2 . H . . N 0 . . . 1 N N . . . . 6.127 . -9.621 . 2.173 . -4.238 4.033 -0.650 30 . 36151 1 HBE HBE HBE H3 . H . . N 0 . . . 1 N N . . . . 6.295 . -8.514 . 3.578 . -5.007 3.578 -2.189 31 . 36151 1 HBA HBA HBA H4 . H . . N 0 . . . 1 N N . . . . 4.833 . -6.850 . 2.442 . -4.485 1.195 -1.745 32 . 36151 1 HBB HBB HBB H5 . H . . N 0 . . . 1 N N . . . . 4.665 . -7.957 . 1.037 . -3.005 2.183 -1.747 33 . 36151 1 HA0 HA0 HA0 H6 . H . . N 0 . . . 1 N N . . . . 6.694 . -8.550 . -0.326 . -4.716 0.902 1.959 34 . 36151 1 HAY HAY HAY H7 . H . . N 0 . . . 1 N N . . . . 5.874 . -7.009 . -0.751 . -5.542 2.136 0.977 35 . 36151 1 HAZ HAZ HAZ H8 . H . . N 0 . . . 1 N N . . . . 7.665 . -7.069 . -0.629 . -5.485 0.447 0.419 36 . 36151 1 HBF HBF HBF H9 . H . . N 0 . . . 1 N N . . . . 7.690 . -7.451 . 2.887 . -2.067 2.779 0.479 37 . 36151 1 HAQ HAQ HAQ H11 . H . . N 0 . . . 1 N N . . . . 6.322 . -5.053 . -3.526 . 2.208 3.555 1.138 38 . 36151 1 HAL HAL HAL H12 . H . . N 0 . . . 1 N N . . . . 7.531 . -3.823 . -6.670 . 5.141 3.351 0.539 39 . 36151 1 HAM HAM HAM H13 . H . . N 0 . . . 1 N N . . . . 9.345 . -2.143 . -6.709 . 6.587 1.374 0.444 40 . 36151 1 HAN HAN HAN H14 . H . . N 0 . . . 1 N N . . . . 10.294 . -1.304 . -4.592 . 5.627 -0.859 0.052 41 . 36151 1 HAE HAE HAE H15 . H . . N 0 . . . 1 N N . . . . 10.519 . -1.414 . 0.205 . 1.644 -3.795 -0.144 42 . 36151 1 HAS HAS HAS H16 . H . . N 0 . . . 1 N N . . . . 9.476 . -1.409 . 3.060 . -1.119 -4.738 1.141 43 . 36151 1 HAT HAT HAT H17 . H . . N 0 . . . 1 N N . . . . 9.926 . -3.127 . 3.332 . -1.907 -4.492 -0.436 44 . 36151 1 HAU HAU HAU H18 . H . . N 0 . . . 1 N N . . . . 11.009 . -2.055 . 2.381 . -0.270 -5.187 -0.357 45 . 36151 1 HAV HAV HAV H19 . H . . N 0 . . . 1 N N . . . . 6.462 . -5.544 . 3.552 . -4.498 -0.957 0.342 46 . 36151 1 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CAM CAL Y N 1 . 36151 1 2 . SING CAM CAN Y N 2 . 36151 1 3 . SING CAL CAK Y N 3 . 36151 1 4 . DOUB CAN CAI Y N 4 . 36151 1 5 . SING CAK OAQ N N 5 . 36151 1 6 . DOUB CAK CAH Y N 6 . 36151 1 7 . SING CAI CAH Y N 7 . 36151 1 8 . SING CAI CAJ N N 8 . 36151 1 9 . SING CAH CAG N N 9 . 36151 1 10 . DOUB OAO CAJ N N 10 . 36151 1 11 . SING CAJ CAC N N 11 . 36151 1 12 . DOUB CAG OAP N N 12 . 36151 1 13 . SING CAG CAF N N 13 . 36151 1 14 . DOUB CAC CAF Y N 14 . 36151 1 15 . SING CAC CAE Y N 15 . 36151 1 16 . SING CAF CAD Y N 16 . 36151 1 17 . SING CAY CAX N N 17 . 36151 1 18 . DOUB CAE CAA Y N 18 . 36151 1 19 . SING CAD OAR N N 19 . 36151 1 20 . DOUB CAD CAB Y N 20 . 36151 1 21 . SING OAR CAW N N 21 . 36151 1 22 . SING CAX CAW N N 22 . 36151 1 23 . SING CAX CBA N N 23 . 36151 1 24 . SING CAX OAZ N N 24 . 36151 1 25 . DOUB CAW CAV N N 25 . 36151 1 26 . SING CAA CAB Y N 26 . 36151 1 27 . SING CAA CAS N N 27 . 36151 1 28 . SING CAB CAT N N 28 . 36151 1 29 . SING CBA CBB N N 29 . 36151 1 30 . SING CAV CAT N N 30 . 36151 1 31 . DOUB CAT OAU N N 31 . 36151 1 32 . SING CBB HBC N N 32 . 36151 1 33 . SING CBB HBD N N 33 . 36151 1 34 . SING CBB HBE N N 34 . 36151 1 35 . SING CBA HBA N N 35 . 36151 1 36 . SING CBA HBB N N 36 . 36151 1 37 . SING CAY HA0 N N 37 . 36151 1 38 . SING CAY HAY N N 38 . 36151 1 39 . SING CAY HAZ N N 39 . 36151 1 40 . SING OAZ HBF N N 40 . 36151 1 41 . SING OAQ HAQ N N 41 . 36151 1 42 . SING CAL HAL N N 42 . 36151 1 43 . SING CAM HAM N N 43 . 36151 1 44 . SING CAN HAN N N 44 . 36151 1 45 . SING CAE HAE N N 45 . 36151 1 46 . SING CAS HAS N N 46 . 36151 1 47 . SING CAS HAT N N 47 . 36151 1 48 . SING CAS HAU N N 48 . 36151 1 49 . SING CAV HAV N N 49 . 36151 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36151 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-99% 13C; U-99% 15N] Txn09, 50 mM sodium chloride, 20 mM sodium phosphate, 10 % v/v Deuteration DMSO, 90% H2O/10% D2O' _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 Txn09 '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.7 . . mM . . . . 36151 1 2 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36151 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36151 1 4 DMSO 'natural abundance' . . . . . solvent 10 . . '% v/v' . . . . 36151 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36151 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36151 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36151 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 36151 1 pH 7.4 . pH 36151 1 pressure 1 . atm 36151 1 temperature 293 . K 36151 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 36151 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 36151 2 pH 7.4 . pH 36151 2 pressure 1 . atm 36151 2 temperature 293 . K 36151 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36151 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36151 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36151 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36151 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36151 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36151 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36151 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36151 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36151 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36151 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36151 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36151 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36151 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36151 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36151 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36151 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36151 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36151 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent DD2 . 600 . . . 36151 1 2 NMR_spectrometer_2 Agilent DD2 . 800 . . . 36151 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36151 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36151 1 2 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36151 1 3 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36151 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36151 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 6 '2D 1H-13C HSQC aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 7 '2D 1H-13C HSQC aromatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 8 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 9 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 10 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 11 '3D 1H-13C NOESY aromatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 12 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 13 '2D filtered NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 14 '2D filtered TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 15 '3D edited/filtered NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36151 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36151 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36151 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36151 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36151 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36151 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' 1 $sample_1 isotropic 36151 1 2 '3D HNCA' 1 $sample_1 isotropic 36151 1 3 '3D HNCACB' 1 $sample_1 isotropic 36151 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36151 1 5 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36151 1 6 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36151 1 7 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36151 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36151 1 9 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36151 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36151 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36151 1 12 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36151 1 13 '2D filtered NOESY' 1 $sample_1 isotropic 36151 1 14 '2D filtered TOCSY' 1 $sample_1 isotropic 36151 1 15 '3D edited/filtered NOESY' 1 $sample_1 isotropic 36151 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 52.499 0 . 1 . . . . A 1 MET CA . 36151 1 2 . 1 . 1 1 1 MET CB C 13 34.161 0 . 1 . . . . A 1 MET CB . 36151 1 3 . 1 . 1 2 2 PRO HA H 1 4.401 0.006 . 1 . . . . A 2 PRO HA . 36151 1 4 . 1 . 1 2 2 PRO HB2 H 1 2.225 0.004 . . . . . . A 2 PRO HB2 . 36151 1 5 . 1 . 1 2 2 PRO HB3 H 1 1.883 0.011 . . . . . . A 2 PRO HB3 . 36151 1 6 . 1 . 1 2 2 PRO HG2 H 1 1.954 0.016 . . . . . . A 2 PRO HG2 . 36151 1 7 . 1 . 1 2 2 PRO HG3 H 1 1.882 0.007 . . . . . . A 2 PRO HG3 . 36151 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.597 0.003 . . . . . . A 2 PRO HD2 . 36151 1 9 . 1 . 1 2 2 PRO HD3 H 1 2.853 0.011 . . . . . . A 2 PRO HD3 . 36151 1 10 . 1 . 1 2 2 PRO C C 13 176.504 0 . 1 . . . . A 2 PRO C . 36151 1 11 . 1 . 1 2 2 PRO CA C 13 63.055 0.14 . 1 . . . . A 2 PRO CA . 36151 1 12 . 1 . 1 2 2 PRO CB C 13 32.026 0.085 . 1 . . . . A 2 PRO CB . 36151 1 13 . 1 . 1 2 2 PRO CG C 13 27.227 0.053 . 1 . . . . A 2 PRO CG . 36151 1 14 . 1 . 1 2 2 PRO CD C 13 50.468 0.024 . 1 . . . . A 2 PRO CD . 36151 1 15 . 1 . 1 3 3 GLU H H 1 8.54 0.003 . 1 . . . . A 3 GLU H . 36151 1 16 . 1 . 1 3 3 GLU HA H 1 4.202 0.01 . 1 . . . . A 3 GLU HA . 36151 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.028 0.006 . . . . . . A 3 GLU HB2 . 36151 1 18 . 1 . 1 3 3 GLU HB3 H 1 1.938 0 . . . . . . A 3 GLU HB3 . 36151 1 19 . 1 . 1 3 3 GLU HG2 H 1 2.311 0.003 . . . . . . A 3 GLU HG2 . 36151 1 20 . 1 . 1 3 3 GLU HG3 H 1 2.222 0.026 . . . . . . A 3 GLU HG3 . 36151 1 21 . 1 . 1 3 3 GLU C C 13 176.33 0 . 1 . . . . A 3 GLU C . 36151 1 22 . 1 . 1 3 3 GLU CA C 13 56.736 0.083 . 1 . . . . A 3 GLU CA . 36151 1 23 . 1 . 1 3 3 GLU CB C 13 30.588 0.007 . 1 . . . . A 3 GLU CB . 36151 1 24 . 1 . 1 3 3 GLU CG C 13 36.497 0.08 . 1 . . . . A 3 GLU CG . 36151 1 25 . 1 . 1 3 3 GLU N N 15 120.684 0.011 . 1 . . . . A 3 GLU N . 36151 1 26 . 1 . 1 4 4 GLU H H 1 8.159 0.027 . 1 . . . . A 4 GLU H . 36151 1 27 . 1 . 1 4 4 GLU HA H 1 4.187 0.009 . 1 . . . . A 4 GLU HA . 36151 1 28 . 1 . 1 4 4 GLU HB2 H 1 2.035 0 . . . . . . A 4 GLU HB2 . 36151 1 29 . 1 . 1 4 4 GLU HB3 H 1 1.943 0.004 . . . . . . A 4 GLU HB3 . 36151 1 30 . 1 . 1 4 4 GLU HG2 H 1 2.237 0.041 . . . . . . A 4 GLU HG2 . 36151 1 31 . 1 . 1 4 4 GLU HG3 H 1 2.051 0.039 . . . . . . A 4 GLU HG3 . 36151 1 32 . 1 . 1 4 4 GLU C C 13 174.992 0 . 1 . . . . A 4 GLU C . 36151 1 33 . 1 . 1 4 4 GLU CA C 13 55.995 0.097 . 1 . . . . A 4 GLU CA . 36151 1 34 . 1 . 1 4 4 GLU CB C 13 30.586 0.036 . 1 . . . . A 4 GLU CB . 36151 1 35 . 1 . 1 4 4 GLU CG C 13 36.428 0.152 . 1 . . . . A 4 GLU CG . 36151 1 36 . 1 . 1 4 4 GLU N N 15 120.869 0.08 . 1 . . . . A 4 GLU N . 36151 1 37 . 1 . 1 5 5 ILE H H 1 8.338 0.005 . 1 . . . . A 5 ILE H . 36151 1 38 . 1 . 1 5 5 ILE HA H 1 4.001 0.018 . 1 . . . . A 5 ILE HA . 36151 1 39 . 1 . 1 5 5 ILE HB H 1 1.454 0.01 . 1 . . . . A 5 ILE HB . 36151 1 40 . 1 . 1 5 5 ILE HG12 H 1 0.687 0.061 . . . . . . A 5 ILE HG12 . 36151 1 41 . 1 . 1 5 5 ILE HG13 H 1 0.291 0.007 . . . . . . A 5 ILE HG13 . 36151 1 42 . 1 . 1 5 5 ILE HG21 H 1 0.183 0.011 . 1 . . . . A 5 ILE HG21 . 36151 1 43 . 1 . 1 5 5 ILE HG22 H 1 0.183 0.011 . 1 . . . . A 5 ILE HG22 . 36151 1 44 . 1 . 1 5 5 ILE HG23 H 1 0.183 0.011 . 1 . . . . A 5 ILE HG23 . 36151 1 45 . 1 . 1 5 5 ILE HD11 H 1 -0.135 0.002 . 1 . . . . A 5 ILE HD11 . 36151 1 46 . 1 . 1 5 5 ILE HD12 H 1 -0.135 0.002 . 1 . . . . A 5 ILE HD12 . 36151 1 47 . 1 . 1 5 5 ILE HD13 H 1 -0.135 0.002 . 1 . . . . A 5 ILE HD13 . 36151 1 48 . 1 . 1 5 5 ILE CA C 13 57.241 0.107 . 1 . . . . A 5 ILE CA . 36151 1 49 . 1 . 1 5 5 ILE CB C 13 38.478 0.04 . 1 . . . . A 5 ILE CB . 36151 1 50 . 1 . 1 5 5 ILE CG1 C 13 26.761 0.042 . 1 . . . . A 5 ILE CG1 . 36151 1 51 . 1 . 1 5 5 ILE CG2 C 13 17.25 0.066 . 1 . . . . A 5 ILE CG2 . 36151 1 52 . 1 . 1 5 5 ILE CD1 C 13 12.062 0.062 . 1 . . . . A 5 ILE CD1 . 36151 1 53 . 1 . 1 5 5 ILE N N 15 125.51 0.016 . 1 . . . . A 5 ILE N . 36151 1 54 . 1 . 1 6 6 PRO HA H 1 4.365 0.008 . 1 . . . . A 6 PRO HA . 36151 1 55 . 1 . 1 6 6 PRO HB2 H 1 2.379 0.011 . . . . . . A 6 PRO HB2 . 36151 1 56 . 1 . 1 6 6 PRO HB3 H 1 2.022 0.01 . . . . . . A 6 PRO HB3 . 36151 1 57 . 1 . 1 6 6 PRO HG2 H 1 1.985 0.006 . . . . . . A 6 PRO HG2 . 36151 1 58 . 1 . 1 6 6 PRO HG3 H 1 1.985 0.006 . . . . . . A 6 PRO HG3 . 36151 1 59 . 1 . 1 6 6 PRO HD2 H 1 3.859 0.018 . . . . . . A 6 PRO HD2 . 36151 1 60 . 1 . 1 6 6 PRO HD3 H 1 3.859 0.018 . . . . . . A 6 PRO HD3 . 36151 1 61 . 1 . 1 6 6 PRO C C 13 175.311 0 . 1 . . . . A 6 PRO C . 36151 1 62 . 1 . 1 6 6 PRO CA C 13 63.061 0.115 . 1 . . . . A 6 PRO CA . 36151 1 63 . 1 . 1 6 6 PRO CB C 13 32.398 0.08 . 1 . . . . A 6 PRO CB . 36151 1 64 . 1 . 1 6 6 PRO CG C 13 27.181 0.059 . 1 . . . . A 6 PRO CG . 36151 1 65 . 1 . 1 6 6 PRO CD C 13 51.304 0.078 . 1 . . . . A 6 PRO CD . 36151 1 66 . 1 . 1 7 7 ASP H H 1 8.051 0.006 . 1 . . . . A 7 ASP H . 36151 1 67 . 1 . 1 7 7 ASP HA H 1 4.901 0.018 . 1 . . . . A 7 ASP HA . 36151 1 68 . 1 . 1 7 7 ASP HB2 H 1 2.717 0.01 . . . . . . A 7 ASP HB2 . 36151 1 69 . 1 . 1 7 7 ASP HB3 H 1 2.513 0.006 . . . . . . A 7 ASP HB3 . 36151 1 70 . 1 . 1 7 7 ASP CA C 13 54.143 0.12 . 1 . . . . A 7 ASP CA . 36151 1 71 . 1 . 1 7 7 ASP CB C 13 41.819 0.015 . 1 . . . . A 7 ASP CB . 36151 1 72 . 1 . 1 7 7 ASP N N 15 118.138 0.04 . 1 . . . . A 7 ASP N . 36151 1 73 . 1 . 1 8 8 VAL H H 1 8.753 0.003 . 1 . . . . A 8 VAL H . 36151 1 74 . 1 . 1 8 8 VAL HA H 1 4.413 0.014 . 1 . . . . A 8 VAL HA . 36151 1 75 . 1 . 1 8 8 VAL HB H 1 1.952 0.008 . 1 . . . . A 8 VAL HB . 36151 1 76 . 1 . 1 8 8 VAL HG11 H 1 0.843 0.006 . . . . . . A 8 VAL HG11 . 36151 1 77 . 1 . 1 8 8 VAL HG12 H 1 0.843 0.006 . . . . . . A 8 VAL HG12 . 36151 1 78 . 1 . 1 8 8 VAL HG13 H 1 0.843 0.006 . . . . . . A 8 VAL HG13 . 36151 1 79 . 1 . 1 8 8 VAL HG21 H 1 0.949 0.003 . . . . . . A 8 VAL HG21 . 36151 1 80 . 1 . 1 8 8 VAL HG22 H 1 0.949 0.003 . . . . . . A 8 VAL HG22 . 36151 1 81 . 1 . 1 8 8 VAL HG23 H 1 0.949 0.003 . . . . . . A 8 VAL HG23 . 36151 1 82 . 1 . 1 8 8 VAL C C 13 175.07 0 . 1 . . . . A 8 VAL C . 36151 1 83 . 1 . 1 8 8 VAL CA C 13 62.311 0.195 . 1 . . . . A 8 VAL CA . 36151 1 84 . 1 . 1 8 8 VAL CB C 13 34.164 0.013 . 1 . . . . A 8 VAL CB . 36151 1 85 . 1 . 1 8 8 VAL CG1 C 13 21.561 0 . . . . . . A 8 VAL CG1 . 36151 1 86 . 1 . 1 8 8 VAL CG2 C 13 21.561 0 . . . . . . A 8 VAL CG2 . 36151 1 87 . 1 . 1 8 8 VAL N N 15 121.634 0.023 . 1 . . . . A 8 VAL N . 36151 1 88 . 1 . 1 9 9 ARG H H 1 9.055 0.012 . 1 . . . . A 9 ARG H . 36151 1 89 . 1 . 1 9 9 ARG HA H 1 5.142 0.013 . 1 . . . . A 9 ARG HA . 36151 1 90 . 1 . 1 9 9 ARG HB2 H 1 1.797 0.015 . . . . . . A 9 ARG HB2 . 36151 1 91 . 1 . 1 9 9 ARG HB3 H 1 1.594 0.02 . . . . . . A 9 ARG HB3 . 36151 1 92 . 1 . 1 9 9 ARG HG2 H 1 1.39 0.007 . . . . . . A 9 ARG HG2 . 36151 1 93 . 1 . 1 9 9 ARG HG3 H 1 1.358 0.013 . . . . . . A 9 ARG HG3 . 36151 1 94 . 1 . 1 9 9 ARG HD2 H 1 3.121 0.017 . . . . . . A 9 ARG HD2 . 36151 1 95 . 1 . 1 9 9 ARG HD3 H 1 3.121 0.017 . . . . . . A 9 ARG HD3 . 36151 1 96 . 1 . 1 9 9 ARG C C 13 174.79 0 . 1 . . . . A 9 ARG C . 36151 1 97 . 1 . 1 9 9 ARG CA C 13 55.628 0.105 . 1 . . . . A 9 ARG CA . 36151 1 98 . 1 . 1 9 9 ARG CB C 13 32.463 0.08 . 1 . . . . A 9 ARG CB . 36151 1 99 . 1 . 1 9 9 ARG CG C 13 28.89 0.101 . 1 . . . . A 9 ARG CG . 36151 1 100 . 1 . 1 9 9 ARG N N 15 129.673 0.031 . 1 . . . . A 9 ARG N . 36151 1 101 . 1 . 1 10 10 LYS H H 1 8.592 0.013 . 1 . . . . A 10 LYS H . 36151 1 102 . 1 . 1 10 10 LYS HA H 1 4.707 0.01 . 1 . . . . A 10 LYS HA . 36151 1 103 . 1 . 1 10 10 LYS HB2 H 1 2.05 0.036 . . . . . . A 10 LYS HB2 . 36151 1 104 . 1 . 1 10 10 LYS HB3 H 1 1.479 0.004 . . . . . . A 10 LYS HB3 . 36151 1 105 . 1 . 1 10 10 LYS C C 13 174.167 0 . 1 . . . . A 10 LYS C . 36151 1 106 . 1 . 1 10 10 LYS CA C 13 54.388 0.115 . 1 . . . . A 10 LYS CA . 36151 1 107 . 1 . 1 10 10 LYS CB C 13 38.608 0.028 . 1 . . . . A 10 LYS CB . 36151 1 108 . 1 . 1 10 10 LYS N N 15 123.329 0.058 . 1 . . . . A 10 LYS N . 36151 1 109 . 1 . 1 11 11 SER H H 1 8.598 0.006 . 1 . . . . A 11 SER H . 36151 1 110 . 1 . 1 11 11 SER HA H 1 5.628 0.004 . 1 . . . . A 11 SER HA . 36151 1 111 . 1 . 1 11 11 SER HB2 H 1 3.651 0.026 . . . . . . A 11 SER HB2 . 36151 1 112 . 1 . 1 11 11 SER HB3 H 1 3.534 0.009 . . . . . . A 11 SER HB3 . 36151 1 113 . 1 . 1 11 11 SER C C 13 172.884 0 . 1 . . . . A 11 SER C . 36151 1 114 . 1 . 1 11 11 SER CA C 13 56.818 0.063 . 1 . . . . A 11 SER CA . 36151 1 115 . 1 . 1 11 11 SER CB C 13 67.29 0.077 . 1 . . . . A 11 SER CB . 36151 1 116 . 1 . 1 11 11 SER N N 15 112.398 0.031 . 1 . . . . A 11 SER N . 36151 1 117 . 1 . 1 12 12 VAL H H 1 8.658 0.007 . 1 . . . . A 12 VAL H . 36151 1 118 . 1 . 1 12 12 VAL HA H 1 4.465 0.014 . 1 . . . . A 12 VAL HA . 36151 1 119 . 1 . 1 12 12 VAL HB H 1 1.95 0.017 . 1 . . . . A 12 VAL HB . 36151 1 120 . 1 . 1 12 12 VAL HG11 H 1 0.9 0.009 . . . . . . A 12 VAL HG11 . 36151 1 121 . 1 . 1 12 12 VAL HG12 H 1 0.9 0.009 . . . . . . A 12 VAL HG12 . 36151 1 122 . 1 . 1 12 12 VAL HG13 H 1 0.9 0.009 . . . . . . A 12 VAL HG13 . 36151 1 123 . 1 . 1 12 12 VAL HG21 H 1 0.98 0.005 . . . . . . A 12 VAL HG21 . 36151 1 124 . 1 . 1 12 12 VAL HG22 H 1 0.98 0.005 . . . . . . A 12 VAL HG22 . 36151 1 125 . 1 . 1 12 12 VAL HG23 H 1 0.98 0.005 . . . . . . A 12 VAL HG23 . 36151 1 126 . 1 . 1 12 12 VAL C C 13 170.785 0 . 1 . . . . A 12 VAL C . 36151 1 127 . 1 . 1 12 12 VAL CA C 13 60.305 0.061 . 1 . . . . A 12 VAL CA . 36151 1 128 . 1 . 1 12 12 VAL CB C 13 35.55 0.067 . 1 . . . . A 12 VAL CB . 36151 1 129 . 1 . 1 12 12 VAL CG1 C 13 21.734 0.124 . . . . . . A 12 VAL CG1 . 36151 1 130 . 1 . 1 12 12 VAL CG2 C 13 21.734 0.124 . . . . . . A 12 VAL CG2 . 36151 1 131 . 1 . 1 12 12 VAL N N 15 118.742 0.056 . 1 . . . . A 12 VAL N . 36151 1 132 . 1 . 1 13 13 VAL H H 1 8.246 0.006 . 1 . . . . A 13 VAL H . 36151 1 133 . 1 . 1 13 13 VAL HA H 1 5.079 0.007 . 1 . . . . A 13 VAL HA . 36151 1 134 . 1 . 1 13 13 VAL HB H 1 1.851 0.008 . 1 . . . . A 13 VAL HB . 36151 1 135 . 1 . 1 13 13 VAL HG11 H 1 0.768 0.002 . . . . . . A 13 VAL HG11 . 36151 1 136 . 1 . 1 13 13 VAL HG12 H 1 0.768 0.002 . . . . . . A 13 VAL HG12 . 36151 1 137 . 1 . 1 13 13 VAL HG13 H 1 0.768 0.002 . . . . . . A 13 VAL HG13 . 36151 1 138 . 1 . 1 13 13 VAL HG21 H 1 0.864 0.003 . . . . . . A 13 VAL HG21 . 36151 1 139 . 1 . 1 13 13 VAL HG22 H 1 0.864 0.003 . . . . . . A 13 VAL HG22 . 36151 1 140 . 1 . 1 13 13 VAL HG23 H 1 0.864 0.003 . . . . . . A 13 VAL HG23 . 36151 1 141 . 1 . 1 13 13 VAL C C 13 175.139 0 . 1 . . . . A 13 VAL C . 36151 1 142 . 1 . 1 13 13 VAL CA C 13 61.318 0.191 . 1 . . . . A 13 VAL CA . 36151 1 143 . 1 . 1 13 13 VAL CB C 13 32.597 0.107 . 1 . . . . A 13 VAL CB . 36151 1 144 . 1 . 1 13 13 VAL CG1 C 13 21.513 0.067 . . . . . . A 13 VAL CG1 . 36151 1 145 . 1 . 1 13 13 VAL CG2 C 13 21.513 0.067 . . . . . . A 13 VAL CG2 . 36151 1 146 . 1 . 1 13 13 VAL N N 15 126.401 0.031 . 1 . . . . A 13 VAL N . 36151 1 147 . 1 . 1 14 14 VAL H H 1 9.181 0.002 . 1 . . . . A 14 VAL H . 36151 1 148 . 1 . 1 14 14 VAL HA H 1 4.696 0.009 . 1 . . . . A 14 VAL HA . 36151 1 149 . 1 . 1 14 14 VAL HB H 1 2.043 0.002 . 1 . . . . A 14 VAL HB . 36151 1 150 . 1 . 1 14 14 VAL HG11 H 1 0.882 0.002 . . . . . . A 14 VAL HG11 . 36151 1 151 . 1 . 1 14 14 VAL HG12 H 1 0.882 0.002 . . . . . . A 14 VAL HG12 . 36151 1 152 . 1 . 1 14 14 VAL HG13 H 1 0.882 0.002 . . . . . . A 14 VAL HG13 . 36151 1 153 . 1 . 1 14 14 VAL HG21 H 1 0.935 0.004 . . . . . . A 14 VAL HG21 . 36151 1 154 . 1 . 1 14 14 VAL HG22 H 1 0.935 0.004 . . . . . . A 14 VAL HG22 . 36151 1 155 . 1 . 1 14 14 VAL HG23 H 1 0.935 0.004 . . . . . . A 14 VAL HG23 . 36151 1 156 . 1 . 1 14 14 VAL C C 13 175.001 0 . 1 . . . . A 14 VAL C . 36151 1 157 . 1 . 1 14 14 VAL CA C 13 58.403 0.087 . 1 . . . . A 14 VAL CA . 36151 1 158 . 1 . 1 14 14 VAL CB C 13 35.235 0.019 . 1 . . . . A 14 VAL CB . 36151 1 159 . 1 . 1 14 14 VAL CG1 C 13 22.457 0 . . . . . . A 14 VAL CG1 . 36151 1 160 . 1 . 1 14 14 VAL CG2 C 13 20.945 0.204 . . . . . . A 14 VAL CG2 . 36151 1 161 . 1 . 1 14 14 VAL N N 15 120.183 0.054 . 1 . . . . A 14 VAL N . 36151 1 162 . 1 . 1 15 15 ALA H H 1 8.703 0.007 . 1 . . . . A 15 ALA H . 36151 1 163 . 1 . 1 15 15 ALA HA H 1 4.514 0.003 . 1 . . . . A 15 ALA HA . 36151 1 164 . 1 . 1 15 15 ALA HB1 H 1 1.274 0.008 . 1 . . . . A 15 ALA HB1 . 36151 1 165 . 1 . 1 15 15 ALA HB2 H 1 1.274 0.008 . 1 . . . . A 15 ALA HB2 . 36151 1 166 . 1 . 1 15 15 ALA HB3 H 1 1.274 0.008 . 1 . . . . A 15 ALA HB3 . 36151 1 167 . 1 . 1 15 15 ALA C C 13 175.501 0 . 1 . . . . A 15 ALA C . 36151 1 168 . 1 . 1 15 15 ALA CA C 13 51.264 0.142 . 1 . . . . A 15 ALA CA . 36151 1 169 . 1 . 1 15 15 ALA CB C 13 16.951 0.026 . 1 . . . . A 15 ALA CB . 36151 1 170 . 1 . 1 15 15 ALA N N 15 128.244 0.057 . 1 . . . . A 15 ALA N . 36151 1 171 . 1 . 1 16 16 ALA H H 1 7.626 0.007 . 1 . . . . A 16 ALA H . 36151 1 172 . 1 . 1 16 16 ALA HA H 1 4.496 0.007 . 1 . . . . A 16 ALA HA . 36151 1 173 . 1 . 1 16 16 ALA HB1 H 1 1.357 0.005 . 1 . . . . A 16 ALA HB1 . 36151 1 174 . 1 . 1 16 16 ALA HB2 H 1 1.357 0.005 . 1 . . . . A 16 ALA HB2 . 36151 1 175 . 1 . 1 16 16 ALA HB3 H 1 1.357 0.005 . 1 . . . . A 16 ALA HB3 . 36151 1 176 . 1 . 1 16 16 ALA C C 13 175.919 0 . 1 . . . . A 16 ALA C . 36151 1 177 . 1 . 1 16 16 ALA CA C 13 50.938 0.001 . 1 . . . . A 16 ALA CA . 36151 1 178 . 1 . 1 16 16 ALA CB C 13 23.097 0.155 . 1 . . . . A 16 ALA CB . 36151 1 179 . 1 . 1 16 16 ALA N N 15 121.495 0.045 . 1 . . . . A 16 ALA N . 36151 1 180 . 1 . 1 17 17 SER H H 1 8.834 0.004 . 1 . . . . A 17 SER H . 36151 1 181 . 1 . 1 17 17 SER HA H 1 4.382 0.007 . 1 . . . . A 17 SER HA . 36151 1 182 . 1 . 1 17 17 SER HB2 H 1 4.043 0.005 . . . . . . A 17 SER HB2 . 36151 1 183 . 1 . 1 17 17 SER HB3 H 1 4.043 0.005 . . . . . . A 17 SER HB3 . 36151 1 184 . 1 . 1 17 17 SER C C 13 175.062 0 . 1 . . . . A 17 SER C . 36151 1 185 . 1 . 1 17 17 SER CA C 13 57.377 0.073 . 1 . . . . A 17 SER CA . 36151 1 186 . 1 . 1 17 17 SER CB C 13 65.293 0.05 . 1 . . . . A 17 SER CB . 36151 1 187 . 1 . 1 17 17 SER N N 15 116.773 0.049 . 1 . . . . A 17 SER N . 36151 1 188 . 1 . 1 18 18 VAL H H 1 8.584 0.008 . 1 . . . . A 18 VAL H . 36151 1 189 . 1 . 1 18 18 VAL HA H 1 3.711 0.008 . 1 . . . . A 18 VAL HA . 36151 1 190 . 1 . 1 18 18 VAL HB H 1 1.937 0.009 . 1 . . . . A 18 VAL HB . 36151 1 191 . 1 . 1 18 18 VAL HG11 H 1 0.857 0.016 . . . . . . A 18 VAL HG11 . 36151 1 192 . 1 . 1 18 18 VAL HG12 H 1 0.857 0.016 . . . . . . A 18 VAL HG12 . 36151 1 193 . 1 . 1 18 18 VAL HG13 H 1 0.857 0.016 . . . . . . A 18 VAL HG13 . 36151 1 194 . 1 . 1 18 18 VAL HG21 H 1 0.932 0.014 . . . . . . A 18 VAL HG21 . 36151 1 195 . 1 . 1 18 18 VAL HG22 H 1 0.932 0.014 . . . . . . A 18 VAL HG22 . 36151 1 196 . 1 . 1 18 18 VAL HG23 H 1 0.932 0.014 . . . . . . A 18 VAL HG23 . 36151 1 197 . 1 . 1 18 18 VAL C C 13 177.364 0 . 1 . . . . A 18 VAL C . 36151 1 198 . 1 . 1 18 18 VAL CA C 13 66.429 0.071 . 1 . . . . A 18 VAL CA . 36151 1 199 . 1 . 1 18 18 VAL CB C 13 31.484 0.028 . 1 . . . . A 18 VAL CB . 36151 1 200 . 1 . 1 18 18 VAL CG1 C 13 21.868 0.064 . . . . . . A 18 VAL CG1 . 36151 1 201 . 1 . 1 18 18 VAL CG2 C 13 21.868 0.064 . . . . . . A 18 VAL CG2 . 36151 1 202 . 1 . 1 18 18 VAL N N 15 122.709 0.017 . 1 . . . . A 18 VAL N . 36151 1 203 . 1 . 1 19 19 GLU H H 1 8.871 0.014 . 1 . . . . A 19 GLU H . 36151 1 204 . 1 . 1 19 19 GLU HA H 1 3.712 0.004 . 1 . . . . A 19 GLU HA . 36151 1 205 . 1 . 1 19 19 GLU HB2 H 1 1.998 0.029 . . . . . . A 19 GLU HB2 . 36151 1 206 . 1 . 1 19 19 GLU HB3 H 1 1.856 0.003 . . . . . . A 19 GLU HB3 . 36151 1 207 . 1 . 1 19 19 GLU HG2 H 1 2.017 0.005 . . . . . . A 19 GLU HG2 . 36151 1 208 . 1 . 1 19 19 GLU HG3 H 1 2.017 0.005 . . . . . . A 19 GLU HG3 . 36151 1 209 . 1 . 1 19 19 GLU C C 13 179.226 0 . 1 . . . . A 19 GLU C . 36151 1 210 . 1 . 1 19 19 GLU CA C 13 60.659 0.064 . 1 . . . . A 19 GLU CA . 36151 1 211 . 1 . 1 19 19 GLU CB C 13 27.895 0 . 1 . . . . A 19 GLU CB . 36151 1 212 . 1 . 1 19 19 GLU CG C 13 37.281 0.081 . 1 . . . . A 19 GLU CG . 36151 1 213 . 1 . 1 19 19 GLU N N 15 118.196 0.059 . 1 . . . . A 19 GLU N . 36151 1 214 . 1 . 1 20 20 HIS H H 1 7.946 0.012 . 1 . . . . A 20 HIS H . 36151 1 215 . 1 . 1 20 20 HIS HA H 1 4.46 0.008 . 1 . . . . A 20 HIS HA . 36151 1 216 . 1 . 1 20 20 HIS HB2 H 1 3.207 0.007 . . . . . . A 20 HIS HB2 . 36151 1 217 . 1 . 1 20 20 HIS HB3 H 1 3.108 0.002 . . . . . . A 20 HIS HB3 . 36151 1 218 . 1 . 1 20 20 HIS HD1 H 1 10.735 0 . 1 . . . . A 20 HIS HD1 . 36151 1 219 . 1 . 1 20 20 HIS HD2 H 1 6.736 0.012 . 1 . . . . A 20 HIS HD2 . 36151 1 220 . 1 . 1 20 20 HIS HE1 H 1 7.883 0.004 . 1 . . . . A 20 HIS HE1 . 36151 1 221 . 1 . 1 20 20 HIS C C 13 177.15 0 . 1 . . . . A 20 HIS C . 36151 1 222 . 1 . 1 20 20 HIS CA C 13 58.839 0.078 . 1 . . . . A 20 HIS CA . 36151 1 223 . 1 . 1 20 20 HIS CB C 13 30.89 0.075 . 1 . . . . A 20 HIS CB . 36151 1 224 . 1 . 1 20 20 HIS CD2 C 13 113.196 0.029 . 1 . . . . A 20 HIS CD2 . 36151 1 225 . 1 . 1 20 20 HIS CE1 C 13 133.663 0.041 . 1 . . . . A 20 HIS CE1 . 36151 1 226 . 1 . 1 20 20 HIS N N 15 121.087 0.087 . 1 . . . . A 20 HIS N . 36151 1 227 . 1 . 1 21 21 CYS H H 1 8.436 0.007 . 1 . . . . A 21 CYS H . 36151 1 228 . 1 . 1 21 21 CYS HA H 1 3.927 0.007 . 1 . . . . A 21 CYS HA . 36151 1 229 . 1 . 1 21 21 CYS HB2 H 1 3.19 0.009 . . . . . . A 21 CYS HB2 . 36151 1 230 . 1 . 1 21 21 CYS HB3 H 1 2.627 0.009 . . . . . . A 21 CYS HB3 . 36151 1 231 . 1 . 1 21 21 CYS C C 13 176.123 0 . 1 . . . . A 21 CYS C . 36151 1 232 . 1 . 1 21 21 CYS CA C 13 64.786 0.112 . 1 . . . . A 21 CYS CA . 36151 1 233 . 1 . 1 21 21 CYS CB C 13 27.211 0.096 . 1 . . . . A 21 CYS CB . 36151 1 234 . 1 . 1 21 21 CYS N N 15 116.033 0.045 . 1 . . . . A 21 CYS N . 36151 1 235 . 1 . 1 22 22 PHE H H 1 8.297 0.001 . 1 . . . . A 22 PHE H . 36151 1 236 . 1 . 1 22 22 PHE HA H 1 2.713 0.005 . 1 . . . . A 22 PHE HA . 36151 1 237 . 1 . 1 22 22 PHE HB2 H 1 2.577 0.044 . . . . . . A 22 PHE HB2 . 36151 1 238 . 1 . 1 22 22 PHE HB3 H 1 2.577 0.044 . . . . . . A 22 PHE HB3 . 36151 1 239 . 1 . 1 22 22 PHE HD1 H 1 6.335 0.059 . . . . . . A 22 PHE HD1 . 36151 1 240 . 1 . 1 22 22 PHE HD2 H 1 6.335 0.059 . . . . . . A 22 PHE HD2 . 36151 1 241 . 1 . 1 22 22 PHE HE1 H 1 6.554 0.006 . . . . . . A 22 PHE HE1 . 36151 1 242 . 1 . 1 22 22 PHE HE2 H 1 6.554 0.006 . . . . . . A 22 PHE HE2 . 36151 1 243 . 1 . 1 22 22 PHE HZ H 1 5.211 0.006 . 1 . . . . A 22 PHE HZ . 36151 1 244 . 1 . 1 22 22 PHE C C 13 178.887 0 . 1 . . . . A 22 PHE C . 36151 1 245 . 1 . 1 22 22 PHE CA C 13 61.823 0.071 . 1 . . . . A 22 PHE CA . 36151 1 246 . 1 . 1 22 22 PHE CB C 13 38.164 0.001 . 1 . . . . A 22 PHE CB . 36151 1 247 . 1 . 1 22 22 PHE CD1 C 13 127.012 0.024 . . . . . . A 22 PHE CD1 . 36151 1 248 . 1 . 1 22 22 PHE CD2 C 13 127.012 0.024 . . . . . . A 22 PHE CD2 . 36151 1 249 . 1 . 1 22 22 PHE CE1 C 13 126.005 0.069 . . . . . . A 22 PHE CE1 . 36151 1 250 . 1 . 1 22 22 PHE CE2 C 13 126.005 0.069 . . . . . . A 22 PHE CE2 . 36151 1 251 . 1 . 1 22 22 PHE CZ C 13 123.849 0.03 . 1 . . . . A 22 PHE CZ . 36151 1 252 . 1 . 1 22 22 PHE N N 15 120.463 0.057 . 1 . . . . A 22 PHE N . 36151 1 253 . 1 . 1 23 23 GLU H H 1 7.977 0.001 . 1 . . . . A 23 GLU H . 36151 1 254 . 1 . 1 23 23 GLU HA H 1 3.952 0.013 . 1 . . . . A 23 GLU HA . 36151 1 255 . 1 . 1 23 23 GLU HB2 H 1 2.208 0.006 . . . . . . A 23 GLU HB2 . 36151 1 256 . 1 . 1 23 23 GLU HB3 H 1 2.208 0.006 . . . . . . A 23 GLU HB3 . 36151 1 257 . 1 . 1 23 23 GLU HG2 H 1 2.31 0.003 . . . . . . A 23 GLU HG2 . 36151 1 258 . 1 . 1 23 23 GLU HG3 H 1 2.212 0.002 . . . . . . A 23 GLU HG3 . 36151 1 259 . 1 . 1 23 23 GLU C C 13 179.216 0 . 1 . . . . A 23 GLU C . 36151 1 260 . 1 . 1 23 23 GLU CA C 13 59.738 0.071 . 1 . . . . A 23 GLU CA . 36151 1 261 . 1 . 1 23 23 GLU CB C 13 29.552 0.039 . 1 . . . . A 23 GLU CB . 36151 1 262 . 1 . 1 23 23 GLU CG C 13 36.004 0.1 . 1 . . . . A 23 GLU CG . 36151 1 263 . 1 . 1 23 23 GLU N N 15 120.915 0.058 . 1 . . . . A 23 GLU N . 36151 1 264 . 1 . 1 24 24 VAL H H 1 8.705 0.014 . 1 . . . . A 24 VAL H . 36151 1 265 . 1 . 1 24 24 VAL HA H 1 3.475 0.025 . 1 . . . . A 24 VAL HA . 36151 1 266 . 1 . 1 24 24 VAL HB H 1 1.854 0.004 . 1 . . . . A 24 VAL HB . 36151 1 267 . 1 . 1 24 24 VAL HG11 H 1 0.647 0.006 . . . . . . A 24 VAL HG11 . 36151 1 268 . 1 . 1 24 24 VAL HG12 H 1 0.647 0.006 . . . . . . A 24 VAL HG12 . 36151 1 269 . 1 . 1 24 24 VAL HG13 H 1 0.647 0.006 . . . . . . A 24 VAL HG13 . 36151 1 270 . 1 . 1 24 24 VAL HG21 H 1 0.78 0.017 . . . . . . A 24 VAL HG21 . 36151 1 271 . 1 . 1 24 24 VAL HG22 H 1 0.78 0.017 . . . . . . A 24 VAL HG22 . 36151 1 272 . 1 . 1 24 24 VAL HG23 H 1 0.78 0.017 . . . . . . A 24 VAL HG23 . 36151 1 273 . 1 . 1 24 24 VAL C C 13 178.319 0 . 1 . . . . A 24 VAL C . 36151 1 274 . 1 . 1 24 24 VAL CA C 13 67.335 0.109 . 1 . . . . A 24 VAL CA . 36151 1 275 . 1 . 1 24 24 VAL CB C 13 31.573 0.098 . 1 . . . . A 24 VAL CB . 36151 1 276 . 1 . 1 24 24 VAL CG1 C 13 23.394 0.055 . . . . . . A 24 VAL CG1 . 36151 1 277 . 1 . 1 24 24 VAL CG2 C 13 23.394 0.055 . . . . . . A 24 VAL CG2 . 36151 1 278 . 1 . 1 24 24 VAL N N 15 122.421 0.047 . 1 . . . . A 24 VAL N . 36151 1 279 . 1 . 1 25 25 PHE H H 1 8.57 0 . 1 . . . . A 25 PHE H . 36151 1 280 . 1 . 1 25 25 PHE HA H 1 4.068 0.008 . 1 . . . . A 25 PHE HA . 36151 1 281 . 1 . 1 25 25 PHE HB2 H 1 2.859 0.017 . . . . . . A 25 PHE HB2 . 36151 1 282 . 1 . 1 25 25 PHE HB3 H 1 2.636 0.01 . . . . . . A 25 PHE HB3 . 36151 1 283 . 1 . 1 25 25 PHE HD1 H 1 5.766 0.005 . . . . . . A 25 PHE HD1 . 36151 1 284 . 1 . 1 25 25 PHE HD2 H 1 5.766 0.005 . . . . . . A 25 PHE HD2 . 36151 1 285 . 1 . 1 25 25 PHE HE1 H 1 6.183 0.024 . . . . . . A 25 PHE HE1 . 36151 1 286 . 1 . 1 25 25 PHE HE2 H 1 6.183 0.024 . . . . . . A 25 PHE HE2 . 36151 1 287 . 1 . 1 25 25 PHE HZ H 1 6.953 0.048 . 1 . . . . A 25 PHE HZ . 36151 1 288 . 1 . 1 25 25 PHE C C 13 176.312 0 . 1 . . . . A 25 PHE C . 36151 1 289 . 1 . 1 25 25 PHE CA C 13 61.468 0.051 . 1 . . . . A 25 PHE CA . 36151 1 290 . 1 . 1 25 25 PHE CB C 13 39.8 0.097 . 1 . . . . A 25 PHE CB . 36151 1 291 . 1 . 1 25 25 PHE CD1 C 13 126.487 0.024 . . . . . . A 25 PHE CD1 . 36151 1 292 . 1 . 1 25 25 PHE CD2 C 13 126.487 0.024 . . . . . . A 25 PHE CD2 . 36151 1 293 . 1 . 1 25 25 PHE CE1 C 13 124.782 0.022 . . . . . . A 25 PHE CE1 . 36151 1 294 . 1 . 1 25 25 PHE CE2 C 13 124.782 0.022 . . . . . . A 25 PHE CE2 . 36151 1 295 . 1 . 1 25 25 PHE CZ C 13 123.425 0.201 . 1 . . . . A 25 PHE CZ . 36151 1 296 . 1 . 1 25 25 PHE N N 15 119.829 0.093 . 1 . . . . A 25 PHE N . 36151 1 297 . 1 . 1 26 26 THR H H 1 7.587 0.014 . 1 . . . . A 26 THR H . 36151 1 298 . 1 . 1 26 26 THR HA H 1 4.171 0.003 . 1 . . . . A 26 THR HA . 36151 1 299 . 1 . 1 26 26 THR HB H 1 4.203 0.052 . 1 . . . . A 26 THR HB . 36151 1 300 . 1 . 1 26 26 THR HG21 H 1 0.194 0.009 . 1 . . . . A 26 THR HG21 . 36151 1 301 . 1 . 1 26 26 THR HG22 H 1 0.194 0.009 . 1 . . . . A 26 THR HG22 . 36151 1 302 . 1 . 1 26 26 THR HG23 H 1 0.194 0.009 . 1 . . . . A 26 THR HG23 . 36151 1 303 . 1 . 1 26 26 THR C C 13 177.317 0 . 1 . . . . A 26 THR C . 36151 1 304 . 1 . 1 26 26 THR CA C 13 62.979 0.027 . 1 . . . . A 26 THR CA . 36151 1 305 . 1 . 1 26 26 THR CB C 13 71.184 0.034 . 1 . . . . A 26 THR CB . 36151 1 306 . 1 . 1 26 26 THR CG2 C 13 23.006 0.129 . 1 . . . . A 26 THR CG2 . 36151 1 307 . 1 . 1 26 26 THR N N 15 99.652 0.044 . 1 . . . . A 26 THR N . 36151 1 308 . 1 . 1 27 27 SER H H 1 8.936 0.01 . 1 . . . . A 27 SER H . 36151 1 309 . 1 . 1 27 27 SER HA H 1 4.953 0.004 . 1 . . . . A 27 SER HA . 36151 1 310 . 1 . 1 27 27 SER HB2 H 1 4.188 0.004 . . . . . . A 27 SER HB2 . 36151 1 311 . 1 . 1 27 27 SER HB3 H 1 4.085 0.003 . . . . . . A 27 SER HB3 . 36151 1 312 . 1 . 1 27 27 SER C C 13 175.311 0 . 1 . . . . A 27 SER C . 36151 1 313 . 1 . 1 27 27 SER CA C 13 60.169 0.065 . 1 . . . . A 27 SER CA . 36151 1 314 . 1 . 1 27 27 SER CB C 13 64.721 0.044 . 1 . . . . A 27 SER CB . 36151 1 315 . 1 . 1 27 27 SER N N 15 117.495 0.056 . 1 . . . . A 27 SER N . 36151 1 316 . 1 . 1 28 28 ARG H H 1 7.668 0.007 . 1 . . . . A 28 ARG H . 36151 1 317 . 1 . 1 28 28 ARG HA H 1 5.149 0.005 . 1 . . . . A 28 ARG HA . 36151 1 318 . 1 . 1 28 28 ARG HB2 H 1 2.568 0.005 . . . . . . A 28 ARG HB2 . 36151 1 319 . 1 . 1 28 28 ARG HB3 H 1 2.568 0.005 . . . . . . A 28 ARG HB3 . 36151 1 320 . 1 . 1 28 28 ARG HG2 H 1 1.882 0.082 . . . . . . A 28 ARG HG2 . 36151 1 321 . 1 . 1 28 28 ARG HG3 H 1 1.681 0.015 . . . . . . A 28 ARG HG3 . 36151 1 322 . 1 . 1 28 28 ARG HD2 H 1 3.385 0.018 . . . . . . A 28 ARG HD2 . 36151 1 323 . 1 . 1 28 28 ARG HD3 H 1 3.062 0.007 . . . . . . A 28 ARG HD3 . 36151 1 324 . 1 . 1 28 28 ARG CA C 13 54.57 0.099 . 1 . . . . A 28 ARG CA . 36151 1 325 . 1 . 1 28 28 ARG CB C 13 30.636 0.041 . 1 . . . . A 28 ARG CB . 36151 1 326 . 1 . 1 28 28 ARG CG C 13 25.882 0.033 . 1 . . . . A 28 ARG CG . 36151 1 327 . 1 . 1 28 28 ARG CD C 13 44.276 0.086 . 1 . . . . A 28 ARG CD . 36151 1 328 . 1 . 1 28 28 ARG N N 15 120.678 0.063 . 1 . . . . A 28 ARG N . 36151 1 329 . 1 . 1 29 29 PRO HA H 1 3.443 0.006 . 1 . . . . A 29 PRO HA . 36151 1 330 . 1 . 1 29 29 PRO HB2 H 1 2.121 0.007 . . . . . . A 29 PRO HB2 . 36151 1 331 . 1 . 1 29 29 PRO HB3 H 1 2.121 0.007 . . . . . . A 29 PRO HB3 . 36151 1 332 . 1 . 1 29 29 PRO HG2 H 1 1.633 0.002 . . . . . . A 29 PRO HG2 . 36151 1 333 . 1 . 1 29 29 PRO HG3 H 1 1.305 0.005 . . . . . . A 29 PRO HG3 . 36151 1 334 . 1 . 1 29 29 PRO C C 13 177.338 0 . 1 . . . . A 29 PRO C . 36151 1 335 . 1 . 1 29 29 PRO CA C 13 64.781 0.054 . 1 . . . . A 29 PRO CA . 36151 1 336 . 1 . 1 29 29 PRO CB C 13 30.274 0.044 . 1 . . . . A 29 PRO CB . 36151 1 337 . 1 . 1 30 30 ALA H H 1 8.604 0.009 . 1 . . . . A 30 ALA H . 36151 1 338 . 1 . 1 30 30 ALA HA H 1 3.551 0.013 . 1 . . . . A 30 ALA HA . 36151 1 339 . 1 . 1 30 30 ALA HB1 H 1 1.139 0.002 . 1 . . . . A 30 ALA HB1 . 36151 1 340 . 1 . 1 30 30 ALA HB2 H 1 1.139 0.002 . 1 . . . . A 30 ALA HB2 . 36151 1 341 . 1 . 1 30 30 ALA HB3 H 1 1.139 0.002 . 1 . . . . A 30 ALA HB3 . 36151 1 342 . 1 . 1 30 30 ALA C C 13 178.563 0 . 1 . . . . A 30 ALA C . 36151 1 343 . 1 . 1 30 30 ALA CA C 13 54.211 0.037 . 1 . . . . A 30 ALA CA . 36151 1 344 . 1 . 1 30 30 ALA CB C 13 17.846 0.101 . 1 . . . . A 30 ALA CB . 36151 1 345 . 1 . 1 30 30 ALA N N 15 117.906 0.057 . 1 . . . . A 30 ALA N . 36151 1 346 . 1 . 1 31 31 ASP H H 1 7.693 0.01 . 1 . . . . A 31 ASP H . 36151 1 347 . 1 . 1 31 31 ASP HA H 1 4.492 0.006 . 1 . . . . A 31 ASP HA . 36151 1 348 . 1 . 1 31 31 ASP HB2 H 1 2.781 0.022 . . . . . . A 31 ASP HB2 . 36151 1 349 . 1 . 1 31 31 ASP HB3 H 1 2.781 0.022 . . . . . . A 31 ASP HB3 . 36151 1 350 . 1 . 1 31 31 ASP C C 13 175.654 0 . 1 . . . . A 31 ASP C . 36151 1 351 . 1 . 1 31 31 ASP CA C 13 56.526 0.032 . 1 . . . . A 31 ASP CA . 36151 1 352 . 1 . 1 31 31 ASP CB C 13 40.386 0 . 1 . . . . A 31 ASP CB . 36151 1 353 . 1 . 1 31 31 ASP N N 15 115.663 0.058 . 1 . . . . A 31 ASP N . 36151 1 354 . 1 . 1 32 32 TRP H H 1 6.551 0 . 1 . . . . A 32 TRP H . 36151 1 355 . 1 . 1 32 32 TRP HA H 1 4.811 0.007 . 1 . . . . A 32 TRP HA . 36151 1 356 . 1 . 1 32 32 TRP HB2 H 1 3.557 0.015 . . . . . . A 32 TRP HB2 . 36151 1 357 . 1 . 1 32 32 TRP HB3 H 1 2.786 0.011 . . . . . . A 32 TRP HB3 . 36151 1 358 . 1 . 1 32 32 TRP HD1 H 1 6.762 0.007 . 1 . . . . A 32 TRP HD1 . 36151 1 359 . 1 . 1 32 32 TRP HE1 H 1 11.641 0 . 1 . . . . A 32 TRP HE1 . 36151 1 360 . 1 . 1 32 32 TRP HE3 H 1 6.979 0.009 . 1 . . . . A 32 TRP HE3 . 36151 1 361 . 1 . 1 32 32 TRP HZ2 H 1 7.367 0.017 . 1 . . . . A 32 TRP HZ2 . 36151 1 362 . 1 . 1 32 32 TRP HZ3 H 1 6.223 0.024 . 1 . . . . A 32 TRP HZ3 . 36151 1 363 . 1 . 1 32 32 TRP HH2 H 1 6.535 0.008 . 1 . . . . A 32 TRP HH2 . 36151 1 364 . 1 . 1 32 32 TRP C C 13 175.174 0 . 1 . . . . A 32 TRP C . 36151 1 365 . 1 . 1 32 32 TRP CA C 13 55.235 0 . 1 . . . . A 32 TRP CA . 36151 1 366 . 1 . 1 32 32 TRP CB C 13 30.941 0.084 . 1 . . . . A 32 TRP CB . 36151 1 367 . 1 . 1 32 32 TRP CD1 C 13 121.136 0.057 . 1 . . . . A 32 TRP CD1 . 36151 1 368 . 1 . 1 32 32 TRP CE3 C 13 109.428 0.047 . 1 . . . . A 32 TRP CE3 . 36151 1 369 . 1 . 1 32 32 TRP CZ2 C 13 123.047 0.057 . 1 . . . . A 32 TRP CZ2 . 36151 1 370 . 1 . 1 32 32 TRP CZ3 C 13 119.857 0.082 . 1 . . . . A 32 TRP CZ3 . 36151 1 371 . 1 . 1 32 32 TRP CH2 C 13 121.719 0.065 . 1 . . . . A 32 TRP CH2 . 36151 1 372 . 1 . 1 32 32 TRP N N 15 112.491 0.055 . 1 . . . . A 32 TRP N . 36151 1 373 . 1 . 1 33 33 TRP H H 1 7.867 0.008 . 1 . . . . A 33 TRP H . 36151 1 374 . 1 . 1 33 33 TRP HA H 1 3.874 0.019 . 1 . . . . A 33 TRP HA . 36151 1 375 . 1 . 1 33 33 TRP HB2 H 1 3.522 0.015 . . . . . . A 33 TRP HB2 . 36151 1 376 . 1 . 1 33 33 TRP HB3 H 1 3.522 0.015 . . . . . . A 33 TRP HB3 . 36151 1 377 . 1 . 1 33 33 TRP HD1 H 1 7.233 0.001 . 1 . . . . A 33 TRP HD1 . 36151 1 378 . 1 . 1 33 33 TRP CA C 13 57.208 0.079 . 1 . . . . A 33 TRP CA . 36151 1 379 . 1 . 1 33 33 TRP CB C 13 27.926 0 . 1 . . . . A 33 TRP CB . 36151 1 380 . 1 . 1 33 33 TRP CD1 C 13 115.446 0.043 . 1 . . . . A 33 TRP CD1 . 36151 1 381 . 1 . 1 33 33 TRP N N 15 127.483 0.063 . 1 . . . . A 33 TRP N . 36151 1 382 . 1 . 1 40 40 VAL H H 1 8.553 0.013 . 1 . . . . A 40 VAL H . 36151 1 383 . 1 . 1 40 40 VAL HA H 1 4.046 0.017 . 1 . . . . A 40 VAL HA . 36151 1 384 . 1 . 1 40 40 VAL HB H 1 2.341 0.007 . 1 . . . . A 40 VAL HB . 36151 1 385 . 1 . 1 40 40 VAL HG11 H 1 0.854 0.002 . . . . . . A 40 VAL HG11 . 36151 1 386 . 1 . 1 40 40 VAL HG12 H 1 0.854 0.002 . . . . . . A 40 VAL HG12 . 36151 1 387 . 1 . 1 40 40 VAL HG13 H 1 0.854 0.002 . . . . . . A 40 VAL HG13 . 36151 1 388 . 1 . 1 40 40 VAL HG21 H 1 0.985 0.011 . . . . . . A 40 VAL HG21 . 36151 1 389 . 1 . 1 40 40 VAL HG22 H 1 0.985 0.011 . . . . . . A 40 VAL HG22 . 36151 1 390 . 1 . 1 40 40 VAL HG23 H 1 0.985 0.011 . . . . . . A 40 VAL HG23 . 36151 1 391 . 1 . 1 40 40 VAL CA C 13 62.01 0.044 . 1 . . . . A 40 VAL CA . 36151 1 392 . 1 . 1 40 40 VAL CB C 13 32.888 0.067 . 1 . . . . A 40 VAL CB . 36151 1 393 . 1 . 1 40 40 VAL CG1 C 13 17.72 0.035 . . . . . . A 40 VAL CG1 . 36151 1 394 . 1 . 1 40 40 VAL N N 15 115.526 0.028 . 1 . . . . A 40 VAL N . 36151 1 395 . 1 . 1 41 41 LYS H H 1 8.621 0.013 . 1 . . . . A 41 LYS H . 36151 1 396 . 1 . 1 41 41 LYS HA H 1 4.308 0.005 . 1 . . . . A 41 LYS HA . 36151 1 397 . 1 . 1 41 41 LYS HB2 H 1 1.942 0.007 . . . . . . A 41 LYS HB2 . 36151 1 398 . 1 . 1 41 41 LYS HB3 H 1 1.716 0.006 . . . . . . A 41 LYS HB3 . 36151 1 399 . 1 . 1 41 41 LYS HG2 H 1 1.511 0 . . . . . . A 41 LYS HG2 . 36151 1 400 . 1 . 1 41 41 LYS HG3 H 1 1.433 0 . . . . . . A 41 LYS HG3 . 36151 1 401 . 1 . 1 41 41 LYS HD2 H 1 1.635 0.004 . . . . . . A 41 LYS HD2 . 36151 1 402 . 1 . 1 41 41 LYS HD3 H 1 1.635 0.004 . . . . . . A 41 LYS HD3 . 36151 1 403 . 1 . 1 41 41 LYS HE2 H 1 3.002 0.008 . . . . . . A 41 LYS HE2 . 36151 1 404 . 1 . 1 41 41 LYS HE3 H 1 3.002 0.008 . . . . . . A 41 LYS HE3 . 36151 1 405 . 1 . 1 41 41 LYS C C 13 178.152 0 . 1 . . . . A 41 LYS C . 36151 1 406 . 1 . 1 41 41 LYS CA C 13 56.016 0.12 . 1 . . . . A 41 LYS CA . 36151 1 407 . 1 . 1 41 41 LYS CB C 13 33.326 0.086 . 1 . . . . A 41 LYS CB . 36151 1 408 . 1 . 1 41 41 LYS CE C 13 42.065 0.028 . 1 . . . . A 41 LYS CE . 36151 1 409 . 1 . 1 41 41 LYS N N 15 119.903 0.063 . 1 . . . . A 41 LYS N . 36151 1 410 . 1 . 1 42 42 LYS H H 1 7.329 0.015 . 1 . . . . A 42 LYS H . 36151 1 411 . 1 . 1 42 42 LYS HA H 1 4.41 0.005 . 1 . . . . A 42 LYS HA . 36151 1 412 . 1 . 1 42 42 LYS HB2 H 1 1.902 0.007 . . . . . . A 42 LYS HB2 . 36151 1 413 . 1 . 1 42 42 LYS HB3 H 1 1.692 0.015 . . . . . . A 42 LYS HB3 . 36151 1 414 . 1 . 1 42 42 LYS HG2 H 1 1.435 0 . . . . . . A 42 LYS HG2 . 36151 1 415 . 1 . 1 42 42 LYS HG3 H 1 1.356 0.005 . . . . . . A 42 LYS HG3 . 36151 1 416 . 1 . 1 42 42 LYS HD2 H 1 1.589 0.003 . . . . . . A 42 LYS HD2 . 36151 1 417 . 1 . 1 42 42 LYS HD3 H 1 1.589 0.003 . . . . . . A 42 LYS HD3 . 36151 1 418 . 1 . 1 42 42 LYS HE2 H 1 2.901 0.014 . . . . . . A 42 LYS HE2 . 36151 1 419 . 1 . 1 42 42 LYS HE3 H 1 2.901 0.014 . . . . . . A 42 LYS HE3 . 36151 1 420 . 1 . 1 42 42 LYS C C 13 174.421 0 . 1 . . . . A 42 LYS C . 36151 1 421 . 1 . 1 42 42 LYS CA C 13 54.991 0.124 . 1 . . . . A 42 LYS CA . 36151 1 422 . 1 . 1 42 42 LYS CB C 13 34.629 0.052 . 1 . . . . A 42 LYS CB . 36151 1 423 . 1 . 1 42 42 LYS CE C 13 42.028 0.091 . 1 . . . . A 42 LYS CE . 36151 1 424 . 1 . 1 42 42 LYS N N 15 118.483 0.065 . 1 . . . . A 42 LYS N . 36151 1 425 . 1 . 1 43 43 GLU H H 1 8.295 0.015 . 1 . . . . A 43 GLU H . 36151 1 426 . 1 . 1 43 43 GLU HA H 1 3.782 0.004 . 1 . . . . A 43 GLU HA . 36151 1 427 . 1 . 1 43 43 GLU HB2 H 1 1.934 0.002 . . . . . . A 43 GLU HB2 . 36151 1 428 . 1 . 1 43 43 GLU HB3 H 1 1.795 0.005 . . . . . . A 43 GLU HB3 . 36151 1 429 . 1 . 1 43 43 GLU HG2 H 1 2.216 0.001 . . . . . . A 43 GLU HG2 . 36151 1 430 . 1 . 1 43 43 GLU HG3 H 1 2.086 0.001 . . . . . . A 43 GLU HG3 . 36151 1 431 . 1 . 1 43 43 GLU C C 13 175.468 0 . 1 . . . . A 43 GLU C . 36151 1 432 . 1 . 1 43 43 GLU CA C 13 57.567 0.103 . 1 . . . . A 43 GLU CA . 36151 1 433 . 1 . 1 43 43 GLU CB C 13 30.254 0.059 . 1 . . . . A 43 GLU CB . 36151 1 434 . 1 . 1 43 43 GLU CG C 13 35.872 0.036 . 1 . . . . A 43 GLU CG . 36151 1 435 . 1 . 1 43 43 GLU N N 15 119.125 0.057 . 1 . . . . A 43 GLU N . 36151 1 436 . 1 . 1 44 44 ARG H H 1 8.45 0.005 . 1 . . . . A 44 ARG H . 36151 1 437 . 1 . 1 44 44 ARG HA H 1 3.963 0.003 . 1 . . . . A 44 ARG HA . 36151 1 438 . 1 . 1 44 44 ARG HB2 H 1 1.867 0.003 . . . . . . A 44 ARG HB2 . 36151 1 439 . 1 . 1 44 44 ARG HB3 H 1 1.505 0 . . . . . . A 44 ARG HB3 . 36151 1 440 . 1 . 1 44 44 ARG HG2 H 1 1.18 0.018 . . . . . . A 44 ARG HG2 . 36151 1 441 . 1 . 1 44 44 ARG HG3 H 1 0.875 0.008 . . . . . . A 44 ARG HG3 . 36151 1 442 . 1 . 1 44 44 ARG HD2 H 1 2.881 0.022 . . . . . . A 44 ARG HD2 . 36151 1 443 . 1 . 1 44 44 ARG HD3 H 1 2.881 0.022 . . . . . . A 44 ARG HD3 . 36151 1 444 . 1 . 1 44 44 ARG C C 13 175.389 0 . 1 . . . . A 44 ARG C . 36151 1 445 . 1 . 1 44 44 ARG CA C 13 57.783 0.051 . 1 . . . . A 44 ARG CA . 36151 1 446 . 1 . 1 44 44 ARG CB C 13 30.88 0 . 1 . . . . A 44 ARG CB . 36151 1 447 . 1 . 1 44 44 ARG N N 15 124.845 0.045 . 1 . . . . A 44 ARG N . 36151 1 448 . 1 . 1 45 45 ALA H H 1 9.345 0.037 . 1 . . . . A 45 ALA H . 36151 1 449 . 1 . 1 45 45 ALA HA H 1 4.35 0.004 . 1 . . . . A 45 ALA HA . 36151 1 450 . 1 . 1 45 45 ALA HB1 H 1 1.128 0.001 . 1 . . . . A 45 ALA HB1 . 36151 1 451 . 1 . 1 45 45 ALA HB2 H 1 1.128 0.001 . 1 . . . . A 45 ALA HB2 . 36151 1 452 . 1 . 1 45 45 ALA HB3 H 1 1.128 0.001 . 1 . . . . A 45 ALA HB3 . 36151 1 453 . 1 . 1 45 45 ALA C C 13 176.455 0 . 1 . . . . A 45 ALA C . 36151 1 454 . 1 . 1 45 45 ALA CA C 13 51.292 0.052 . 1 . . . . A 45 ALA CA . 36151 1 455 . 1 . 1 45 45 ALA CB C 13 20.902 0.063 . 1 . . . . A 45 ALA CB . 36151 1 456 . 1 . 1 45 45 ALA N N 15 130.707 0.056 . 1 . . . . A 45 ALA N . 36151 1 457 . 1 . 1 46 46 GLY H H 1 6.387 0.004 . 1 . . . . A 46 GLY H . 36151 1 458 . 1 . 1 46 46 GLY HA2 H 1 3.145 0.007 . . . . . . A 46 GLY HA2 . 36151 1 459 . 1 . 1 46 46 GLY HA3 H 1 2.533 0.005 . . . . . . A 46 GLY HA3 . 36151 1 460 . 1 . 1 46 46 GLY C C 13 169.109 0 . 1 . . . . A 46 GLY C . 36151 1 461 . 1 . 1 46 46 GLY CA C 13 44.702 0.03 . 1 . . . . A 46 GLY CA . 36151 1 462 . 1 . 1 46 46 GLY N N 15 105.015 0.036 . 1 . . . . A 46 GLY N . 36151 1 463 . 1 . 1 47 47 LEU H H 1 7.192 0.01 . 1 . . . . A 47 LEU H . 36151 1 464 . 1 . 1 47 47 LEU HA H 1 4.642 0.011 . 1 . . . . A 47 LEU HA . 36151 1 465 . 1 . 1 47 47 LEU HB2 H 1 0.726 0.004 . . . . . . A 47 LEU HB2 . 36151 1 466 . 1 . 1 47 47 LEU HB3 H 1 0.641 0.006 . . . . . . A 47 LEU HB3 . 36151 1 467 . 1 . 1 47 47 LEU HG H 1 1.156 0.005 . 1 . . . . A 47 LEU HG . 36151 1 468 . 1 . 1 47 47 LEU HD11 H 1 -0.467 0.005 . . . . . . A 47 LEU HD11 . 36151 1 469 . 1 . 1 47 47 LEU HD12 H 1 -0.467 0.005 . . . . . . A 47 LEU HD12 . 36151 1 470 . 1 . 1 47 47 LEU HD13 H 1 -0.467 0.005 . . . . . . A 47 LEU HD13 . 36151 1 471 . 1 . 1 47 47 LEU HD21 H 1 -0.346 0.002 . . . . . . A 47 LEU HD21 . 36151 1 472 . 1 . 1 47 47 LEU HD22 H 1 -0.346 0.002 . . . . . . A 47 LEU HD22 . 36151 1 473 . 1 . 1 47 47 LEU HD23 H 1 -0.346 0.002 . . . . . . A 47 LEU HD23 . 36151 1 474 . 1 . 1 47 47 LEU C C 13 173.017 0 . 1 . . . . A 47 LEU C . 36151 1 475 . 1 . 1 47 47 LEU CA C 13 55.387 0 . 1 . . . . A 47 LEU CA . 36151 1 476 . 1 . 1 47 47 LEU CB C 13 48.412 0.033 . 1 . . . . A 47 LEU CB . 36151 1 477 . 1 . 1 47 47 LEU CG C 13 27.816 0.026 . 1 . . . . A 47 LEU CG . 36151 1 478 . 1 . 1 47 47 LEU CD1 C 13 24.002 0.053 . . . . . . A 47 LEU CD1 . 36151 1 479 . 1 . 1 47 47 LEU CD2 C 13 24.002 0.024 . . . . . . A 47 LEU CD2 . 36151 1 480 . 1 . 1 47 47 LEU N N 15 118.486 0.028 . 1 . . . . A 47 LEU N . 36151 1 481 . 1 . 1 48 48 ALA H H 1 8.54 0 . 1 . . . . A 48 ALA H . 36151 1 482 . 1 . 1 48 48 ALA HA H 1 4.679 0.008 . 1 . . . . A 48 ALA HA . 36151 1 483 . 1 . 1 48 48 ALA HB1 H 1 1.226 0.009 . 1 . . . . A 48 ALA HB1 . 36151 1 484 . 1 . 1 48 48 ALA HB2 H 1 1.226 0.009 . 1 . . . . A 48 ALA HB2 . 36151 1 485 . 1 . 1 48 48 ALA HB3 H 1 1.226 0.009 . 1 . . . . A 48 ALA HB3 . 36151 1 486 . 1 . 1 48 48 ALA C C 13 174.526 0 . 1 . . . . A 48 ALA C . 36151 1 487 . 1 . 1 48 48 ALA CA C 13 51.596 0.017 . 1 . . . . A 48 ALA CA . 36151 1 488 . 1 . 1 48 48 ALA CB C 13 22.455 0.054 . 1 . . . . A 48 ALA CB . 36151 1 489 . 1 . 1 48 48 ALA N N 15 120.685 0.057 . 1 . . . . A 48 ALA N . 36151 1 490 . 1 . 1 49 49 PHE H H 1 8.843 0.013 . 1 . . . . A 49 PHE H . 36151 1 491 . 1 . 1 49 49 PHE HA H 1 4.821 0.006 . 1 . . . . A 49 PHE HA . 36151 1 492 . 1 . 1 49 49 PHE HB2 H 1 3.19 0.003 . . . . . . A 49 PHE HB2 . 36151 1 493 . 1 . 1 49 49 PHE HB3 H 1 2.834 0.01 . . . . . . A 49 PHE HB3 . 36151 1 494 . 1 . 1 49 49 PHE HD1 H 1 7.407 0.004 . . . . . . A 49 PHE HD1 . 36151 1 495 . 1 . 1 49 49 PHE HD2 H 1 7.407 0.004 . . . . . . A 49 PHE HD2 . 36151 1 496 . 1 . 1 49 49 PHE HE1 H 1 7.157 0.017 . . . . . . A 49 PHE HE1 . 36151 1 497 . 1 . 1 49 49 PHE HE2 H 1 7.157 0.017 . . . . . . A 49 PHE HE2 . 36151 1 498 . 1 . 1 49 49 PHE HZ H 1 6.966 0.016 . 1 . . . . A 49 PHE HZ . 36151 1 499 . 1 . 1 49 49 PHE C C 13 176.599 0 . 1 . . . . A 49 PHE C . 36151 1 500 . 1 . 1 49 49 PHE CA C 13 57.02 0.175 . 1 . . . . A 49 PHE CA . 36151 1 501 . 1 . 1 49 49 PHE CB C 13 41.583 0.088 . 1 . . . . A 49 PHE CB . 36151 1 502 . 1 . 1 49 49 PHE CD1 C 13 126.996 0.163 . . . . . . A 49 PHE CD1 . 36151 1 503 . 1 . 1 49 49 PHE CD2 C 13 126.996 0.163 . . . . . . A 49 PHE CD2 . 36151 1 504 . 1 . 1 49 49 PHE CE1 C 13 126.291 0.074 . . . . . . A 49 PHE CE1 . 36151 1 505 . 1 . 1 49 49 PHE CE2 C 13 126.291 0.074 . . . . . . A 49 PHE CE2 . 36151 1 506 . 1 . 1 49 49 PHE CZ C 13 121.751 0.051 . 1 . . . . A 49 PHE CZ . 36151 1 507 . 1 . 1 49 49 PHE N N 15 116.036 0.073 . 1 . . . . A 49 PHE N . 36151 1 508 . 1 . 1 50 50 GLU H H 1 8.511 0 . 1 . . . . A 50 GLU H . 36151 1 509 . 1 . 1 50 50 GLU HA H 1 4.535 0 . 1 . . . . A 50 GLU HA . 36151 1 510 . 1 . 1 50 50 GLU CA C 13 53.418 0 . 1 . . . . A 50 GLU CA . 36151 1 511 . 1 . 1 50 50 GLU N N 15 125.253 0.057 . 1 . . . . A 50 GLU N . 36151 1 512 . 1 . 1 51 51 PRO HA H 1 2.38 0.003 . 1 . . . . A 51 PRO HA . 36151 1 513 . 1 . 1 51 51 PRO HB2 H 1 2.189 0.005 . . . . . . A 51 PRO HB2 . 36151 1 514 . 1 . 1 51 51 PRO HB3 H 1 1.462 0.008 . . . . . . A 51 PRO HB3 . 36151 1 515 . 1 . 1 51 51 PRO C C 13 173.847 0 . 1 . . . . A 51 PRO C . 36151 1 516 . 1 . 1 51 51 PRO CA C 13 61.398 0.038 . 1 . . . . A 51 PRO CA . 36151 1 517 . 1 . 1 51 51 PRO CB C 13 29.212 0.06 . 1 . . . . A 51 PRO CB . 36151 1 518 . 1 . 1 51 51 PRO CG C 13 27.341 0 . 1 . . . . A 51 PRO CG . 36151 1 519 . 1 . 1 52 52 PHE H H 1 7.763 0.004 . 1 . . . . A 52 PHE H . 36151 1 520 . 1 . 1 52 52 PHE HA H 1 4.296 0.007 . 1 . . . . A 52 PHE HA . 36151 1 521 . 1 . 1 52 52 PHE HB2 H 1 3.225 0.006 . . . . . . A 52 PHE HB2 . 36151 1 522 . 1 . 1 52 52 PHE HB3 H 1 2.787 0.005 . . . . . . A 52 PHE HB3 . 36151 1 523 . 1 . 1 52 52 PHE HD1 H 1 6.745 0.002 . . . . . . A 52 PHE HD1 . 36151 1 524 . 1 . 1 52 52 PHE HD2 H 1 6.745 0.002 . . . . . . A 52 PHE HD2 . 36151 1 525 . 1 . 1 52 52 PHE HE1 H 1 7.158 0.007 . . . . . . A 52 PHE HE1 . 36151 1 526 . 1 . 1 52 52 PHE HE2 H 1 7.158 0.007 . . . . . . A 52 PHE HE2 . 36151 1 527 . 1 . 1 52 52 PHE HZ H 1 7.394 0.006 . 1 . . . . A 52 PHE HZ . 36151 1 528 . 1 . 1 52 52 PHE C C 13 174.612 0 . 1 . . . . A 52 PHE C . 36151 1 529 . 1 . 1 52 52 PHE CA C 13 55.463 0.087 . 1 . . . . A 52 PHE CA . 36151 1 530 . 1 . 1 52 52 PHE CB C 13 39.361 0.046 . 1 . . . . A 52 PHE CB . 36151 1 531 . 1 . 1 52 52 PHE CD1 C 13 128.049 0.022 . . . . . . A 52 PHE CD1 . 36151 1 532 . 1 . 1 52 52 PHE CD2 C 13 128.049 0.022 . . . . . . A 52 PHE CD2 . 36151 1 533 . 1 . 1 52 52 PHE CE1 C 13 125.706 0.228 . . . . . . A 52 PHE CE1 . 36151 1 534 . 1 . 1 52 52 PHE CE2 C 13 125.706 0.228 . . . . . . A 52 PHE CE2 . 36151 1 535 . 1 . 1 52 52 PHE CZ C 13 108.011 0.096 . 1 . . . . A 52 PHE CZ . 36151 1 536 . 1 . 1 52 52 PHE N N 15 116.678 0.053 . 1 . . . . A 52 PHE N . 36151 1 537 . 1 . 1 53 53 VAL H H 1 8.93 0.006 . 1 . . . . A 53 VAL H . 36151 1 538 . 1 . 1 53 53 VAL HA H 1 3.433 0.004 . 1 . . . . A 53 VAL HA . 36151 1 539 . 1 . 1 53 53 VAL HB H 1 2.086 0.013 . 1 . . . . A 53 VAL HB . 36151 1 540 . 1 . 1 53 53 VAL HG11 H 1 1.047 0.014 . . . . . . A 53 VAL HG11 . 36151 1 541 . 1 . 1 53 53 VAL HG12 H 1 1.047 0.014 . . . . . . A 53 VAL HG12 . 36151 1 542 . 1 . 1 53 53 VAL HG13 H 1 1.047 0.014 . . . . . . A 53 VAL HG13 . 36151 1 543 . 1 . 1 53 53 VAL HG21 H 1 1.193 0.007 . . . . . . A 53 VAL HG21 . 36151 1 544 . 1 . 1 53 53 VAL HG22 H 1 1.193 0.007 . . . . . . A 53 VAL HG22 . 36151 1 545 . 1 . 1 53 53 VAL HG23 H 1 1.193 0.007 . . . . . . A 53 VAL HG23 . 36151 1 546 . 1 . 1 53 53 VAL C C 13 177.205 0 . 1 . . . . A 53 VAL C . 36151 1 547 . 1 . 1 53 53 VAL CA C 13 65.826 0.016 . 1 . . . . A 53 VAL CA . 36151 1 548 . 1 . 1 53 53 VAL CB C 13 31.382 0.042 . 1 . . . . A 53 VAL CB . 36151 1 549 . 1 . 1 53 53 VAL CG1 C 13 21.435 0.074 . . . . . . A 53 VAL CG1 . 36151 1 550 . 1 . 1 53 53 VAL CG2 C 13 23.734 0.114 . . . . . . A 53 VAL CG2 . 36151 1 551 . 1 . 1 53 53 VAL N N 15 121.124 0.044 . 1 . . . . A 53 VAL N . 36151 1 552 . 1 . 1 54 54 GLY H H 1 9.172 0.011 . 1 . . . . A 54 GLY H . 36151 1 553 . 1 . 1 54 54 GLY HA2 H 1 4.622 0.005 . . . . . . A 54 GLY HA2 . 36151 1 554 . 1 . 1 54 54 GLY HA3 H 1 3.717 0.024 . . . . . . A 54 GLY HA3 . 36151 1 555 . 1 . 1 54 54 GLY C C 13 175.09 0 . 1 . . . . A 54 GLY C . 36151 1 556 . 1 . 1 54 54 GLY CA C 13 44.867 0.034 . 1 . . . . A 54 GLY CA . 36151 1 557 . 1 . 1 54 54 GLY N N 15 117.021 0.049 . 1 . . . . A 54 GLY N . 36151 1 558 . 1 . 1 55 55 GLY H H 1 8.432 0.008 . 1 . . . . A 55 GLY H . 36151 1 559 . 1 . 1 55 55 GLY HA2 H 1 4.004 0.007 . . . . . . A 55 GLY HA2 . 36151 1 560 . 1 . 1 55 55 GLY HA3 H 1 3.139 0.009 . . . . . . A 55 GLY HA3 . 36151 1 561 . 1 . 1 55 55 GLY C C 13 171.626 0 . 1 . . . . A 55 GLY C . 36151 1 562 . 1 . 1 55 55 GLY CA C 13 44.96 0.066 . 1 . . . . A 55 GLY CA . 36151 1 563 . 1 . 1 55 55 GLY N N 15 110.486 0.036 . 1 . . . . A 55 GLY N . 36151 1 564 . 1 . 1 56 56 ARG H H 1 9.562 0.004 . 1 . . . . A 56 ARG H . 36151 1 565 . 1 . 1 56 56 ARG HA H 1 5.316 0.006 . 1 . . . . A 56 ARG HA . 36151 1 566 . 1 . 1 56 56 ARG HB2 H 1 1.75 0.005 . . . . . . A 56 ARG HB2 . 36151 1 567 . 1 . 1 56 56 ARG HB3 H 1 1.759 0.008 . . . . . . A 56 ARG HB3 . 36151 1 568 . 1 . 1 56 56 ARG HD2 H 1 3.221 0.005 . . . . . . A 56 ARG HD2 . 36151 1 569 . 1 . 1 56 56 ARG HD3 H 1 2.76 0.013 . . . . . . A 56 ARG HD3 . 36151 1 570 . 1 . 1 56 56 ARG C C 13 176.812 0 . 1 . . . . A 56 ARG C . 36151 1 571 . 1 . 1 56 56 ARG CA C 13 55.036 0.049 . 1 . . . . A 56 ARG CA . 36151 1 572 . 1 . 1 56 56 ARG CB C 13 33.539 0.104 . 1 . . . . A 56 ARG CB . 36151 1 573 . 1 . 1 56 56 ARG CD C 13 43.446 0.108 . 1 . . . . A 56 ARG CD . 36151 1 574 . 1 . 1 56 56 ARG N N 15 119.448 0.049 . 1 . . . . A 56 ARG N . 36151 1 575 . 1 . 1 57 57 TYR H H 1 8.319 0.005 . 1 . . . . A 57 TYR H . 36151 1 576 . 1 . 1 57 57 TYR HA H 1 5.697 0.011 . 1 . . . . A 57 TYR HA . 36151 1 577 . 1 . 1 57 57 TYR HB2 H 1 2.824 0.019 . . . . . . A 57 TYR HB2 . 36151 1 578 . 1 . 1 57 57 TYR HB3 H 1 2.339 0.014 . . . . . . A 57 TYR HB3 . 36151 1 579 . 1 . 1 57 57 TYR HD1 H 1 7.56 0.003 . . . . . . A 57 TYR HD1 . 36151 1 580 . 1 . 1 57 57 TYR HD2 H 1 7.56 0.003 . . . . . . A 57 TYR HD2 . 36151 1 581 . 1 . 1 57 57 TYR HE1 H 1 6.772 0.016 . . . . . . A 57 TYR HE1 . 36151 1 582 . 1 . 1 57 57 TYR HE2 H 1 6.772 0.016 . . . . . . A 57 TYR HE2 . 36151 1 583 . 1 . 1 57 57 TYR C C 13 175.414 0 . 1 . . . . A 57 TYR C . 36151 1 584 . 1 . 1 57 57 TYR CA C 13 57.469 0.064 . 1 . . . . A 57 TYR CA . 36151 1 585 . 1 . 1 57 57 TYR CB C 13 41.391 0.046 . 1 . . . . A 57 TYR CB . 36151 1 586 . 1 . 1 57 57 TYR CD1 C 13 109.445 0.046 . . . . . . A 57 TYR CD1 . 36151 1 587 . 1 . 1 57 57 TYR CD2 C 13 109.445 0.046 . . . . . . A 57 TYR CD2 . 36151 1 588 . 1 . 1 57 57 TYR CE1 C 13 118.314 0.042 . . . . . . A 57 TYR CE1 . 36151 1 589 . 1 . 1 57 57 TYR CE2 C 13 118.314 0.042 . . . . . . A 57 TYR CE2 . 36151 1 590 . 1 . 1 57 57 TYR N N 15 117.164 0.073 . 1 . . . . A 57 TYR N . 36151 1 591 . 1 . 1 58 58 TYR H H 1 8.762 0 . 1 . . . . A 58 TYR H . 36151 1 592 . 1 . 1 58 58 TYR HA H 1 5.382 0.015 . 1 . . . . A 58 TYR HA . 36151 1 593 . 1 . 1 58 58 TYR HB2 H 1 2.957 0 . . . . . . A 58 TYR HB2 . 36151 1 594 . 1 . 1 58 58 TYR HB3 H 1 2.845 0 . . . . . . A 58 TYR HB3 . 36151 1 595 . 1 . 1 58 58 TYR HD1 H 1 6.698 0.004 . . . . . . A 58 TYR HD1 . 36151 1 596 . 1 . 1 58 58 TYR HD2 H 1 6.698 0.004 . . . . . . A 58 TYR HD2 . 36151 1 597 . 1 . 1 58 58 TYR HE1 H 1 6.428 0.036 . . . . . . A 58 TYR HE1 . 36151 1 598 . 1 . 1 58 58 TYR HE2 H 1 6.428 0.036 . . . . . . A 58 TYR HE2 . 36151 1 599 . 1 . 1 58 58 TYR C C 13 170.198 0 . 1 . . . . A 58 TYR C . 36151 1 600 . 1 . 1 58 58 TYR CA C 13 56.253 0.091 . 1 . . . . A 58 TYR CA . 36151 1 601 . 1 . 1 58 58 TYR CB C 13 42.155 0 . 1 . . . . A 58 TYR CB . 36151 1 602 . 1 . 1 58 58 TYR CD1 C 13 127.723 0.038 . . . . . . A 58 TYR CD1 . 36151 1 603 . 1 . 1 58 58 TYR CD2 C 13 127.723 0.038 . . . . . . A 58 TYR CD2 . 36151 1 604 . 1 . 1 58 58 TYR CE1 C 13 113.449 0.034 . . . . . . A 58 TYR CE1 . 36151 1 605 . 1 . 1 58 58 TYR CE2 C 13 113.449 0.034 . . . . . . A 58 TYR CE2 . 36151 1 606 . 1 . 1 58 58 TYR N N 15 120.454 0.072 . 1 . . . . A 58 TYR N . 36151 1 607 . 1 . 1 59 59 GLU H H 1 9.014 0 . 1 . . . . A 59 GLU H . 36151 1 608 . 1 . 1 59 59 GLU HA H 1 5.305 0.01 . 1 . . . . A 59 GLU HA . 36151 1 609 . 1 . 1 59 59 GLU HB2 H 1 1.912 0.007 . . . . . . A 59 GLU HB2 . 36151 1 610 . 1 . 1 59 59 GLU HB3 H 1 1.912 0.007 . . . . . . A 59 GLU HB3 . 36151 1 611 . 1 . 1 59 59 GLU HG2 H 1 2.116 0.007 . . . . . . A 59 GLU HG2 . 36151 1 612 . 1 . 1 59 59 GLU HG3 H 1 2.116 0.007 . . . . . . A 59 GLU HG3 . 36151 1 613 . 1 . 1 59 59 GLU C C 13 174.21 0 . 1 . . . . A 59 GLU C . 36151 1 614 . 1 . 1 59 59 GLU CA C 13 52.527 0.076 . 1 . . . . A 59 GLU CA . 36151 1 615 . 1 . 1 59 59 GLU N N 15 115.698 0.071 . 1 . . . . A 59 GLU N . 36151 1 616 . 1 . 1 60 60 TRP H H 1 7.791 0.022 . 1 . . . . A 60 TRP H . 36151 1 617 . 1 . 1 60 60 TRP HA H 1 6.253 0.009 . 1 . . . . A 60 TRP HA . 36151 1 618 . 1 . 1 60 60 TRP HB2 H 1 3.314 0.007 . . . . . . A 60 TRP HB2 . 36151 1 619 . 1 . 1 60 60 TRP HB3 H 1 2.838 0.021 . . . . . . A 60 TRP HB3 . 36151 1 620 . 1 . 1 60 60 TRP HD1 H 1 7.311 0.001 . 1 . . . . A 60 TRP HD1 . 36151 1 621 . 1 . 1 60 60 TRP HE1 H 1 10.178 0.001 . 1 . . . . A 60 TRP HE1 . 36151 1 622 . 1 . 1 60 60 TRP HE3 H 1 7.331 0.012 . 1 . . . . A 60 TRP HE3 . 36151 1 623 . 1 . 1 60 60 TRP HZ2 H 1 6.7 0.007 . 1 . . . . A 60 TRP HZ2 . 36151 1 624 . 1 . 1 60 60 TRP HZ3 H 1 6.922 0.013 . 1 . . . . A 60 TRP HZ3 . 36151 1 625 . 1 . 1 60 60 TRP HH2 H 1 6.205 0.005 . 1 . . . . A 60 TRP HH2 . 36151 1 626 . 1 . 1 60 60 TRP C C 13 175.59 0 . 1 . . . . A 60 TRP C . 36151 1 627 . 1 . 1 60 60 TRP CA C 13 55.57 0.034 . 1 . . . . A 60 TRP CA . 36151 1 628 . 1 . 1 60 60 TRP CB C 13 32.84 0.084 . 1 . . . . A 60 TRP CB . 36151 1 629 . 1 . 1 60 60 TRP CD1 C 13 122.968 0.024 . 1 . . . . A 60 TRP CD1 . 36151 1 630 . 1 . 1 60 60 TRP CE3 C 13 109.22 0.028 . 1 . . . . A 60 TRP CE3 . 36151 1 631 . 1 . 1 60 60 TRP CZ3 C 13 119.33 0.061 . 1 . . . . A 60 TRP CZ3 . 36151 1 632 . 1 . 1 60 60 TRP CH2 C 13 116.762 0.024 . 1 . . . . A 60 TRP CH2 . 36151 1 633 . 1 . 1 60 60 TRP N N 15 115.422 0.085 . 1 . . . . A 60 TRP N . 36151 1 634 . 1 . 1 60 60 TRP NE1 N 15 129.587 0 . 1 . . . . A 60 TRP NE1 . 36151 1 635 . 1 . 1 61 61 ASP H H 1 8.302 0.011 . 1 . . . . A 61 ASP H . 36151 1 636 . 1 . 1 61 61 ASP HA H 1 5.294 0.006 . 1 . . . . A 61 ASP HA . 36151 1 637 . 1 . 1 61 61 ASP HB2 H 1 2.938 0.004 . . . . . . A 61 ASP HB2 . 36151 1 638 . 1 . 1 61 61 ASP HB3 H 1 2.938 0.004 . . . . . . A 61 ASP HB3 . 36151 1 639 . 1 . 1 61 61 ASP C C 13 179.513 0 . 1 . . . . A 61 ASP C . 36151 1 640 . 1 . 1 61 61 ASP CA C 13 52.243 0.143 . 1 . . . . A 61 ASP CA . 36151 1 641 . 1 . 1 61 61 ASP CB C 13 43.978 0.014 . 1 . . . . A 61 ASP CB . 36151 1 642 . 1 . 1 61 61 ASP N N 15 120.06 0.07 . 1 . . . . A 61 ASP N . 36151 1 643 . 1 . 1 62 62 ILE H H 1 7.684 0.016 . 1 . . . . A 62 ILE H . 36151 1 644 . 1 . 1 62 62 ILE HA H 1 4.019 0.006 . 1 . . . . A 62 ILE HA . 36151 1 645 . 1 . 1 62 62 ILE HB H 1 2.102 0.003 . 1 . . . . A 62 ILE HB . 36151 1 646 . 1 . 1 62 62 ILE HG12 H 1 1.434 0.002 . . . . . . A 62 ILE HG12 . 36151 1 647 . 1 . 1 62 62 ILE HG13 H 1 1.297 0.014 . . . . . . A 62 ILE HG13 . 36151 1 648 . 1 . 1 62 62 ILE HG21 H 1 1.012 0.008 . 1 . . . . A 62 ILE HG21 . 36151 1 649 . 1 . 1 62 62 ILE HG22 H 1 1.012 0.008 . 1 . . . . A 62 ILE HG22 . 36151 1 650 . 1 . 1 62 62 ILE HG23 H 1 1.012 0.008 . 1 . . . . A 62 ILE HG23 . 36151 1 651 . 1 . 1 62 62 ILE HD11 H 1 0.942 0.01 . 1 . . . . A 62 ILE HD11 . 36151 1 652 . 1 . 1 62 62 ILE HD12 H 1 0.942 0.01 . 1 . . . . A 62 ILE HD12 . 36151 1 653 . 1 . 1 62 62 ILE HD13 H 1 0.942 0.01 . 1 . . . . A 62 ILE HD13 . 36151 1 654 . 1 . 1 62 62 ILE C C 13 176.312 0 . 1 . . . . A 62 ILE C . 36151 1 655 . 1 . 1 62 62 ILE CA C 13 63.676 0.146 . 1 . . . . A 62 ILE CA . 36151 1 656 . 1 . 1 62 62 ILE CB C 13 38.834 0.046 . 1 . . . . A 62 ILE CB . 36151 1 657 . 1 . 1 62 62 ILE CG1 C 13 26.375 0.059 . 1 . . . . A 62 ILE CG1 . 36151 1 658 . 1 . 1 62 62 ILE CG2 C 13 18.815 0.073 . 1 . . . . A 62 ILE CG2 . 36151 1 659 . 1 . 1 62 62 ILE CD1 C 13 14.531 0.044 . 1 . . . . A 62 ILE CD1 . 36151 1 660 . 1 . 1 62 62 ILE N N 15 111.198 0.075 . 1 . . . . A 62 ILE N . 36151 1 661 . 1 . 1 63 63 ASP H H 1 8.191 0.017 . 1 . . . . A 63 ASP H . 36151 1 662 . 1 . 1 63 63 ASP HA H 1 4.855 0.008 . 1 . . . . A 63 ASP HA . 36151 1 663 . 1 . 1 63 63 ASP HB2 H 1 2.89 0.001 . . . . . . A 63 ASP HB2 . 36151 1 664 . 1 . 1 63 63 ASP HB3 H 1 2.816 0 . . . . . . A 63 ASP HB3 . 36151 1 665 . 1 . 1 63 63 ASP C C 13 177.103 0 . 1 . . . . A 63 ASP C . 36151 1 666 . 1 . 1 63 63 ASP CA C 13 54.49 0.076 . 1 . . . . A 63 ASP CA . 36151 1 667 . 1 . 1 63 63 ASP CB C 13 41.412 0.05 . 1 . . . . A 63 ASP CB . 36151 1 668 . 1 . 1 63 63 ASP N N 15 120.131 0.071 . 1 . . . . A 63 ASP N . 36151 1 669 . 1 . 1 64 64 GLY H H 1 8.582 0.003 . 1 . . . . A 64 GLY H . 36151 1 670 . 1 . 1 64 64 GLY HA2 H 1 4.305 0.005 . . . . . . A 64 GLY HA2 . 36151 1 671 . 1 . 1 64 64 GLY HA3 H 1 3.595 0.007 . . . . . . A 64 GLY HA3 . 36151 1 672 . 1 . 1 64 64 GLY C C 13 174.181 0 . 1 . . . . A 64 GLY C . 36151 1 673 . 1 . 1 64 64 GLY CA C 13 44.949 0.04 . 1 . . . . A 64 GLY CA . 36151 1 674 . 1 . 1 64 64 GLY N N 15 109.292 0.042 . 1 . . . . A 64 GLY N . 36151 1 675 . 1 . 1 65 65 THR H H 1 8.445 0.004 . 1 . . . . A 65 THR H . 36151 1 676 . 1 . 1 65 65 THR HA H 1 3.97 0.009 . 1 . . . . A 65 THR HA . 36151 1 677 . 1 . 1 65 65 THR HB H 1 4.311 0.004 . 1 . . . . A 65 THR HB . 36151 1 678 . 1 . 1 65 65 THR HG21 H 1 1.125 0.003 . 1 . . . . A 65 THR HG21 . 36151 1 679 . 1 . 1 65 65 THR HG22 H 1 1.125 0.003 . 1 . . . . A 65 THR HG22 . 36151 1 680 . 1 . 1 65 65 THR HG23 H 1 1.125 0.003 . 1 . . . . A 65 THR HG23 . 36151 1 681 . 1 . 1 65 65 THR C C 13 173.708 0 . 1 . . . . A 65 THR C . 36151 1 682 . 1 . 1 65 65 THR CA C 13 64.219 0.196 . 1 . . . . A 65 THR CA . 36151 1 683 . 1 . 1 65 65 THR CB C 13 67.858 0.23 . 1 . . . . A 65 THR CB . 36151 1 684 . 1 . 1 65 65 THR CG2 C 13 22.392 0.147 . 1 . . . . A 65 THR CG2 . 36151 1 685 . 1 . 1 65 65 THR N N 15 122.535 0.049 . 1 . . . . A 65 THR N . 36151 1 686 . 1 . 1 66 66 GLU H H 1 8.559 0.01 . 1 . . . . A 66 GLU H . 36151 1 687 . 1 . 1 66 66 GLU HA H 1 5.487 0.007 . 1 . . . . A 66 GLU HA . 36151 1 688 . 1 . 1 66 66 GLU HB2 H 1 1.902 0.013 . . . . . . A 66 GLU HB2 . 36151 1 689 . 1 . 1 66 66 GLU HB3 H 1 1.719 0.009 . . . . . . A 66 GLU HB3 . 36151 1 690 . 1 . 1 66 66 GLU HG2 H 1 2.444 0.007 . . . . . . A 66 GLU HG2 . 36151 1 691 . 1 . 1 66 66 GLU HG3 H 1 2.101 0.013 . . . . . . A 66 GLU HG3 . 36151 1 692 . 1 . 1 66 66 GLU C C 13 176.968 0 . 1 . . . . A 66 GLU C . 36151 1 693 . 1 . 1 66 66 GLU CA C 13 54.587 0.046 . 1 . . . . A 66 GLU CA . 36151 1 694 . 1 . 1 66 66 GLU CB C 13 32.718 0.071 . 1 . . . . A 66 GLU CB . 36151 1 695 . 1 . 1 66 66 GLU CG C 13 36.779 0.051 . 1 . . . . A 66 GLU CG . 36151 1 696 . 1 . 1 66 66 GLU N N 15 126.163 0.044 . 1 . . . . A 66 GLU N . 36151 1 697 . 1 . 1 67 67 ILE H H 1 8.973 0.013 . 1 . . . . A 67 ILE H . 36151 1 698 . 1 . 1 67 67 ILE HA H 1 4.166 0.008 . 1 . . . . A 67 ILE HA . 36151 1 699 . 1 . 1 67 67 ILE HB H 1 1.305 0.017 . 1 . . . . A 67 ILE HB . 36151 1 700 . 1 . 1 67 67 ILE HG12 H 1 1.243 0.01 . . . . . . A 67 ILE HG12 . 36151 1 701 . 1 . 1 67 67 ILE HG13 H 1 0.932 0.01 . . . . . . A 67 ILE HG13 . 36151 1 702 . 1 . 1 67 67 ILE HG21 H 1 0.457 0.006 . 1 . . . . A 67 ILE HG21 . 36151 1 703 . 1 . 1 67 67 ILE HG22 H 1 0.457 0.006 . 1 . . . . A 67 ILE HG22 . 36151 1 704 . 1 . 1 67 67 ILE HG23 H 1 0.457 0.006 . 1 . . . . A 67 ILE HG23 . 36151 1 705 . 1 . 1 67 67 ILE HD11 H 1 0.626 0.006 . 1 . . . . A 67 ILE HD11 . 36151 1 706 . 1 . 1 67 67 ILE HD12 H 1 0.626 0.006 . 1 . . . . A 67 ILE HD12 . 36151 1 707 . 1 . 1 67 67 ILE HD13 H 1 0.626 0.006 . 1 . . . . A 67 ILE HD13 . 36151 1 708 . 1 . 1 67 67 ILE C C 13 174.223 0 . 1 . . . . A 67 ILE C . 36151 1 709 . 1 . 1 67 67 ILE CA C 13 60.873 0.072 . 1 . . . . A 67 ILE CA . 36151 1 710 . 1 . 1 67 67 ILE CB C 13 40.591 0.201 . 1 . . . . A 67 ILE CB . 36151 1 711 . 1 . 1 67 67 ILE CG1 C 13 27.309 0.105 . 1 . . . . A 67 ILE CG1 . 36151 1 712 . 1 . 1 67 67 ILE CG2 C 13 18.045 0.061 . 1 . . . . A 67 ILE CG2 . 36151 1 713 . 1 . 1 67 67 ILE CD1 C 13 12.786 0.118 . 1 . . . . A 67 ILE CD1 . 36151 1 714 . 1 . 1 67 67 ILE N N 15 122.564 0.055 . 1 . . . . A 67 ILE N . 36151 1 715 . 1 . 1 68 68 VAL H H 1 8.573 0.007 . 1 . . . . A 68 VAL H . 36151 1 716 . 1 . 1 68 68 VAL HA H 1 3.956 0.005 . 1 . . . . A 68 VAL HA . 36151 1 717 . 1 . 1 68 68 VAL HB H 1 1.931 0.003 . 1 . . . . A 68 VAL HB . 36151 1 718 . 1 . 1 68 68 VAL HG11 H 1 0.99 0.006 . . . . . . A 68 VAL HG11 . 36151 1 719 . 1 . 1 68 68 VAL HG12 H 1 0.99 0.006 . . . . . . A 68 VAL HG12 . 36151 1 720 . 1 . 1 68 68 VAL HG13 H 1 0.99 0.006 . . . . . . A 68 VAL HG13 . 36151 1 721 . 1 . 1 68 68 VAL HG21 H 1 0.99 0.006 . . . . . . A 68 VAL HG21 . 36151 1 722 . 1 . 1 68 68 VAL HG22 H 1 0.99 0.006 . . . . . . A 68 VAL HG22 . 36151 1 723 . 1 . 1 68 68 VAL HG23 H 1 0.99 0.006 . . . . . . A 68 VAL HG23 . 36151 1 724 . 1 . 1 68 68 VAL C C 13 176.142 0 . 1 . . . . A 68 VAL C . 36151 1 725 . 1 . 1 68 68 VAL CA C 13 63.041 0.028 . 1 . . . . A 68 VAL CA . 36151 1 726 . 1 . 1 68 68 VAL CB C 13 32.448 0 . 1 . . . . A 68 VAL CB . 36151 1 727 . 1 . 1 68 68 VAL N N 15 127.142 0.064 . 1 . . . . A 68 VAL N . 36151 1 728 . 1 . 1 69 69 TRP H H 1 8.333 0 . 1 . . . . A 69 TRP H . 36151 1 729 . 1 . 1 69 69 TRP HA H 1 4.086 0.018 . 1 . . . . A 69 TRP HA . 36151 1 730 . 1 . 1 69 69 TRP HB2 H 1 3.08 0.003 . . . . . . A 69 TRP HB2 . 36151 1 731 . 1 . 1 69 69 TRP HB3 H 1 2.825 0.003 . . . . . . A 69 TRP HB3 . 36151 1 732 . 1 . 1 69 69 TRP HD1 H 1 6.92 0.001 . 1 . . . . A 69 TRP HD1 . 36151 1 733 . 1 . 1 69 69 TRP HE1 H 1 10.823 0.005 . 1 . . . . A 69 TRP HE1 . 36151 1 734 . 1 . 1 69 69 TRP HE3 H 1 7 0.015 . 1 . . . . A 69 TRP HE3 . 36151 1 735 . 1 . 1 69 69 TRP HZ3 H 1 6.196 0.013 . 1 . . . . A 69 TRP HZ3 . 36151 1 736 . 1 . 1 69 69 TRP C C 13 174.621 0 . 1 . . . . A 69 TRP C . 36151 1 737 . 1 . 1 69 69 TRP CA C 13 60.826 0.169 . 1 . . . . A 69 TRP CA . 36151 1 738 . 1 . 1 69 69 TRP CB C 13 31.091 0.027 . 1 . . . . A 69 TRP CB . 36151 1 739 . 1 . 1 69 69 TRP CD1 C 13 112.6 0.033 . 1 . . . . A 69 TRP CD1 . 36151 1 740 . 1 . 1 69 69 TRP CE3 C 13 116.922 0.018 . 1 . . . . A 69 TRP CE3 . 36151 1 741 . 1 . 1 69 69 TRP CZ3 C 13 119.187 0 . 1 . . . . A 69 TRP CZ3 . 36151 1 742 . 1 . 1 69 69 TRP N N 15 125.518 0.025 . 1 . . . . A 69 TRP N . 36151 1 743 . 1 . 1 70 70 GLY H H 1 7.176 0.016 . 1 . . . . A 70 GLY H . 36151 1 744 . 1 . 1 70 70 GLY HA2 H 1 4.914 0.001 . . . . . . A 70 GLY HA2 . 36151 1 745 . 1 . 1 70 70 GLY HA3 H 1 3.452 0.003 . . . . . . A 70 GLY HA3 . 36151 1 746 . 1 . 1 70 70 GLY C C 13 170.523 0 . 1 . . . . A 70 GLY C . 36151 1 747 . 1 . 1 70 70 GLY CA C 13 45.184 0.025 . 1 . . . . A 70 GLY CA . 36151 1 748 . 1 . 1 70 70 GLY N N 15 102.843 0.052 . 1 . . . . A 70 GLY N . 36151 1 749 . 1 . 1 71 71 ARG H H 1 8.928 0.018 . 1 . . . . A 71 ARG H . 36151 1 750 . 1 . 1 71 71 ARG HA H 1 5.561 0.006 . 1 . . . . A 71 ARG HA . 36151 1 751 . 1 . 1 71 71 ARG HB2 H 1 1.788 0.002 . . . . . . A 71 ARG HB2 . 36151 1 752 . 1 . 1 71 71 ARG HB3 H 1 1.742 0.003 . . . . . . A 71 ARG HB3 . 36151 1 753 . 1 . 1 71 71 ARG HG2 H 1 1.609 0.003 . . . . . . A 71 ARG HG2 . 36151 1 754 . 1 . 1 71 71 ARG HG3 H 1 1.561 0.016 . . . . . . A 71 ARG HG3 . 36151 1 755 . 1 . 1 71 71 ARG HD2 H 1 3.229 0.011 . . . . . . A 71 ARG HD2 . 36151 1 756 . 1 . 1 71 71 ARG HD3 H 1 3.192 0.002 . . . . . . A 71 ARG HD3 . 36151 1 757 . 1 . 1 71 71 ARG C C 13 175.967 0 . 1 . . . . A 71 ARG C . 36151 1 758 . 1 . 1 71 71 ARG CA C 13 53.208 0.077 . 1 . . . . A 71 ARG CA . 36151 1 759 . 1 . 1 71 71 ARG CB C 13 34.605 0.034 . 1 . . . . A 71 ARG CB . 36151 1 760 . 1 . 1 71 71 ARG CG C 13 27.684 0.068 . 1 . . . . A 71 ARG CG . 36151 1 761 . 1 . 1 71 71 ARG CD C 13 43.685 0.083 . 1 . . . . A 71 ARG CD . 36151 1 762 . 1 . 1 71 71 ARG N N 15 118.553 0.063 . 1 . . . . A 71 ARG N . 36151 1 763 . 1 . 1 72 72 ILE H H 1 9.285 0.012 . 1 . . . . A 72 ILE H . 36151 1 764 . 1 . 1 72 72 ILE HA H 1 4.319 0.01 . 1 . . . . A 72 ILE HA . 36151 1 765 . 1 . 1 72 72 ILE HB H 1 2.359 0.016 . 1 . . . . A 72 ILE HB . 36151 1 766 . 1 . 1 72 72 ILE HG12 H 1 1.922 0.002 . . . . . . A 72 ILE HG12 . 36151 1 767 . 1 . 1 72 72 ILE HG13 H 1 1.482 0.01 . . . . . . A 72 ILE HG13 . 36151 1 768 . 1 . 1 72 72 ILE HG21 H 1 1.235 0.003 . 1 . . . . A 72 ILE HG21 . 36151 1 769 . 1 . 1 72 72 ILE HG22 H 1 1.235 0.003 . 1 . . . . A 72 ILE HG22 . 36151 1 770 . 1 . 1 72 72 ILE HG23 H 1 1.235 0.003 . 1 . . . . A 72 ILE HG23 . 36151 1 771 . 1 . 1 72 72 ILE HD11 H 1 1.1 0.005 . 1 . . . . A 72 ILE HD11 . 36151 1 772 . 1 . 1 72 72 ILE HD12 H 1 1.1 0.005 . 1 . . . . A 72 ILE HD12 . 36151 1 773 . 1 . 1 72 72 ILE HD13 H 1 1.1 0.005 . 1 . . . . A 72 ILE HD13 . 36151 1 774 . 1 . 1 72 72 ILE C C 13 177.201 0 . 1 . . . . A 72 ILE C . 36151 1 775 . 1 . 1 72 72 ILE CA C 13 61.212 0.107 . 1 . . . . A 72 ILE CA . 36151 1 776 . 1 . 1 72 72 ILE CB C 13 36.575 0.063 . 1 . . . . A 72 ILE CB . 36151 1 777 . 1 . 1 72 72 ILE CG1 C 13 26.536 0.077 . 1 . . . . A 72 ILE CG1 . 36151 1 778 . 1 . 1 72 72 ILE CG2 C 13 20.005 0.029 . 1 . . . . A 72 ILE CG2 . 36151 1 779 . 1 . 1 72 72 ILE CD1 C 13 11.815 0.06 . 1 . . . . A 72 ILE CD1 . 36151 1 780 . 1 . 1 72 72 ILE N N 15 122.972 0.106 . 1 . . . . A 72 ILE N . 36151 1 781 . 1 . 1 73 73 LEU H H 1 9.651 0.008 . 1 . . . . A 73 LEU H . 36151 1 782 . 1 . 1 73 73 LEU HA H 1 4.531 0.017 . 1 . . . . A 73 LEU HA . 36151 1 783 . 1 . 1 73 73 LEU HB2 H 1 1.718 0.003 . . . . . . A 73 LEU HB2 . 36151 1 784 . 1 . 1 73 73 LEU HB3 H 1 1.591 0.001 . . . . . . A 73 LEU HB3 . 36151 1 785 . 1 . 1 73 73 LEU HG H 1 1.792 0.015 . 1 . . . . A 73 LEU HG . 36151 1 786 . 1 . 1 73 73 LEU HD11 H 1 0.809 0.011 . . . . . . A 73 LEU HD11 . 36151 1 787 . 1 . 1 73 73 LEU HD12 H 1 0.809 0.011 . . . . . . A 73 LEU HD12 . 36151 1 788 . 1 . 1 73 73 LEU HD13 H 1 0.809 0.011 . . . . . . A 73 LEU HD13 . 36151 1 789 . 1 . 1 73 73 LEU HD21 H 1 1.398 0.006 . . . . . . A 73 LEU HD21 . 36151 1 790 . 1 . 1 73 73 LEU HD22 H 1 1.398 0.006 . . . . . . A 73 LEU HD22 . 36151 1 791 . 1 . 1 73 73 LEU HD23 H 1 1.398 0.006 . . . . . . A 73 LEU HD23 . 36151 1 792 . 1 . 1 73 73 LEU C C 13 177.103 0 . 1 . . . . A 73 LEU C . 36151 1 793 . 1 . 1 73 73 LEU CA C 13 55.789 0.045 . 1 . . . . A 73 LEU CA . 36151 1 794 . 1 . 1 73 73 LEU CB C 13 44.823 0.072 . 1 . . . . A 73 LEU CB . 36151 1 795 . 1 . 1 73 73 LEU CG C 13 27.051 0.033 . 1 . . . . A 73 LEU CG . 36151 1 796 . 1 . 1 73 73 LEU CD1 C 13 25.244 0.04 . . . . . . A 73 LEU CD1 . 36151 1 797 . 1 . 1 73 73 LEU CD2 C 13 24.242 0.02 . . . . . . A 73 LEU CD2 . 36151 1 798 . 1 . 1 73 73 LEU N N 15 131.389 0.049 . 1 . . . . A 73 LEU N . 36151 1 799 . 1 . 1 74 74 GLU H H 1 8.011 0.011 . 1 . . . . A 74 GLU H . 36151 1 800 . 1 . 1 74 74 GLU HA H 1 4.583 0.007 . 1 . . . . A 74 GLU HA . 36151 1 801 . 1 . 1 74 74 GLU HB2 H 1 2.053 0.004 . . . . . . A 74 GLU HB2 . 36151 1 802 . 1 . 1 74 74 GLU HB3 H 1 1.767 0.009 . . . . . . A 74 GLU HB3 . 36151 1 803 . 1 . 1 74 74 GLU HG2 H 1 2.244 0.002 . . . . . . A 74 GLU HG2 . 36151 1 804 . 1 . 1 74 74 GLU HG3 H 1 2.244 0.002 . . . . . . A 74 GLU HG3 . 36151 1 805 . 1 . 1 74 74 GLU C C 13 173.887 0 . 1 . . . . A 74 GLU C . 36151 1 806 . 1 . 1 74 74 GLU CA C 13 55.975 0.12 . 1 . . . . A 74 GLU CA . 36151 1 807 . 1 . 1 74 74 GLU CB C 13 35.167 0.077 . 1 . . . . A 74 GLU CB . 36151 1 808 . 1 . 1 74 74 GLU CG C 13 36.802 0.017 . 1 . . . . A 74 GLU CG . 36151 1 809 . 1 . 1 74 74 GLU N N 15 116.072 0.048 . 1 . . . . A 74 GLU N . 36151 1 810 . 1 . 1 75 75 TRP H H 1 9.034 0.007 . 1 . . . . A 75 TRP H . 36151 1 811 . 1 . 1 75 75 TRP HA H 1 4.628 0.009 . 1 . . . . A 75 TRP HA . 36151 1 812 . 1 . 1 75 75 TRP HB2 H 1 3.412 0.007 . . . . . . A 75 TRP HB2 . 36151 1 813 . 1 . 1 75 75 TRP HB3 H 1 2.892 0.009 . . . . . . A 75 TRP HB3 . 36151 1 814 . 1 . 1 75 75 TRP HD1 H 1 7.144 0.008 . 1 . . . . A 75 TRP HD1 . 36151 1 815 . 1 . 1 75 75 TRP C C 13 172.389 0 . 1 . . . . A 75 TRP C . 36151 1 816 . 1 . 1 75 75 TRP CA C 13 57.971 0.079 . 1 . . . . A 75 TRP CA . 36151 1 817 . 1 . 1 75 75 TRP CB C 13 30.55 0.055 . 1 . . . . A 75 TRP CB . 36151 1 818 . 1 . 1 75 75 TRP CD1 C 13 122.249 0.014 . 1 . . . . A 75 TRP CD1 . 36151 1 819 . 1 . 1 75 75 TRP N N 15 124.841 0.055 . 1 . . . . A 75 TRP N . 36151 1 820 . 1 . 1 76 76 ASP H H 1 8.338 0 . 1 . . . . A 76 ASP H . 36151 1 821 . 1 . 1 76 76 ASP HA H 1 5.22 0.005 . 1 . . . . A 76 ASP HA . 36151 1 822 . 1 . 1 76 76 ASP HB2 H 1 2.815 0.015 . . . . . . A 76 ASP HB2 . 36151 1 823 . 1 . 1 76 76 ASP HB3 H 1 2.338 0.004 . . . . . . A 76 ASP HB3 . 36151 1 824 . 1 . 1 76 76 ASP CA C 13 51.057 0.077 . 1 . . . . A 76 ASP CA . 36151 1 825 . 1 . 1 76 76 ASP CB C 13 41.355 0.036 . 1 . . . . A 76 ASP CB . 36151 1 826 . 1 . 1 76 76 ASP N N 15 125.51 0.075 . 1 . . . . A 76 ASP N . 36151 1 827 . 1 . 1 79 79 HIS H H 1 7.524 0.005 . 1 . . . . A 79 HIS H . 36151 1 828 . 1 . 1 79 79 HIS HA H 1 4.874 0.009 . 1 . . . . A 79 HIS HA . 36151 1 829 . 1 . 1 79 79 HIS HB2 H 1 3.222 0.003 . . . . . . A 79 HIS HB2 . 36151 1 830 . 1 . 1 79 79 HIS HB3 H 1 2.968 0.007 . . . . . . A 79 HIS HB3 . 36151 1 831 . 1 . 1 79 79 HIS HD1 H 1 10.883 0 . 1 . . . . A 79 HIS HD1 . 36151 1 832 . 1 . 1 79 79 HIS HD2 H 1 6.942 0.009 . 1 . . . . A 79 HIS HD2 . 36151 1 833 . 1 . 1 79 79 HIS HE1 H 1 7.745 0.002 . 1 . . . . A 79 HIS HE1 . 36151 1 834 . 1 . 1 79 79 HIS C C 13 178.124 0 . 1 . . . . A 79 HIS C . 36151 1 835 . 1 . 1 79 79 HIS CA C 13 58.191 0.111 . 1 . . . . A 79 HIS CA . 36151 1 836 . 1 . 1 79 79 HIS CB C 13 32.293 0.05 . 1 . . . . A 79 HIS CB . 36151 1 837 . 1 . 1 79 79 HIS CD2 C 13 117.424 0.079 . 1 . . . . A 79 HIS CD2 . 36151 1 838 . 1 . 1 79 79 HIS CE1 C 13 132.988 0.014 . 1 . . . . A 79 HIS CE1 . 36151 1 839 . 1 . 1 79 79 HIS N N 15 116.598 0.049 . 1 . . . . A 79 HIS N . 36151 1 840 . 1 . 1 80 80 ARG H H 1 7.757 0.013 . 1 . . . . A 80 ARG H . 36151 1 841 . 1 . 1 80 80 ARG HA H 1 5.545 0.01 . 1 . . . . A 80 ARG HA . 36151 1 842 . 1 . 1 80 80 ARG HB2 H 1 1.967 0.022 . . . . . . A 80 ARG HB2 . 36151 1 843 . 1 . 1 80 80 ARG HB3 H 1 1.639 0.006 . . . . . . A 80 ARG HB3 . 36151 1 844 . 1 . 1 80 80 ARG HG2 H 1 1.392 0.008 . . . . . . A 80 ARG HG2 . 36151 1 845 . 1 . 1 80 80 ARG HG3 H 1 1.221 0.016 . . . . . . A 80 ARG HG3 . 36151 1 846 . 1 . 1 80 80 ARG HD2 H 1 3.193 0.007 . . . . . . A 80 ARG HD2 . 36151 1 847 . 1 . 1 80 80 ARG HD3 H 1 3.01 0.022 . . . . . . A 80 ARG HD3 . 36151 1 848 . 1 . 1 80 80 ARG C C 13 172.852 0 . 1 . . . . A 80 ARG C . 36151 1 849 . 1 . 1 80 80 ARG CA C 13 55.605 0.05 . 1 . . . . A 80 ARG CA . 36151 1 850 . 1 . 1 80 80 ARG CB C 13 34.22 0.204 . 1 . . . . A 80 ARG CB . 36151 1 851 . 1 . 1 80 80 ARG CG C 13 28.049 0.068 . 1 . . . . A 80 ARG CG . 36151 1 852 . 1 . 1 80 80 ARG CD C 13 43.176 0 . 1 . . . . A 80 ARG CD . 36151 1 853 . 1 . 1 80 80 ARG N N 15 121.186 0.069 . 1 . . . . A 80 ARG N . 36151 1 854 . 1 . 1 81 81 LEU H H 1 8.739 0.016 . 1 . . . . A 81 LEU H . 36151 1 855 . 1 . 1 81 81 LEU HA H 1 4.556 0.01 . 1 . . . . A 81 LEU HA . 36151 1 856 . 1 . 1 81 81 LEU HB2 H 1 1.61 0.005 . . . . . . A 81 LEU HB2 . 36151 1 857 . 1 . 1 81 81 LEU HB3 H 1 1.328 0.008 . . . . . . A 81 LEU HB3 . 36151 1 858 . 1 . 1 81 81 LEU HG H 1 1.305 0.009 . 1 . . . . A 81 LEU HG . 36151 1 859 . 1 . 1 81 81 LEU HD11 H 1 0.218 0.007 . . . . . . A 81 LEU HD11 . 36151 1 860 . 1 . 1 81 81 LEU HD12 H 1 0.218 0.007 . . . . . . A 81 LEU HD12 . 36151 1 861 . 1 . 1 81 81 LEU HD13 H 1 0.218 0.007 . . . . . . A 81 LEU HD13 . 36151 1 862 . 1 . 1 81 81 LEU HD21 H 1 0.623 0.003 . . . . . . A 81 LEU HD21 . 36151 1 863 . 1 . 1 81 81 LEU HD22 H 1 0.623 0.003 . . . . . . A 81 LEU HD22 . 36151 1 864 . 1 . 1 81 81 LEU HD23 H 1 0.623 0.003 . . . . . . A 81 LEU HD23 . 36151 1 865 . 1 . 1 81 81 LEU C C 13 173.161 0 . 1 . . . . A 81 LEU C . 36151 1 866 . 1 . 1 81 81 LEU CA C 13 54.528 0.136 . 1 . . . . A 81 LEU CA . 36151 1 867 . 1 . 1 81 81 LEU CB C 13 46.225 0.048 . 1 . . . . A 81 LEU CB . 36151 1 868 . 1 . 1 81 81 LEU CG C 13 26.856 0.086 . 1 . . . . A 81 LEU CG . 36151 1 869 . 1 . 1 81 81 LEU CD1 C 13 26.81 0.029 . . . . . . A 81 LEU CD1 . 36151 1 870 . 1 . 1 81 81 LEU CD2 C 13 26.562 0.072 . . . . . . A 81 LEU CD2 . 36151 1 871 . 1 . 1 81 81 LEU N N 15 124.317 0.062 . 1 . . . . A 81 LEU N . 36151 1 872 . 1 . 1 82 82 ALA H H 1 8.549 0 . 1 . . . . A 82 ALA H . 36151 1 873 . 1 . 1 82 82 ALA HA H 1 5.632 0.005 . 1 . . . . A 82 ALA HA . 36151 1 874 . 1 . 1 82 82 ALA HB1 H 1 1.475 0.001 . 1 . . . . A 82 ALA HB1 . 36151 1 875 . 1 . 1 82 82 ALA HB2 H 1 1.475 0.001 . 1 . . . . A 82 ALA HB2 . 36151 1 876 . 1 . 1 82 82 ALA HB3 H 1 1.475 0.001 . 1 . . . . A 82 ALA HB3 . 36151 1 877 . 1 . 1 82 82 ALA C C 13 177.473 0 . 1 . . . . A 82 ALA C . 36151 1 878 . 1 . 1 82 82 ALA CA C 13 51.945 0.028 . 1 . . . . A 82 ALA CA . 36151 1 879 . 1 . 1 82 82 ALA CB C 13 23.071 0.034 . 1 . . . . A 82 ALA CB . 36151 1 880 . 1 . 1 82 82 ALA N N 15 121.253 0.065 . 1 . . . . A 82 ALA N . 36151 1 881 . 1 . 1 83 83 MET H H 1 9.664 0.01 . 1 . . . . A 83 MET H . 36151 1 882 . 1 . 1 83 83 MET HA H 1 5.787 0.01 . 1 . . . . A 83 MET HA . 36151 1 883 . 1 . 1 83 83 MET HB2 H 1 2.365 0 . . . . . . A 83 MET HB2 . 36151 1 884 . 1 . 1 83 83 MET HB3 H 1 2.183 0 . . . . . . A 83 MET HB3 . 36151 1 885 . 1 . 1 83 83 MET HG2 H 1 2.385 0.007 . . . . . . A 83 MET HG2 . 36151 1 886 . 1 . 1 83 83 MET HG3 H 1 2.385 0.007 . . . . . . A 83 MET HG3 . 36151 1 887 . 1 . 1 83 83 MET C C 13 174.503 0 . 1 . . . . A 83 MET C . 36151 1 888 . 1 . 1 83 83 MET CA C 13 55.14 0.036 . 1 . . . . A 83 MET CA . 36151 1 889 . 1 . 1 83 83 MET CB C 13 36.608 0.014 . 1 . . . . A 83 MET CB . 36151 1 890 . 1 . 1 83 83 MET CG C 13 31.073 0.03 . 1 . . . . A 83 MET CG . 36151 1 891 . 1 . 1 83 83 MET N N 15 119.778 0.052 . 1 . . . . A 83 MET N . 36151 1 892 . 1 . 1 84 84 THR H H 1 9.299 0.008 . 1 . . . . A 84 THR H . 36151 1 893 . 1 . 1 84 84 THR HA H 1 5.284 0.004 . 1 . . . . A 84 THR HA . 36151 1 894 . 1 . 1 84 84 THR HB H 1 4.626 0.004 . 1 . . . . A 84 THR HB . 36151 1 895 . 1 . 1 84 84 THR HG21 H 1 1.615 0.005 . 1 . . . . A 84 THR HG21 . 36151 1 896 . 1 . 1 84 84 THR HG22 H 1 1.615 0.005 . 1 . . . . A 84 THR HG22 . 36151 1 897 . 1 . 1 84 84 THR HG23 H 1 1.615 0.005 . 1 . . . . A 84 THR HG23 . 36151 1 898 . 1 . 1 84 84 THR C C 13 174.516 0 . 1 . . . . A 84 THR C . 36151 1 899 . 1 . 1 84 84 THR CA C 13 61.359 0.055 . 1 . . . . A 84 THR CA . 36151 1 900 . 1 . 1 84 84 THR CB C 13 71.401 0.014 . 1 . . . . A 84 THR CB . 36151 1 901 . 1 . 1 84 84 THR CG2 C 13 23.117 0.027 . 1 . . . . A 84 THR CG2 . 36151 1 902 . 1 . 1 84 84 THR N N 15 111.481 0.056 . 1 . . . . A 84 THR N . 36151 1 903 . 1 . 1 85 85 TRP H H 1 8.903 0.001 . 1 . . . . A 85 TRP H . 36151 1 904 . 1 . 1 85 85 TRP HA H 1 5.507 0.014 . 1 . . . . A 85 TRP HA . 36151 1 905 . 1 . 1 85 85 TRP HB2 H 1 3.998 0.006 . . . . . . A 85 TRP HB2 . 36151 1 906 . 1 . 1 85 85 TRP HB3 H 1 2.557 0.006 . . . . . . A 85 TRP HB3 . 36151 1 907 . 1 . 1 85 85 TRP HD1 H 1 7.865 0.004 . 1 . . . . A 85 TRP HD1 . 36151 1 908 . 1 . 1 85 85 TRP HE3 H 1 8.013 0.006 . 1 . . . . A 85 TRP HE3 . 36151 1 909 . 1 . 1 85 85 TRP HZ3 H 1 6.714 0.013 . 1 . . . . A 85 TRP HZ3 . 36151 1 910 . 1 . 1 85 85 TRP C C 13 174.943 0 . 1 . . . . A 85 TRP C . 36151 1 911 . 1 . 1 85 85 TRP CA C 13 57.162 0.085 . 1 . . . . A 85 TRP CA . 36151 1 912 . 1 . 1 85 85 TRP CB C 13 30.226 0.052 . 1 . . . . A 85 TRP CB . 36151 1 913 . 1 . 1 85 85 TRP CD1 C 13 120.358 0.076 . 1 . . . . A 85 TRP CD1 . 36151 1 914 . 1 . 1 85 85 TRP CE3 C 13 116.98 0.098 . 1 . . . . A 85 TRP CE3 . 36151 1 915 . 1 . 1 85 85 TRP N N 15 124.09 0.073 . 1 . . . . A 85 TRP N . 36151 1 916 . 1 . 1 85 85 TRP NE1 N 15 129.646 0 . 1 . . . . A 85 TRP NE1 . 36151 1 917 . 1 . 1 86 86 ARG H H 1 9.327 0.011 . 1 . . . . A 86 ARG H . 36151 1 918 . 1 . 1 86 86 ARG HA H 1 4.151 0 . 1 . . . . A 86 ARG HA . 36151 1 919 . 1 . 1 86 86 ARG C C 13 175.327 0 . 1 . . . . A 86 ARG C . 36151 1 920 . 1 . 1 86 86 ARG CA C 13 56.075 0 . 1 . . . . A 86 ARG CA . 36151 1 921 . 1 . 1 86 86 ARG N N 15 125.98 0.078 . 1 . . . . A 86 ARG N . 36151 1 922 . 1 . 1 87 87 ILE H H 1 7.279 0.02 . 1 . . . . A 87 ILE H . 36151 1 923 . 1 . 1 87 87 ILE HA H 1 5.162 0.02 . 1 . . . . A 87 ILE HA . 36151 1 924 . 1 . 1 87 87 ILE HB H 1 1.136 0.014 . 1 . . . . A 87 ILE HB . 36151 1 925 . 1 . 1 87 87 ILE HG12 H 1 0.382 0.025 . . . . . . A 87 ILE HG12 . 36151 1 926 . 1 . 1 87 87 ILE HG13 H 1 0.382 0.025 . . . . . . A 87 ILE HG13 . 36151 1 927 . 1 . 1 87 87 ILE HG21 H 1 0.15 0.001 . 1 . . . . A 87 ILE HG21 . 36151 1 928 . 1 . 1 87 87 ILE HG22 H 1 0.15 0.001 . 1 . . . . A 87 ILE HG22 . 36151 1 929 . 1 . 1 87 87 ILE HG23 H 1 0.15 0.001 . 1 . . . . A 87 ILE HG23 . 36151 1 930 . 1 . 1 87 87 ILE HD11 H 1 -0.531 0 . 1 . . . . A 87 ILE HD11 . 36151 1 931 . 1 . 1 87 87 ILE HD12 H 1 -0.531 0 . 1 . . . . A 87 ILE HD12 . 36151 1 932 . 1 . 1 87 87 ILE HD13 H 1 -0.531 0 . 1 . . . . A 87 ILE HD13 . 36151 1 933 . 1 . 1 87 87 ILE C C 13 176.332 0 . 1 . . . . A 87 ILE C . 36151 1 934 . 1 . 1 87 87 ILE CA C 13 58.478 0.023 . 1 . . . . A 87 ILE CA . 36151 1 935 . 1 . 1 87 87 ILE CB C 13 43.168 0.042 . 1 . . . . A 87 ILE CB . 36151 1 936 . 1 . 1 87 87 ILE N N 15 118.08 0.041 . 1 . . . . A 87 ILE N . 36151 1 937 . 1 . 1 88 88 ASP H H 1 8.087 0.015 . 1 . . . . A 88 ASP H . 36151 1 938 . 1 . 1 88 88 ASP HA H 1 4.788 0.016 . 1 . . . . A 88 ASP HA . 36151 1 939 . 1 . 1 88 88 ASP HB2 H 1 3.18 0.005 . . . . . . A 88 ASP HB2 . 36151 1 940 . 1 . 1 88 88 ASP HB3 H 1 2.436 0.005 . . . . . . A 88 ASP HB3 . 36151 1 941 . 1 . 1 88 88 ASP C C 13 177.129 0 . 1 . . . . A 88 ASP C . 36151 1 942 . 1 . 1 88 88 ASP CA C 13 51.257 0.148 . 1 . . . . A 88 ASP CA . 36151 1 943 . 1 . 1 88 88 ASP CB C 13 42.312 0.042 . 1 . . . . A 88 ASP CB . 36151 1 944 . 1 . 1 88 88 ASP N N 15 120.863 0.054 . 1 . . . . A 88 ASP N . 36151 1 945 . 1 . 1 89 89 GLY H H 1 8.346 0.007 . 1 . . . . A 89 GLY H . 36151 1 946 . 1 . 1 89 89 GLY HA2 H 1 3.432 0.002 . . . . . . A 89 GLY HA2 . 36151 1 947 . 1 . 1 89 89 GLY HA3 H 1 3.457 0.005 . . . . . . A 89 GLY HA3 . 36151 1 948 . 1 . 1 89 89 GLY C C 13 173.599 0 . 1 . . . . A 89 GLY C . 36151 1 949 . 1 . 1 89 89 GLY CA C 13 45.751 0.042 . 1 . . . . A 89 GLY CA . 36151 1 950 . 1 . 1 89 89 GLY N N 15 101.598 0.082 . 1 . . . . A 89 GLY N . 36151 1 951 . 1 . 1 90 90 HIS H H 1 8.187 0.004 . 1 . . . . A 90 HIS H . 36151 1 952 . 1 . 1 90 90 HIS HA H 1 4.681 0.015 . 1 . . . . A 90 HIS HA . 36151 1 953 . 1 . 1 90 90 HIS HB2 H 1 3.411 0.011 . . . . . . A 90 HIS HB2 . 36151 1 954 . 1 . 1 90 90 HIS HB3 H 1 2.988 0.01 . . . . . . A 90 HIS HB3 . 36151 1 955 . 1 . 1 90 90 HIS HD2 H 1 6.909 0.005 . 1 . . . . A 90 HIS HD2 . 36151 1 956 . 1 . 1 90 90 HIS HE1 H 1 7.826 0.003 . 1 . . . . A 90 HIS HE1 . 36151 1 957 . 1 . 1 90 90 HIS C C 13 174.863 0 . 1 . . . . A 90 HIS C . 36151 1 958 . 1 . 1 90 90 HIS CA C 13 55.227 0 . 1 . . . . A 90 HIS CA . 36151 1 959 . 1 . 1 90 90 HIS CB C 13 30.126 0.082 . 1 . . . . A 90 HIS CB . 36151 1 960 . 1 . 1 90 90 HIS CD2 C 13 114.974 0.064 . 1 . . . . A 90 HIS CD2 . 36151 1 961 . 1 . 1 90 90 HIS CE1 C 13 132.956 0.025 . 1 . . . . A 90 HIS CE1 . 36151 1 962 . 1 . 1 90 90 HIS N N 15 118.487 0.1 . 1 . . . . A 90 HIS N . 36151 1 963 . 1 . 1 91 91 TRP H H 1 8.273 0 . 1 . . . . A 91 TRP H . 36151 1 964 . 1 . 1 91 91 TRP HE3 H 1 7.124 0.004 . 1 . . . . A 91 TRP HE3 . 36151 1 965 . 1 . 1 91 91 TRP HZ2 H 1 7.143 0.004 . 1 . . . . A 91 TRP HZ2 . 36151 1 966 . 1 . 1 91 91 TRP HZ3 H 1 6.852 0.007 . 1 . . . . A 91 TRP HZ3 . 36151 1 967 . 1 . 1 91 91 TRP HH2 H 1 7.362 0.02 . 1 . . . . A 91 TRP HH2 . 36151 1 968 . 1 . 1 91 91 TRP C C 13 174.007 0 . 1 . . . . A 91 TRP C . 36151 1 969 . 1 . 1 91 91 TRP CA C 13 58.818 0 . 1 . . . . A 91 TRP CA . 36151 1 970 . 1 . 1 91 91 TRP CB C 13 25.148 0 . 1 . . . . A 91 TRP CB . 36151 1 971 . 1 . 1 91 91 TRP CE3 C 13 108.519 0.041 . 1 . . . . A 91 TRP CE3 . 36151 1 972 . 1 . 1 91 91 TRP CZ2 C 13 122.215 0.069 . 1 . . . . A 91 TRP CZ2 . 36151 1 973 . 1 . 1 91 91 TRP CZ3 C 13 118.56 0.034 . 1 . . . . A 91 TRP CZ3 . 36151 1 974 . 1 . 1 91 91 TRP CH2 C 13 107.938 0 . 1 . . . . A 91 TRP CH2 . 36151 1 975 . 1 . 1 91 91 TRP N N 15 117.363 0.059 . 1 . . . . A 91 TRP N . 36151 1 976 . 1 . 1 92 92 GLN H H 1 8.192 0.018 . 1 . . . . A 92 GLN H . 36151 1 977 . 1 . 1 92 92 GLN HA H 1 4.418 0.005 . 1 . . . . A 92 GLN HA . 36151 1 978 . 1 . 1 92 92 GLN HB2 H 1 2.232 0.019 . . . . . . A 92 GLN HB2 . 36151 1 979 . 1 . 1 92 92 GLN HB3 H 1 2.232 0.019 . . . . . . A 92 GLN HB3 . 36151 1 980 . 1 . 1 92 92 GLN HG2 H 1 2.385 0.005 . . . . . . A 92 GLN HG2 . 36151 1 981 . 1 . 1 92 92 GLN HG3 H 1 2.249 0.003 . . . . . . A 92 GLN HG3 . 36151 1 982 . 1 . 1 92 92 GLN HE21 H 1 6.924 0.005 . . . . . . A 92 GLN HE21 . 36151 1 983 . 1 . 1 92 92 GLN HE22 H 1 7.735 0.014 . . . . . . A 92 GLN HE22 . 36151 1 984 . 1 . 1 92 92 GLN C C 13 174.976 0 . 1 . . . . A 92 GLN C . 36151 1 985 . 1 . 1 92 92 GLN CA C 13 53.226 0.133 . 1 . . . . A 92 GLN CA . 36151 1 986 . 1 . 1 92 92 GLN CB C 13 29.909 0.17 . 1 . . . . A 92 GLN CB . 36151 1 987 . 1 . 1 92 92 GLN CG C 13 34.301 0.064 . 1 . . . . A 92 GLN CG . 36151 1 988 . 1 . 1 92 92 GLN N N 15 115.738 0.045 . 1 . . . . A 92 GLN N . 36151 1 989 . 1 . 1 92 92 GLN NE2 N 15 113.482 0.112 . 1 . . . . A 92 GLN NE2 . 36151 1 990 . 1 . 1 93 93 SER H H 1 8.161 0.008 . 1 . . . . A 93 SER H . 36151 1 991 . 1 . 1 93 93 SER HA H 1 4.227 0.012 . 1 . . . . A 93 SER HA . 36151 1 992 . 1 . 1 93 93 SER HB2 H 1 3.643 0.01 . . . . . . A 93 SER HB2 . 36151 1 993 . 1 . 1 93 93 SER HB3 H 1 3.349 0.003 . . . . . . A 93 SER HB3 . 36151 1 994 . 1 . 1 93 93 SER C C 13 176.126 0 . 1 . . . . A 93 SER C . 36151 1 995 . 1 . 1 93 93 SER CA C 13 58.333 0.13 . 1 . . . . A 93 SER CA . 36151 1 996 . 1 . 1 93 93 SER CB C 13 63.561 0.047 . 1 . . . . A 93 SER CB . 36151 1 997 . 1 . 1 93 93 SER N N 15 112.208 0.057 . 1 . . . . A 93 SER N . 36151 1 998 . 1 . 1 94 94 VAL H H 1 6.92 0.026 . 1 . . . . A 94 VAL H . 36151 1 999 . 1 . 1 94 94 VAL HA H 1 4.773 0.015 . 1 . . . . A 94 VAL HA . 36151 1 1000 . 1 . 1 94 94 VAL HB H 1 2.145 0.012 . 1 . . . . A 94 VAL HB . 36151 1 1001 . 1 . 1 94 94 VAL HG11 H 1 0.656 0.003 . . . . . . A 94 VAL HG11 . 36151 1 1002 . 1 . 1 94 94 VAL HG12 H 1 0.656 0.003 . . . . . . A 94 VAL HG12 . 36151 1 1003 . 1 . 1 94 94 VAL HG13 H 1 0.656 0.003 . . . . . . A 94 VAL HG13 . 36151 1 1004 . 1 . 1 94 94 VAL HG21 H 1 0.896 0.001 . . . . . . A 94 VAL HG21 . 36151 1 1005 . 1 . 1 94 94 VAL HG22 H 1 0.896 0.001 . . . . . . A 94 VAL HG22 . 36151 1 1006 . 1 . 1 94 94 VAL HG23 H 1 0.896 0.001 . . . . . . A 94 VAL HG23 . 36151 1 1007 . 1 . 1 94 94 VAL CA C 13 57.589 0 . 1 . . . . A 94 VAL CA . 36151 1 1008 . 1 . 1 94 94 VAL CB C 13 32.72 0.03 . 1 . . . . A 94 VAL CB . 36151 1 1009 . 1 . 1 94 94 VAL CG1 C 13 18.617 0.101 . . . . . . A 94 VAL CG1 . 36151 1 1010 . 1 . 1 94 94 VAL N N 15 119.475 0.06 . 1 . . . . A 94 VAL N . 36151 1 1011 . 1 . 1 95 95 PRO HA H 1 4.351 0.003 . 1 . . . . A 95 PRO HA . 36151 1 1012 . 1 . 1 95 95 PRO HB2 H 1 2.131 0.009 . . . . . . A 95 PRO HB2 . 36151 1 1013 . 1 . 1 95 95 PRO HB3 H 1 2.131 0.009 . . . . . . A 95 PRO HB3 . 36151 1 1014 . 1 . 1 95 95 PRO HG2 H 1 2.047 0 . . . . . . A 95 PRO HG2 . 36151 1 1015 . 1 . 1 95 95 PRO HG3 H 1 2.047 0 . . . . . . A 95 PRO HG3 . 36151 1 1016 . 1 . 1 95 95 PRO HD2 H 1 3.647 0.004 . . . . . . A 95 PRO HD2 . 36151 1 1017 . 1 . 1 95 95 PRO HD3 H 1 3.647 0.004 . . . . . . A 95 PRO HD3 . 36151 1 1018 . 1 . 1 95 95 PRO C C 13 175.352 0 . 1 . . . . A 95 PRO C . 36151 1 1019 . 1 . 1 95 95 PRO CA C 13 64.349 0.07 . 1 . . . . A 95 PRO CA . 36151 1 1020 . 1 . 1 95 95 PRO CB C 13 32.398 0 . 1 . . . . A 95 PRO CB . 36151 1 1021 . 1 . 1 96 96 ASP H H 1 7.23 0.005 . 1 . . . . A 96 ASP H . 36151 1 1022 . 1 . 1 96 96 ASP HA H 1 4.465 0.003 . 1 . . . . A 96 ASP HA . 36151 1 1023 . 1 . 1 96 96 ASP HB2 H 1 2.856 0.004 . . . . . . A 96 ASP HB2 . 36151 1 1024 . 1 . 1 96 96 ASP HB3 H 1 2.653 0.006 . . . . . . A 96 ASP HB3 . 36151 1 1025 . 1 . 1 96 96 ASP C C 13 174.717 0 . 1 . . . . A 96 ASP C . 36151 1 1026 . 1 . 1 96 96 ASP CA C 13 52.671 0.045 . 1 . . . . A 96 ASP CA . 36151 1 1027 . 1 . 1 96 96 ASP CB C 13 43.132 0.057 . 1 . . . . A 96 ASP CB . 36151 1 1028 . 1 . 1 96 96 ASP N N 15 115.654 0.05 . 1 . . . . A 96 ASP N . 36151 1 1029 . 1 . 1 97 97 ASP H H 1 8.535 0.003 . 1 . . . . A 97 ASP H . 36151 1 1030 . 1 . 1 97 97 ASP HA H 1 5.072 0.006 . 1 . . . . A 97 ASP HA . 36151 1 1031 . 1 . 1 97 97 ASP HB2 H 1 3.041 0.004 . . . . . . A 97 ASP HB2 . 36151 1 1032 . 1 . 1 97 97 ASP HB3 H 1 2.511 0.004 . . . . . . A 97 ASP HB3 . 36151 1 1033 . 1 . 1 97 97 ASP C C 13 177.68 0 . 1 . . . . A 97 ASP C . 36151 1 1034 . 1 . 1 97 97 ASP CA C 13 55.753 0.045 . 1 . . . . A 97 ASP CA . 36151 1 1035 . 1 . 1 97 97 ASP CB C 13 42.85 0.072 . 1 . . . . A 97 ASP CB . 36151 1 1036 . 1 . 1 97 97 ASP N N 15 114.431 0.08 . 1 . . . . A 97 ASP N . 36151 1 1037 . 1 . 1 98 98 ASP H H 1 8.654 0.004 . 1 . . . . A 98 ASP H . 36151 1 1038 . 1 . 1 98 98 ASP HA H 1 4.267 0.003 . 1 . . . . A 98 ASP HA . 36151 1 1039 . 1 . 1 98 98 ASP HB2 H 1 2.767 0.005 . . . . . . A 98 ASP HB2 . 36151 1 1040 . 1 . 1 98 98 ASP HB3 H 1 2.604 0.007 . . . . . . A 98 ASP HB3 . 36151 1 1041 . 1 . 1 98 98 ASP C C 13 177.163 0 . 1 . . . . A 98 ASP C . 36151 1 1042 . 1 . 1 98 98 ASP CA C 13 57.696 0.031 . 1 . . . . A 98 ASP CA . 36151 1 1043 . 1 . 1 98 98 ASP CB C 13 40.079 0.033 . 1 . . . . A 98 ASP CB . 36151 1 1044 . 1 . 1 98 98 ASP N N 15 123.091 0.028 . 1 . . . . A 98 ASP N . 36151 1 1045 . 1 . 1 99 99 ARG H H 1 8.021 0.017 . 1 . . . . A 99 ARG H . 36151 1 1046 . 1 . 1 99 99 ARG HA H 1 4.568 0.014 . 1 . . . . A 99 ARG HA . 36151 1 1047 . 1 . 1 99 99 ARG HB2 H 1 2.179 0.004 . . . . . . A 99 ARG HB2 . 36151 1 1048 . 1 . 1 99 99 ARG HB3 H 1 1.54 0.018 . . . . . . A 99 ARG HB3 . 36151 1 1049 . 1 . 1 99 99 ARG HG2 H 1 1.594 0.008 . . . . . . A 99 ARG HG2 . 36151 1 1050 . 1 . 1 99 99 ARG HG3 H 1 1.522 0.071 . . . . . . A 99 ARG HG3 . 36151 1 1051 . 1 . 1 99 99 ARG HD2 H 1 3.247 0.007 . . . . . . A 99 ARG HD2 . 36151 1 1052 . 1 . 1 99 99 ARG HD3 H 1 3.247 0.007 . . . . . . A 99 ARG HD3 . 36151 1 1053 . 1 . 1 99 99 ARG C C 13 173.146 0 . 1 . . . . A 99 ARG C . 36151 1 1054 . 1 . 1 99 99 ARG CA C 13 53.959 0.083 . 1 . . . . A 99 ARG CA . 36151 1 1055 . 1 . 1 99 99 ARG CB C 13 29.739 0.088 . 1 . . . . A 99 ARG CB . 36151 1 1056 . 1 . 1 99 99 ARG CG C 13 27.076 0.087 . 1 . . . . A 99 ARG CG . 36151 1 1057 . 1 . 1 99 99 ARG CD C 13 43.899 0.194 . 1 . . . . A 99 ARG CD . 36151 1 1058 . 1 . 1 99 99 ARG N N 15 116.879 0.048 . 1 . . . . A 99 ARG N . 36151 1 1059 . 1 . 1 100 100 ALA H H 1 6.916 0.004 . 1 . . . . A 100 ALA H . 36151 1 1060 . 1 . 1 100 100 ALA HA H 1 4.61 0.009 . 1 . . . . A 100 ALA HA . 36151 1 1061 . 1 . 1 100 100 ALA HB1 H 1 1.61 0.004 . 1 . . . . A 100 ALA HB1 . 36151 1 1062 . 1 . 1 100 100 ALA HB2 H 1 1.61 0.004 . 1 . . . . A 100 ALA HB2 . 36151 1 1063 . 1 . 1 100 100 ALA HB3 H 1 1.61 0.004 . 1 . . . . A 100 ALA HB3 . 36151 1 1064 . 1 . 1 100 100 ALA C C 13 176.962 0 . 1 . . . . A 100 ALA C . 36151 1 1065 . 1 . 1 100 100 ALA CA C 13 50.79 0.022 . 1 . . . . A 100 ALA CA . 36151 1 1066 . 1 . 1 100 100 ALA CB C 13 23.139 0.034 . 1 . . . . A 100 ALA CB . 36151 1 1067 . 1 . 1 100 100 ALA N N 15 120.573 0.064 . 1 . . . . A 100 ALA N . 36151 1 1068 . 1 . 1 101 101 SER H H 1 6.985 0 . 1 . . . . A 101 SER H . 36151 1 1069 . 1 . 1 101 101 SER HA H 1 4.391 0.004 . 1 . . . . A 101 SER HA . 36151 1 1070 . 1 . 1 101 101 SER HB2 H 1 3.671 0.011 . . . . . . A 101 SER HB2 . 36151 1 1071 . 1 . 1 101 101 SER HB3 H 1 3.671 0.011 . . . . . . A 101 SER HB3 . 36151 1 1072 . 1 . 1 101 101 SER C C 13 172.944 0 . 1 . . . . A 101 SER C . 36151 1 1073 . 1 . 1 101 101 SER CA C 13 56.789 0.072 . 1 . . . . A 101 SER CA . 36151 1 1074 . 1 . 1 101 101 SER CB C 13 62.3 0.06 . 1 . . . . A 101 SER CB . 36151 1 1075 . 1 . 1 101 101 SER N N 15 115.646 0.053 . 1 . . . . A 101 SER N . 36151 1 1076 . 1 . 1 102 102 GLU H H 1 8.439 0.004 . 1 . . . . A 102 GLU H . 36151 1 1077 . 1 . 1 102 102 GLU HA H 1 5.466 0.011 . 1 . . . . A 102 GLU HA . 36151 1 1078 . 1 . 1 102 102 GLU HB2 H 1 1.658 0 . . . . . . A 102 GLU HB2 . 36151 1 1079 . 1 . 1 102 102 GLU HB3 H 1 1.658 0 . . . . . . A 102 GLU HB3 . 36151 1 1080 . 1 . 1 102 102 GLU HG2 H 1 2.171 0 . . . . . . A 102 GLU HG2 . 36151 1 1081 . 1 . 1 102 102 GLU HG3 H 1 2.171 0 . . . . . . A 102 GLU HG3 . 36151 1 1082 . 1 . 1 102 102 GLU C C 13 175.496 0 . 1 . . . . A 102 GLU C . 36151 1 1083 . 1 . 1 102 102 GLU CA C 13 54.686 0.051 . 1 . . . . A 102 GLU CA . 36151 1 1084 . 1 . 1 102 102 GLU CB C 13 33.484 0.038 . 1 . . . . A 102 GLU CB . 36151 1 1085 . 1 . 1 102 102 GLU CG C 13 44.017 0 . 1 . . . . A 102 GLU CG . 36151 1 1086 . 1 . 1 102 102 GLU N N 15 113.977 0.072 . 1 . . . . A 102 GLU N . 36151 1 1087 . 1 . 1 103 103 ILE H H 1 9.633 0.003 . 1 . . . . A 103 ILE H . 36151 1 1088 . 1 . 1 103 103 ILE HA H 1 4.971 0.007 . 1 . . . . A 103 ILE HA . 36151 1 1089 . 1 . 1 103 103 ILE HB H 1 1.33 0.011 . 1 . . . . A 103 ILE HB . 36151 1 1090 . 1 . 1 103 103 ILE HG12 H 1 1.286 0.012 . . . . . . A 103 ILE HG12 . 36151 1 1091 . 1 . 1 103 103 ILE HG13 H 1 -0.089 0.024 . . . . . . A 103 ILE HG13 . 36151 1 1092 . 1 . 1 103 103 ILE HG21 H 1 0.271 0.003 . 1 . . . . A 103 ILE HG21 . 36151 1 1093 . 1 . 1 103 103 ILE HG22 H 1 0.271 0.003 . 1 . . . . A 103 ILE HG22 . 36151 1 1094 . 1 . 1 103 103 ILE HG23 H 1 0.271 0.003 . 1 . . . . A 103 ILE HG23 . 36151 1 1095 . 1 . 1 103 103 ILE HD11 H 1 0.02 0.016 . 1 . . . . A 103 ILE HD11 . 36151 1 1096 . 1 . 1 103 103 ILE HD12 H 1 0.02 0.016 . 1 . . . . A 103 ILE HD12 . 36151 1 1097 . 1 . 1 103 103 ILE HD13 H 1 0.02 0.016 . 1 . . . . A 103 ILE HD13 . 36151 1 1098 . 1 . 1 103 103 ILE C C 13 174.541 0 . 1 . . . . A 103 ILE C . 36151 1 1099 . 1 . 1 103 103 ILE CA C 13 59.72 0.056 . 1 . . . . A 103 ILE CA . 36151 1 1100 . 1 . 1 103 103 ILE CB C 13 40.903 0.18 . 1 . . . . A 103 ILE CB . 36151 1 1101 . 1 . 1 103 103 ILE CG1 C 13 27.71 0.105 . 1 . . . . A 103 ILE CG1 . 36151 1 1102 . 1 . 1 103 103 ILE CG2 C 13 16.889 0.025 . 1 . . . . A 103 ILE CG2 . 36151 1 1103 . 1 . 1 103 103 ILE CD1 C 13 13.741 0.033 . 1 . . . . A 103 ILE CD1 . 36151 1 1104 . 1 . 1 103 103 ILE N N 15 125.046 0.055 . 1 . . . . A 103 ILE N . 36151 1 1105 . 1 . 1 104 104 GLU H H 1 9.031 0 . 1 . . . . A 104 GLU H . 36151 1 1106 . 1 . 1 104 104 GLU HA H 1 4.777 0.01 . 1 . . . . A 104 GLU HA . 36151 1 1107 . 1 . 1 104 104 GLU HB2 H 1 1.779 0.03 . . . . . . A 104 GLU HB2 . 36151 1 1108 . 1 . 1 104 104 GLU HB3 H 1 1.779 0.03 . . . . . . A 104 GLU HB3 . 36151 1 1109 . 1 . 1 104 104 GLU HG2 H 1 2.138 0.015 . . . . . . A 104 GLU HG2 . 36151 1 1110 . 1 . 1 104 104 GLU HG3 H 1 2.138 0.015 . . . . . . A 104 GLU HG3 . 36151 1 1111 . 1 . 1 104 104 GLU C C 13 175.195 0 . 1 . . . . A 104 GLU C . 36151 1 1112 . 1 . 1 104 104 GLU CA C 13 54.239 0.088 . 1 . . . . A 104 GLU CA . 36151 1 1113 . 1 . 1 104 104 GLU CB C 13 32.768 0.079 . 1 . . . . A 104 GLU CB . 36151 1 1114 . 1 . 1 104 104 GLU CG C 13 35.649 0 . 1 . . . . A 104 GLU CG . 36151 1 1115 . 1 . 1 104 104 GLU N N 15 124.034 0.063 . 1 . . . . A 104 GLU N . 36151 1 1116 . 1 . 1 105 105 VAL H H 1 9.106 0.017 . 1 . . . . A 105 VAL H . 36151 1 1117 . 1 . 1 105 105 VAL HA H 1 4.746 0.013 . 1 . . . . A 105 VAL HA . 36151 1 1118 . 1 . 1 105 105 VAL HB H 1 1.298 0.004 . 1 . . . . A 105 VAL HB . 36151 1 1119 . 1 . 1 105 105 VAL HG11 H 1 -0.703 0.004 . . . . . . A 105 VAL HG11 . 36151 1 1120 . 1 . 1 105 105 VAL HG12 H 1 -0.703 0.004 . . . . . . A 105 VAL HG12 . 36151 1 1121 . 1 . 1 105 105 VAL HG13 H 1 -0.703 0.004 . . . . . . A 105 VAL HG13 . 36151 1 1122 . 1 . 1 105 105 VAL HG21 H 1 0.277 0.01 . . . . . . A 105 VAL HG21 . 36151 1 1123 . 1 . 1 105 105 VAL HG22 H 1 0.277 0.01 . . . . . . A 105 VAL HG22 . 36151 1 1124 . 1 . 1 105 105 VAL HG23 H 1 0.277 0.01 . . . . . . A 105 VAL HG23 . 36151 1 1125 . 1 . 1 105 105 VAL C C 13 173.322 0 . 1 . . . . A 105 VAL C . 36151 1 1126 . 1 . 1 105 105 VAL CA C 13 60.178 0.137 . 1 . . . . A 105 VAL CA . 36151 1 1127 . 1 . 1 105 105 VAL CB C 13 33.235 0.032 . 1 . . . . A 105 VAL CB . 36151 1 1128 . 1 . 1 105 105 VAL CG1 C 13 21.79 0.04 . . . . . . A 105 VAL CG1 . 36151 1 1129 . 1 . 1 105 105 VAL CG2 C 13 20.48 0.081 . . . . . . A 105 VAL CG2 . 36151 1 1130 . 1 . 1 105 105 VAL N N 15 125.066 0.029 . 1 . . . . A 105 VAL N . 36151 1 1131 . 1 . 1 106 106 ASP H H 1 8.39 0.007 . 1 . . . . A 106 ASP H . 36151 1 1132 . 1 . 1 106 106 ASP HA H 1 5.376 0.01 . 1 . . . . A 106 ASP HA . 36151 1 1133 . 1 . 1 106 106 ASP HB2 H 1 2.379 0.008 . . . . . . A 106 ASP HB2 . 36151 1 1134 . 1 . 1 106 106 ASP HB3 H 1 2.229 0.012 . . . . . . A 106 ASP HB3 . 36151 1 1135 . 1 . 1 106 106 ASP C C 13 173.515 0 . 1 . . . . A 106 ASP C . 36151 1 1136 . 1 . 1 106 106 ASP CA C 13 52.785 0.035 . 1 . . . . A 106 ASP CA . 36151 1 1137 . 1 . 1 106 106 ASP CB C 13 45.404 0.038 . 1 . . . . A 106 ASP CB . 36151 1 1138 . 1 . 1 106 106 ASP N N 15 123.734 0.056 . 1 . . . . A 106 ASP N . 36151 1 1139 . 1 . 1 107 107 PHE H H 1 8.637 0.008 . 1 . . . . A 107 PHE H . 36151 1 1140 . 1 . 1 107 107 PHE HA H 1 4.702 0.009 . 1 . . . . A 107 PHE HA . 36151 1 1141 . 1 . 1 107 107 PHE HB2 H 1 3.749 0.016 . . . . . . A 107 PHE HB2 . 36151 1 1142 . 1 . 1 107 107 PHE HB3 H 1 2.572 0.013 . . . . . . A 107 PHE HB3 . 36151 1 1143 . 1 . 1 107 107 PHE HD1 H 1 6.797 0.006 . . . . . . A 107 PHE HD1 . 36151 1 1144 . 1 . 1 107 107 PHE HD2 H 1 6.797 0.006 . . . . . . A 107 PHE HD2 . 36151 1 1145 . 1 . 1 107 107 PHE HE1 H 1 6.228 0.006 . . . . . . A 107 PHE HE1 . 36151 1 1146 . 1 . 1 107 107 PHE HE2 H 1 6.228 0.006 . . . . . . A 107 PHE HE2 . 36151 1 1147 . 1 . 1 107 107 PHE HZ H 1 5.61 0.006 . 1 . . . . A 107 PHE HZ . 36151 1 1148 . 1 . 1 107 107 PHE C C 13 174.512 0 . 1 . . . . A 107 PHE C . 36151 1 1149 . 1 . 1 107 107 PHE CA C 13 56.473 0.05 . 1 . . . . A 107 PHE CA . 36151 1 1150 . 1 . 1 107 107 PHE CB C 13 40.016 0.076 . 1 . . . . A 107 PHE CB . 36151 1 1151 . 1 . 1 107 107 PHE CD1 C 13 127.417 0.062 . . . . . . A 107 PHE CD1 . 36151 1 1152 . 1 . 1 107 107 PHE CD2 C 13 127.417 0.062 . . . . . . A 107 PHE CD2 . 36151 1 1153 . 1 . 1 107 107 PHE CE1 C 13 124.617 0.046 . . . . . . A 107 PHE CE1 . 36151 1 1154 . 1 . 1 107 107 PHE CE2 C 13 124.617 0.046 . . . . . . A 107 PHE CE2 . 36151 1 1155 . 1 . 1 107 107 PHE CZ C 13 123.098 0.044 . 1 . . . . A 107 PHE CZ . 36151 1 1156 . 1 . 1 107 107 PHE N N 15 120.616 0.087 . 1 . . . . A 107 PHE N . 36151 1 1157 . 1 . 1 108 108 VAL H H 1 8.992 0.007 . 1 . . . . A 108 VAL H . 36151 1 1158 . 1 . 1 108 108 VAL HA H 1 4.762 0.022 . 1 . . . . A 108 VAL HA . 36151 1 1159 . 1 . 1 108 108 VAL HB H 1 2.156 0.003 . 1 . . . . A 108 VAL HB . 36151 1 1160 . 1 . 1 108 108 VAL HG11 H 1 0.873 0.009 . . . . . . A 108 VAL HG11 . 36151 1 1161 . 1 . 1 108 108 VAL HG12 H 1 0.873 0.009 . . . . . . A 108 VAL HG12 . 36151 1 1162 . 1 . 1 108 108 VAL HG13 H 1 0.873 0.009 . . . . . . A 108 VAL HG13 . 36151 1 1163 . 1 . 1 108 108 VAL HG21 H 1 0.986 0.003 . . . . . . A 108 VAL HG21 . 36151 1 1164 . 1 . 1 108 108 VAL HG22 H 1 0.986 0.003 . . . . . . A 108 VAL HG22 . 36151 1 1165 . 1 . 1 108 108 VAL HG23 H 1 0.986 0.003 . . . . . . A 108 VAL HG23 . 36151 1 1166 . 1 . 1 108 108 VAL CA C 13 58.624 0.213 . 1 . . . . A 108 VAL CA . 36151 1 1167 . 1 . 1 108 108 VAL CB C 13 35.386 0.102 . 1 . . . . A 108 VAL CB . 36151 1 1168 . 1 . 1 108 108 VAL CG1 C 13 19.93 0.232 . . . . . . A 108 VAL CG1 . 36151 1 1169 . 1 . 1 108 108 VAL CG2 C 13 20.898 0.036 . . . . . . A 108 VAL CG2 . 36151 1 1170 . 1 . 1 108 108 VAL N N 15 122.705 0.053 . 1 . . . . A 108 VAL N . 36151 1 1171 . 1 . 1 109 109 PRO HA H 1 4.717 0.013 . 1 . . . . A 109 PRO HA . 36151 1 1172 . 1 . 1 109 109 PRO HB2 H 1 2.469 0.003 . . . . . . A 109 PRO HB2 . 36151 1 1173 . 1 . 1 109 109 PRO HB3 H 1 2.012 0.007 . . . . . . A 109 PRO HB3 . 36151 1 1174 . 1 . 1 109 109 PRO HG2 H 1 2.246 0.006 . . . . . . A 109 PRO HG2 . 36151 1 1175 . 1 . 1 109 109 PRO HG3 H 1 2.104 0.012 . . . . . . A 109 PRO HG3 . 36151 1 1176 . 1 . 1 109 109 PRO HD2 H 1 3.972 0.006 . . . . . . A 109 PRO HD2 . 36151 1 1177 . 1 . 1 109 109 PRO HD3 H 1 3.87 0.01 . . . . . . A 109 PRO HD3 . 36151 1 1178 . 1 . 1 109 109 PRO C C 13 177.204 0 . 1 . . . . A 109 PRO C . 36151 1 1179 . 1 . 1 109 109 PRO CA C 13 63.4 0.07 . 1 . . . . A 109 PRO CA . 36151 1 1180 . 1 . 1 109 109 PRO CB C 13 32.043 0.055 . 1 . . . . A 109 PRO CB . 36151 1 1181 . 1 . 1 109 109 PRO CG C 13 27.848 0.026 . 1 . . . . A 109 PRO CG . 36151 1 1182 . 1 . 1 109 109 PRO CD C 13 50.937 0.05 . 1 . . . . A 109 PRO CD . 36151 1 1183 . 1 . 1 110 110 ASN H H 1 8.49 0.003 . 1 . . . . A 110 ASN H . 36151 1 1184 . 1 . 1 110 110 ASN HA H 1 4.751 0.016 . 1 . . . . A 110 ASN HA . 36151 1 1185 . 1 . 1 110 110 ASN HB2 H 1 2.82 0.006 . . . . . . A 110 ASN HB2 . 36151 1 1186 . 1 . 1 110 110 ASN HB3 H 1 2.498 0.012 . . . . . . A 110 ASN HB3 . 36151 1 1187 . 1 . 1 110 110 ASN C C 13 176.477 0 . 1 . . . . A 110 ASN C . 36151 1 1188 . 1 . 1 110 110 ASN CA C 13 52.203 0.072 . 1 . . . . A 110 ASN CA . 36151 1 1189 . 1 . 1 110 110 ASN CB C 13 39.628 0.057 . 1 . . . . A 110 ASN CB . 36151 1 1190 . 1 . 1 110 110 ASN N N 15 121.66 0.059 . 1 . . . . A 110 ASN N . 36151 1 1191 . 1 . 1 111 111 GLY H H 1 7.276 0.009 . 1 . . . . A 111 GLY H . 36151 1 1192 . 1 . 1 111 111 GLY HA2 H 1 4.164 0.001 . . . . . . A 111 GLY HA2 . 36151 1 1193 . 1 . 1 111 111 GLY HA3 H 1 3.788 0.009 . . . . . . A 111 GLY HA3 . 36151 1 1194 . 1 . 1 111 111 GLY C C 13 174.561 0 . 1 . . . . A 111 GLY C . 36151 1 1195 . 1 . 1 111 111 GLY CA C 13 46.186 0.042 . 1 . . . . A 111 GLY CA . 36151 1 1196 . 1 . 1 111 111 GLY N N 15 112.683 0.231 . 1 . . . . A 111 GLY N . 36151 1 1197 . 1 . 1 112 112 SER H H 1 8.137 0.006 . 1 . . . . A 112 SER H . 36151 1 1198 . 1 . 1 112 112 SER HA H 1 4.615 0.003 . 1 . . . . A 112 SER HA . 36151 1 1199 . 1 . 1 112 112 SER HB2 H 1 3.898 0.003 . . . . . . A 112 SER HB2 . 36151 1 1200 . 1 . 1 112 112 SER HB3 H 1 3.811 0.004 . . . . . . A 112 SER HB3 . 36151 1 1201 . 1 . 1 112 112 SER C C 13 174.546 0 . 1 . . . . A 112 SER C . 36151 1 1202 . 1 . 1 112 112 SER CA C 13 57.595 0.059 . 1 . . . . A 112 SER CA . 36151 1 1203 . 1 . 1 112 112 SER CB C 13 63.211 0.031 . 1 . . . . A 112 SER CB . 36151 1 1204 . 1 . 1 112 112 SER N N 15 114.461 0.099 . 1 . . . . A 112 SER N . 36151 1 1205 . 1 . 1 113 113 GLY H H 1 8.306 0.008 . 1 . . . . A 113 GLY H . 36151 1 1206 . 1 . 1 113 113 GLY HA2 H 1 4.303 0.003 . . . . . . A 113 GLY HA2 . 36151 1 1207 . 1 . 1 113 113 GLY HA3 H 1 3.733 0.005 . . . . . . A 113 GLY HA3 . 36151 1 1208 . 1 . 1 113 113 GLY C C 13 174.288 0 . 1 . . . . A 113 GLY C . 36151 1 1209 . 1 . 1 113 113 GLY CA C 13 44.96 0.045 . 1 . . . . A 113 GLY CA . 36151 1 1210 . 1 . 1 113 113 GLY N N 15 110.383 0.047 . 1 . . . . A 113 GLY N . 36151 1 1211 . 1 . 1 114 114 GLY H H 1 8.106 0.003 . 1 . . . . A 114 GLY H . 36151 1 1212 . 1 . 1 114 114 GLY HA2 H 1 4.505 0.007 . . . . . . A 114 GLY HA2 . 36151 1 1213 . 1 . 1 114 114 GLY HA3 H 1 4.013 0.006 . . . . . . A 114 GLY HA3 . 36151 1 1214 . 1 . 1 114 114 GLY C C 13 174.518 0 . 1 . . . . A 114 GLY C . 36151 1 1215 . 1 . 1 114 114 GLY CA C 13 44.296 0.065 . 1 . . . . A 114 GLY CA . 36151 1 1216 . 1 . 1 114 114 GLY N N 15 109.953 0.027 . 1 . . . . A 114 GLY N . 36151 1 1217 . 1 . 1 115 115 THR H H 1 9.022 0.015 . 1 . . . . A 115 THR H . 36151 1 1218 . 1 . 1 115 115 THR HA H 1 4.721 0.012 . 1 . . . . A 115 THR HA . 36151 1 1219 . 1 . 1 115 115 THR HB H 1 3.797 0.01 . 1 . . . . A 115 THR HB . 36151 1 1220 . 1 . 1 115 115 THR HG21 H 1 1.138 0.006 . 1 . . . . A 115 THR HG21 . 36151 1 1221 . 1 . 1 115 115 THR HG22 H 1 1.138 0.006 . 1 . . . . A 115 THR HG22 . 36151 1 1222 . 1 . 1 115 115 THR HG23 H 1 1.138 0.006 . 1 . . . . A 115 THR HG23 . 36151 1 1223 . 1 . 1 115 115 THR C C 13 172.533 0 . 1 . . . . A 115 THR C . 36151 1 1224 . 1 . 1 115 115 THR CA C 13 63.315 0.007 . 1 . . . . A 115 THR CA . 36151 1 1225 . 1 . 1 115 115 THR CB C 13 72.549 0.255 . 1 . . . . A 115 THR CB . 36151 1 1226 . 1 . 1 115 115 THR CG2 C 13 23.041 0.233 . 1 . . . . A 115 THR CG2 . 36151 1 1227 . 1 . 1 115 115 THR N N 15 119.124 0.055 . 1 . . . . A 115 THR N . 36151 1 1228 . 1 . 1 116 116 ARG H H 1 9.718 0 . 1 . . . . A 116 ARG H . 36151 1 1229 . 1 . 1 116 116 ARG HA H 1 5.066 0.015 . 1 . . . . A 116 ARG HA . 36151 1 1230 . 1 . 1 116 116 ARG HB2 H 1 1.883 0.008 . . . . . . A 116 ARG HB2 . 36151 1 1231 . 1 . 1 116 116 ARG HB3 H 1 1.464 0.009 . . . . . . A 116 ARG HB3 . 36151 1 1232 . 1 . 1 116 116 ARG HG2 H 1 1.34 0.004 . . . . . . A 116 ARG HG2 . 36151 1 1233 . 1 . 1 116 116 ARG HG3 H 1 1.212 0.008 . . . . . . A 116 ARG HG3 . 36151 1 1234 . 1 . 1 116 116 ARG HD2 H 1 3.13 0.007 . . . . . . A 116 ARG HD2 . 36151 1 1235 . 1 . 1 116 116 ARG HD3 H 1 3.053 0.009 . . . . . . A 116 ARG HD3 . 36151 1 1236 . 1 . 1 116 116 ARG C C 13 173.771 0 . 1 . . . . A 116 ARG C . 36151 1 1237 . 1 . 1 116 116 ARG CA C 13 54.742 0.047 . 1 . . . . A 116 ARG CA . 36151 1 1238 . 1 . 1 116 116 ARG CB C 13 32.266 0.066 . 1 . . . . A 116 ARG CB . 36151 1 1239 . 1 . 1 116 116 ARG CG C 13 28.613 0.124 . 1 . . . . A 116 ARG CG . 36151 1 1240 . 1 . 1 116 116 ARG CD C 13 43.112 0.06 . 1 . . . . A 116 ARG CD . 36151 1 1241 . 1 . 1 116 116 ARG N N 15 128.059 0.055 . 1 . . . . A 116 ARG N . 36151 1 1242 . 1 . 1 117 117 VAL H H 1 9.191 0 . 1 . . . . A 117 VAL H . 36151 1 1243 . 1 . 1 117 117 VAL HA H 1 4.442 0.011 . 1 . . . . A 117 VAL HA . 36151 1 1244 . 1 . 1 117 117 VAL HB H 1 1.804 0.011 . 1 . . . . A 117 VAL HB . 36151 1 1245 . 1 . 1 117 117 VAL HG11 H 1 0.867 0.007 . . . . . . A 117 VAL HG11 . 36151 1 1246 . 1 . 1 117 117 VAL HG12 H 1 0.867 0.007 . . . . . . A 117 VAL HG12 . 36151 1 1247 . 1 . 1 117 117 VAL HG13 H 1 0.867 0.007 . . . . . . A 117 VAL HG13 . 36151 1 1248 . 1 . 1 117 117 VAL HG21 H 1 -0.124 0.003 . . . . . . A 117 VAL HG21 . 36151 1 1249 . 1 . 1 117 117 VAL HG22 H 1 -0.124 0.003 . . . . . . A 117 VAL HG22 . 36151 1 1250 . 1 . 1 117 117 VAL HG23 H 1 -0.124 0.003 . . . . . . A 117 VAL HG23 . 36151 1 1251 . 1 . 1 117 117 VAL C C 13 174.764 0 . 1 . . . . A 117 VAL C . 36151 1 1252 . 1 . 1 117 117 VAL CA C 13 61.055 0.12 . 1 . . . . A 117 VAL CA . 36151 1 1253 . 1 . 1 117 117 VAL CB C 13 32.246 0.054 . 1 . . . . A 117 VAL CB . 36151 1 1254 . 1 . 1 117 117 VAL CG1 C 13 21.478 0.129 . . . . . . A 117 VAL CG1 . 36151 1 1255 . 1 . 1 117 117 VAL CG2 C 13 20.545 0.04 . . . . . . A 117 VAL CG2 . 36151 1 1256 . 1 . 1 117 117 VAL N N 15 129.601 0.038 . 1 . . . . A 117 VAL N . 36151 1 1257 . 1 . 1 118 118 GLU H H 1 8.665 0.008 . 1 . . . . A 118 GLU H . 36151 1 1258 . 1 . 1 118 118 GLU HA H 1 4.747 0.02 . 1 . . . . A 118 GLU HA . 36151 1 1259 . 1 . 1 118 118 GLU HB2 H 1 1.859 0 . . . . . . A 118 GLU HB2 . 36151 1 1260 . 1 . 1 118 118 GLU HB3 H 1 2.054 0.011 . . . . . . A 118 GLU HB3 . 36151 1 1261 . 1 . 1 118 118 GLU HG2 H 1 1.887 0.006 . . . . . . A 118 GLU HG2 . 36151 1 1262 . 1 . 1 118 118 GLU HG3 H 1 1.887 0.006 . . . . . . A 118 GLU HG3 . 36151 1 1263 . 1 . 1 118 118 GLU C C 13 173.409 0 . 1 . . . . A 118 GLU C . 36151 1 1264 . 1 . 1 118 118 GLU CA C 13 54.334 0 . 1 . . . . A 118 GLU CA . 36151 1 1265 . 1 . 1 118 118 GLU CB C 13 31.929 0.056 . 1 . . . . A 118 GLU CB . 36151 1 1266 . 1 . 1 118 118 GLU CG C 13 35.997 0.02 . 1 . . . . A 118 GLU CG . 36151 1 1267 . 1 . 1 118 118 GLU N N 15 125.851 0.059 . 1 . . . . A 118 GLU N . 36151 1 1268 . 1 . 1 119 119 LEU H H 1 8.662 0.024 . 1 . . . . A 119 LEU H . 36151 1 1269 . 1 . 1 119 119 LEU HA H 1 4.782 0.027 . 1 . . . . A 119 LEU HA . 36151 1 1270 . 1 . 1 119 119 LEU HB2 H 1 1.495 0.011 . . . . . . A 119 LEU HB2 . 36151 1 1271 . 1 . 1 119 119 LEU HB3 H 1 0.926 0.008 . . . . . . A 119 LEU HB3 . 36151 1 1272 . 1 . 1 119 119 LEU HG H 1 1.151 0.005 . 1 . . . . A 119 LEU HG . 36151 1 1273 . 1 . 1 119 119 LEU HD11 H 1 0.476 0.012 . . . . . . A 119 LEU HD11 . 36151 1 1274 . 1 . 1 119 119 LEU HD12 H 1 0.476 0.012 . . . . . . A 119 LEU HD12 . 36151 1 1275 . 1 . 1 119 119 LEU HD13 H 1 0.476 0.012 . . . . . . A 119 LEU HD13 . 36151 1 1276 . 1 . 1 119 119 LEU HD21 H 1 0.49 0.01 . . . . . . A 119 LEU HD21 . 36151 1 1277 . 1 . 1 119 119 LEU HD22 H 1 0.49 0.01 . . . . . . A 119 LEU HD22 . 36151 1 1278 . 1 . 1 119 119 LEU HD23 H 1 0.49 0.01 . . . . . . A 119 LEU HD23 . 36151 1 1279 . 1 . 1 119 119 LEU C C 13 174.456 0 . 1 . . . . A 119 LEU C . 36151 1 1280 . 1 . 1 119 119 LEU CA C 13 54.477 0.057 . 1 . . . . A 119 LEU CA . 36151 1 1281 . 1 . 1 119 119 LEU CB C 13 46.332 0.031 . 1 . . . . A 119 LEU CB . 36151 1 1282 . 1 . 1 119 119 LEU CG C 13 28.107 0.035 . 1 . . . . A 119 LEU CG . 36151 1 1283 . 1 . 1 119 119 LEU CD1 C 13 25.335 0.072 . . . . . . A 119 LEU CD1 . 36151 1 1284 . 1 . 1 119 119 LEU CD2 C 13 25.335 0.072 . . . . . . A 119 LEU CD2 . 36151 1 1285 . 1 . 1 119 119 LEU N N 15 126.866 0.06 . 1 . . . . A 119 LEU N . 36151 1 1286 . 1 . 1 120 120 ALA H H 1 9.428 0.01 . 1 . . . . A 120 ALA H . 36151 1 1287 . 1 . 1 120 120 ALA HA H 1 5.434 0.005 . 1 . . . . A 120 ALA HA . 36151 1 1288 . 1 . 1 120 120 ALA HB1 H 1 1.211 0.006 . 1 . . . . A 120 ALA HB1 . 36151 1 1289 . 1 . 1 120 120 ALA HB2 H 1 1.211 0.006 . 1 . . . . A 120 ALA HB2 . 36151 1 1290 . 1 . 1 120 120 ALA HB3 H 1 1.211 0.006 . 1 . . . . A 120 ALA HB3 . 36151 1 1291 . 1 . 1 120 120 ALA C C 13 174.897 0 . 1 . . . . A 120 ALA C . 36151 1 1292 . 1 . 1 120 120 ALA CA C 13 49.91 0.046 . 1 . . . . A 120 ALA CA . 36151 1 1293 . 1 . 1 120 120 ALA CB C 13 22.958 0.067 . 1 . . . . A 120 ALA CB . 36151 1 1294 . 1 . 1 120 120 ALA N N 15 131.005 0.044 . 1 . . . . A 120 ALA N . 36151 1 1295 . 1 . 1 121 121 HIS H H 1 9.112 0.014 . 1 . . . . A 121 HIS H . 36151 1 1296 . 1 . 1 121 121 HIS HA H 1 4.798 0.012 . 1 . . . . A 121 HIS HA . 36151 1 1297 . 1 . 1 121 121 HIS HB2 H 1 3.088 0 . . . . . . A 121 HIS HB2 . 36151 1 1298 . 1 . 1 121 121 HIS HB3 H 1 2.873 0 . . . . . . A 121 HIS HB3 . 36151 1 1299 . 1 . 1 121 121 HIS HD2 H 1 10.907 0 . 1 . . . . A 121 HIS HD2 . 36151 1 1300 . 1 . 1 121 121 HIS HE1 H 1 7.638 0.011 . 1 . . . . A 121 HIS HE1 . 36151 1 1301 . 1 . 1 121 121 HIS C C 13 174.527 0 . 1 . . . . A 121 HIS C . 36151 1 1302 . 1 . 1 121 121 HIS CA C 13 55.923 0 . 1 . . . . A 121 HIS CA . 36151 1 1303 . 1 . 1 121 121 HIS CB C 13 29.916 0.086 . 1 . . . . A 121 HIS CB . 36151 1 1304 . 1 . 1 121 121 HIS CE1 C 13 133.342 0.063 . 1 . . . . A 121 HIS CE1 . 36151 1 1305 . 1 . 1 121 121 HIS N N 15 123.74 0.061 . 1 . . . . A 121 HIS N . 36151 1 1306 . 1 . 1 122 122 VAL H H 1 8.626 0.008 . 1 . . . . A 122 VAL H . 36151 1 1307 . 1 . 1 122 122 VAL HA H 1 5.202 0.005 . 1 . . . . A 122 VAL HA . 36151 1 1308 . 1 . 1 122 122 VAL HB H 1 2.219 0.006 . 1 . . . . A 122 VAL HB . 36151 1 1309 . 1 . 1 122 122 VAL HG11 H 1 0.618 0.002 . . . . . . A 122 VAL HG11 . 36151 1 1310 . 1 . 1 122 122 VAL HG12 H 1 0.618 0.002 . . . . . . A 122 VAL HG12 . 36151 1 1311 . 1 . 1 122 122 VAL HG13 H 1 0.618 0.002 . . . . . . A 122 VAL HG13 . 36151 1 1312 . 1 . 1 122 122 VAL HG21 H 1 0.693 0.005 . . . . . . A 122 VAL HG21 . 36151 1 1313 . 1 . 1 122 122 VAL HG22 H 1 0.693 0.005 . . . . . . A 122 VAL HG22 . 36151 1 1314 . 1 . 1 122 122 VAL HG23 H 1 0.693 0.005 . . . . . . A 122 VAL HG23 . 36151 1 1315 . 1 . 1 122 122 VAL C C 13 174.563 0 . 1 . . . . A 122 VAL C . 36151 1 1316 . 1 . 1 122 122 VAL CA C 13 57.728 0.081 . 1 . . . . A 122 VAL CA . 36151 1 1317 . 1 . 1 122 122 VAL CB C 13 34.996 0.062 . 1 . . . . A 122 VAL CB . 36151 1 1318 . 1 . 1 122 122 VAL CG1 C 13 21.155 0.038 . . . . . . A 122 VAL CG1 . 36151 1 1319 . 1 . 1 122 122 VAL CG2 C 13 19.273 0.083 . . . . . . A 122 VAL CG2 . 36151 1 1320 . 1 . 1 122 122 VAL N N 15 114.084 0.042 . 1 . . . . A 122 VAL N . 36151 1 1321 . 1 . 1 123 123 LYS H H 1 8.627 0 . 1 . . . . A 123 LYS H . 36151 1 1322 . 1 . 1 123 123 LYS HA H 1 3.866 0.01 . 1 . . . . A 123 LYS HA . 36151 1 1323 . 1 . 1 123 123 LYS HB2 H 1 1.683 0.009 . . . . . . A 123 LYS HB2 . 36151 1 1324 . 1 . 1 123 123 LYS HB3 H 1 1.346 0.003 . . . . . . A 123 LYS HB3 . 36151 1 1325 . 1 . 1 123 123 LYS HG2 H 1 1.348 0.012 . . . . . . A 123 LYS HG2 . 36151 1 1326 . 1 . 1 123 123 LYS HG3 H 1 1.348 0.012 . . . . . . A 123 LYS HG3 . 36151 1 1327 . 1 . 1 123 123 LYS HD2 H 1 1.669 0.022 . . . . . . A 123 LYS HD2 . 36151 1 1328 . 1 . 1 123 123 LYS HD3 H 1 1.669 0.022 . . . . . . A 123 LYS HD3 . 36151 1 1329 . 1 . 1 123 123 LYS HE2 H 1 3.005 0.004 . . . . . . A 123 LYS HE2 . 36151 1 1330 . 1 . 1 123 123 LYS HE3 H 1 2.892 0.015 . . . . . . A 123 LYS HE3 . 36151 1 1331 . 1 . 1 123 123 LYS C C 13 176.95 0 . 1 . . . . A 123 LYS C . 36151 1 1332 . 1 . 1 123 123 LYS CA C 13 57.131 0.129 . 1 . . . . A 123 LYS CA . 36151 1 1333 . 1 . 1 123 123 LYS CB C 13 29.947 0.062 . 1 . . . . A 123 LYS CB . 36151 1 1334 . 1 . 1 123 123 LYS CG C 13 25.693 0 . 1 . . . . A 123 LYS CG . 36151 1 1335 . 1 . 1 123 123 LYS CE C 13 42.503 0 . 1 . . . . A 123 LYS CE . 36151 1 1336 . 1 . 1 123 123 LYS N N 15 114.101 0.043 . 1 . . . . A 123 LYS N . 36151 1 1337 . 1 . 1 124 124 LEU H H 1 8.92 0.004 . 1 . . . . A 124 LEU H . 36151 1 1338 . 1 . 1 124 124 LEU HA H 1 4.185 0.012 . 1 . . . . A 124 LEU HA . 36151 1 1339 . 1 . 1 124 124 LEU HB2 H 1 1.697 0.011 . . . . . . A 124 LEU HB2 . 36151 1 1340 . 1 . 1 124 124 LEU HB3 H 1 1.322 0.01 . . . . . . A 124 LEU HB3 . 36151 1 1341 . 1 . 1 124 124 LEU HG H 1 1.783 0.014 . 1 . . . . A 124 LEU HG . 36151 1 1342 . 1 . 1 124 124 LEU HD11 H 1 1.068 0.004 . . . . . . A 124 LEU HD11 . 36151 1 1343 . 1 . 1 124 124 LEU HD12 H 1 1.068 0.004 . . . . . . A 124 LEU HD12 . 36151 1 1344 . 1 . 1 124 124 LEU HD13 H 1 1.068 0.004 . . . . . . A 124 LEU HD13 . 36151 1 1345 . 1 . 1 124 124 LEU HD21 H 1 1.138 0.016 . . . . . . A 124 LEU HD21 . 36151 1 1346 . 1 . 1 124 124 LEU HD22 H 1 1.138 0.016 . . . . . . A 124 LEU HD22 . 36151 1 1347 . 1 . 1 124 124 LEU HD23 H 1 1.138 0.016 . . . . . . A 124 LEU HD23 . 36151 1 1348 . 1 . 1 124 124 LEU C C 13 178.136 0 . 1 . . . . A 124 LEU C . 36151 1 1349 . 1 . 1 124 124 LEU CA C 13 57.563 0.051 . 1 . . . . A 124 LEU CA . 36151 1 1350 . 1 . 1 124 124 LEU CB C 13 42.288 0.029 . 1 . . . . A 124 LEU CB . 36151 1 1351 . 1 . 1 124 124 LEU CG C 13 27.788 0.174 . 1 . . . . A 124 LEU CG . 36151 1 1352 . 1 . 1 124 124 LEU CD1 C 13 26.35 0.059 . . . . . . A 124 LEU CD1 . 36151 1 1353 . 1 . 1 124 124 LEU CD2 C 13 26.35 0.059 . . . . . . A 124 LEU CD2 . 36151 1 1354 . 1 . 1 124 124 LEU N N 15 116.856 0.056 . 1 . . . . A 124 LEU N . 36151 1 1355 . 1 . 1 125 125 HIS H H 1 8.385 0.006 . 1 . . . . A 125 HIS H . 36151 1 1356 . 1 . 1 125 125 HIS HA H 1 4.073 0.003 . 1 . . . . A 125 HIS HA . 36151 1 1357 . 1 . 1 125 125 HIS HB2 H 1 3.174 0.015 . . . . . . A 125 HIS HB2 . 36151 1 1358 . 1 . 1 125 125 HIS HB3 H 1 3.051 0.007 . . . . . . A 125 HIS HB3 . 36151 1 1359 . 1 . 1 125 125 HIS HD1 H 1 11.507 0 . 1 . . . . A 125 HIS HD1 . 36151 1 1360 . 1 . 1 125 125 HIS HD2 H 1 6.987 0.002 . 1 . . . . A 125 HIS HD2 . 36151 1 1361 . 1 . 1 125 125 HIS HE1 H 1 7.943 0.005 . 1 . . . . A 125 HIS HE1 . 36151 1 1362 . 1 . 1 125 125 HIS C C 13 177.964 0 . 1 . . . . A 125 HIS C . 36151 1 1363 . 1 . 1 125 125 HIS CA C 13 58.216 0.089 . 1 . . . . A 125 HIS CA . 36151 1 1364 . 1 . 1 125 125 HIS CB C 13 29.32 0.111 . 1 . . . . A 125 HIS CB . 36151 1 1365 . 1 . 1 125 125 HIS CD2 C 13 115.819 0.019 . 1 . . . . A 125 HIS CD2 . 36151 1 1366 . 1 . 1 125 125 HIS CE1 C 13 135.155 0.034 . 1 . . . . A 125 HIS CE1 . 36151 1 1367 . 1 . 1 125 125 HIS N N 15 113.495 0.04 . 1 . . . . A 125 HIS N . 36151 1 1368 . 1 . 1 126 126 ARG H H 1 7.388 0.004 . 1 . . . . A 126 ARG H . 36151 1 1369 . 1 . 1 126 126 ARG HA H 1 3.717 0.006 . 1 . . . . A 126 ARG HA . 36151 1 1370 . 1 . 1 126 126 ARG HB2 H 1 1.408 0.012 . . . . . . A 126 ARG HB2 . 36151 1 1371 . 1 . 1 126 126 ARG HB3 H 1 1.188 0.045 . . . . . . A 126 ARG HB3 . 36151 1 1372 . 1 . 1 126 126 ARG HG2 H 1 1.098 0.002 . . . . . . A 126 ARG HG2 . 36151 1 1373 . 1 . 1 126 126 ARG HG3 H 1 1.059 0.016 . . . . . . A 126 ARG HG3 . 36151 1 1374 . 1 . 1 126 126 ARG HD2 H 1 3.218 0.001 . . . . . . A 126 ARG HD2 . 36151 1 1375 . 1 . 1 126 126 ARG HD3 H 1 3.123 0.009 . . . . . . A 126 ARG HD3 . 36151 1 1376 . 1 . 1 126 126 ARG C C 13 176.817 0.146 . 1 . . . . A 126 ARG C . 36151 1 1377 . 1 . 1 126 126 ARG CA C 13 58.745 0.099 . 1 . . . . A 126 ARG CA . 36151 1 1378 . 1 . 1 126 126 ARG CB C 13 29.417 0.085 . 1 . . . . A 126 ARG CB . 36151 1 1379 . 1 . 1 126 126 ARG CG C 13 28.75 0.132 . 1 . . . . A 126 ARG CG . 36151 1 1380 . 1 . 1 126 126 ARG CD C 13 43.231 0.035 . 1 . . . . A 126 ARG CD . 36151 1 1381 . 1 . 1 126 126 ARG N N 15 122.463 0.056 . 1 . . . . A 126 ARG N . 36151 1 1382 . 1 . 1 127 127 HIS H H 1 7.343 0.003 . 1 . . . . A 127 HIS H . 36151 1 1383 . 1 . 1 127 127 HIS HA H 1 4.578 0.015 . 1 . . . . A 127 HIS HA . 36151 1 1384 . 1 . 1 127 127 HIS HB2 H 1 2.887 0.011 . . . . . . A 127 HIS HB2 . 36151 1 1385 . 1 . 1 127 127 HIS HB3 H 1 2.735 0.005 . . . . . . A 127 HIS HB3 . 36151 1 1386 . 1 . 1 127 127 HIS HD1 H 1 10.917 0 . 1 . . . . A 127 HIS HD1 . 36151 1 1387 . 1 . 1 127 127 HIS HD2 H 1 7.303 0.006 . 1 . . . . A 127 HIS HD2 . 36151 1 1388 . 1 . 1 127 127 HIS HE1 H 1 7.444 0.001 . 1 . . . . A 127 HIS HE1 . 36151 1 1389 . 1 . 1 127 127 HIS C C 13 176.521 0.146 . 1 . . . . A 127 HIS C . 36151 1 1390 . 1 . 1 127 127 HIS CA C 13 56.944 0.031 . 1 . . . . A 127 HIS CA . 36151 1 1391 . 1 . 1 127 127 HIS CB C 13 28.503 0.056 . 1 . . . . A 127 HIS CB . 36151 1 1392 . 1 . 1 127 127 HIS CD2 C 13 125.019 0.08 . 1 . . . . A 127 HIS CD2 . 36151 1 1393 . 1 . 1 127 127 HIS CE1 C 13 133.685 0.031 . 1 . . . . A 127 HIS CE1 . 36151 1 1394 . 1 . 1 127 127 HIS N N 15 112.395 0.048 . 1 . . . . A 127 HIS N . 36151 1 1395 . 1 . 1 128 128 GLY H H 1 8.002 0.004 . 1 . . . . A 128 GLY H . 36151 1 1396 . 1 . 1 128 128 GLY HA2 H 1 4.07 0.007 . . . . . . A 128 GLY HA2 . 36151 1 1397 . 1 . 1 128 128 GLY HA3 H 1 3.814 0.019 . . . . . . A 128 GLY HA3 . 36151 1 1398 . 1 . 1 128 128 GLY CA C 13 46.254 0.054 . 1 . . . . A 128 GLY CA . 36151 1 1399 . 1 . 1 128 128 GLY N N 15 108.454 0.077 . 1 . . . . A 128 GLY N . 36151 1 1400 . 1 . 1 129 129 ASP HA H 1 4.488 0.005 . 1 . . . . A 129 ASP HA . 36151 1 1401 . 1 . 1 129 129 ASP HB2 H 1 2.756 0.004 . . . . . . A 129 ASP HB2 . 36151 1 1402 . 1 . 1 129 129 ASP HB3 H 1 2.756 0.004 . . . . . . A 129 ASP HB3 . 36151 1 1403 . 1 . 1 129 129 ASP C C 13 177.263 0 . 1 . . . . A 129 ASP C . 36151 1 1404 . 1 . 1 129 129 ASP CA C 13 56.686 0.004 . 1 . . . . A 129 ASP CA . 36151 1 1405 . 1 . 1 129 129 ASP CB C 13 40.3 0 . 1 . . . . A 129 ASP CB . 36151 1 1406 . 1 . 1 130 130 GLY H H 1 8.294 0.009 . 1 . . . . A 130 GLY H . 36151 1 1407 . 1 . 1 130 130 GLY HA2 H 1 4.172 0.015 . . . . . . A 130 GLY HA2 . 36151 1 1408 . 1 . 1 130 130 GLY HA3 H 1 3.785 0.007 . . . . . . A 130 GLY HA3 . 36151 1 1409 . 1 . 1 130 130 GLY C C 13 174.714 0 . 1 . . . . A 130 GLY C . 36151 1 1410 . 1 . 1 130 130 GLY CA C 13 45.996 0.317 . 1 . . . . A 130 GLY CA . 36151 1 1411 . 1 . 1 130 130 GLY N N 15 109.209 0.03 . 1 . . . . A 130 GLY N . 36151 1 1412 . 1 . 1 131 131 ALA H H 1 8.075 0.004 . 1 . . . . A 131 ALA H . 36151 1 1413 . 1 . 1 131 131 ALA HA H 1 3.724 0.003 . 1 . . . . A 131 ALA HA . 36151 1 1414 . 1 . 1 131 131 ALA HB1 H 1 1.363 0.003 . 1 . . . . A 131 ALA HB1 . 36151 1 1415 . 1 . 1 131 131 ALA HB2 H 1 1.363 0.003 . 1 . . . . A 131 ALA HB2 . 36151 1 1416 . 1 . 1 131 131 ALA HB3 H 1 1.363 0.003 . 1 . . . . A 131 ALA HB3 . 36151 1 1417 . 1 . 1 131 131 ALA C C 13 179.263 0 . 1 . . . . A 131 ALA C . 36151 1 1418 . 1 . 1 131 131 ALA CA C 13 56.088 0.08 . 1 . . . . A 131 ALA CA . 36151 1 1419 . 1 . 1 131 131 ALA CB C 13 20.324 0.205 . 1 . . . . A 131 ALA CB . 36151 1 1420 . 1 . 1 131 131 ALA N N 15 123.154 0.044 . 1 . . . . A 131 ALA N . 36151 1 1421 . 1 . 1 132 132 TRP H H 1 8.55 0.013 . 1 . . . . A 132 TRP H . 36151 1 1422 . 1 . 1 132 132 TRP HA H 1 4.562 0.005 . 1 . . . . A 132 TRP HA . 36151 1 1423 . 1 . 1 132 132 TRP HB2 H 1 3.398 0.013 . . . . . . A 132 TRP HB2 . 36151 1 1424 . 1 . 1 132 132 TRP HB3 H 1 3.217 0.016 . . . . . . A 132 TRP HB3 . 36151 1 1425 . 1 . 1 132 132 TRP HD1 H 1 7.361 0.012 . 1 . . . . A 132 TRP HD1 . 36151 1 1426 . 1 . 1 132 132 TRP HE1 H 1 10.217 0.001 . 1 . . . . A 132 TRP HE1 . 36151 1 1427 . 1 . 1 132 132 TRP HE3 H 1 7.396 0.003 . 1 . . . . A 132 TRP HE3 . 36151 1 1428 . 1 . 1 132 132 TRP HZ2 H 1 7.677 0.021 . 1 . . . . A 132 TRP HZ2 . 36151 1 1429 . 1 . 1 132 132 TRP HZ3 H 1 7.048 0.02 . 1 . . . . A 132 TRP HZ3 . 36151 1 1430 . 1 . 1 132 132 TRP HH2 H 1 6.549 0.005 . 1 . . . . A 132 TRP HH2 . 36151 1 1431 . 1 . 1 132 132 TRP C C 13 179.191 0 . 1 . . . . A 132 TRP C . 36151 1 1432 . 1 . 1 132 132 TRP CA C 13 60.723 0.092 . 1 . . . . A 132 TRP CA . 36151 1 1433 . 1 . 1 132 132 TRP CB C 13 28.815 0.052 . 1 . . . . A 132 TRP CB . 36151 1 1434 . 1 . 1 132 132 TRP CD1 C 13 122.035 0.015 . 1 . . . . A 132 TRP CD1 . 36151 1 1435 . 1 . 1 132 132 TRP CE3 C 13 110.193 0.035 . 1 . . . . A 132 TRP CE3 . 36151 1 1436 . 1 . 1 132 132 TRP CZ3 C 13 119.464 0.024 . 1 . . . . A 132 TRP CZ3 . 36151 1 1437 . 1 . 1 132 132 TRP CH2 C 13 116.669 0.046 . 1 . . . . A 132 TRP CH2 . 36151 1 1438 . 1 . 1 132 132 TRP N N 15 115.52 0.031 . 1 . . . . A 132 TRP N . 36151 1 1439 . 1 . 1 132 132 TRP NE1 N 15 128.965 0 . 1 . . . . A 132 TRP NE1 . 36151 1 1440 . 1 . 1 133 133 ASN H H 1 8.11 0.008 . 1 . . . . A 133 ASN H . 36151 1 1441 . 1 . 1 133 133 ASN HA H 1 4.586 0.007 . 1 . . . . A 133 ASN HA . 36151 1 1442 . 1 . 1 133 133 ASN HB2 H 1 2.983 0.007 . . . . . . A 133 ASN HB2 . 36151 1 1443 . 1 . 1 133 133 ASN HB3 H 1 2.858 0.008 . . . . . . A 133 ASN HB3 . 36151 1 1444 . 1 . 1 133 133 ASN HD21 H 1 7.062 0.006 . . . . . . A 133 ASN HD21 . 36151 1 1445 . 1 . 1 133 133 ASN HD22 H 1 7.561 0.009 . . . . . . A 133 ASN HD22 . 36151 1 1446 . 1 . 1 133 133 ASN C C 13 178.548 0 . 1 . . . . A 133 ASN C . 36151 1 1447 . 1 . 1 133 133 ASN CA C 13 55.841 0.034 . 1 . . . . A 133 ASN CA . 36151 1 1448 . 1 . 1 133 133 ASN CB C 13 37.745 0.042 . 1 . . . . A 133 ASN CB . 36151 1 1449 . 1 . 1 133 133 ASN N N 15 119.253 0.046 . 1 . . . . A 133 ASN N . 36151 1 1450 . 1 . 1 133 133 ASN ND2 N 15 111.771 0.081 . 1 . . . . A 133 ASN ND2 . 36151 1 1451 . 1 . 1 134 134 ILE H H 1 7.557 0 . 1 . . . . A 134 ILE H . 36151 1 1452 . 1 . 1 134 134 ILE HA H 1 3.768 0.012 . 1 . . . . A 134 ILE HA . 36151 1 1453 . 1 . 1 134 134 ILE HB H 1 1.728 0.008 . 1 . . . . A 134 ILE HB . 36151 1 1454 . 1 . 1 134 134 ILE HG12 H 1 0.831 0.014 . . . . . . A 134 ILE HG12 . 36151 1 1455 . 1 . 1 134 134 ILE HG13 H 1 0.257 0.015 . . . . . . A 134 ILE HG13 . 36151 1 1456 . 1 . 1 134 134 ILE HG21 H 1 0.739 0.013 . 1 . . . . A 134 ILE HG21 . 36151 1 1457 . 1 . 1 134 134 ILE HG22 H 1 0.739 0.013 . 1 . . . . A 134 ILE HG22 . 36151 1 1458 . 1 . 1 134 134 ILE HG23 H 1 0.739 0.013 . 1 . . . . A 134 ILE HG23 . 36151 1 1459 . 1 . 1 134 134 ILE HD11 H 1 -0.456 0.005 . 1 . . . . A 134 ILE HD11 . 36151 1 1460 . 1 . 1 134 134 ILE HD12 H 1 -0.456 0.005 . 1 . . . . A 134 ILE HD12 . 36151 1 1461 . 1 . 1 134 134 ILE HD13 H 1 -0.456 0.005 . 1 . . . . A 134 ILE HD13 . 36151 1 1462 . 1 . 1 134 134 ILE C C 13 177.248 0 . 1 . . . . A 134 ILE C . 36151 1 1463 . 1 . 1 134 134 ILE CA C 13 64.509 0.096 . 1 . . . . A 134 ILE CA . 36151 1 1464 . 1 . 1 134 134 ILE CB C 13 37.453 0.068 . 1 . . . . A 134 ILE CB . 36151 1 1465 . 1 . 1 134 134 ILE CG1 C 13 27.954 0.079 . 1 . . . . A 134 ILE CG1 . 36151 1 1466 . 1 . 1 134 134 ILE CG2 C 13 17.947 0.051 . 1 . . . . A 134 ILE CG2 . 36151 1 1467 . 1 . 1 134 134 ILE CD1 C 13 10.174 0.098 . 1 . . . . A 134 ILE CD1 . 36151 1 1468 . 1 . 1 134 134 ILE N N 15 122.312 0.029 . 1 . . . . A 134 ILE N . 36151 1 1469 . 1 . 1 135 135 HIS H H 1 8.54 0.012 . 1 . . . . A 135 HIS H . 36151 1 1470 . 1 . 1 135 135 HIS HA H 1 3.63 0.022 . 1 . . . . A 135 HIS HA . 36151 1 1471 . 1 . 1 135 135 HIS HB2 H 1 3.364 0.011 . . . . . . A 135 HIS HB2 . 36151 1 1472 . 1 . 1 135 135 HIS HB3 H 1 2.831 0.007 . . . . . . A 135 HIS HB3 . 36151 1 1473 . 1 . 1 135 135 HIS HD2 H 1 7.697 0.004 . 1 . . . . A 135 HIS HD2 . 36151 1 1474 . 1 . 1 135 135 HIS HE1 H 1 7.647 0.002 . 1 . . . . A 135 HIS HE1 . 36151 1 1475 . 1 . 1 135 135 HIS C C 13 177.115 0 . 1 . . . . A 135 HIS C . 36151 1 1476 . 1 . 1 135 135 HIS CA C 13 63.305 0 . 1 . . . . A 135 HIS CA . 36151 1 1477 . 1 . 1 135 135 HIS CB C 13 31.566 0.082 . 1 . . . . A 135 HIS CB . 36151 1 1478 . 1 . 1 135 135 HIS CD2 C 13 115.608 0.036 . 1 . . . . A 135 HIS CD2 . 36151 1 1479 . 1 . 1 135 135 HIS CE1 C 13 132.578 0.047 . 1 . . . . A 135 HIS CE1 . 36151 1 1480 . 1 . 1 135 135 HIS N N 15 119.184 0.048 . 1 . . . . A 135 HIS N . 36151 1 1481 . 1 . 1 136 136 LYS H H 1 8.416 0.007 . 1 . . . . A 136 LYS H . 36151 1 1482 . 1 . 1 136 136 LYS HA H 1 4.077 0.005 . 1 . . . . A 136 LYS HA . 36151 1 1483 . 1 . 1 136 136 LYS HB2 H 1 2.243 0.006 . . . . . . A 136 LYS HB2 . 36151 1 1484 . 1 . 1 136 136 LYS HB3 H 1 2.028 0.009 . . . . . . A 136 LYS HB3 . 36151 1 1485 . 1 . 1 136 136 LYS HG2 H 1 1.679 0.002 . . . . . . A 136 LYS HG2 . 36151 1 1486 . 1 . 1 136 136 LYS HG3 H 1 1.624 0.002 . . . . . . A 136 LYS HG3 . 36151 1 1487 . 1 . 1 136 136 LYS HD2 H 1 1.811 0.008 . . . . . . A 136 LYS HD2 . 36151 1 1488 . 1 . 1 136 136 LYS HD3 H 1 1.811 0.008 . . . . . . A 136 LYS HD3 . 36151 1 1489 . 1 . 1 136 136 LYS HE2 H 1 3.042 0.015 . . . . . . A 136 LYS HE2 . 36151 1 1490 . 1 . 1 136 136 LYS HE3 H 1 3.042 0.015 . . . . . . A 136 LYS HE3 . 36151 1 1491 . 1 . 1 136 136 LYS C C 13 178.811 0 . 1 . . . . A 136 LYS C . 36151 1 1492 . 1 . 1 136 136 LYS CA C 13 59.191 0.085 . 1 . . . . A 136 LYS CA . 36151 1 1493 . 1 . 1 136 136 LYS CB C 13 32.527 0.03 . 1 . . . . A 136 LYS CB . 36151 1 1494 . 1 . 1 136 136 LYS CG C 13 25.012 0.039 . 1 . . . . A 136 LYS CG . 36151 1 1495 . 1 . 1 136 136 LYS CD C 13 29.317 0.055 . 1 . . . . A 136 LYS CD . 36151 1 1496 . 1 . 1 136 136 LYS CE C 13 42.041 0.073 . 1 . . . . A 136 LYS CE . 36151 1 1497 . 1 . 1 136 136 LYS N N 15 116.385 0.075 . 1 . . . . A 136 LYS N . 36151 1 1498 . 1 . 1 137 137 ALA H H 1 7.478 0.006 . 1 . . . . A 137 ALA H . 36151 1 1499 . 1 . 1 137 137 ALA HA H 1 4.249 0.01 . 1 . . . . A 137 ALA HA . 36151 1 1500 . 1 . 1 137 137 ALA HB1 H 1 1.748 0.004 . 1 . . . . A 137 ALA HB1 . 36151 1 1501 . 1 . 1 137 137 ALA HB2 H 1 1.748 0.004 . 1 . . . . A 137 ALA HB2 . 36151 1 1502 . 1 . 1 137 137 ALA HB3 H 1 1.748 0.004 . 1 . . . . A 137 ALA HB3 . 36151 1 1503 . 1 . 1 137 137 ALA C C 13 179.197 0 . 1 . . . . A 137 ALA C . 36151 1 1504 . 1 . 1 137 137 ALA CA C 13 53.892 0.048 . 1 . . . . A 137 ALA CA . 36151 1 1505 . 1 . 1 137 137 ALA CB C 13 19.366 0.103 . 1 . . . . A 137 ALA CB . 36151 1 1506 . 1 . 1 137 137 ALA N N 15 119.005 0.049 . 1 . . . . A 137 ALA N . 36151 1 1507 . 1 . 1 138 138 LEU H H 1 7.751 0.004 . 1 . . . . A 138 LEU H . 36151 1 1508 . 1 . 1 138 138 LEU HA H 1 4.225 0.003 . 1 . . . . A 138 LEU HA . 36151 1 1509 . 1 . 1 138 138 LEU HB2 H 1 1.646 0.016 . . . . . . A 138 LEU HB2 . 36151 1 1510 . 1 . 1 138 138 LEU HB3 H 1 1.085 0.009 . . . . . . A 138 LEU HB3 . 36151 1 1511 . 1 . 1 138 138 LEU HG H 1 1.939 0.006 . 1 . . . . A 138 LEU HG . 36151 1 1512 . 1 . 1 138 138 LEU HD11 H 1 0.217 0.009 . . . . . . A 138 LEU HD11 . 36151 1 1513 . 1 . 1 138 138 LEU HD12 H 1 0.217 0.009 . . . . . . A 138 LEU HD12 . 36151 1 1514 . 1 . 1 138 138 LEU HD13 H 1 0.217 0.009 . . . . . . A 138 LEU HD13 . 36151 1 1515 . 1 . 1 138 138 LEU HD21 H 1 0.564 0.016 . . . . . . A 138 LEU HD21 . 36151 1 1516 . 1 . 1 138 138 LEU HD22 H 1 0.564 0.016 . . . . . . A 138 LEU HD22 . 36151 1 1517 . 1 . 1 138 138 LEU HD23 H 1 0.564 0.016 . . . . . . A 138 LEU HD23 . 36151 1 1518 . 1 . 1 138 138 LEU C C 13 177.715 0 . 1 . . . . A 138 LEU C . 36151 1 1519 . 1 . 1 138 138 LEU CA C 13 55.202 0.047 . 1 . . . . A 138 LEU CA . 36151 1 1520 . 1 . 1 138 138 LEU CB C 13 44.645 0.067 . 1 . . . . A 138 LEU CB . 36151 1 1521 . 1 . 1 138 138 LEU CD1 C 13 25.068 0.035 . . . . . . A 138 LEU CD1 . 36151 1 1522 . 1 . 1 138 138 LEU CD2 C 13 21.235 0.053 . . . . . . A 138 LEU CD2 . 36151 1 1523 . 1 . 1 138 138 LEU N N 15 116.852 0.079 . 1 . . . . A 138 LEU N . 36151 1 1524 . 1 . 1 139 139 ASP H H 1 8.083 0.005 . 1 . . . . A 139 ASP H . 36151 1 1525 . 1 . 1 139 139 ASP HA H 1 4.318 0.008 . 1 . . . . A 139 ASP HA . 36151 1 1526 . 1 . 1 139 139 ASP HB2 H 1 2.456 0.003 . . . . . . A 139 ASP HB2 . 36151 1 1527 . 1 . 1 139 139 ASP HB3 H 1 2.046 0.011 . . . . . . A 139 ASP HB3 . 36151 1 1528 . 1 . 1 139 139 ASP C C 13 175.767 0 . 1 . . . . A 139 ASP C . 36151 1 1529 . 1 . 1 139 139 ASP CA C 13 55.281 0.049 . 1 . . . . A 139 ASP CA . 36151 1 1530 . 1 . 1 139 139 ASP CB C 13 40.99 0.03 . 1 . . . . A 139 ASP CB . 36151 1 1531 . 1 . 1 139 139 ASP N N 15 119.229 0.076 . 1 . . . . A 139 ASP N . 36151 1 1532 . 1 . 1 140 140 GLY H H 1 7.541 0.004 . 1 . . . . A 140 GLY H . 36151 1 1533 . 1 . 1 140 140 GLY HA2 H 1 4.401 0.005 . . . . . . A 140 GLY HA2 . 36151 1 1534 . 1 . 1 140 140 GLY HA3 H 1 3.986 0.002 . . . . . . A 140 GLY HA3 . 36151 1 1535 . 1 . 1 140 140 GLY CA C 13 44.864 0.051 . 1 . . . . A 140 GLY CA . 36151 1 1536 . 1 . 1 140 140 GLY N N 15 111.508 0.038 . 1 . . . . A 140 GLY N . 36151 1 1537 . 1 . 1 141 141 PRO HA H 1 4.618 0.007 . 1 . . . . A 141 PRO HA . 36151 1 1538 . 1 . 1 141 141 PRO HB2 H 1 2.04 0.014 . . . . . . A 141 PRO HB2 . 36151 1 1539 . 1 . 1 141 141 PRO HB3 H 1 2.04 0.014 . . . . . . A 141 PRO HB3 . 36151 1 1540 . 1 . 1 141 141 PRO HG2 H 1 2.341 0.008 . . . . . . A 141 PRO HG2 . 36151 1 1541 . 1 . 1 141 141 PRO HG3 H 1 2.341 0.008 . . . . . . A 141 PRO HG3 . 36151 1 1542 . 1 . 1 141 141 PRO HD2 H 1 3.564 0.009 . . . . . . A 141 PRO HD2 . 36151 1 1543 . 1 . 1 141 141 PRO HD3 H 1 3.564 0.009 . . . . . . A 141 PRO HD3 . 36151 1 1544 . 1 . 1 141 141 PRO C C 13 177.742 0 . 1 . . . . A 141 PRO C . 36151 1 1545 . 1 . 1 141 141 PRO CA C 13 62.319 0.149 . 1 . . . . A 141 PRO CA . 36151 1 1546 . 1 . 1 141 141 PRO CB C 13 32.545 0.025 . 1 . . . . A 141 PRO CB . 36151 1 1547 . 1 . 1 141 141 PRO CG C 13 26.573 0 . 1 . . . . A 141 PRO CG . 36151 1 1548 . 1 . 1 141 141 PRO CD C 13 49.507 0.121 . 1 . . . . A 141 PRO CD . 36151 1 1549 . 1 . 1 142 142 SER H H 1 8.717 0.009 . 1 . . . . A 142 SER H . 36151 1 1550 . 1 . 1 142 142 SER HA H 1 4.257 0.005 . 1 . . . . A 142 SER HA . 36151 1 1551 . 1 . 1 142 142 SER HB2 H 1 3.823 0.005 . . . . . . A 142 SER HB2 . 36151 1 1552 . 1 . 1 142 142 SER HB3 H 1 3.823 0.005 . . . . . . A 142 SER HB3 . 36151 1 1553 . 1 . 1 142 142 SER CA C 13 59.722 0.089 . 1 . . . . A 142 SER CA . 36151 1 1554 . 1 . 1 142 142 SER CB C 13 62.728 0.009 . 1 . . . . A 142 SER CB . 36151 1 1555 . 1 . 1 142 142 SER N N 15 117.72 0.065 . 1 . . . . A 142 SER N . 36151 1 1556 . 1 . 1 143 143 PRO HA H 1 4.712 0.003 . 1 . . . . A 143 PRO HA . 36151 1 1557 . 1 . 1 143 143 PRO HB2 H 1 2.323 0.005 . . . . . . A 143 PRO HB2 . 36151 1 1558 . 1 . 1 143 143 PRO HB3 H 1 2.038 0 . . . . . . A 143 PRO HB3 . 36151 1 1559 . 1 . 1 143 143 PRO HD2 H 1 3.744 0.012 . . . . . . A 143 PRO HD2 . 36151 1 1560 . 1 . 1 143 143 PRO HD3 H 1 3.54 0 . . . . . . A 143 PRO HD3 . 36151 1 1561 . 1 . 1 143 143 PRO C C 13 175.743 0 . 1 . . . . A 143 PRO C . 36151 1 1562 . 1 . 1 143 143 PRO CA C 13 64.502 0 . 1 . . . . A 143 PRO CA . 36151 1 1563 . 1 . 1 143 143 PRO CB C 13 34.86 0.089 . 1 . . . . A 143 PRO CB . 36151 1 1564 . 1 . 1 143 143 PRO CG C 13 27.767 0 . 1 . . . . A 143 PRO CG . 36151 1 1565 . 1 . 1 144 144 GLY H H 1 7.917 0.005 . 1 . . . . A 144 GLY H . 36151 1 1566 . 1 . 1 144 144 GLY HA2 H 1 4.275 0.009 . . . . . . A 144 GLY HA2 . 36151 1 1567 . 1 . 1 144 144 GLY HA3 H 1 3.877 0.007 . . . . . . A 144 GLY HA3 . 36151 1 1568 . 1 . 1 144 144 GLY C C 13 172.789 0 . 1 . . . . A 144 GLY C . 36151 1 1569 . 1 . 1 144 144 GLY CA C 13 44.505 0.02 . 1 . . . . A 144 GLY CA . 36151 1 1570 . 1 . 1 144 144 GLY N N 15 109.114 0.046 . 1 . . . . A 144 GLY N . 36151 1 1571 . 1 . 1 145 145 GLU H H 1 8.387 0.003 . 1 . . . . A 145 GLU H . 36151 1 1572 . 1 . 1 145 145 GLU HA H 1 3.918 0.009 . 1 . . . . A 145 GLU HA . 36151 1 1573 . 1 . 1 145 145 GLU HB2 H 1 2.023 0 . . . . . . A 145 GLU HB2 . 36151 1 1574 . 1 . 1 145 145 GLU HB3 H 1 1.905 0.003 . . . . . . A 145 GLU HB3 . 36151 1 1575 . 1 . 1 145 145 GLU HG2 H 1 2.296 0.007 . . . . . . A 145 GLU HG2 . 36151 1 1576 . 1 . 1 145 145 GLU HG3 H 1 2.296 0.007 . . . . . . A 145 GLU HG3 . 36151 1 1577 . 1 . 1 145 145 GLU C C 13 178.777 0 . 1 . . . . A 145 GLU C . 36151 1 1578 . 1 . 1 145 145 GLU CA C 13 59.997 0.081 . 1 . . . . A 145 GLU CA . 36151 1 1579 . 1 . 1 145 145 GLU CB C 13 29.965 0.05 . 1 . . . . A 145 GLU CB . 36151 1 1580 . 1 . 1 145 145 GLU N N 15 118.199 0.043 . 1 . . . . A 145 GLU N . 36151 1 1581 . 1 . 1 146 146 THR H H 1 7.657 0.023 . 1 . . . . A 146 THR H . 36151 1 1582 . 1 . 1 146 146 THR HA H 1 3.93 0.025 . 1 . . . . A 146 THR HA . 36151 1 1583 . 1 . 1 146 146 THR HB H 1 3.68 0.011 . 1 . . . . A 146 THR HB . 36151 1 1584 . 1 . 1 146 146 THR HG21 H 1 0.962 0.008 . 1 . . . . A 146 THR HG21 . 36151 1 1585 . 1 . 1 146 146 THR HG22 H 1 0.962 0.008 . 1 . . . . A 146 THR HG22 . 36151 1 1586 . 1 . 1 146 146 THR HG23 H 1 0.962 0.008 . 1 . . . . A 146 THR HG23 . 36151 1 1587 . 1 . 1 146 146 THR C C 13 175.662 0 . 1 . . . . A 146 THR C . 36151 1 1588 . 1 . 1 146 146 THR CA C 13 56.776 0 . 1 . . . . A 146 THR CA . 36151 1 1589 . 1 . 1 146 146 THR CB C 13 67.765 0.051 . 1 . . . . A 146 THR CB . 36151 1 1590 . 1 . 1 146 146 THR CG2 C 13 22.693 0.029 . 1 . . . . A 146 THR CG2 . 36151 1 1591 . 1 . 1 146 146 THR N N 15 115.768 0.052 . 1 . . . . A 146 THR N . 36151 1 1592 . 1 . 1 147 147 LEU H H 1 8.598 0.018 . 1 . . . . A 147 LEU H . 36151 1 1593 . 1 . 1 147 147 LEU HA H 1 3.97 0.013 . 1 . . . . A 147 LEU HA . 36151 1 1594 . 1 . 1 147 147 LEU HB2 H 1 1.942 0.011 . . . . . . A 147 LEU HB2 . 36151 1 1595 . 1 . 1 147 147 LEU HB3 H 1 1.027 0.011 . . . . . . A 147 LEU HB3 . 36151 1 1596 . 1 . 1 147 147 LEU HG H 1 1.628 0.013 . 1 . . . . A 147 LEU HG . 36151 1 1597 . 1 . 1 147 147 LEU HD11 H 1 0.319 0.019 . . . . . . A 147 LEU HD11 . 36151 1 1598 . 1 . 1 147 147 LEU HD12 H 1 0.319 0.019 . . . . . . A 147 LEU HD12 . 36151 1 1599 . 1 . 1 147 147 LEU HD13 H 1 0.319 0.019 . . . . . . A 147 LEU HD13 . 36151 1 1600 . 1 . 1 147 147 LEU HD21 H 1 0.748 0.012 . . . . . . A 147 LEU HD21 . 36151 1 1601 . 1 . 1 147 147 LEU HD22 H 1 0.748 0.012 . . . . . . A 147 LEU HD22 . 36151 1 1602 . 1 . 1 147 147 LEU HD23 H 1 0.748 0.012 . . . . . . A 147 LEU HD23 . 36151 1 1603 . 1 . 1 147 147 LEU C C 13 179.098 0 . 1 . . . . A 147 LEU C . 36151 1 1604 . 1 . 1 147 147 LEU CA C 13 56.859 0.051 . 1 . . . . A 147 LEU CA . 36151 1 1605 . 1 . 1 147 147 LEU CB C 13 39.696 0.062 . 1 . . . . A 147 LEU CB . 36151 1 1606 . 1 . 1 147 147 LEU CG C 13 26.279 0.052 . 1 . . . . A 147 LEU CG . 36151 1 1607 . 1 . 1 147 147 LEU CD1 C 13 24.667 0.054 . . . . . . A 147 LEU CD1 . 36151 1 1608 . 1 . 1 147 147 LEU CD2 C 13 24.667 0.054 . . . . . . A 147 LEU CD2 . 36151 1 1609 . 1 . 1 147 147 LEU N N 15 118.392 0.117 . 1 . . . . A 147 LEU N . 36151 1 1610 . 1 . 1 148 148 ALA H H 1 8.397 0.004 . 1 . . . . A 148 ALA H . 36151 1 1611 . 1 . 1 148 148 ALA HA H 1 4.083 0.006 . 1 . . . . A 148 ALA HA . 36151 1 1612 . 1 . 1 148 148 ALA HB1 H 1 1.423 0.009 . 1 . . . . A 148 ALA HB1 . 36151 1 1613 . 1 . 1 148 148 ALA HB2 H 1 1.423 0.009 . 1 . . . . A 148 ALA HB2 . 36151 1 1614 . 1 . 1 148 148 ALA HB3 H 1 1.423 0.009 . 1 . . . . A 148 ALA HB3 . 36151 1 1615 . 1 . 1 148 148 ALA C C 13 181.037 0 . 1 . . . . A 148 ALA C . 36151 1 1616 . 1 . 1 148 148 ALA CA C 13 55.25 0.043 . 1 . . . . A 148 ALA CA . 36151 1 1617 . 1 . 1 148 148 ALA CB C 13 18.307 0.101 . 1 . . . . A 148 ALA CB . 36151 1 1618 . 1 . 1 148 148 ALA N N 15 121.521 0.027 . 1 . . . . A 148 ALA N . 36151 1 1619 . 1 . 1 149 149 ARG H H 1 8.138 0.006 . 1 . . . . A 149 ARG H . 36151 1 1620 . 1 . 1 149 149 ARG HA H 1 4.044 0.01 . 1 . . . . A 149 ARG HA . 36151 1 1621 . 1 . 1 149 149 ARG HB2 H 1 2.369 0.018 . . . . . . A 149 ARG HB2 . 36151 1 1622 . 1 . 1 149 149 ARG HB3 H 1 2.21 0.004 . . . . . . A 149 ARG HB3 . 36151 1 1623 . 1 . 1 149 149 ARG HG2 H 1 2.044 0.007 . . . . . . A 149 ARG HG2 . 36151 1 1624 . 1 . 1 149 149 ARG HG3 H 1 1.754 0.006 . . . . . . A 149 ARG HG3 . 36151 1 1625 . 1 . 1 149 149 ARG HD2 H 1 2.878 0.013 . . . . . . A 149 ARG HD2 . 36151 1 1626 . 1 . 1 149 149 ARG HD3 H 1 2.878 0.013 . . . . . . A 149 ARG HD3 . 36151 1 1627 . 1 . 1 149 149 ARG C C 13 179.925 0 . 1 . . . . A 149 ARG C . 36151 1 1628 . 1 . 1 149 149 ARG CA C 13 59.891 0.04 . 1 . . . . A 149 ARG CA . 36151 1 1629 . 1 . 1 149 149 ARG CB C 13 31.053 0.088 . 1 . . . . A 149 ARG CB . 36151 1 1630 . 1 . 1 149 149 ARG N N 15 118.506 0.058 . 1 . . . . A 149 ARG N . 36151 1 1631 . 1 . 1 150 150 PHE H H 1 8.4 0.032 . 1 . . . . A 150 PHE H . 36151 1 1632 . 1 . 1 150 150 PHE HA H 1 3.837 0.017 . 1 . . . . A 150 PHE HA . 36151 1 1633 . 1 . 1 150 150 PHE HB2 H 1 2.902 0.007 . . . . . . A 150 PHE HB2 . 36151 1 1634 . 1 . 1 150 150 PHE HB3 H 1 2.436 0.005 . . . . . . A 150 PHE HB3 . 36151 1 1635 . 1 . 1 150 150 PHE HD1 H 1 6.273 0.016 . . . . . . A 150 PHE HD1 . 36151 1 1636 . 1 . 1 150 150 PHE HD2 H 1 6.273 0.016 . . . . . . A 150 PHE HD2 . 36151 1 1637 . 1 . 1 150 150 PHE HE1 H 1 7.148 0 . . . . . . A 150 PHE HE1 . 36151 1 1638 . 1 . 1 150 150 PHE HE2 H 1 6.935 0.002 . . . . . . A 150 PHE HE2 . 36151 1 1639 . 1 . 1 150 150 PHE HZ H 1 7.294 0.021 . 1 . . . . A 150 PHE HZ . 36151 1 1640 . 1 . 1 150 150 PHE C C 13 175.673 0 . 1 . . . . A 150 PHE C . 36151 1 1641 . 1 . 1 150 150 PHE CA C 13 61.473 0 . 1 . . . . A 150 PHE CA . 36151 1 1642 . 1 . 1 150 150 PHE CB C 13 38.74 0.06 . 1 . . . . A 150 PHE CB . 36151 1 1643 . 1 . 1 150 150 PHE CD1 C 13 126.016 0.039 . . . . . . A 150 PHE CD1 . 36151 1 1644 . 1 . 1 150 150 PHE CD2 C 13 126.016 0.039 . . . . . . A 150 PHE CD2 . 36151 1 1645 . 1 . 1 150 150 PHE CE1 C 13 125.513 0.126 . . . . . . A 150 PHE CE1 . 36151 1 1646 . 1 . 1 150 150 PHE CE2 C 13 125.513 0.126 . . . . . . A 150 PHE CE2 . 36151 1 1647 . 1 . 1 150 150 PHE CZ C 13 124.229 0.146 . 1 . . . . A 150 PHE CZ . 36151 1 1648 . 1 . 1 150 150 PHE N N 15 121.314 0.023 . 1 . . . . A 150 PHE N . 36151 1 1649 . 1 . 1 151 151 ALA H H 1 8.563 0.006 . 1 . . . . A 151 ALA H . 36151 1 1650 . 1 . 1 151 151 ALA HA H 1 3.567 0.007 . 1 . . . . A 151 ALA HA . 36151 1 1651 . 1 . 1 151 151 ALA HB1 H 1 1.399 0.006 . 1 . . . . A 151 ALA HB1 . 36151 1 1652 . 1 . 1 151 151 ALA HB2 H 1 1.399 0.006 . 1 . . . . A 151 ALA HB2 . 36151 1 1653 . 1 . 1 151 151 ALA HB3 H 1 1.399 0.006 . 1 . . . . A 151 ALA HB3 . 36151 1 1654 . 1 . 1 151 151 ALA C C 13 179.037 0 . 1 . . . . A 151 ALA C . 36151 1 1655 . 1 . 1 151 151 ALA CA C 13 54.684 0.053 . 1 . . . . A 151 ALA CA . 36151 1 1656 . 1 . 1 151 151 ALA CB C 13 17.794 0.122 . 1 . . . . A 151 ALA CB . 36151 1 1657 . 1 . 1 151 151 ALA N N 15 120.019 0.043 . 1 . . . . A 151 ALA N . 36151 1 1658 . 1 . 1 152 152 ASN H H 1 7.552 0.004 . 1 . . . . A 152 ASN H . 36151 1 1659 . 1 . 1 152 152 ASN HA H 1 4.516 0.011 . 1 . . . . A 152 ASN HA . 36151 1 1660 . 1 . 1 152 152 ASN HB2 H 1 2.893 0.002 . . . . . . A 152 ASN HB2 . 36151 1 1661 . 1 . 1 152 152 ASN HB3 H 1 2.841 0.005 . . . . . . A 152 ASN HB3 . 36151 1 1662 . 1 . 1 152 152 ASN HD21 H 1 6.811 0.007 . . . . . . A 152 ASN HD21 . 36151 1 1663 . 1 . 1 152 152 ASN HD22 H 1 7.634 0.004 . . . . . . A 152 ASN HD22 . 36151 1 1664 . 1 . 1 152 152 ASN C C 13 177.618 0 . 1 . . . . A 152 ASN C . 36151 1 1665 . 1 . 1 152 152 ASN CA C 13 55.474 0.054 . 1 . . . . A 152 ASN CA . 36151 1 1666 . 1 . 1 152 152 ASN CB C 13 38.737 0.036 . 1 . . . . A 152 ASN CB . 36151 1 1667 . 1 . 1 152 152 ASN N N 15 114.377 0.029 . 1 . . . . A 152 ASN N . 36151 1 1668 . 1 . 1 152 152 ASN ND2 N 15 111.798 0.287 . 1 . . . . A 152 ASN ND2 . 36151 1 1669 . 1 . 1 153 153 VAL H H 1 7.697 0.003 . 1 . . . . A 153 VAL H . 36151 1 1670 . 1 . 1 153 153 VAL HA H 1 3.955 0.008 . 1 . . . . A 153 VAL HA . 36151 1 1671 . 1 . 1 153 153 VAL HB H 1 2.181 0.007 . 1 . . . . A 153 VAL HB . 36151 1 1672 . 1 . 1 153 153 VAL HG11 H 1 0.928 0.006 . . . . . . A 153 VAL HG11 . 36151 1 1673 . 1 . 1 153 153 VAL HG12 H 1 0.928 0.006 . . . . . . A 153 VAL HG12 . 36151 1 1674 . 1 . 1 153 153 VAL HG13 H 1 0.928 0.006 . . . . . . A 153 VAL HG13 . 36151 1 1675 . 1 . 1 153 153 VAL HG21 H 1 1.048 0.006 . . . . . . A 153 VAL HG21 . 36151 1 1676 . 1 . 1 153 153 VAL HG22 H 1 1.048 0.006 . . . . . . A 153 VAL HG22 . 36151 1 1677 . 1 . 1 153 153 VAL HG23 H 1 1.048 0.006 . . . . . . A 153 VAL HG23 . 36151 1 1678 . 1 . 1 153 153 VAL C C 13 177.721 0 . 1 . . . . A 153 VAL C . 36151 1 1679 . 1 . 1 153 153 VAL CA C 13 64.548 0.075 . 1 . . . . A 153 VAL CA . 36151 1 1680 . 1 . 1 153 153 VAL CB C 13 31.538 0.074 . 1 . . . . A 153 VAL CB . 36151 1 1681 . 1 . 1 153 153 VAL CG1 C 13 21.983 0.086 . . . . . . A 153 VAL CG1 . 36151 1 1682 . 1 . 1 153 153 VAL CG2 C 13 23.216 0.047 . . . . . . A 153 VAL CG2 . 36151 1 1683 . 1 . 1 153 153 VAL N N 15 118.349 0.02 . 1 . . . . A 153 VAL N . 36151 1 1684 . 1 . 1 154 154 ILE H H 1 7.376 0.006 . 1 . . . . A 154 ILE H . 36151 1 1685 . 1 . 1 154 154 ILE HA H 1 3.805 0.013 . 1 . . . . A 154 ILE HA . 36151 1 1686 . 1 . 1 154 154 ILE HB H 1 1.605 0.003 . 1 . . . . A 154 ILE HB . 36151 1 1687 . 1 . 1 154 154 ILE HG12 H 1 1.021 0.013 . . . . . . A 154 ILE HG12 . 36151 1 1688 . 1 . 1 154 154 ILE HG13 H 1 0.9 0.006 . . . . . . A 154 ILE HG13 . 36151 1 1689 . 1 . 1 154 154 ILE HG21 H 1 0.649 0.005 . 1 . . . . A 154 ILE HG21 . 36151 1 1690 . 1 . 1 154 154 ILE HG22 H 1 0.649 0.005 . 1 . . . . A 154 ILE HG22 . 36151 1 1691 . 1 . 1 154 154 ILE HG23 H 1 0.649 0.005 . 1 . . . . A 154 ILE HG23 . 36151 1 1692 . 1 . 1 154 154 ILE HD11 H 1 0.396 0.007 . 1 . . . . A 154 ILE HD11 . 36151 1 1693 . 1 . 1 154 154 ILE HD12 H 1 0.396 0.007 . 1 . . . . A 154 ILE HD12 . 36151 1 1694 . 1 . 1 154 154 ILE HD13 H 1 0.396 0.007 . 1 . . . . A 154 ILE HD13 . 36151 1 1695 . 1 . 1 154 154 ILE CA C 13 61.573 0.087 . 1 . . . . A 154 ILE CA . 36151 1 1696 . 1 . 1 154 154 ILE CB C 13 37.204 0.042 . 1 . . . . A 154 ILE CB . 36151 1 1697 . 1 . 1 154 154 ILE CG1 C 13 28.501 0.048 . 1 . . . . A 154 ILE CG1 . 36151 1 1698 . 1 . 1 154 154 ILE CG2 C 13 18.211 0.191 . 1 . . . . A 154 ILE CG2 . 36151 1 1699 . 1 . 1 154 154 ILE CD1 C 13 13.221 0.222 . 1 . . . . A 154 ILE CD1 . 36151 1 1700 . 1 . 1 154 154 ILE N N 15 119.204 0.04 . 1 . . . . A 154 ILE N . 36151 1 stop_ save_