data_36002 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36002 _Entry.Title ; NMR Solution structure of an EF-hand Calcium binding protein (EhCaBP6) from Entamoeba Histolytica ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-05 _Entry.Accession_date 2016-07-05 _Entry.Last_release_date 2016-07-05 _Entry.Original_release_date 2016-07-05 _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_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 D. Verma D. . . . 36002 2 K. Chary K. V. . . 36002 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 36002 GTPase . 36002 'METAL BINDING PROTEIN' . 36002 'Nuclear Protein' . 36002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 36002 '15N chemical shifts' 144 36002 '1H chemical shifts' 613 36002 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 . . 2025-10-10 . original BMRB . 36002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5B7X 'BMRB Entry Tracking System' 36002 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36002 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An Unusual Nuclear Localized Ca2+-Binding Protein from Entamoeba histolytica that Exhibits GTPase Activity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 D. Verma D. . . . 36002 1 2 A. Murmu A. . . . 36002 1 3 A. Bhattacharya A. . . . 36002 1 4 K. Chary K. V. . . 36002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36002 _Assembly.ID 1 _Assembly.Name 'Calmodulin, putative' _Assembly.BMRB_code . _Assembly.Number_of_components 60 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _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 362250.820 _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 . . . . EhCaBP6 . 36002 1 2 entity_CA 2 $entity_CA B,C A . . . . . . . 36002 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' sing . 1 entity_1 1 ASP 23 23 OD1 . 2 entity_CA 2 CA 1 1 CA . . A 23 ASP OD1 . . A 201 CA CA 36002 1 2 'metal coordination' sing . 1 entity_1 1 ASP 23 23 OD2 . 2 entity_CA 2 CA 1 1 CA . . A 23 ASP OD2 . . A 201 CA CA 36002 1 3 'metal coordination' sing . 1 entity_1 1 ASP 25 25 OD1 . 2 entity_CA 2 CA 1 1 CA . . A 25 ASP OD1 . . A 201 CA CA 36002 1 4 'metal coordination' sing . 1 entity_1 1 ASP 25 25 OD2 . 2 entity_CA 2 CA 1 1 CA . . A 25 ASP OD2 . . A 201 CA CA 36002 1 5 'metal coordination' sing . 1 entity_1 1 ASP 27 27 OD1 . 2 entity_CA 2 CA 1 1 CA . . A 27 ASP OD1 . . A 201 CA CA 36002 1 6 'metal coordination' sing . 1 entity_1 1 ASP 27 27 OD2 . 2 entity_CA 2 CA 1 1 CA . . A 27 ASP OD2 . . A 201 CA CA 36002 1 7 'metal coordination' sing . 1 entity_1 1 LYS 29 29 O . 2 entity_CA 2 CA 1 1 CA . . A 29 LYS O . . A 201 CA CA 36002 1 8 'metal coordination' sing . 1 entity_1 1 GLN 34 34 OE1 . 2 entity_CA 2 CA 1 1 CA . . A 34 GLN OE1 . . A 201 CA CA 36002 1 9 'metal coordination' sing . 1 entity_1 1 ASP 98 98 OD2 . 2 entity_CA 2 CA 2 2 CA . . A 98 ASP OD2 . . A 202 CA CA 36002 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 . . 36002 1 . 1 1 10 ALA 10 . A 10 ALA . middle . . 36002 1 . 1 1 100 ASP 100 . A 100 ASP . middle . . 36002 1 . 1 1 101 GLY 101 . A 101 GLY . middle no . 36002 1 . 1 1 102 LYS 102 . A 102 LYS . middle . . 36002 1 . 1 1 103 ILE 103 . A 103 ILE . middle . . 36002 1 . 1 1 104 LYS 104 . A 104 LYS . middle . . 36002 1 . 1 1 105 ALA 105 . A 105 ALA . middle . . 36002 1 . 1 1 106 SER 106 . A 106 SER . middle . . 36002 1 . 1 1 107 ASP 107 . A 107 ASP . middle . . 36002 1 . 1 1 108 LEU 108 . A 108 LEU . middle . . 36002 1 . 1 1 109 ALA 109 . A 109 ALA . middle . . 36002 1 . 1 1 11 ASN 11 . A 11 ASN . middle . . 36002 1 . 1 1 110 HIS 110 . A 110 HIS . middle . . 36002 1 . 1 1 111 ASN 111 . A 111 ASN . middle . . 36002 1 . 1 1 112 LEU 112 . A 112 LEU . middle . . 36002 1 . 1 1 113 THR 113 . A 113 THR . middle . . 36002 1 . 1 1 114 THR 114 . A 114 THR . middle . . 36002 1 . 1 1 115 VAL 115 . A 115 VAL . middle . . 36002 1 . 1 1 116 GLY 116 . A 116 GLY . middle no . 36002 1 . 1 1 117 ASP 117 . A 117 ASP . middle . . 36002 1 . 1 1 118 LYS 118 . A 118 LYS . middle . . 36002 1 . 1 1 119 MET 119 . A 119 MET . middle . . 36002 1 . 1 1 12 THR 12 . A 12 THR . middle . . 36002 1 . 1 1 120 THR 120 . A 120 THR . middle . . 36002 1 . 1 1 121 LYS 121 . A 121 LYS . middle . . 36002 1 . 1 1 122 GLU 122 . A 122 GLU . middle . . 36002 1 . 1 1 123 GLU 123 . A 123 GLU . middle . . 36002 1 . 1 1 124 VAL 124 . A 124 VAL . middle . . 36002 1 . 1 1 125 GLU 125 . A 125 GLU . middle . . 36002 1 . 1 1 126 LYS 126 . A 126 LYS . middle . . 36002 1 . 1 1 127 VAL 127 . A 127 VAL . middle . . 36002 1 . 1 1 128 PHE 128 . A 128 PHE . middle . . 36002 1 . 1 1 129 SER 129 . A 129 SER . middle . . 36002 1 . 1 1 13 GLN 13 . A 13 GLN . middle . . 36002 1 . 1 1 130 ILE 130 . A 130 ILE . middle . . 36002 1 . 1 1 131 LEU 131 . A 131 LEU . middle . . 36002 1 . 1 1 132 GLY 132 . A 132 GLY . middle no . 36002 1 . 1 1 133 ILE 133 . A 133 ILE . middle . . 36002 1 . 1 1 134 THR 134 . A 134 THR . middle . . 36002 1 . 1 1 135 MET 135 . A 135 MET . middle . . 36002 1 . 1 1 136 GLU 136 . A 136 GLU . middle . . 36002 1 . 1 1 137 SER 137 . A 137 SER . middle . . 36002 1 . 1 1 138 ASP 138 . A 138 ASP . middle . . 36002 1 . 1 1 139 ILE 139 . A 139 ILE . middle . . 36002 1 . 1 1 14 LYS 14 . A 14 LYS . middle . . 36002 1 . 1 1 140 ASP 140 . A 140 ASP . middle . . 36002 1 . 1 1 141 LEU 141 . A 141 LEU . middle . . 36002 1 . 1 1 142 ALA 142 . A 142 ALA . middle . . 36002 1 . 1 1 143 THR 143 . A 143 THR . middle . . 36002 1 . 1 1 144 PHE 144 . A 144 PHE . middle . . 36002 1 . 1 1 145 LEU 145 . A 145 LEU . middle . . 36002 1 . 1 1 146 LYS 146 . A 146 LYS . middle . . 36002 1 . 1 1 147 LEU 147 . A 147 LEU . middle . . 36002 1 . 1 1 148 VAL 148 . A 148 VAL . middle . . 36002 1 . 1 1 149 ALA 149 . A 149 ALA . middle . . 36002 1 . 1 1 15 ILE 15 . A 15 ILE . middle . . 36002 1 . 1 1 150 LEU 150 . A 150 LEU . middle . . 36002 1 . 1 1 151 HIS 151 . A 151 HIS . middle . . 36002 1 . 1 1 152 HIS 152 . A 152 HIS . middle . . 36002 1 . 1 1 153 HIS 153 . A 153 HIS . middle . . 36002 1 . 1 1 154 HIS 154 . A 154 HIS . middle . . 36002 1 . 1 1 155 HIS 155 . A 155 HIS . middle . . 36002 1 . 1 1 156 HIS 156 . A 156 HIS . end . . 36002 1 . 1 1 16 ARG 16 . A 16 ARG . middle . . 36002 1 . 1 1 17 ASP 17 . A 17 ASP . middle . . 36002 1 . 1 1 18 CYS 18 . A 18 CYS . middle . . 36002 1 . 1 1 19 PHE 19 . A 19 PHE . middle . . 36002 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36002 1 . 1 1 20 ASN 20 . A 20 ASN . middle . . 36002 1 . 1 1 21 PHE 21 . A 21 PHE . middle . . 36002 1 . 1 1 22 TYR 22 . A 22 TYR . middle . . 36002 1 . 1 1 23 ASP 23 . A 23 ASP . middle . . 36002 1 . 1 1 24 ARG 24 . A 24 ARG . middle . . 36002 1 . 1 1 25 ASP 25 . A 25 ASP . middle . . 36002 1 . 1 1 26 TYR 26 . A 26 TYR . middle . . 36002 1 . 1 1 27 ASP 27 . A 27 ASP . middle . . 36002 1 . 1 1 28 GLY 28 . A 28 GLY . middle no . 36002 1 . 1 1 29 LYS 29 . A 29 LYS . middle . . 36002 1 . 1 1 3 MET 3 . A 3 MET . middle . . 36002 1 . 1 1 30 ILE 30 . A 30 ILE . middle . . 36002 1 . 1 1 31 ASP 31 . A 31 ASP . middle . . 36002 1 . 1 1 32 VAL 32 . A 32 VAL . middle . . 36002 1 . 1 1 33 LYS 33 . A 33 LYS . middle . . 36002 1 . 1 1 34 GLN 34 . A 34 GLN . middle . . 36002 1 . 1 1 35 LEU 35 . A 35 LEU . middle . . 36002 1 . 1 1 36 GLY 36 . A 36 GLY . middle no . 36002 1 . 1 1 37 THR 37 . A 37 THR . middle . . 36002 1 . 1 1 38 LEU 38 . A 38 LEU . middle . . 36002 1 . 1 1 39 ILE 39 . A 39 ILE . middle . . 36002 1 . 1 1 4 GLU 4 . A 4 GLU . middle . . 36002 1 . 1 1 40 ARG 40 . A 40 ARG . middle . . 36002 1 . 1 1 41 SER 41 . A 41 SER . middle . . 36002 1 . 1 1 42 LEU 42 . A 42 LEU . middle . . 36002 1 . 1 1 43 GLY 43 . A 43 GLY . middle no . 36002 1 . 1 1 44 CYS 44 . A 44 CYS . middle . . 36002 1 . 1 1 45 ALA 45 . A 45 ALA . middle . . 36002 1 . 1 1 46 PRO 46 . A 46 PRO . middle no . 36002 1 . 1 1 47 THR 47 . A 47 THR . middle . . 36002 1 . 1 1 48 GLU 48 . A 48 GLU . middle . . 36002 1 . 1 1 49 ASP 49 . A 49 ASP . middle . . 36002 1 . 1 1 5 ILE 5 . A 5 ILE . middle . . 36002 1 . 1 1 50 GLU 50 . A 50 GLU . middle . . 36002 1 . 1 1 51 VAL 51 . A 51 VAL . middle . . 36002 1 . 1 1 52 ASN 52 . A 52 ASN . middle . . 36002 1 . 1 1 53 SER 53 . A 53 SER . middle . . 36002 1 . 1 1 54 TYR 54 . A 54 TYR . middle . . 36002 1 . 1 1 55 ILE 55 . A 55 ILE . middle . . 36002 1 . 1 1 56 LYS 56 . A 56 LYS . middle . . 36002 1 . 1 1 57 GLU 57 . A 57 GLU . middle . . 36002 1 . 1 1 58 PHE 58 . A 58 PHE . middle . . 36002 1 . 1 1 59 ALA 59 . A 59 ALA . middle . . 36002 1 . 1 1 6 GLU 6 . A 6 GLU . middle . . 36002 1 . 1 1 60 ILE 60 . A 60 ILE . middle . . 36002 1 . 1 1 61 GLU 61 . A 61 GLU . middle . . 36002 1 . 1 1 62 GLY 62 . A 62 GLY . middle no . 36002 1 . 1 1 63 GLU 63 . A 63 GLU . middle . . 36002 1 . 1 1 64 THR 64 . A 64 THR . middle . . 36002 1 . 1 1 65 PHE 65 . A 65 PHE . middle . . 36002 1 . 1 1 66 GLN 66 . A 66 GLN . middle . . 36002 1 . 1 1 67 ILE 67 . A 67 ILE . middle . . 36002 1 . 1 1 68 GLU 68 . A 68 GLU . middle . . 36002 1 . 1 1 69 GLN 69 . A 69 GLN . middle . . 36002 1 . 1 1 7 ALA 7 . A 7 ALA . middle . . 36002 1 . 1 1 70 PHE 70 . A 70 PHE . middle . . 36002 1 . 1 1 71 GLU 71 . A 71 GLU . middle . . 36002 1 . 1 1 72 LEU 72 . A 72 LEU . middle . . 36002 1 . 1 1 73 ILE 73 . A 73 ILE . middle . . 36002 1 . 1 1 74 MET 74 . A 74 MET . middle . . 36002 1 . 1 1 75 GLU 75 . A 75 GLU . middle . . 36002 1 . 1 1 76 ARG 76 . A 76 ARG . middle . . 36002 1 . 1 1 77 GLU 77 . A 77 GLU . middle . . 36002 1 . 1 1 78 GLN 78 . A 78 GLN . middle . . 36002 1 . 1 1 79 SER 79 . A 79 SER . middle . . 36002 1 . 1 1 8 PRO 8 . A 8 PRO . middle no . 36002 1 . 1 1 80 LYS 80 . A 80 LYS . middle . . 36002 1 . 1 1 81 PRO 81 . A 81 PRO . middle no . 36002 1 . 1 1 82 ASP 82 . A 82 ASP . middle . . 36002 1 . 1 1 83 THR 83 . A 83 THR . middle . . 36002 1 . 1 1 84 ARG 84 . A 84 ARG . middle . . 36002 1 . 1 1 85 GLU 85 . A 85 GLU . middle . . 36002 1 . 1 1 86 ILE 86 . A 86 ILE . middle . . 36002 1 . 1 1 87 LYS 87 . A 87 LYS . middle . . 36002 1 . 1 1 88 LEU 88 . A 88 LEU . middle . . 36002 1 . 1 1 89 ARG 89 . A 89 ARG . middle . . 36002 1 . 1 1 9 ASN 9 . A 9 ASN . middle . . 36002 1 . 1 1 90 LYS 90 . A 90 LYS . middle . . 36002 1 . 1 1 91 ALA 91 . A 91 ALA . middle . . 36002 1 . 1 1 92 PHE 92 . A 92 PHE . middle . . 36002 1 . 1 1 93 GLU 93 . A 93 GLU . middle . . 36002 1 . 1 1 94 VAL 94 . A 94 VAL . middle . . 36002 1 . 1 1 95 PHE 95 . A 95 PHE . middle . . 36002 1 . 1 1 96 ASP 96 . A 96 ASP . middle . . 36002 1 . 1 1 97 GLN 97 . A 97 GLN . middle . . 36002 1 . 1 1 98 ASP 98 . A 98 ASP . middle . . 36002 1 . 1 1 99 LYS 99 . A 99 LYS . middle . . 36002 1 . 2 2 1 CA 1 . A 201 CA . . . . 36002 1 . 2 2 2 CA 2 . A 202 CA . . . . 36002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calmodulin, putative' _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 ; MSMEIEAPNANTQKIRDCFN FYDRDYDGKIDVKQLGTLIR SLGCAPTEDEVNSYIKEFAI EGETFQIEQFELIMEREQSK PDTREIKLRKAFEVFDQDKD GKIKASDLAHNLTTVGDKMT KEEVEKVFSILGITMESDID LATFLKLVALHHHHHH ; _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 156 _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 18032.385 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EhCaBP6 common 36002 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36002 1 2 2 SER . 36002 1 3 3 MET . 36002 1 4 4 GLU . 36002 1 5 5 ILE . 36002 1 6 6 GLU . 36002 1 7 7 ALA . 36002 1 8 8 PRO . 36002 1 9 9 ASN . 36002 1 10 10 ALA . 36002 1 11 11 ASN . 36002 1 12 12 THR . 36002 1 13 13 GLN . 36002 1 14 14 LYS . 36002 1 15 15 ILE . 36002 1 16 16 ARG . 36002 1 17 17 ASP . 36002 1 18 18 CYS . 36002 1 19 19 PHE . 36002 1 20 20 ASN . 36002 1 21 21 PHE . 36002 1 22 22 TYR . 36002 1 23 23 ASP . 36002 1 24 24 ARG . 36002 1 25 25 ASP . 36002 1 26 26 TYR . 36002 1 27 27 ASP . 36002 1 28 28 GLY . 36002 1 29 29 LYS . 36002 1 30 30 ILE . 36002 1 31 31 ASP . 36002 1 32 32 VAL . 36002 1 33 33 LYS . 36002 1 34 34 GLN . 36002 1 35 35 LEU . 36002 1 36 36 GLY . 36002 1 37 37 THR . 36002 1 38 38 LEU . 36002 1 39 39 ILE . 36002 1 40 40 ARG . 36002 1 41 41 SER . 36002 1 42 42 LEU . 36002 1 43 43 GLY . 36002 1 44 44 CYS . 36002 1 45 45 ALA . 36002 1 46 46 PRO . 36002 1 47 47 THR . 36002 1 48 48 GLU . 36002 1 49 49 ASP . 36002 1 50 50 GLU . 36002 1 51 51 VAL . 36002 1 52 52 ASN . 36002 1 53 53 SER . 36002 1 54 54 TYR . 36002 1 55 55 ILE . 36002 1 56 56 LYS . 36002 1 57 57 GLU . 36002 1 58 58 PHE . 36002 1 59 59 ALA . 36002 1 60 60 ILE . 36002 1 61 61 GLU . 36002 1 62 62 GLY . 36002 1 63 63 GLU . 36002 1 64 64 THR . 36002 1 65 65 PHE . 36002 1 66 66 GLN . 36002 1 67 67 ILE . 36002 1 68 68 GLU . 36002 1 69 69 GLN . 36002 1 70 70 PHE . 36002 1 71 71 GLU . 36002 1 72 72 LEU . 36002 1 73 73 ILE . 36002 1 74 74 MET . 36002 1 75 75 GLU . 36002 1 76 76 ARG . 36002 1 77 77 GLU . 36002 1 78 78 GLN . 36002 1 79 79 SER . 36002 1 80 80 LYS . 36002 1 81 81 PRO . 36002 1 82 82 ASP . 36002 1 83 83 THR . 36002 1 84 84 ARG . 36002 1 85 85 GLU . 36002 1 86 86 ILE . 36002 1 87 87 LYS . 36002 1 88 88 LEU . 36002 1 89 89 ARG . 36002 1 90 90 LYS . 36002 1 91 91 ALA . 36002 1 92 92 PHE . 36002 1 93 93 GLU . 36002 1 94 94 VAL . 36002 1 95 95 PHE . 36002 1 96 96 ASP . 36002 1 97 97 GLN . 36002 1 98 98 ASP . 36002 1 99 99 LYS . 36002 1 100 100 ASP . 36002 1 101 101 GLY . 36002 1 102 102 LYS . 36002 1 103 103 ILE . 36002 1 104 104 LYS . 36002 1 105 105 ALA . 36002 1 106 106 SER . 36002 1 107 107 ASP . 36002 1 108 108 LEU . 36002 1 109 109 ALA . 36002 1 110 110 HIS . 36002 1 111 111 ASN . 36002 1 112 112 LEU . 36002 1 113 113 THR . 36002 1 114 114 THR . 36002 1 115 115 VAL . 36002 1 116 116 GLY . 36002 1 117 117 ASP . 36002 1 118 118 LYS . 36002 1 119 119 MET . 36002 1 120 120 THR . 36002 1 121 121 LYS . 36002 1 122 122 GLU . 36002 1 123 123 GLU . 36002 1 124 124 VAL . 36002 1 125 125 GLU . 36002 1 126 126 LYS . 36002 1 127 127 VAL . 36002 1 128 128 PHE . 36002 1 129 129 SER . 36002 1 130 130 ILE . 36002 1 131 131 LEU . 36002 1 132 132 GLY . 36002 1 133 133 ILE . 36002 1 134 134 THR . 36002 1 135 135 MET . 36002 1 136 136 GLU . 36002 1 137 137 SER . 36002 1 138 138 ASP . 36002 1 139 139 ILE . 36002 1 140 140 ASP . 36002 1 141 141 LEU . 36002 1 142 142 ALA . 36002 1 143 143 THR . 36002 1 144 144 PHE . 36002 1 145 145 LEU . 36002 1 146 146 LYS . 36002 1 147 147 LEU . 36002 1 148 148 VAL . 36002 1 149 149 ALA . 36002 1 150 150 LEU . 36002 1 151 151 HIS . 36002 1 152 152 HIS . 36002 1 153 153 HIS . 36002 1 154 154 HIS . 36002 1 155 155 HIS . 36002 1 156 156 HIS . 36002 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 36002 1 . SER 2 2 36002 1 . MET 3 3 36002 1 . GLU 4 4 36002 1 . ILE 5 5 36002 1 . GLU 6 6 36002 1 . ALA 7 7 36002 1 . PRO 8 8 36002 1 . ASN 9 9 36002 1 . ALA 10 10 36002 1 . ASN 11 11 36002 1 . THR 12 12 36002 1 . GLN 13 13 36002 1 . LYS 14 14 36002 1 . ILE 15 15 36002 1 . ARG 16 16 36002 1 . ASP 17 17 36002 1 . CYS 18 18 36002 1 . PHE 19 19 36002 1 . ASN 20 20 36002 1 . PHE 21 21 36002 1 . TYR 22 22 36002 1 . ASP 23 23 36002 1 . ARG 24 24 36002 1 . ASP 25 25 36002 1 . TYR 26 26 36002 1 . ASP 27 27 36002 1 . GLY 28 28 36002 1 . LYS 29 29 36002 1 . ILE 30 30 36002 1 . ASP 31 31 36002 1 . VAL 32 32 36002 1 . LYS 33 33 36002 1 . GLN 34 34 36002 1 . LEU 35 35 36002 1 . GLY 36 36 36002 1 . THR 37 37 36002 1 . LEU 38 38 36002 1 . ILE 39 39 36002 1 . ARG 40 40 36002 1 . SER 41 41 36002 1 . LEU 42 42 36002 1 . GLY 43 43 36002 1 . CYS 44 44 36002 1 . ALA 45 45 36002 1 . PRO 46 46 36002 1 . THR 47 47 36002 1 . GLU 48 48 36002 1 . ASP 49 49 36002 1 . GLU 50 50 36002 1 . VAL 51 51 36002 1 . ASN 52 52 36002 1 . SER 53 53 36002 1 . TYR 54 54 36002 1 . ILE 55 55 36002 1 . LYS 56 56 36002 1 . GLU 57 57 36002 1 . PHE 58 58 36002 1 . ALA 59 59 36002 1 . ILE 60 60 36002 1 . GLU 61 61 36002 1 . GLY 62 62 36002 1 . GLU 63 63 36002 1 . THR 64 64 36002 1 . PHE 65 65 36002 1 . GLN 66 66 36002 1 . ILE 67 67 36002 1 . GLU 68 68 36002 1 . GLN 69 69 36002 1 . PHE 70 70 36002 1 . GLU 71 71 36002 1 . LEU 72 72 36002 1 . ILE 73 73 36002 1 . MET 74 74 36002 1 . GLU 75 75 36002 1 . ARG 76 76 36002 1 . GLU 77 77 36002 1 . GLN 78 78 36002 1 . SER 79 79 36002 1 . LYS 80 80 36002 1 . PRO 81 81 36002 1 . ASP 82 82 36002 1 . THR 83 83 36002 1 . ARG 84 84 36002 1 . GLU 85 85 36002 1 . ILE 86 86 36002 1 . LYS 87 87 36002 1 . LEU 88 88 36002 1 . ARG 89 89 36002 1 . LYS 90 90 36002 1 . ALA 91 91 36002 1 . PHE 92 92 36002 1 . GLU 93 93 36002 1 . VAL 94 94 36002 1 . PHE 95 95 36002 1 . ASP 96 96 36002 1 . GLN 97 97 36002 1 . ASP 98 98 36002 1 . LYS 99 99 36002 1 . ASP 100 100 36002 1 . GLY 101 101 36002 1 . LYS 102 102 36002 1 . ILE 103 103 36002 1 . LYS 104 104 36002 1 . ALA 105 105 36002 1 . SER 106 106 36002 1 . ASP 107 107 36002 1 . LEU 108 108 36002 1 . ALA 109 109 36002 1 . HIS 110 110 36002 1 . ASN 111 111 36002 1 . LEU 112 112 36002 1 . THR 113 113 36002 1 . THR 114 114 36002 1 . VAL 115 115 36002 1 . GLY 116 116 36002 1 . ASP 117 117 36002 1 . LYS 118 118 36002 1 . MET 119 119 36002 1 . THR 120 120 36002 1 . LYS 121 121 36002 1 . GLU 122 122 36002 1 . GLU 123 123 36002 1 . VAL 124 124 36002 1 . GLU 125 125 36002 1 . LYS 126 126 36002 1 . VAL 127 127 36002 1 . PHE 128 128 36002 1 . SER 129 129 36002 1 . ILE 130 130 36002 1 . LEU 131 131 36002 1 . GLY 132 132 36002 1 . ILE 133 133 36002 1 . THR 134 134 36002 1 . MET 135 135 36002 1 . GLU 136 136 36002 1 . SER 137 137 36002 1 . ASP 138 138 36002 1 . ILE 139 139 36002 1 . ASP 140 140 36002 1 . LEU 141 141 36002 1 . ALA 142 142 36002 1 . THR 143 143 36002 1 . PHE 144 144 36002 1 . LEU 145 145 36002 1 . LYS 146 146 36002 1 . LEU 147 147 36002 1 . VAL 148 148 36002 1 . ALA 149 149 36002 1 . LEU 150 150 36002 1 . HIS 151 151 36002 1 . HIS 152 152 36002 1 . HIS 153 153 36002 1 . HIS 154 154 36002 1 . HIS 155 155 36002 1 . HIS 156 156 36002 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 36002 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 CA $chem_comp_CA 36002 2 2 202 CA $chem_comp_CA 36002 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 36002 _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 . 885315 organism . 'Entamoeba histolytica HM-3:IMSS' . . . Eukaryota . Entamoeba histolytica HM-3:IMSS . . . . . . . . . . KM1_072120 . 36002 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 36002 _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 BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 36002 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 36002 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 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 CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 36002 CA InChI=1S/Ca/q+2 InChI InChI 1.03 36002 CA [Ca++] SMILES CACTVS 3.341 36002 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 36002 CA [Ca+2] SMILES ACDLabs 10.04 36002 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 36002 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36002 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 36002 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36002 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36002 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36002 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N] EhCaBP6, 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 EhCaBP6 [U-15N] 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36002 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36002 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36002 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36002 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] EhCaBP6, 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 EhCaBP6 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36002 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36002 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36002 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36002 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C] EhCaBP6, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EhCaBP6 [U-13C] 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36002 3 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36002 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 36002 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-10% 13C] EhCaBP6, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EhCaBP6 '[U-10% 13C]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36002 4 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36002 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 36002 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM EhCaBP6, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EhCaBP6 'natural abundance' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36002 5 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36002 5 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 36002 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'codition 1' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 36002 1 pH 6.8 . pH 36002 1 pressure 1 . atm 36002 1 temperature 298 . K 36002 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36002 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36002 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36002 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36002 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36002 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36002 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36002 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36002 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36002 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36002 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36002 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36002 4 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 36002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 36002 _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 Bruker Avance . 800 . . . 36002 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 36002 _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 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 3 '3D HNCO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 4 '3D HNCA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 6 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 7 '3D HNHB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 8 '3D HNHA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 9 '3D HNCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 10 '3D 1H-13C NOESY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 11 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36002 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Reference_1 _Chem_shift_reference.Entry_ID 36002 _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 . . . . . 36002 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36002 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 36002 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 36002 _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 $Reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36002 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36002 1 3 '3D HNCO' 2 $sample_2 isotropic 36002 1 4 '3D HNCA' 2 $sample_2 isotropic 36002 1 5 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36002 1 6 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36002 1 9 '3D HNCACB' 2 $sample_2 isotropic 36002 1 10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36002 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36002 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 36002 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 2 2 SER H H 1 8.239 0.02 . 1 . . . . A 2 SER H . 36002 1 2 . 1 . 1 2 2 SER HA H 1 4.355 0.02 . 1 . . . . A 2 SER HA . 36002 1 3 . 1 . 1 2 2 SER HB2 H 1 3.796 0.02 . 1 . . . . A 2 SER HB2 . 36002 1 4 . 1 . 1 2 2 SER HB3 H 1 3.796 0.02 . 1 . . . . A 2 SER HB3 . 36002 1 5 . 1 . 1 2 2 SER CA C 13 58.281 0.3 . 1 . . . . A 2 SER CA . 36002 1 6 . 1 . 1 2 2 SER CB C 13 63.58 0.3 . 1 . . . . A 2 SER CB . 36002 1 7 . 1 . 1 2 2 SER N N 15 116.465 0.3 . 1 . . . . A 2 SER N . 36002 1 8 . 1 . 1 3 3 MET H H 1 8.337 0.02 . 1 . . . . A 3 MET H . 36002 1 9 . 1 . 1 3 3 MET HA H 1 4.405 0.02 . 1 . . . . A 3 MET HA . 36002 1 10 . 1 . 1 3 3 MET HB2 H 1 2.02 0.02 . 1 . . . . A 3 MET HB2 . 36002 1 11 . 1 . 1 3 3 MET HB3 H 1 2.02 0.02 . 1 . . . . A 3 MET HB3 . 36002 1 12 . 1 . 1 3 3 MET CA C 13 55.372 0.3 . 1 . . . . A 3 MET CA . 36002 1 13 . 1 . 1 3 3 MET CB C 13 32.589 0.3 . 1 . . . . A 3 MET CB . 36002 1 14 . 1 . 1 3 3 MET N N 15 122.087 0.3 . 1 . . . . A 3 MET N . 36002 1 15 . 1 . 1 4 4 GLU H H 1 8.312 0.02 . 1 . . . . A 4 GLU H . 36002 1 16 . 1 . 1 4 4 GLU HA H 1 4.213 0.02 . 1 . . . . A 4 GLU HA . 36002 1 17 . 1 . 1 4 4 GLU HB2 H 1 1.956 0.02 . 1 . . . . A 4 GLU HB2 . 36002 1 18 . 1 . 1 4 4 GLU HB3 H 1 1.956 0.02 . 1 . . . . A 4 GLU HB3 . 36002 1 19 . 1 . 1 4 4 GLU CA C 13 56.439 0.3 . 1 . . . . A 4 GLU CA . 36002 1 20 . 1 . 1 4 4 GLU CB C 13 29.919 0.3 . 1 . . . . A 4 GLU CB . 36002 1 21 . 1 . 1 4 4 GLU N N 15 121.836 0.3 . 1 . . . . A 4 GLU N . 36002 1 22 . 1 . 1 5 5 ILE H H 1 8.079 0.02 . 1 . . . . A 5 ILE H . 36002 1 23 . 1 . 1 5 5 ILE HA H 1 4.092 0.02 . 1 . . . . A 5 ILE HA . 36002 1 24 . 1 . 1 5 5 ILE HB H 1 1.796 0.02 . 1 . . . . A 5 ILE HB . 36002 1 25 . 1 . 1 5 5 ILE HG12 H 1 1.407 0.02 . 1 . . . . A 5 ILE HG12 . 36002 1 26 . 1 . 1 5 5 ILE HG13 H 1 1.407 0.02 . 1 . . . . A 5 ILE HG13 . 36002 1 27 . 1 . 1 5 5 ILE HG21 H 1 1.132 0.02 . 1 . . . . A 5 ILE HG21 . 36002 1 28 . 1 . 1 5 5 ILE HG22 H 1 1.132 0.02 . 1 . . . . A 5 ILE HG22 . 36002 1 29 . 1 . 1 5 5 ILE HG23 H 1 1.132 0.02 . 1 . . . . A 5 ILE HG23 . 36002 1 30 . 1 . 1 5 5 ILE HD11 H 1 0.827 0.02 . 1 . . . . A 5 ILE HD11 . 36002 1 31 . 1 . 1 5 5 ILE HD12 H 1 0.827 0.02 . 1 . . . . A 5 ILE HD12 . 36002 1 32 . 1 . 1 5 5 ILE HD13 H 1 0.827 0.02 . 1 . . . . A 5 ILE HD13 . 36002 1 33 . 1 . 1 5 5 ILE CA C 13 60.986 0.3 . 1 . . . . A 5 ILE CA . 36002 1 34 . 1 . 1 5 5 ILE CB C 13 38.596 0.3 . 1 . . . . A 5 ILE CB . 36002 1 35 . 1 . 1 5 5 ILE N N 15 121.547 0.3 . 1 . . . . A 5 ILE N . 36002 1 36 . 1 . 1 6 6 GLU H H 1 8.333 0.02 . 1 . . . . A 6 GLU H . 36002 1 37 . 1 . 1 6 6 GLU HA H 1 4.192 0.02 . 1 . . . . A 6 GLU HA . 36002 1 38 . 1 . 1 6 6 GLU HB2 H 1 1.929 0.02 . 1 . . . . A 6 GLU HB2 . 36002 1 39 . 1 . 1 6 6 GLU HB3 H 1 1.929 0.02 . 1 . . . . A 6 GLU HB3 . 36002 1 40 . 1 . 1 6 6 GLU CA C 13 56.104 0.3 . 1 . . . . A 6 GLU CA . 36002 1 41 . 1 . 1 6 6 GLU CB C 13 30.202 0.3 . 1 . . . . A 6 GLU CB . 36002 1 42 . 1 . 1 6 6 GLU N N 15 124.791 0.3 . 1 . . . . A 6 GLU N . 36002 1 43 . 1 . 1 7 7 ALA H H 1 8.32 0.02 . 1 . . . . A 7 ALA H . 36002 1 44 . 1 . 1 7 7 ALA HA H 1 4.497 0.02 . 1 . . . . A 7 ALA HA . 36002 1 45 . 1 . 1 7 7 ALA HB1 H 1 1.289 0.02 . 1 . . . . A 7 ALA HB1 . 36002 1 46 . 1 . 1 7 7 ALA HB2 H 1 1.289 0.02 . 1 . . . . A 7 ALA HB2 . 36002 1 47 . 1 . 1 7 7 ALA HB3 H 1 1.289 0.02 . 1 . . . . A 7 ALA HB3 . 36002 1 48 . 1 . 1 7 7 ALA CA C 13 50.427 0.3 . 1 . . . . A 7 ALA CA . 36002 1 49 . 1 . 1 7 7 ALA CB C 13 17.903 0.3 . 1 . . . . A 7 ALA CB . 36002 1 50 . 1 . 1 7 7 ALA N N 15 126.712 0.3 . 1 . . . . A 7 ALA N . 36002 1 51 . 1 . 1 9 9 ASN H H 1 8.339 0.02 . 1 . . . . A 9 ASN H . 36002 1 52 . 1 . 1 9 9 ASN HA H 1 4.548 0.02 . 1 . . . . A 9 ASN HA . 36002 1 53 . 1 . 1 9 9 ASN HB2 H 1 2.832 0.02 . 1 . . . . A 9 ASN HB2 . 36002 1 54 . 1 . 1 9 9 ASN HB3 H 1 2.832 0.02 . 1 . . . . A 9 ASN HB3 . 36002 1 55 . 1 . 1 9 9 ASN CA C 13 52.919 0.3 . 1 . . . . A 9 ASN CA . 36002 1 56 . 1 . 1 9 9 ASN CB C 13 38.692 0.3 . 1 . . . . A 9 ASN CB . 36002 1 57 . 1 . 1 9 9 ASN N N 15 117.986 0.3 . 1 . . . . A 9 ASN N . 36002 1 58 . 1 . 1 10 10 ALA H H 1 8.386 0.02 . 1 . . . . A 10 ALA H . 36002 1 59 . 1 . 1 10 10 ALA HA H 1 4.138 0.02 . 1 . . . . A 10 ALA HA . 36002 1 60 . 1 . 1 10 10 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 10 ALA HB1 . 36002 1 61 . 1 . 1 10 10 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 10 ALA HB2 . 36002 1 62 . 1 . 1 10 10 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 10 ALA HB3 . 36002 1 63 . 1 . 1 10 10 ALA CA C 13 54.235 0.3 . 1 . . . . A 10 ALA CA . 36002 1 64 . 1 . 1 10 10 ALA CB C 13 18.476 0.3 . 1 . . . . A 10 ALA CB . 36002 1 65 . 1 . 1 10 10 ALA N N 15 124.171 0.3 . 1 . . . . A 10 ALA N . 36002 1 66 . 1 . 1 11 11 ASN H H 1 8.321 0.02 . 1 . . . . A 11 ASN H . 36002 1 67 . 1 . 1 11 11 ASN CA C 13 55.397 0.3 . 1 . . . . A 11 ASN CA . 36002 1 68 . 1 . 1 11 11 ASN CB C 13 38.585 0.3 . 1 . . . . A 11 ASN CB . 36002 1 69 . 1 . 1 11 11 ASN N N 15 117.962 0.3 . 1 . . . . A 11 ASN N . 36002 1 70 . 1 . 1 12 12 THR H H 1 8.119 0.02 . 1 . . . . A 12 THR H . 36002 1 71 . 1 . 1 12 12 THR HA H 1 3.807 0.02 . 1 . . . . A 12 THR HA . 36002 1 72 . 1 . 1 12 12 THR HB H 1 3.989 0.02 . 1 . . . . A 12 THR HB . 36002 1 73 . 1 . 1 12 12 THR HG21 H 1 1.113 0.02 . 1 . . . . A 12 THR HG21 . 36002 1 74 . 1 . 1 12 12 THR HG22 H 1 1.113 0.02 . 1 . . . . A 12 THR HG22 . 36002 1 75 . 1 . 1 12 12 THR HG23 H 1 1.113 0.02 . 1 . . . . A 12 THR HG23 . 36002 1 76 . 1 . 1 12 12 THR CA C 13 66.204 0.3 . 1 . . . . A 12 THR CA . 36002 1 77 . 1 . 1 12 12 THR CB C 13 68.577 0.3 . 1 . . . . A 12 THR CB . 36002 1 78 . 1 . 1 12 12 THR CG2 C 13 21.34 0.3 . 1 . . . . A 12 THR CG2 . 36002 1 79 . 1 . 1 12 12 THR N N 15 115.614 0.3 . 1 . . . . A 12 THR N . 36002 1 80 . 1 . 1 13 13 GLN H H 1 8.171 0.02 . 1 . . . . A 13 GLN H . 36002 1 81 . 1 . 1 13 13 GLN HA H 1 3.802 0.02 . 1 . . . . A 13 GLN HA . 36002 1 82 . 1 . 1 13 13 GLN HB2 H 1 2.04 0.02 . 1 . . . . A 13 GLN HB2 . 36002 1 83 . 1 . 1 13 13 GLN HB3 H 1 2.04 0.02 . 1 . . . . A 13 GLN HB3 . 36002 1 84 . 1 . 1 13 13 GLN HG2 H 1 2.339 0.02 . 1 . . . . A 13 GLN HG2 . 36002 1 85 . 1 . 1 13 13 GLN HG3 H 1 2.339 0.02 . 1 . . . . A 13 GLN HG3 . 36002 1 86 . 1 . 1 13 13 GLN CA C 13 58.653 0.3 . 1 . . . . A 13 GLN CA . 36002 1 87 . 1 . 1 13 13 GLN CB C 13 28.107 0.3 . 1 . . . . A 13 GLN CB . 36002 1 88 . 1 . 1 13 13 GLN CG C 13 36.553 0.3 . 1 . . . . A 13 GLN CG . 36002 1 89 . 1 . 1 13 13 GLN N N 15 120.868 0.3 . 1 . . . . A 13 GLN N . 36002 1 90 . 1 . 1 14 14 LYS H H 1 7.847 0.02 . 1 . . . . A 14 LYS H . 36002 1 91 . 1 . 1 14 14 LYS HA H 1 4.091 0.02 . 1 . . . . A 14 LYS HA . 36002 1 92 . 1 . 1 14 14 LYS HB2 H 1 1.888 0.02 . 1 . . . . A 14 LYS HB2 . 36002 1 93 . 1 . 1 14 14 LYS HB3 H 1 1.888 0.02 . 1 . . . . A 14 LYS HB3 . 36002 1 94 . 1 . 1 14 14 LYS CA C 13 59.392 0.3 . 1 . . . . A 14 LYS CA . 36002 1 95 . 1 . 1 14 14 LYS CB C 13 31.921 0.3 . 1 . . . . A 14 LYS CB . 36002 1 96 . 1 . 1 14 14 LYS N N 15 118.949 0.3 . 1 . . . . A 14 LYS N . 36002 1 97 . 1 . 1 15 15 ILE H H 1 7.855 0.02 . 1 . . . . A 15 ILE H . 36002 1 98 . 1 . 1 15 15 ILE HA H 1 3.654 0.02 . 1 . . . . A 15 ILE HA . 36002 1 99 . 1 . 1 15 15 ILE HB H 1 1.979 0.02 . 1 . . . . A 15 ILE HB . 36002 1 100 . 1 . 1 15 15 ILE CA C 13 65.831 0.3 . 1 . . . . A 15 ILE CA . 36002 1 101 . 1 . 1 15 15 ILE CB C 13 38.024 0.3 . 1 . . . . A 15 ILE CB . 36002 1 102 . 1 . 1 15 15 ILE N N 15 121.07 0.3 . 1 . . . . A 15 ILE N . 36002 1 103 . 1 . 1 16 16 ARG H H 1 8.113 0.02 . 1 . . . . A 16 ARG H . 36002 1 104 . 1 . 1 16 16 ARG HA H 1 4.03 0.02 . 1 . . . . A 16 ARG HA . 36002 1 105 . 1 . 1 16 16 ARG HB2 H 1 1.888 0.02 . 1 . . . . A 16 ARG HB2 . 36002 1 106 . 1 . 1 16 16 ARG HB3 H 1 1.888 0.02 . 1 . . . . A 16 ARG HB3 . 36002 1 107 . 1 . 1 16 16 ARG CA C 13 60.083 0.3 . 1 . . . . A 16 ARG CA . 36002 1 108 . 1 . 1 16 16 ARG CB C 13 29.439 0.3 . 1 . . . . A 16 ARG CB . 36002 1 109 . 1 . 1 16 16 ARG N N 15 120.014 0.3 . 1 . . . . A 16 ARG N . 36002 1 110 . 1 . 1 17 17 ASP H H 1 8.983 0.02 . 1 . . . . A 17 ASP H . 36002 1 111 . 1 . 1 17 17 ASP HA H 1 4.416 0.02 . 1 . . . . A 17 ASP HA . 36002 1 112 . 1 . 1 17 17 ASP HB2 H 1 2.781 0.02 . 2 . . . . A 17 ASP HB2 . 36002 1 113 . 1 . 1 17 17 ASP HB3 H 1 2.598 0.02 . 2 . . . . A 17 ASP HB3 . 36002 1 114 . 1 . 1 17 17 ASP CA C 13 57.292 0.3 . 1 . . . . A 17 ASP CA . 36002 1 115 . 1 . 1 17 17 ASP CB C 13 39.741 0.3 . 1 . . . . A 17 ASP CB . 36002 1 116 . 1 . 1 17 17 ASP N N 15 119.503 0.3 . 1 . . . . A 17 ASP N . 36002 1 117 . 1 . 1 18 18 CYS H H 1 7.901 0.02 . 1 . . . . A 18 CYS H . 36002 1 118 . 1 . 1 18 18 CYS HA H 1 4.233 0.02 . 1 . . . . A 18 CYS HA . 36002 1 119 . 1 . 1 18 18 CYS HB2 H 1 3.786 0.02 . 1 . . . . A 18 CYS HB2 . 36002 1 120 . 1 . 1 18 18 CYS HB3 H 1 3.786 0.02 . 1 . . . . A 18 CYS HB3 . 36002 1 121 . 1 . 1 18 18 CYS CA C 13 61.872 0.3 . 1 . . . . A 18 CYS CA . 36002 1 122 . 1 . 1 18 18 CYS CB C 13 26.581 0.3 . 1 . . . . A 18 CYS CB . 36002 1 123 . 1 . 1 18 18 CYS N N 15 121.275 0.3 . 1 . . . . A 18 CYS N . 36002 1 124 . 1 . 1 19 19 PHE H H 1 8.017 0.02 . 1 . . . . A 19 PHE H . 36002 1 125 . 1 . 1 19 19 PHE HA H 1 3.573 0.02 . 1 . . . . A 19 PHE HA . 36002 1 126 . 1 . 1 19 19 PHE HB2 H 1 3.39 0.02 . 1 . . . . A 19 PHE HB2 . 36002 1 127 . 1 . 1 19 19 PHE HB3 H 1 3.39 0.02 . 1 . . . . A 19 PHE HB3 . 36002 1 128 . 1 . 1 19 19 PHE CA C 13 62.132 0.3 . 1 . . . . A 19 PHE CA . 36002 1 129 . 1 . 1 19 19 PHE CB C 13 39.836 0.3 . 1 . . . . A 19 PHE CB . 36002 1 130 . 1 . 1 19 19 PHE N N 15 119.024 0.3 . 1 . . . . A 19 PHE N . 36002 1 131 . 1 . 1 20 20 ASN H H 1 8.708 0.02 . 1 . . . . A 20 ASN H . 36002 1 132 . 1 . 1 20 20 ASN HA H 1 4.456 0.02 . 1 . . . . A 20 ASN HA . 36002 1 133 . 1 . 1 20 20 ASN HB2 H 1 2.891 0.02 . 1 . . . . A 20 ASN HB2 . 36002 1 134 . 1 . 1 20 20 ASN HB3 H 1 2.891 0.02 . 1 . . . . A 20 ASN HB3 . 36002 1 135 . 1 . 1 20 20 ASN CA C 13 55.95 0.3 . 1 . . . . A 20 ASN CA . 36002 1 136 . 1 . 1 20 20 ASN CB C 13 37.833 0.3 . 1 . . . . A 20 ASN CB . 36002 1 137 . 1 . 1 20 20 ASN N N 15 114.227 0.3 . 1 . . . . A 20 ASN N . 36002 1 138 . 1 . 1 21 21 PHE H H 1 8.213 0.02 . 1 . . . . A 21 PHE H . 36002 1 139 . 1 . 1 21 21 PHE HA H 1 4.03 0.02 . 1 . . . . A 21 PHE HA . 36002 1 140 . 1 . 1 21 21 PHE HB2 H 1 3.161 0.02 . 1 . . . . A 21 PHE HB2 . 36002 1 141 . 1 . 1 21 21 PHE HB3 H 1 3.161 0.02 . 1 . . . . A 21 PHE HB3 . 36002 1 142 . 1 . 1 21 21 PHE CA C 13 60.858 0.3 . 1 . . . . A 21 PHE CA . 36002 1 143 . 1 . 1 21 21 PHE CB C 13 38.596 0.3 . 1 . . . . A 21 PHE CB . 36002 1 144 . 1 . 1 21 21 PHE N N 15 121.26 0.3 . 1 . . . . A 21 PHE N . 36002 1 145 . 1 . 1 22 22 TYR H H 1 7.365 0.02 . 1 . . . . A 22 TYR H . 36002 1 146 . 1 . 1 22 22 TYR HA H 1 3.969 0.02 . 1 . . . . A 22 TYR HA . 36002 1 147 . 1 . 1 22 22 TYR HB2 H 1 2.456 0.02 . 2 . . . . A 22 TYR HB2 . 36002 1 148 . 1 . 1 22 22 TYR HB3 H 1 2.862 0.02 . 2 . . . . A 22 TYR HB3 . 36002 1 149 . 1 . 1 22 22 TYR HD1 H 1 6.496 0.02 . 1 . . . . A 22 TYR HD1 . 36002 1 150 . 1 . 1 22 22 TYR HD2 H 1 6.496 0.02 . 1 . . . . A 22 TYR HD2 . 36002 1 151 . 1 . 1 22 22 TYR HE1 H 1 6.813 0.02 . 1 . . . . A 22 TYR HE1 . 36002 1 152 . 1 . 1 22 22 TYR HE2 H 1 6.813 0.02 . 1 . . . . A 22 TYR HE2 . 36002 1 153 . 1 . 1 22 22 TYR CA C 13 60.491 0.3 . 1 . . . . A 22 TYR CA . 36002 1 154 . 1 . 1 22 22 TYR CB C 13 39.774 0.3 . 1 . . . . A 22 TYR CB . 36002 1 155 . 1 . 1 22 22 TYR N N 15 114.189 0.3 . 1 . . . . A 22 TYR N . 36002 1 156 . 1 . 1 23 23 ASP H H 1 7.638 0.02 . 1 . . . . A 23 ASP H . 36002 1 157 . 1 . 1 23 23 ASP HA H 1 4.751 0.02 . 1 . . . . A 23 ASP HA . 36002 1 158 . 1 . 1 23 23 ASP HB2 H 1 2.67 0.02 . 1 . . . . A 23 ASP HB2 . 36002 1 159 . 1 . 1 23 23 ASP HB3 H 1 2.67 0.02 . 1 . . . . A 23 ASP HB3 . 36002 1 160 . 1 . 1 23 23 ASP CA C 13 52.434 0.3 . 1 . . . . A 23 ASP CA . 36002 1 161 . 1 . 1 23 23 ASP CB C 13 39.073 0.3 . 1 . . . . A 23 ASP CB . 36002 1 162 . 1 . 1 23 23 ASP N N 15 122.557 0.3 . 1 . . . . A 23 ASP N . 36002 1 163 . 1 . 1 24 24 ARG H H 1 7.414 0.02 . 1 . . . . A 24 ARG H . 36002 1 164 . 1 . 1 24 24 ARG HA H 1 3.563 0.02 . 1 . . . . A 24 ARG HA . 36002 1 165 . 1 . 1 24 24 ARG HB2 H 1 1.681 0.02 . 1 . . . . A 24 ARG HB2 . 36002 1 166 . 1 . 1 24 24 ARG HB3 H 1 1.681 0.02 . 1 . . . . A 24 ARG HB3 . 36002 1 167 . 1 . 1 24 24 ARG CA C 13 58.147 0.3 . 1 . . . . A 24 ARG CA . 36002 1 168 . 1 . 1 24 24 ARG CB C 13 29.156 0.3 . 1 . . . . A 24 ARG CB . 36002 1 169 . 1 . 1 24 24 ARG N N 15 120.003 0.3 . 1 . . . . A 24 ARG N . 36002 1 170 . 1 . 1 25 25 ASP H H 1 7.792 0.02 . 1 . . . . A 25 ASP H . 36002 1 171 . 1 . 1 25 25 ASP HA H 1 4.284 0.02 . 1 . . . . A 25 ASP HA . 36002 1 172 . 1 . 1 25 25 ASP HB2 H 1 2.341 0.02 . 2 . . . . A 25 ASP HB2 . 36002 1 173 . 1 . 1 25 25 ASP HB3 H 1 2.911 0.02 . 2 . . . . A 25 ASP HB3 . 36002 1 174 . 1 . 1 25 25 ASP CA C 13 51.971 0.3 . 1 . . . . A 25 ASP CA . 36002 1 175 . 1 . 1 25 25 ASP CB C 13 39.264 0.3 . 1 . . . . A 25 ASP CB . 36002 1 176 . 1 . 1 25 25 ASP N N 15 112.942 0.3 . 1 . . . . A 25 ASP N . 36002 1 177 . 1 . 1 26 26 TYR H H 1 7.413 0.02 . 1 . . . . A 26 TYR H . 36002 1 178 . 1 . 1 26 26 TYR HA H 1 4.131 0.02 . 1 . . . . A 26 TYR HA . 36002 1 179 . 1 . 1 26 26 TYR HB2 H 1 3.258 0.02 . 1 . . . . A 26 TYR HB2 . 36002 1 180 . 1 . 1 26 26 TYR HB3 H 1 3.258 0.02 . 1 . . . . A 26 TYR HB3 . 36002 1 181 . 1 . 1 26 26 TYR HD1 H 1 7.011 0.02 . 1 . . . . A 26 TYR HD1 . 36002 1 182 . 1 . 1 26 26 TYR HD2 H 1 7.011 0.02 . 1 . . . . A 26 TYR HD2 . 36002 1 183 . 1 . 1 26 26 TYR CA C 13 59.009 0.3 . 1 . . . . A 26 TYR CA . 36002 1 184 . 1 . 1 26 26 TYR CB C 13 35.536 0.3 . 1 . . . . A 26 TYR CB . 36002 1 185 . 1 . 1 26 26 TYR N N 15 114.227 0.3 . 1 . . . . A 26 TYR N . 36002 1 186 . 1 . 1 27 27 ASP H H 1 7.928 0.02 . 1 . . . . A 27 ASP H . 36002 1 187 . 1 . 1 27 27 ASP HA H 1 4.71 0.02 . 1 . . . . A 27 ASP HA . 36002 1 188 . 1 . 1 27 27 ASP HB2 H 1 2.984 0.02 . 1 . . . . A 27 ASP HB2 . 36002 1 189 . 1 . 1 27 27 ASP HB3 H 1 2.984 0.02 . 1 . . . . A 27 ASP HB3 . 36002 1 190 . 1 . 1 27 27 ASP CA C 13 53.009 0.3 . 1 . . . . A 27 ASP CA . 36002 1 191 . 1 . 1 27 27 ASP CB C 13 40.789 0.3 . 1 . . . . A 27 ASP CB . 36002 1 192 . 1 . 1 27 27 ASP N N 15 117.826 0.3 . 1 . . . . A 27 ASP N . 36002 1 193 . 1 . 1 28 28 GLY H H 1 10.562 0.02 . 1 . . . . A 28 GLY H . 36002 1 194 . 1 . 1 28 28 GLY HA2 H 1 3.742 0.02 . 2 . . . . A 28 GLY HA2 . 36002 1 195 . 1 . 1 28 28 GLY HA3 H 1 4.192 0.02 . 2 . . . . A 28 GLY HA3 . 36002 1 196 . 1 . 1 28 28 GLY CA C 13 45.507 0.3 . 1 . . . . A 28 GLY CA . 36002 1 197 . 1 . 1 28 28 GLY N N 15 112.966 0.3 . 1 . . . . A 28 GLY N . 36002 1 198 . 1 . 1 29 29 LYS H H 1 7.831 0.02 . 1 . . . . A 29 LYS H . 36002 1 199 . 1 . 1 29 29 LYS HA H 1 5.024 0.02 . 1 . . . . A 29 LYS HA . 36002 1 200 . 1 . 1 29 29 LYS HB2 H 1 1.697 0.02 . 2 . . . . A 29 LYS HB2 . 36002 1 201 . 1 . 1 29 29 LYS HB3 H 1 1.392 0.02 . 2 . . . . A 29 LYS HB3 . 36002 1 202 . 1 . 1 29 29 LYS CA C 13 54.502 0.3 . 1 . . . . A 29 LYS CA . 36002 1 203 . 1 . 1 29 29 LYS CB C 13 35.735 0.3 . 1 . . . . A 29 LYS CB . 36002 1 204 . 1 . 1 29 29 LYS N N 15 118.054 0.3 . 1 . . . . A 29 LYS N . 36002 1 205 . 1 . 1 30 30 ILE H H 1 8.355 0.02 . 1 . . . . A 30 ILE H . 36002 1 206 . 1 . 1 30 30 ILE HA H 1 4.681 0.02 . 1 . . . . A 30 ILE HA . 36002 1 207 . 1 . 1 30 30 ILE CA C 13 59.247 0.3 . 1 . . . . A 30 ILE CA . 36002 1 208 . 1 . 1 30 30 ILE CB C 13 39.357 0.3 . 1 . . . . A 30 ILE CB . 36002 1 209 . 1 . 1 30 30 ILE N N 15 124.642 0.3 . 1 . . . . A 30 ILE N . 36002 1 210 . 1 . 1 31 31 ASP H H 1 8.087 0.02 . 1 . . . . A 31 ASP H . 36002 1 211 . 1 . 1 31 31 ASP HA H 1 4.595 0.02 . 1 . . . . A 31 ASP HA . 36002 1 212 . 1 . 1 31 31 ASP HB2 H 1 2.639 0.02 . 1 . . . . A 31 ASP HB2 . 36002 1 213 . 1 . 1 31 31 ASP HB3 H 1 2.639 0.02 . 1 . . . . A 31 ASP HB3 . 36002 1 214 . 1 . 1 31 31 ASP CA C 13 54.786 0.3 . 1 . . . . A 31 ASP CA . 36002 1 215 . 1 . 1 31 31 ASP CB C 13 42.22 0.3 . 1 . . . . A 31 ASP CB . 36002 1 216 . 1 . 1 31 31 ASP N N 15 125.835 0.3 . 1 . . . . A 31 ASP N . 36002 1 217 . 1 . 1 32 32 VAL H H 1 8.658 0.02 . 1 . . . . A 32 VAL H . 36002 1 218 . 1 . 1 32 32 VAL HB H 1 1.939 0.02 . 1 . . . . A 32 VAL HB . 36002 1 219 . 1 . 1 32 32 VAL CA C 13 65.661 0.3 . 1 . . . . A 32 VAL CA . 36002 1 220 . 1 . 1 32 32 VAL CB C 13 31.826 0.3 . 1 . . . . A 32 VAL CB . 36002 1 221 . 1 . 1 32 32 VAL N N 15 125.421 0.3 . 1 . . . . A 32 VAL N . 36002 1 222 . 1 . 1 33 33 LYS H H 1 8.953 0.02 . 1 . . . . A 33 LYS H . 36002 1 223 . 1 . 1 33 33 LYS HA H 1 4.152 0.02 . 1 . . . . A 33 LYS HA . 36002 1 224 . 1 . 1 33 33 LYS HB2 H 1 1.817 0.02 . 1 . . . . A 33 LYS HB2 . 36002 1 225 . 1 . 1 33 33 LYS HB3 H 1 1.817 0.02 . 1 . . . . A 33 LYS HB3 . 36002 1 226 . 1 . 1 33 33 LYS CA C 13 58.632 0.3 . 1 . . . . A 33 LYS CA . 36002 1 227 . 1 . 1 33 33 LYS CB C 13 31.521 0.3 . 1 . . . . A 33 LYS CB . 36002 1 228 . 1 . 1 33 33 LYS N N 15 120.875 0.3 . 1 . . . . A 33 LYS N . 36002 1 229 . 1 . 1 34 34 GLN H H 1 8.274 0.02 . 1 . . . . A 34 GLN H . 36002 1 230 . 1 . 1 34 34 GLN HA H 1 4.375 0.02 . 1 . . . . A 34 GLN HA . 36002 1 231 . 1 . 1 34 34 GLN HB2 H 1 2.081 0.02 . 1 . . . . A 34 GLN HB2 . 36002 1 232 . 1 . 1 34 34 GLN HB3 H 1 2.081 0.02 . 1 . . . . A 34 GLN HB3 . 36002 1 233 . 1 . 1 34 34 GLN HG2 H 1 2.231 0.02 . 1 . . . . A 34 GLN HG2 . 36002 1 234 . 1 . 1 34 34 GLN HG3 H 1 2.231 0.02 . 1 . . . . A 34 GLN HG3 . 36002 1 235 . 1 . 1 34 34 GLN CA C 13 55.245 0.3 . 1 . . . . A 34 GLN CA . 36002 1 236 . 1 . 1 34 34 GLN CB C 13 29.383 0.3 . 1 . . . . A 34 GLN CB . 36002 1 237 . 1 . 1 34 34 GLN CG C 13 36.03 0.3 . 1 . . . . A 34 GLN CG . 36002 1 238 . 1 . 1 34 34 GLN N N 15 115.909 0.3 . 1 . . . . A 34 GLN N . 36002 1 239 . 1 . 1 35 35 LEU H H 1 7.77 0.02 . 1 . . . . A 35 LEU H . 36002 1 240 . 1 . 1 35 35 LEU HA H 1 3.989 0.02 . 1 . . . . A 35 LEU HA . 36002 1 241 . 1 . 1 35 35 LEU HB2 H 1 1.989 0.02 . 1 . . . . A 35 LEU HB2 . 36002 1 242 . 1 . 1 35 35 LEU HB3 H 1 1.989 0.02 . 1 . . . . A 35 LEU HB3 . 36002 1 243 . 1 . 1 35 35 LEU CA C 13 59.35 0.3 . 1 . . . . A 35 LEU CA . 36002 1 244 . 1 . 1 35 35 LEU CB C 13 40.98 0.3 . 1 . . . . A 35 LEU CB . 36002 1 245 . 1 . 1 35 35 LEU N N 15 121.182 0.3 . 1 . . . . A 35 LEU N . 36002 1 246 . 1 . 1 36 36 GLY H H 1 8.866 0.02 . 1 . . . . A 36 GLY H . 36002 1 247 . 1 . 1 36 36 GLY HA2 H 1 3.908 0.02 . 2 . . . . A 36 GLY HA2 . 36002 1 248 . 1 . 1 36 36 GLY HA3 H 1 3.908 0.02 . 2 . . . . A 36 GLY HA3 . 36002 1 249 . 1 . 1 36 36 GLY CA C 13 47.502 0.3 . 1 . . . . A 36 GLY CA . 36002 1 250 . 1 . 1 36 36 GLY N N 15 104.011 0.3 . 1 . . . . A 36 GLY N . 36002 1 251 . 1 . 1 37 37 THR H H 1 7.595 0.02 . 1 . . . . A 37 THR H . 36002 1 252 . 1 . 1 37 37 THR HA H 1 3.746 0.02 . 1 . . . . A 37 THR HA . 36002 1 253 . 1 . 1 37 37 THR HB H 1 4.152 0.02 . 1 . . . . A 37 THR HB . 36002 1 254 . 1 . 1 37 37 THR HG21 H 1 1.071 0.02 . 1 . . . . A 37 THR HG21 . 36002 1 255 . 1 . 1 37 37 THR HG22 H 1 1.071 0.02 . 1 . . . . A 37 THR HG22 . 36002 1 256 . 1 . 1 37 37 THR HG23 H 1 1.071 0.02 . 1 . . . . A 37 THR HG23 . 36002 1 257 . 1 . 1 37 37 THR CA C 13 66.34 0.3 . 1 . . . . A 37 THR CA . 36002 1 258 . 1 . 1 37 37 THR CB C 13 68.443 0.3 . 1 . . . . A 37 THR CB . 36002 1 259 . 1 . 1 37 37 THR CG2 C 13 21.172 0.3 . 1 . . . . A 37 THR CG2 . 36002 1 260 . 1 . 1 37 37 THR N N 15 118.276 0.3 . 1 . . . . A 37 THR N . 36002 1 261 . 1 . 1 38 38 LEU H H 1 7.652 0.02 . 1 . . . . A 38 LEU H . 36002 1 262 . 1 . 1 38 38 LEU HA H 1 3.401 0.02 . 1 . . . . A 38 LEU HA . 36002 1 263 . 1 . 1 38 38 LEU HB2 H 1 1.712 0.02 . 2 . . . . A 38 LEU HB2 . 36002 1 264 . 1 . 1 38 38 LEU HB3 H 1 1.712 0.02 . 2 . . . . A 38 LEU HB3 . 36002 1 265 . 1 . 1 38 38 LEU HD11 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD11 . 36002 1 266 . 1 . 1 38 38 LEU HD12 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD12 . 36002 1 267 . 1 . 1 38 38 LEU HD13 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD13 . 36002 1 268 . 1 . 1 38 38 LEU HD21 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD21 . 36002 1 269 . 1 . 1 38 38 LEU HD22 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD22 . 36002 1 270 . 1 . 1 38 38 LEU HD23 H 1 0.705 0.02 . 1 . . . . A 38 LEU HD23 . 36002 1 271 . 1 . 1 38 38 LEU CA C 13 61.225 0.3 . 1 . . . . A 38 LEU CA . 36002 1 272 . 1 . 1 38 38 LEU CB C 13 41.836 0.3 . 1 . . . . A 38 LEU CB . 36002 1 273 . 1 . 1 38 38 LEU N N 15 124.238 0.3 . 1 . . . . A 38 LEU N . 36002 1 274 . 1 . 1 39 39 ILE H H 1 8.004 0.02 . 1 . . . . A 39 ILE H . 36002 1 275 . 1 . 1 39 39 ILE HA H 1 3.817 0.02 . 1 . . . . A 39 ILE HA . 36002 1 276 . 1 . 1 39 39 ILE HB H 1 1.697 0.02 . 1 . . . . A 39 ILE HB . 36002 1 277 . 1 . 1 39 39 ILE HG12 H 1 1.132 0.02 . 1 . . . . A 39 ILE HG12 . 36002 1 278 . 1 . 1 39 39 ILE HG21 H 1 0.69 0.02 . 1 . . . . A 39 ILE HG21 . 36002 1 279 . 1 . 1 39 39 ILE HG22 H 1 0.69 0.02 . 1 . . . . A 39 ILE HG22 . 36002 1 280 . 1 . 1 39 39 ILE HG23 H 1 0.69 0.02 . 1 . . . . A 39 ILE HG23 . 36002 1 281 . 1 . 1 39 39 ILE HD11 H 1 0.186 0.02 . 1 . . . . A 39 ILE HD11 . 36002 1 282 . 1 . 1 39 39 ILE HD12 H 1 0.186 0.02 . 1 . . . . A 39 ILE HD12 . 36002 1 283 . 1 . 1 39 39 ILE HD13 H 1 0.186 0.02 . 1 . . . . A 39 ILE HD13 . 36002 1 284 . 1 . 1 39 39 ILE CA C 13 66.03 0.3 . 1 . . . . A 39 ILE CA . 36002 1 285 . 1 . 1 39 39 ILE CB C 13 39.073 0.3 . 1 . . . . A 39 ILE CB . 36002 1 286 . 1 . 1 39 39 ILE CG1 C 13 27.007 0.3 . 1 . . . . A 39 ILE CG1 . 36002 1 287 . 1 . 1 39 39 ILE N N 15 117.296 0.3 . 1 . . . . A 39 ILE N . 36002 1 288 . 1 . 1 40 40 ARG H H 1 8.206 0.02 . 1 . . . . A 40 ARG H . 36002 1 289 . 1 . 1 40 40 ARG HB2 H 1 1.823 0.02 . 1 . . . . A 40 ARG HB2 . 36002 1 290 . 1 . 1 40 40 ARG HB3 H 1 1.823 0.02 . 1 . . . . A 40 ARG HB3 . 36002 1 291 . 1 . 1 40 40 ARG CA C 13 58.263 0.3 . 1 . . . . A 40 ARG CA . 36002 1 292 . 1 . 1 40 40 ARG CB C 13 29.919 0.3 . 1 . . . . A 40 ARG CB . 36002 1 293 . 1 . 1 40 40 ARG N N 15 116.999 0.3 . 1 . . . . A 40 ARG N . 36002 1 294 . 1 . 1 41 41 SER H H 1 8.074 0.02 . 1 . . . . A 41 SER H . 36002 1 295 . 1 . 1 41 41 SER HA H 1 4.324 0.02 . 1 . . . . A 41 SER HA . 36002 1 296 . 1 . 1 41 41 SER HB2 H 1 4.02 0.02 . 1 . . . . A 41 SER HB2 . 36002 1 297 . 1 . 1 41 41 SER HB3 H 1 4.22 0.02 . 1 . . . . A 41 SER HB3 . 36002 1 298 . 1 . 1 41 41 SER CA C 13 61.583 0.3 . 1 . . . . A 41 SER CA . 36002 1 299 . 1 . 1 41 41 SER CB C 13 62.71 0.3 . 1 . . . . A 41 SER CB . 36002 1 300 . 1 . 1 41 41 SER N N 15 118.519 0.3 . 1 . . . . A 41 SER N . 36002 1 301 . 1 . 1 42 42 LEU H H 1 7.273 0.02 . 1 . . . . A 42 LEU H . 36002 1 302 . 1 . 1 42 42 LEU HA H 1 4.527 0.02 . 1 . . . . A 42 LEU HA . 36002 1 303 . 1 . 1 42 42 LEU HB2 H 1 1.776 0.02 . 1 . . . . A 42 LEU HB2 . 36002 1 304 . 1 . 1 42 42 LEU HB3 H 1 1.776 0.02 . 1 . . . . A 42 LEU HB3 . 36002 1 305 . 1 . 1 42 42 LEU HG H 1 1.482 0.02 . 1 . . . . A 42 LEU HG . 36002 1 306 . 1 . 1 42 42 LEU HD11 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD11 . 36002 1 307 . 1 . 1 42 42 LEU HD12 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD12 . 36002 1 308 . 1 . 1 42 42 LEU HD13 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD13 . 36002 1 309 . 1 . 1 42 42 LEU HD21 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD21 . 36002 1 310 . 1 . 1 42 42 LEU HD22 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD22 . 36002 1 311 . 1 . 1 42 42 LEU HD23 H 1 0.828 0.02 . 1 . . . . A 42 LEU HD23 . 36002 1 312 . 1 . 1 42 42 LEU CA C 13 54.307 0.3 . 1 . . . . A 42 LEU CA . 36002 1 313 . 1 . 1 42 42 LEU CB C 13 41.743 0.3 . 1 . . . . A 42 LEU CB . 36002 1 314 . 1 . 1 42 42 LEU CD1 C 13 25.726 0.3 . 1 . . . . A 42 LEU CD1 . 36002 1 315 . 1 . 1 42 42 LEU N N 15 121.2 0.3 . 1 . . . . A 42 LEU N . 36002 1 316 . 1 . 1 43 43 GLY H H 1 7.975 0.02 . 1 . . . . A 43 GLY H . 36002 1 317 . 1 . 1 43 43 GLY HA2 H 1 3.836 0.02 . 2 . . . . A 43 GLY HA2 . 36002 1 318 . 1 . 1 43 43 GLY HA3 H 1 4.213 0.02 . 2 . . . . A 43 GLY HA3 . 36002 1 319 . 1 . 1 43 43 GLY CA C 13 45.773 0.3 . 1 . . . . A 43 GLY CA . 36002 1 320 . 1 . 1 43 43 GLY N N 15 106.803 0.3 . 1 . . . . A 43 GLY N . 36002 1 321 . 1 . 1 44 44 CYS H H 1 6.849 0.02 . 1 . . . . A 44 CYS H . 36002 1 322 . 1 . 1 44 44 CYS HA H 1 4.548 0.02 . 1 . . . . A 44 CYS HA . 36002 1 323 . 1 . 1 44 44 CYS HB2 H 1 3.187 0.02 . 1 . . . . A 44 CYS HB2 . 36002 1 324 . 1 . 1 44 44 CYS HB3 H 1 3.187 0.02 . 1 . . . . A 44 CYS HB3 . 36002 1 325 . 1 . 1 44 44 CYS CA C 13 58.909 0.3 . 1 . . . . A 44 CYS CA . 36002 1 326 . 1 . 1 44 44 CYS CB C 13 29.728 0.3 . 1 . . . . A 44 CYS CB . 36002 1 327 . 1 . 1 44 44 CYS N N 15 117.86 0.3 . 1 . . . . A 44 CYS N . 36002 1 328 . 1 . 1 45 45 ALA H H 1 8.834 0.02 . 1 . . . . A 45 ALA H . 36002 1 329 . 1 . 1 45 45 ALA HA H 1 4.872 0.02 . 1 . . . . A 45 ALA HA . 36002 1 330 . 1 . 1 45 45 ALA HB1 H 1 1.157 0.02 . 1 . . . . A 45 ALA HB1 . 36002 1 331 . 1 . 1 45 45 ALA HB2 H 1 1.157 0.02 . 1 . . . . A 45 ALA HB2 . 36002 1 332 . 1 . 1 45 45 ALA HB3 H 1 1.157 0.02 . 1 . . . . A 45 ALA HB3 . 36002 1 333 . 1 . 1 45 45 ALA CA C 13 50.106 0.3 . 1 . . . . A 45 ALA CA . 36002 1 334 . 1 . 1 45 45 ALA CB C 13 19.048 0.3 . 1 . . . . A 45 ALA CB . 36002 1 335 . 1 . 1 45 45 ALA N N 15 123.458 0.3 . 1 . . . . A 45 ALA N . 36002 1 336 . 1 . 1 47 47 THR H H 1 9.239 0.02 . 1 . . . . A 47 THR H . 36002 1 337 . 1 . 1 47 47 THR HA H 1 4.365 0.02 . 1 . . . . A 47 THR HA . 36002 1 338 . 1 . 1 47 47 THR HB H 1 4.774 0.02 . 1 . . . . A 47 THR HB . 36002 1 339 . 1 . 1 47 47 THR HG21 H 1 1.285 0.02 . 1 . . . . A 47 THR HG21 . 36002 1 340 . 1 . 1 47 47 THR HG22 H 1 1.285 0.02 . 1 . . . . A 47 THR HG22 . 36002 1 341 . 1 . 1 47 47 THR HG23 H 1 1.285 0.02 . 1 . . . . A 47 THR HG23 . 36002 1 342 . 1 . 1 47 47 THR CA C 13 60.639 0.3 . 1 . . . . A 47 THR CA . 36002 1 343 . 1 . 1 47 47 THR CB C 13 70.732 0.3 . 1 . . . . A 47 THR CB . 36002 1 344 . 1 . 1 47 47 THR CG2 C 13 21.794 0.3 . 1 . . . . A 47 THR CG2 . 36002 1 345 . 1 . 1 47 47 THR N N 15 113.578 0.3 . 1 . . . . A 47 THR N . 36002 1 346 . 1 . 1 48 48 GLU H H 1 8.921 0.02 . 1 . . . . A 48 GLU H . 36002 1 347 . 1 . 1 48 48 GLU HA H 1 3.959 0.02 . 1 . . . . A 48 GLU HA . 36002 1 348 . 1 . 1 48 48 GLU HB2 H 1 1.949 0.02 . 1 . . . . A 48 GLU HB2 . 36002 1 349 . 1 . 1 48 48 GLU HB3 H 1 1.949 0.02 . 1 . . . . A 48 GLU HB3 . 36002 1 350 . 1 . 1 48 48 GLU HG2 H 1 2.234 0.02 . 1 . . . . A 48 GLU HG2 . 36002 1 351 . 1 . 1 48 48 GLU HG3 H 1 2.234 0.02 . 1 . . . . A 48 GLU HG3 . 36002 1 352 . 1 . 1 48 48 GLU CA C 13 59.638 0.3 . 1 . . . . A 48 GLU CA . 36002 1 353 . 1 . 1 48 48 GLU CB C 13 28.792 0.3 . 1 . . . . A 48 GLU CB . 36002 1 354 . 1 . 1 48 48 GLU CG C 13 36.297 0.3 . 1 . . . . A 48 GLU CG . 36002 1 355 . 1 . 1 48 48 GLU N N 15 121.257 0.3 . 1 . . . . A 48 GLU N . 36002 1 356 . 1 . 1 49 49 ASP H H 1 8.126 0.02 . 1 . . . . A 49 ASP H . 36002 1 357 . 1 . 1 49 49 ASP HA H 1 4.324 0.02 . 1 . . . . A 49 ASP HA . 36002 1 358 . 1 . 1 49 49 ASP HB2 H 1 2.507 0.02 . 1 . . . . A 49 ASP HB2 . 36002 1 359 . 1 . 1 49 49 ASP HB3 H 1 2.507 0.02 . 1 . . . . A 49 ASP HB3 . 36002 1 360 . 1 . 1 49 49 ASP CA C 13 57.189 0.3 . 1 . . . . A 49 ASP CA . 36002 1 361 . 1 . 1 49 49 ASP CB C 13 40.291 0.3 . 1 . . . . A 49 ASP CB . 36002 1 362 . 1 . 1 49 49 ASP N N 15 117.021 0.3 . 1 . . . . A 49 ASP N . 36002 1 363 . 1 . 1 50 50 GLU H H 1 7.699 0.02 . 1 . . . . A 50 GLU H . 36002 1 364 . 1 . 1 50 50 GLU HA H 1 3.624 0.02 . 1 . . . . A 50 GLU HA . 36002 1 365 . 1 . 1 50 50 GLU HB2 H 1 2.276 0.02 . 2 . . . . A 50 GLU HB2 . 36002 1 366 . 1 . 1 50 50 GLU HB3 H 1 2.276 0.02 . 2 . . . . A 50 GLU HB3 . 36002 1 367 . 1 . 1 50 50 GLU CA C 13 59.17 0.3 . 1 . . . . A 50 GLU CA . 36002 1 368 . 1 . 1 50 50 GLU CB C 13 29.442 0.3 . 1 . . . . A 50 GLU CB . 36002 1 369 . 1 . 1 50 50 GLU N N 15 121.397 0.3 . 1 . . . . A 50 GLU N . 36002 1 370 . 1 . 1 51 51 VAL H H 1 8.042 0.02 . 1 . . . . A 51 VAL H . 36002 1 371 . 1 . 1 51 51 VAL HA H 1 3.441 0.02 . 1 . . . . A 51 VAL HA . 36002 1 372 . 1 . 1 51 51 VAL HB H 1 2.069 0.02 . 1 . . . . A 51 VAL HB . 36002 1 373 . 1 . 1 51 51 VAL HG11 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG11 . 36002 1 374 . 1 . 1 51 51 VAL HG12 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG12 . 36002 1 375 . 1 . 1 51 51 VAL HG13 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG13 . 36002 1 376 . 1 . 1 51 51 VAL HG21 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG21 . 36002 1 377 . 1 . 1 51 51 VAL HG22 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG22 . 36002 1 378 . 1 . 1 51 51 VAL HG23 H 1 0.877 0.02 . 1 . . . . A 51 VAL HG23 . 36002 1 379 . 1 . 1 51 51 VAL CA C 13 67.992 0.3 . 1 . . . . A 51 VAL CA . 36002 1 380 . 1 . 1 51 51 VAL CB C 13 30.584 0.3 . 1 . . . . A 51 VAL CB . 36002 1 381 . 1 . 1 51 51 VAL CG1 C 13 23.245 0.3 . 1 . . . . A 51 VAL CG1 . 36002 1 382 . 1 . 1 51 51 VAL N N 15 119.872 0.3 . 1 . . . . A 51 VAL N . 36002 1 383 . 1 . 1 52 52 ASN H H 1 8.196 0.02 . 1 . . . . A 52 ASN H . 36002 1 384 . 1 . 1 52 52 ASN HA H 1 4.398 0.02 . 1 . . . . A 52 ASN HA . 36002 1 385 . 1 . 1 52 52 ASN HB2 H 1 2.723 0.02 . 1 . . . . A 52 ASN HB2 . 36002 1 386 . 1 . 1 52 52 ASN HB3 H 1 2.723 0.02 . 1 . . . . A 52 ASN HB3 . 36002 1 387 . 1 . 1 52 52 ASN CA C 13 56.034 0.3 . 1 . . . . A 52 ASN CA . 36002 1 388 . 1 . 1 52 52 ASN CB C 13 37.44 0.3 . 1 . . . . A 52 ASN CB . 36002 1 389 . 1 . 1 52 52 ASN N N 15 116.861 0.3 . 1 . . . . A 52 ASN N . 36002 1 390 . 1 . 1 53 53 SER H H 1 8.064 0.02 . 1 . . . . A 53 SER H . 36002 1 391 . 1 . 1 53 53 SER HA H 1 4.152 0.02 . 1 . . . . A 53 SER HA . 36002 1 392 . 1 . 1 53 53 SER HB2 H 1 3.817 0.02 . 1 . . . . A 53 SER HB2 . 36002 1 393 . 1 . 1 53 53 SER HB3 H 1 3.817 0.02 . 1 . . . . A 53 SER HB3 . 36002 1 394 . 1 . 1 53 53 SER CA C 13 62.004 0.3 . 1 . . . . A 53 SER CA . 36002 1 395 . 1 . 1 53 53 SER CB C 13 65.647 0.3 . 1 . . . . A 53 SER CB . 36002 1 396 . 1 . 1 53 53 SER N N 15 117.559 0.3 . 1 . . . . A 53 SER N . 36002 1 397 . 1 . 1 54 54 TYR H H 1 8.096 0.02 . 1 . . . . A 54 TYR H . 36002 1 398 . 1 . 1 54 54 TYR HA H 1 4.639 0.02 . 1 . . . . A 54 TYR HA . 36002 1 399 . 1 . 1 54 54 TYR HB2 H 1 2.964 0.02 . 1 . . . . A 54 TYR HB2 . 36002 1 400 . 1 . 1 54 54 TYR HB3 H 1 2.964 0.02 . 1 . . . . A 54 TYR HB3 . 36002 1 401 . 1 . 1 54 54 TYR CA C 13 59.513 0.3 . 1 . . . . A 54 TYR CA . 36002 1 402 . 1 . 1 54 54 TYR CB C 13 37.163 0.3 . 1 . . . . A 54 TYR CB . 36002 1 403 . 1 . 1 54 54 TYR N N 15 122.858 0.3 . 1 . . . . A 54 TYR N . 36002 1 404 . 1 . 1 55 55 ILE H H 1 7.923 0.02 . 1 . . . . A 55 ILE H . 36002 1 405 . 1 . 1 55 55 ILE HA H 1 3.888 0.02 . 1 . . . . A 55 ILE HA . 36002 1 406 . 1 . 1 55 55 ILE HB H 1 2.03 0.02 . 1 . . . . A 55 ILE HB . 36002 1 407 . 1 . 1 55 55 ILE CA C 13 65.709 0.3 . 1 . . . . A 55 ILE CA . 36002 1 408 . 1 . 1 55 55 ILE CB C 13 37.929 0.3 . 1 . . . . A 55 ILE CB . 36002 1 409 . 1 . 1 55 55 ILE N N 15 119.722 0.3 . 1 . . . . A 55 ILE N . 36002 1 410 . 1 . 1 56 56 LYS H H 1 7.383 0.02 . 1 . . . . A 56 LYS H . 36002 1 411 . 1 . 1 56 56 LYS HA H 1 4.101 0.02 . 1 . . . . A 56 LYS HA . 36002 1 412 . 1 . 1 56 56 LYS HB2 H 1 1.868 0.02 . 1 . . . . A 56 LYS HB2 . 36002 1 413 . 1 . 1 56 56 LYS HB3 H 1 1.868 0.02 . 1 . . . . A 56 LYS HB3 . 36002 1 414 . 1 . 1 56 56 LYS CA C 13 58.575 0.3 . 1 . . . . A 56 LYS CA . 36002 1 415 . 1 . 1 56 56 LYS CB C 13 32.286 0.3 . 1 . . . . A 56 LYS CB . 36002 1 416 . 1 . 1 56 56 LYS N N 15 117.405 0.3 . 1 . . . . A 56 LYS N . 36002 1 417 . 1 . 1 57 57 GLU H H 1 8.608 0.02 . 1 . . . . A 57 GLU H . 36002 1 418 . 1 . 1 57 57 GLU CA C 13 59.052 0.3 . 1 . . . . A 57 GLU CA . 36002 1 419 . 1 . 1 57 57 GLU CB C 13 29.768 0.3 . 1 . . . . A 57 GLU CB . 36002 1 420 . 1 . 1 57 57 GLU N N 15 120.399 0.3 . 1 . . . . A 57 GLU N . 36002 1 421 . 1 . 1 58 58 PHE H H 1 8.169 0.02 . 1 . . . . A 58 PHE H . 36002 1 422 . 1 . 1 58 58 PHE HA H 1 4.598 0.02 . 1 . . . . A 58 PHE HA . 36002 1 423 . 1 . 1 58 58 PHE HB2 H 1 2.741 0.02 . 2 . . . . A 58 PHE HB2 . 36002 1 424 . 1 . 1 58 58 PHE HB3 H 1 3.299 0.02 . 2 . . . . A 58 PHE HB3 . 36002 1 425 . 1 . 1 58 58 PHE CA C 13 58.624 0.3 . 1 . . . . A 58 PHE CA . 36002 1 426 . 1 . 1 58 58 PHE CB C 13 38.31 0.3 . 1 . . . . A 58 PHE CB . 36002 1 427 . 1 . 1 58 58 PHE N N 15 113.232 0.3 . 1 . . . . A 58 PHE N . 36002 1 428 . 1 . 1 59 59 ALA H H 1 7.884 0.02 . 1 . . . . A 59 ALA H . 36002 1 429 . 1 . 1 59 59 ALA HA H 1 4.233 0.02 . 1 . . . . A 59 ALA HA . 36002 1 430 . 1 . 1 59 59 ALA HB1 H 1 1.39 0.02 . 1 . . . . A 59 ALA HB1 . 36002 1 431 . 1 . 1 59 59 ALA HB2 H 1 1.39 0.02 . 1 . . . . A 59 ALA HB2 . 36002 1 432 . 1 . 1 59 59 ALA HB3 H 1 1.39 0.02 . 1 . . . . A 59 ALA HB3 . 36002 1 433 . 1 . 1 59 59 ALA CA C 13 52.618 0.3 . 1 . . . . A 59 ALA CA . 36002 1 434 . 1 . 1 59 59 ALA CB C 13 17.043 0.3 . 1 . . . . A 59 ALA CB . 36002 1 435 . 1 . 1 59 59 ALA N N 15 121.874 0.3 . 1 . . . . A 59 ALA N . 36002 1 436 . 1 . 1 60 60 ILE H H 1 8.291 0.02 . 1 . . . . A 60 ILE H . 36002 1 437 . 1 . 1 60 60 ILE HA H 1 4.131 0.02 . 1 . . . . A 60 ILE HA . 36002 1 438 . 1 . 1 60 60 ILE HB H 1 2.142 0.02 . 1 . . . . A 60 ILE HB . 36002 1 439 . 1 . 1 60 60 ILE CA C 13 61.757 0.3 . 1 . . . . A 60 ILE CA . 36002 1 440 . 1 . 1 60 60 ILE CB C 13 36.594 0.3 . 1 . . . . A 60 ILE CB . 36002 1 441 . 1 . 1 60 60 ILE N N 15 119.357 0.3 . 1 . . . . A 60 ILE N . 36002 1 442 . 1 . 1 61 61 GLU H H 1 8.392 0.02 . 1 . . . . A 61 GLU H . 36002 1 443 . 1 . 1 61 61 GLU HA H 1 4.223 0.02 . 1 . . . . A 61 GLU HA . 36002 1 444 . 1 . 1 61 61 GLU HB2 H 1 1.929 0.02 . 1 . . . . A 61 GLU HB2 . 36002 1 445 . 1 . 1 61 61 GLU HB3 H 1 1.929 0.02 . 1 . . . . A 61 GLU HB3 . 36002 1 446 . 1 . 1 61 61 GLU HG2 H 1 2.145 0.02 . 1 . . . . A 61 GLU HG2 . 36002 1 447 . 1 . 1 61 61 GLU HG3 H 1 2.145 0.02 . 1 . . . . A 61 GLU HG3 . 36002 1 448 . 1 . 1 61 61 GLU CA C 13 56.455 0.3 . 1 . . . . A 61 GLU CA . 36002 1 449 . 1 . 1 61 61 GLU CB C 13 30.491 0.3 . 1 . . . . A 61 GLU CB . 36002 1 450 . 1 . 1 61 61 GLU CG C 13 36.181 0.3 . 1 . . . . A 61 GLU CG . 36002 1 451 . 1 . 1 61 61 GLU N N 15 125.313 0.3 . 1 . . . . A 61 GLU N . 36002 1 452 . 1 . 1 62 62 GLY H H 1 8.385 0.02 . 1 . . . . A 62 GLY H . 36002 1 453 . 1 . 1 62 62 GLY HA2 H 1 4.05 0.02 . 2 . . . . A 62 GLY HA2 . 36002 1 454 . 1 . 1 62 62 GLY HA3 H 1 4.05 0.02 . 2 . . . . A 62 GLY HA3 . 36002 1 455 . 1 . 1 62 62 GLY CA C 13 45.151 0.3 . 1 . . . . A 62 GLY CA . 36002 1 456 . 1 . 1 62 62 GLY N N 15 109.226 0.3 . 1 . . . . A 62 GLY N . 36002 1 457 . 1 . 1 63 63 GLU H H 1 8.436 0.02 . 1 . . . . A 63 GLU H . 36002 1 458 . 1 . 1 63 63 GLU HA H 1 4.385 0.02 . 1 . . . . A 63 GLU HA . 36002 1 459 . 1 . 1 63 63 GLU HB2 H 1 2.01 0.02 . 1 . . . . A 63 GLU HB2 . 36002 1 460 . 1 . 1 63 63 GLU HG2 H 1 2.314 0.02 . 1 . . . . A 63 GLU HG2 . 36002 1 461 . 1 . 1 63 63 GLU HG3 H 1 2.314 0.02 . 1 . . . . A 63 GLU HG3 . 36002 1 462 . 1 . 1 63 63 GLU CA C 13 57.234 0.3 . 1 . . . . A 63 GLU CA . 36002 1 463 . 1 . 1 63 63 GLU CB C 13 30.751 0.3 . 1 . . . . A 63 GLU CB . 36002 1 464 . 1 . 1 63 63 GLU CG C 13 36.615 0.3 . 1 . . . . A 63 GLU CG . 36002 1 465 . 1 . 1 63 63 GLU N N 15 116.91 0.3 . 1 . . . . A 63 GLU N . 36002 1 466 . 1 . 1 64 64 THR H H 1 7.699 0.02 . 1 . . . . A 64 THR H . 36002 1 467 . 1 . 1 64 64 THR HA H 1 5.349 0.02 . 1 . . . . A 64 THR HA . 36002 1 468 . 1 . 1 64 64 THR HB H 1 3.837 0.02 . 1 . . . . A 64 THR HB . 36002 1 469 . 1 . 1 64 64 THR HG21 H 1 1.392 0.02 . 1 . . . . A 64 THR HG21 . 36002 1 470 . 1 . 1 64 64 THR HG22 H 1 1.392 0.02 . 1 . . . . A 64 THR HG22 . 36002 1 471 . 1 . 1 64 64 THR HG23 H 1 1.392 0.02 . 1 . . . . A 64 THR HG23 . 36002 1 472 . 1 . 1 64 64 THR CA C 13 59.575 0.3 . 1 . . . . A 64 THR CA . 36002 1 473 . 1 . 1 64 64 THR CB C 13 73.708 0.3 . 1 . . . . A 64 THR CB . 36002 1 474 . 1 . 1 64 64 THR CG2 C 13 24.7 0.3 . 1 . . . . A 64 THR CG2 . 36002 1 475 . 1 . 1 64 64 THR N N 15 108.377 0.3 . 1 . . . . A 64 THR N . 36002 1 476 . 1 . 1 65 65 PHE H H 1 8.953 0.02 . 1 . . . . A 65 PHE H . 36002 1 477 . 1 . 1 65 65 PHE HA H 1 5.339 0.02 . 1 . . . . A 65 PHE HA . 36002 1 478 . 1 . 1 65 65 PHE HB2 H 1 2.873 0.02 . 2 . . . . A 65 PHE HB2 . 36002 1 479 . 1 . 1 65 65 PHE HB3 H 1 3.208 0.02 . 2 . . . . A 65 PHE HB3 . 36002 1 480 . 1 . 1 65 65 PHE HD1 H 1 7.167 0.02 . 1 . . . . A 65 PHE HD1 . 36002 1 481 . 1 . 1 65 65 PHE HZ H 1 6.879 0.02 . 1 . . . . A 65 PHE HZ . 36002 1 482 . 1 . 1 65 65 PHE CA C 13 55.232 0.3 . 1 . . . . A 65 PHE CA . 36002 1 483 . 1 . 1 65 65 PHE CB C 13 42.22 0.3 . 1 . . . . A 65 PHE CB . 36002 1 484 . 1 . 1 65 65 PHE N N 15 114.189 0.3 . 1 . . . . A 65 PHE N . 36002 1 485 . 1 . 1 66 66 GLN H H 1 8.557 0.02 . 1 . . . . A 66 GLN H . 36002 1 486 . 1 . 1 66 66 GLN HA H 1 5.167 0.02 . 1 . . . . A 66 GLN HA . 36002 1 487 . 1 . 1 66 66 GLN HB2 H 1 2.457 0.02 . 2 . . . . A 66 GLN HB2 . 36002 1 488 . 1 . 1 66 66 GLN HB3 H 1 2.457 0.02 . 2 . . . . A 66 GLN HB3 . 36002 1 489 . 1 . 1 66 66 GLN CA C 13 54.177 0.3 . 1 . . . . A 66 GLN CA . 36002 1 490 . 1 . 1 66 66 GLN CB C 13 32.423 0.3 . 1 . . . . A 66 GLN CB . 36002 1 491 . 1 . 1 66 66 GLN N N 15 117.467 0.3 . 1 . . . . A 66 GLN N . 36002 1 492 . 1 . 1 67 67 ILE H H 1 8.685 0.02 . 1 . . . . A 67 ILE H . 36002 1 493 . 1 . 1 67 67 ILE HA H 1 4.314 0.02 . 1 . . . . A 67 ILE HA . 36002 1 494 . 1 . 1 67 67 ILE HB H 1 2.181 0.02 . 1 . . . . A 67 ILE HB . 36002 1 495 . 1 . 1 67 67 ILE CA C 13 63.634 0.3 . 1 . . . . A 67 ILE CA . 36002 1 496 . 1 . 1 67 67 ILE CB C 13 37.243 0.3 . 1 . . . . A 67 ILE CB . 36002 1 497 . 1 . 1 67 67 ILE N N 15 123.746 0.3 . 1 . . . . A 67 ILE N . 36002 1 498 . 1 . 1 68 68 GLU H H 1 8.886 0.02 . 1 . . . . A 68 GLU H . 36002 1 499 . 1 . 1 68 68 GLU HA H 1 3.999 0.02 . 1 . . . . A 68 GLU HA . 36002 1 500 . 1 . 1 68 68 GLU HB2 H 1 1.898 0.02 . 1 . . . . A 68 GLU HB2 . 36002 1 501 . 1 . 1 68 68 GLU HB3 H 1 1.898 0.02 . 1 . . . . A 68 GLU HB3 . 36002 1 502 . 1 . 1 68 68 GLU CA C 13 60.364 0.3 . 1 . . . . A 68 GLU CA . 36002 1 503 . 1 . 1 68 68 GLU CB C 13 27.872 0.3 . 1 . . . . A 68 GLU CB . 36002 1 504 . 1 . 1 68 68 GLU N N 15 121.476 0.3 . 1 . . . . A 68 GLU N . 36002 1 505 . 1 . 1 69 69 GLN H H 1 7.089 0.02 . 1 . . . . A 69 GLN H . 36002 1 506 . 1 . 1 69 69 GLN HA H 1 3.908 0.02 . 1 . . . . A 69 GLN HA . 36002 1 507 . 1 . 1 69 69 GLN HB3 H 1 1.736 0.02 . 2 . . . . A 69 GLN HB3 . 36002 1 508 . 1 . 1 69 69 GLN HG2 H 1 2.67 0.02 . 1 . . . . A 69 GLN HG2 . 36002 1 509 . 1 . 1 69 69 GLN HG3 H 1 2.67 0.02 . 1 . . . . A 69 GLN HG3 . 36002 1 510 . 1 . 1 69 69 GLN CA C 13 59.153 0.3 . 1 . . . . A 69 GLN CA . 36002 1 511 . 1 . 1 69 69 GLN CB C 13 28.371 0.3 . 1 . . . . A 69 GLN CB . 36002 1 512 . 1 . 1 69 69 GLN CG C 13 34.9 0.3 . 1 . . . . A 69 GLN CG . 36002 1 513 . 1 . 1 69 69 GLN N N 15 115.092 0.3 . 1 . . . . A 69 GLN N . 36002 1 514 . 1 . 1 71 71 GLU H H 1 7.998 0.02 . 1 . . . . A 71 GLU H . 36002 1 515 . 1 . 1 71 71 GLU HA H 1 3.959 0.02 . 1 . . . . A 71 GLU HA . 36002 1 516 . 1 . 1 71 71 GLU HB2 H 1 1.928 0.02 . 1 . . . . A 71 GLU HB2 . 36002 1 517 . 1 . 1 71 71 GLU HB3 H 1 1.928 0.02 . 1 . . . . A 71 GLU HB3 . 36002 1 518 . 1 . 1 71 71 GLU CA C 13 59.757 0.3 . 1 . . . . A 71 GLU CA . 36002 1 519 . 1 . 1 71 71 GLU CB C 13 32.109 0.3 . 1 . . . . A 71 GLU CB . 36002 1 520 . 1 . 1 71 71 GLU N N 15 120.096 0.3 . 1 . . . . A 71 GLU N . 36002 1 521 . 1 . 1 72 72 LEU H H 1 8.257 0.02 . 1 . . . . A 72 LEU H . 36002 1 522 . 1 . 1 72 72 LEU HA H 1 4.213 0.02 . 1 . . . . A 72 LEU HA . 36002 1 523 . 1 . 1 72 72 LEU CA C 13 57.7 0.3 . 1 . . . . A 72 LEU CA . 36002 1 524 . 1 . 1 72 72 LEU CB C 13 41.838 0.3 . 1 . . . . A 72 LEU CB . 36002 1 525 . 1 . 1 72 72 LEU N N 15 120.185 0.3 . 1 . . . . A 72 LEU N . 36002 1 526 . 1 . 1 73 73 ILE H H 1 7.481 0.02 . 1 . . . . A 73 ILE H . 36002 1 527 . 1 . 1 73 73 ILE HA H 1 4.045 0.02 . 1 . . . . A 73 ILE HA . 36002 1 528 . 1 . 1 73 73 ILE HB H 1 1.715 0.02 . 1 . . . . A 73 ILE HB . 36002 1 529 . 1 . 1 73 73 ILE CA C 13 65.03 0.3 . 1 . . . . A 73 ILE CA . 36002 1 530 . 1 . 1 73 73 ILE CB C 13 37.833 0.3 . 1 . . . . A 73 ILE CB . 36002 1 531 . 1 . 1 73 73 ILE N N 15 120.818 0.3 . 1 . . . . A 73 ILE N . 36002 1 532 . 1 . 1 74 74 MET H H 1 7.897 0.02 . 1 . . . . A 74 MET H . 36002 1 533 . 1 . 1 74 74 MET HA H 1 4.233 0.02 . 1 . . . . A 74 MET HA . 36002 1 534 . 1 . 1 74 74 MET CA C 13 54.743 0.3 . 1 . . . . A 74 MET CA . 36002 1 535 . 1 . 1 74 74 MET CB C 13 27.916 0.3 . 1 . . . . A 74 MET CB . 36002 1 536 . 1 . 1 74 74 MET N N 15 115.612 0.3 . 1 . . . . A 74 MET N . 36002 1 537 . 1 . 1 75 75 GLU H H 1 7.77 0.02 . 1 . . . . A 75 GLU H . 36002 1 538 . 1 . 1 75 75 GLU HA H 1 3.907 0.02 . 1 . . . . A 75 GLU HA . 36002 1 539 . 1 . 1 75 75 GLU HB2 H 1 1.989 0.02 . 1 . . . . A 75 GLU HB2 . 36002 1 540 . 1 . 1 75 75 GLU HB3 H 1 1.989 0.02 . 1 . . . . A 75 GLU HB3 . 36002 1 541 . 1 . 1 75 75 GLU HG2 H 1 2.24 0.02 . 1 . . . . A 75 GLU HG2 . 36002 1 542 . 1 . 1 75 75 GLU HG3 H 1 2.24 0.02 . 1 . . . . A 75 GLU HG3 . 36002 1 543 . 1 . 1 75 75 GLU CA C 13 59.194 0.3 . 1 . . . . A 75 GLU CA . 36002 1 544 . 1 . 1 75 75 GLU CB C 13 28.87 0.3 . 1 . . . . A 75 GLU CB . 36002 1 545 . 1 . 1 75 75 GLU CG C 13 36.384 0.3 . 1 . . . . A 75 GLU CG . 36002 1 546 . 1 . 1 75 75 GLU N N 15 120.639 0.3 . 1 . . . . A 75 GLU N . 36002 1 547 . 1 . 1 76 76 ARG H H 1 7.327 0.02 . 1 . . . . A 76 ARG H . 36002 1 548 . 1 . 1 76 76 ARG HA H 1 3.989 0.02 . 1 . . . . A 76 ARG HA . 36002 1 549 . 1 . 1 76 76 ARG HB2 H 1 2.063 0.02 . 1 . . . . A 76 ARG HB2 . 36002 1 550 . 1 . 1 76 76 ARG HB3 H 1 2.063 0.02 . 1 . . . . A 76 ARG HB3 . 36002 1 551 . 1 . 1 76 76 ARG CA C 13 58.051 0.3 . 1 . . . . A 76 ARG CA . 36002 1 552 . 1 . 1 76 76 ARG CB C 13 28.942 0.3 . 1 . . . . A 76 ARG CB . 36002 1 553 . 1 . 1 76 76 ARG N N 15 119.73 0.3 . 1 . . . . A 76 ARG N . 36002 1 554 . 1 . 1 77 77 GLU H H 1 8.526 0.02 . 1 . . . . A 77 GLU H . 36002 1 555 . 1 . 1 77 77 GLU HA H 1 3.959 0.02 . 1 . . . . A 77 GLU HA . 36002 1 556 . 1 . 1 77 77 GLU HB2 H 1 2.081 0.02 . 1 . . . . A 77 GLU HB2 . 36002 1 557 . 1 . 1 77 77 GLU HB3 H 1 2.081 0.02 . 1 . . . . A 77 GLU HB3 . 36002 1 558 . 1 . 1 77 77 GLU CA C 13 59.101 0.3 . 1 . . . . A 77 GLU CA . 36002 1 559 . 1 . 1 77 77 GLU CB C 13 30.248 0.3 . 1 . . . . A 77 GLU CB . 36002 1 560 . 1 . 1 77 77 GLU N N 15 120.768 0.3 . 1 . . . . A 77 GLU N . 36002 1 561 . 1 . 1 78 78 GLN H H 1 8.49 0.02 . 1 . . . . A 78 GLN H . 36002 1 562 . 1 . 1 78 78 GLN HA H 1 4.04 0.02 . 1 . . . . A 78 GLN HA . 36002 1 563 . 1 . 1 78 78 GLN HB2 H 1 2.01 0.02 . 1 . . . . A 78 GLN HB2 . 36002 1 564 . 1 . 1 78 78 GLN HB3 H 1 2.01 0.02 . 1 . . . . A 78 GLN HB3 . 36002 1 565 . 1 . 1 78 78 GLN HG2 H 1 2.49 0.02 . 1 . . . . A 78 GLN HG2 . 36002 1 566 . 1 . 1 78 78 GLN HG3 H 1 2.49 0.02 . 1 . . . . A 78 GLN HG3 . 36002 1 567 . 1 . 1 78 78 GLN CA C 13 57.714 0.3 . 1 . . . . A 78 GLN CA . 36002 1 568 . 1 . 1 78 78 GLN CB C 13 28.393 0.3 . 1 . . . . A 78 GLN CB . 36002 1 569 . 1 . 1 78 78 GLN CG C 13 35.236 0.3 . 1 . . . . A 78 GLN CG . 36002 1 570 . 1 . 1 78 78 GLN N N 15 114.935 0.3 . 1 . . . . A 78 GLN N . 36002 1 571 . 1 . 1 79 79 SER H H 1 7.46 0.02 . 1 . . . . A 79 SER H . 36002 1 572 . 1 . 1 79 79 SER HA H 1 4.456 0.02 . 1 . . . . A 79 SER HA . 36002 1 573 . 1 . 1 79 79 SER HB2 H 1 3.959 0.02 . 1 . . . . A 79 SER HB2 . 36002 1 574 . 1 . 1 79 79 SER HB3 H 1 3.959 0.02 . 1 . . . . A 79 SER HB3 . 36002 1 575 . 1 . 1 79 79 SER CA C 13 58.499 0.3 . 1 . . . . A 79 SER CA . 36002 1 576 . 1 . 1 79 79 SER CB C 13 63.962 0.3 . 1 . . . . A 79 SER CB . 36002 1 577 . 1 . 1 79 79 SER N N 15 112.849 0.3 . 1 . . . . A 79 SER N . 36002 1 578 . 1 . 1 80 80 LYS H H 1 7.14 0.02 . 1 . . . . A 80 LYS H . 36002 1 579 . 1 . 1 80 80 LYS HA H 1 4.385 0.02 . 1 . . . . A 80 LYS HA . 36002 1 580 . 1 . 1 80 80 LYS HB2 H 1 1.834 0.02 . 1 . . . . A 80 LYS HB2 . 36002 1 581 . 1 . 1 80 80 LYS HB3 H 1 1.834 0.02 . 1 . . . . A 80 LYS HB3 . 36002 1 582 . 1 . 1 80 80 LYS HG2 H 1 1.453 0.02 . 1 . . . . A 80 LYS HG2 . 36002 1 583 . 1 . 1 80 80 LYS HG3 H 1 1.453 0.02 . 1 . . . . A 80 LYS HG3 . 36002 1 584 . 1 . 1 80 80 LYS HD2 H 1 1.636 0.02 . 1 . . . . A 80 LYS HD2 . 36002 1 585 . 1 . 1 80 80 LYS HD3 H 1 1.636 0.02 . 1 . . . . A 80 LYS HD3 . 36002 1 586 . 1 . 1 80 80 LYS CA C 13 55.732 0.3 . 1 . . . . A 80 LYS CA . 36002 1 587 . 1 . 1 80 80 LYS CB C 13 31.635 0.3 . 1 . . . . A 80 LYS CB . 36002 1 588 . 1 . 1 80 80 LYS CG C 13 26.639 0.3 . 1 . . . . A 80 LYS CG . 36002 1 589 . 1 . 1 80 80 LYS CD C 13 28.762 0.3 . 1 . . . . A 80 LYS CD . 36002 1 590 . 1 . 1 80 80 LYS N N 15 124.037 0.3 . 1 . . . . A 80 LYS N . 36002 1 591 . 1 . 1 82 82 ASP H H 1 8.424 0.02 . 1 . . . . A 82 ASP H . 36002 1 592 . 1 . 1 82 82 ASP HA H 1 4.578 0.02 . 1 . . . . A 82 ASP HA . 36002 1 593 . 1 . 1 82 82 ASP HB2 H 1 2.68 0.02 . 1 . . . . A 82 ASP HB2 . 36002 1 594 . 1 . 1 82 82 ASP HB3 H 1 2.68 0.02 . 1 . . . . A 82 ASP HB3 . 36002 1 595 . 1 . 1 82 82 ASP CA C 13 54.328 0.3 . 1 . . . . A 82 ASP CA . 36002 1 596 . 1 . 1 82 82 ASP CB C 13 41.171 0.3 . 1 . . . . A 82 ASP CB . 36002 1 597 . 1 . 1 82 82 ASP N N 15 120.312 0.3 . 1 . . . . A 82 ASP N . 36002 1 598 . 1 . 1 83 83 THR H H 1 7.75 0.02 . 1 . . . . A 83 THR H . 36002 1 599 . 1 . 1 83 83 THR HA H 1 4.172 0.02 . 1 . . . . A 83 THR HA . 36002 1 600 . 1 . 1 83 83 THR HB H 1 4.416 0.02 . 1 . . . . A 83 THR HB . 36002 1 601 . 1 . 1 83 83 THR HG21 H 1 1.238 0.02 . 1 . . . . A 83 THR HG21 . 36002 1 602 . 1 . 1 83 83 THR HG22 H 1 1.238 0.02 . 1 . . . . A 83 THR HG22 . 36002 1 603 . 1 . 1 83 83 THR HG23 H 1 1.238 0.02 . 1 . . . . A 83 THR HG23 . 36002 1 604 . 1 . 1 83 83 THR CA C 13 63.025 0.3 . 1 . . . . A 83 THR CA . 36002 1 605 . 1 . 1 83 83 THR CB C 13 69.874 0.3 . 1 . . . . A 83 THR CB . 36002 1 606 . 1 . 1 83 83 THR CG2 C 13 21.817 0.3 . 1 . . . . A 83 THR CG2 . 36002 1 607 . 1 . 1 83 83 THR N N 15 113.983 0.3 . 1 . . . . A 83 THR N . 36002 1 608 . 1 . 1 84 84 ARG H H 1 8.423 0.02 . 1 . . . . A 84 ARG H . 36002 1 609 . 1 . 1 84 84 ARG HA H 1 4.229 0.02 . 1 . . . . A 84 ARG HA . 36002 1 610 . 1 . 1 84 84 ARG HB2 H 1 1.88 0.02 . 1 . . . . A 84 ARG HB2 . 36002 1 611 . 1 . 1 84 84 ARG HB3 H 1 1.88 0.02 . 1 . . . . A 84 ARG HB3 . 36002 1 612 . 1 . 1 84 84 ARG CA C 13 59.284 0.3 . 1 . . . . A 84 ARG CA . 36002 1 613 . 1 . 1 84 84 ARG CB C 13 29.161 0.3 . 1 . . . . A 84 ARG CB . 36002 1 614 . 1 . 1 84 84 ARG N N 15 122.425 0.3 . 1 . . . . A 84 ARG N . 36002 1 615 . 1 . 1 85 85 GLU H H 1 7.829 0.02 . 1 . . . . A 85 GLU H . 36002 1 616 . 1 . 1 85 85 GLU HA H 1 4.702 0.02 . 1 . . . . A 85 GLU HA . 36002 1 617 . 1 . 1 85 85 GLU HB2 H 1 1.683 0.02 . 1 . . . . A 85 GLU HB2 . 36002 1 618 . 1 . 1 85 85 GLU HB3 H 1 1.683 0.02 . 1 . . . . A 85 GLU HB3 . 36002 1 619 . 1 . 1 85 85 GLU CA C 13 58.117 0.3 . 1 . . . . A 85 GLU CA . 36002 1 620 . 1 . 1 85 85 GLU N N 15 117.251 0.3 . 1 . . . . A 85 GLU N . 36002 1 621 . 1 . 1 86 86 ILE H H 1 8.476 0.02 . 1 . . . . A 86 ILE H . 36002 1 622 . 1 . 1 86 86 ILE HB H 1 1.498 0.02 . 1 . . . . A 86 ILE HB . 36002 1 623 . 1 . 1 86 86 ILE CA C 13 57.725 0.3 . 1 . . . . A 86 ILE CA . 36002 1 624 . 1 . 1 86 86 ILE CB C 13 41.457 0.3 . 1 . . . . A 86 ILE CB . 36002 1 625 . 1 . 1 86 86 ILE N N 15 120.574 0.3 . 1 . . . . A 86 ILE N . 36002 1 626 . 1 . 1 87 87 LYS H H 1 8.332 0.02 . 1 . . . . A 87 LYS H . 36002 1 627 . 1 . 1 87 87 LYS CA C 13 60.056 0.3 . 1 . . . . A 87 LYS CA . 36002 1 628 . 1 . 1 87 87 LYS CB C 13 29.346 0.3 . 1 . . . . A 87 LYS CB . 36002 1 629 . 1 . 1 87 87 LYS N N 15 120.114 0.3 . 1 . . . . A 87 LYS N . 36002 1 630 . 1 . 1 88 88 LEU H H 1 6.927 0.02 . 1 . . . . A 88 LEU H . 36002 1 631 . 1 . 1 88 88 LEU HA H 1 3.786 0.02 . 1 . . . . A 88 LEU HA . 36002 1 632 . 1 . 1 88 88 LEU HB2 H 1 1.441 0.02 . 2 . . . . A 88 LEU HB2 . 36002 1 633 . 1 . 1 88 88 LEU HB3 H 1 1.441 0.02 . 2 . . . . A 88 LEU HB3 . 36002 1 634 . 1 . 1 88 88 LEU CA C 13 57.697 0.3 . 1 . . . . A 88 LEU CA . 36002 1 635 . 1 . 1 88 88 LEU CB C 13 41.457 0.3 . 1 . . . . A 88 LEU CB . 36002 1 636 . 1 . 1 88 88 LEU N N 15 119.184 0.3 . 1 . . . . A 88 LEU N . 36002 1 637 . 1 . 1 89 89 ARG H H 1 8.089 0.02 . 1 . . . . A 89 ARG H . 36002 1 638 . 1 . 1 89 89 ARG HA H 1 4.832 0.02 . 1 . . . . A 89 ARG HA . 36002 1 639 . 1 . 1 89 89 ARG HB2 H 1 1.683 0.02 . 1 . . . . A 89 ARG HB2 . 36002 1 640 . 1 . 1 89 89 ARG HB3 H 1 1.683 0.02 . 1 . . . . A 89 ARG HB3 . 36002 1 641 . 1 . 1 89 89 ARG CA C 13 58.929 0.3 . 1 . . . . A 89 ARG CA . 36002 1 642 . 1 . 1 89 89 ARG CB C 13 31.697 0.3 . 1 . . . . A 89 ARG CB . 36002 1 643 . 1 . 1 89 89 ARG N N 15 118.341 0.3 . 1 . . . . A 89 ARG N . 36002 1 644 . 1 . 1 91 91 ALA H H 1 7.816 0.02 . 1 . . . . A 91 ALA H . 36002 1 645 . 1 . 1 91 91 ALA HA H 1 3.888 0.02 . 1 . . . . A 91 ALA HA . 36002 1 646 . 1 . 1 91 91 ALA HB1 H 1 1.563 0.02 . 1 . . . . A 91 ALA HB1 . 36002 1 647 . 1 . 1 91 91 ALA HB2 H 1 1.563 0.02 . 1 . . . . A 91 ALA HB2 . 36002 1 648 . 1 . 1 91 91 ALA HB3 H 1 1.563 0.02 . 1 . . . . A 91 ALA HB3 . 36002 1 649 . 1 . 1 91 91 ALA CA C 13 54.72 0.3 . 1 . . . . A 91 ALA CA . 36002 1 650 . 1 . 1 91 91 ALA CB C 13 17.331 0.3 . 1 . . . . A 91 ALA CB . 36002 1 651 . 1 . 1 91 91 ALA N N 15 121.845 0.3 . 1 . . . . A 91 ALA N . 36002 1 652 . 1 . 1 92 92 PHE H H 1 8.019 0.02 . 1 . . . . A 92 PHE H . 36002 1 653 . 1 . 1 92 92 PHE HA H 1 3.985 0.02 . 1 . . . . A 92 PHE HA . 36002 1 654 . 1 . 1 92 92 PHE CA C 13 61.957 0.3 . 1 . . . . A 92 PHE CA . 36002 1 655 . 1 . 1 92 92 PHE CB C 13 39.645 0.3 . 1 . . . . A 92 PHE CB . 36002 1 656 . 1 . 1 92 92 PHE N N 15 118.605 0.3 . 1 . . . . A 92 PHE N . 36002 1 657 . 1 . 1 93 93 GLU H H 1 7.875 0.02 . 1 . . . . A 93 GLU H . 36002 1 658 . 1 . 1 93 93 GLU HB2 H 1 2.05 0.02 . 1 . . . . A 93 GLU HB2 . 36002 1 659 . 1 . 1 93 93 GLU HB3 H 1 2.05 0.02 . 1 . . . . A 93 GLU HB3 . 36002 1 660 . 1 . 1 93 93 GLU CA C 13 59.083 0.3 . 1 . . . . A 93 GLU CA . 36002 1 661 . 1 . 1 93 93 GLU CB C 13 29.537 0.3 . 1 . . . . A 93 GLU CB . 36002 1 662 . 1 . 1 93 93 GLU N N 15 115.701 0.3 . 1 . . . . A 93 GLU N . 36002 1 663 . 1 . 1 94 94 VAL H H 1 7.397 0.02 . 1 . . . . A 94 VAL H . 36002 1 664 . 1 . 1 94 94 VAL HA H 1 3.421 0.02 . 1 . . . . A 94 VAL HA . 36002 1 665 . 1 . 1 94 94 VAL HB H 1 1.796 0.02 . 1 . . . . A 94 VAL HB . 36002 1 666 . 1 . 1 94 94 VAL CA C 13 65.602 0.3 . 1 . . . . A 94 VAL CA . 36002 1 667 . 1 . 1 94 94 VAL CB C 13 31.158 0.3 . 1 . . . . A 94 VAL CB . 36002 1 668 . 1 . 1 94 94 VAL N N 15 118.546 0.3 . 1 . . . . A 94 VAL N . 36002 1 669 . 1 . 1 95 95 PHE H H 1 7.217 0.02 . 1 . . . . A 95 PHE H . 36002 1 670 . 1 . 1 95 95 PHE HA H 1 4.416 0.02 . 1 . . . . A 95 PHE HA . 36002 1 671 . 1 . 1 95 95 PHE HB2 H 1 3.015 0.02 . 1 . . . . A 95 PHE HB2 . 36002 1 672 . 1 . 1 95 95 PHE HB3 H 1 3.015 0.02 . 1 . . . . A 95 PHE HB3 . 36002 1 673 . 1 . 1 95 95 PHE CA C 13 58.558 0.3 . 1 . . . . A 95 PHE CA . 36002 1 674 . 1 . 1 95 95 PHE CB C 13 39.168 0.3 . 1 . . . . A 95 PHE CB . 36002 1 675 . 1 . 1 95 95 PHE N N 15 116.937 0.3 . 1 . . . . A 95 PHE N . 36002 1 676 . 1 . 1 96 96 ASP H H 1 7.848 0.02 . 1 . . . . A 96 ASP H . 36002 1 677 . 1 . 1 96 96 ASP CA C 13 52.243 0.3 . 1 . . . . A 96 ASP CA . 36002 1 678 . 1 . 1 96 96 ASP CB C 13 38.825 0.3 . 1 . . . . A 96 ASP CB . 36002 1 679 . 1 . 1 96 96 ASP N N 15 120.48 0.3 . 1 . . . . A 96 ASP N . 36002 1 680 . 1 . 1 97 97 GLN H H 1 7.966 0.02 . 1 . . . . A 97 GLN H . 36002 1 681 . 1 . 1 97 97 GLN HA H 1 3.928 0.02 . 1 . . . . A 97 GLN HA . 36002 1 682 . 1 . 1 97 97 GLN HB2 H 1 2.048 0.02 . 1 . . . . A 97 GLN HB2 . 36002 1 683 . 1 . 1 97 97 GLN HB3 H 1 2.048 0.02 . 1 . . . . A 97 GLN HB3 . 36002 1 684 . 1 . 1 97 97 GLN CA C 13 59.187 0.3 . 1 . . . . A 97 GLN CA . 36002 1 685 . 1 . 1 97 97 GLN CB C 13 28.584 0.3 . 1 . . . . A 97 GLN CB . 36002 1 686 . 1 . 1 97 97 GLN N N 15 122.777 0.3 . 1 . . . . A 97 GLN N . 36002 1 687 . 1 . 1 98 98 ASP H H 1 8.32 0.02 . 1 . . . . A 98 ASP H . 36002 1 688 . 1 . 1 98 98 ASP HA H 1 3.898 0.02 . 1 . . . . A 98 ASP HA . 36002 1 689 . 1 . 1 98 98 ASP CA C 13 60.026 0.3 . 1 . . . . A 98 ASP CA . 36002 1 690 . 1 . 1 98 98 ASP N N 15 118.295 0.3 . 1 . . . . A 98 ASP N . 36002 1 691 . 1 . 1 99 99 LYS H H 1 7.727 0.02 . 1 . . . . A 99 LYS H . 36002 1 692 . 1 . 1 99 99 LYS CA C 13 56.559 0.3 . 1 . . . . A 99 LYS CA . 36002 1 693 . 1 . 1 99 99 LYS CB C 13 29.346 0.3 . 1 . . . . A 99 LYS CB . 36002 1 694 . 1 . 1 99 99 LYS N N 15 119.88 0.3 . 1 . . . . A 99 LYS N . 36002 1 695 . 1 . 1 100 100 ASP H H 1 8.242 0.02 . 1 . . . . A 100 ASP H . 36002 1 696 . 1 . 1 100 100 ASP HA H 1 4.7 0.02 . 1 . . . . A 100 ASP HA . 36002 1 697 . 1 . 1 100 100 ASP HB2 H 1 2.995 0.02 . 2 . . . . A 100 ASP HB2 . 36002 1 698 . 1 . 1 100 100 ASP HB3 H 1 2.995 0.02 . 2 . . . . A 100 ASP HB3 . 36002 1 699 . 1 . 1 100 100 ASP CA C 13 53.072 0.3 . 1 . . . . A 100 ASP CA . 36002 1 700 . 1 . 1 100 100 ASP CB C 13 40.787 0.3 . 1 . . . . A 100 ASP CB . 36002 1 701 . 1 . 1 100 100 ASP N N 15 118.435 0.3 . 1 . . . . A 100 ASP N . 36002 1 702 . 1 . 1 101 101 GLY H H 1 10.418 0.02 . 1 . . . . A 101 GLY H . 36002 1 703 . 1 . 1 101 101 GLY HA2 H 1 3.645 0.02 . 1 . . . . A 101 GLY HA2 . 36002 1 704 . 1 . 1 101 101 GLY HA3 H 1 3.645 0.02 . 1 . . . . A 101 GLY HA3 . 36002 1 705 . 1 . 1 101 101 GLY CA C 13 45.748 0.3 . 1 . . . . A 101 GLY CA . 36002 1 706 . 1 . 1 101 101 GLY N N 15 112.415 0.3 . 1 . . . . A 101 GLY N . 36002 1 707 . 1 . 1 102 102 LYS H H 1 7.81 0.02 . 1 . . . . A 102 LYS H . 36002 1 708 . 1 . 1 102 102 LYS HA H 1 5.329 0.02 . 1 . . . . A 102 LYS HA . 36002 1 709 . 1 . 1 102 102 LYS HB2 H 1 1.422 0.02 . 1 . . . . A 102 LYS HB2 . 36002 1 710 . 1 . 1 102 102 LYS HB3 H 1 1.422 0.02 . 1 . . . . A 102 LYS HB3 . 36002 1 711 . 1 . 1 102 102 LYS HE2 H 1 2.893 0.02 . 1 . . . . A 102 LYS HE2 . 36002 1 712 . 1 . 1 102 102 LYS HE3 H 1 2.893 0.02 . 1 . . . . A 102 LYS HE3 . 36002 1 713 . 1 . 1 102 102 LYS CA C 13 54.172 0.3 . 1 . . . . A 102 LYS CA . 36002 1 714 . 1 . 1 102 102 LYS CB C 13 36.308 0.3 . 1 . . . . A 102 LYS CB . 36002 1 715 . 1 . 1 102 102 LYS CE C 13 41.758 0.3 . 1 . . . . A 102 LYS CE . 36002 1 716 . 1 . 1 102 102 LYS N N 15 117.414 0.3 . 1 . . . . A 102 LYS N . 36002 1 717 . 1 . 1 103 103 ILE H H 1 9.159 0.02 . 1 . . . . A 103 ILE H . 36002 1 718 . 1 . 1 103 103 ILE HA H 1 4.649 0.02 . 1 . . . . A 103 ILE HA . 36002 1 719 . 1 . 1 103 103 ILE HB H 1 1.695 0.02 . 1 . . . . A 103 ILE HB . 36002 1 720 . 1 . 1 103 103 ILE CA C 13 58.999 0.3 . 1 . . . . A 103 ILE CA . 36002 1 721 . 1 . 1 103 103 ILE N N 15 118.981 0.3 . 1 . . . . A 103 ILE N . 36002 1 722 . 1 . 1 104 104 LYS H H 1 8.696 0.02 . 1 . . . . A 104 LYS H . 36002 1 723 . 1 . 1 104 104 LYS HA H 1 4.62 0.02 . 1 . . . . A 104 LYS HA . 36002 1 724 . 1 . 1 104 104 LYS HB2 H 1 1.918 0.02 . 1 . . . . A 104 LYS HB2 . 36002 1 725 . 1 . 1 104 104 LYS HB3 H 1 1.918 0.02 . 1 . . . . A 104 LYS HB3 . 36002 1 726 . 1 . 1 104 104 LYS CA C 13 55.354 0.3 . 1 . . . . A 104 LYS CA . 36002 1 727 . 1 . 1 104 104 LYS CB C 13 32.207 0.3 . 1 . . . . A 104 LYS CB . 36002 1 728 . 1 . 1 104 104 LYS N N 15 122.532 0.3 . 1 . . . . A 104 LYS N . 36002 1 729 . 1 . 1 105 105 ALA H H 1 8.889 0.02 . 1 . . . . A 105 ALA H . 36002 1 730 . 1 . 1 105 105 ALA HA H 1 3.742 0.02 . 1 . . . . A 105 ALA HA . 36002 1 731 . 1 . 1 105 105 ALA HB1 H 1 1.289 0.02 . 1 . . . . A 105 ALA HB1 . 36002 1 732 . 1 . 1 105 105 ALA HB2 H 1 1.289 0.02 . 1 . . . . A 105 ALA HB2 . 36002 1 733 . 1 . 1 105 105 ALA HB3 H 1 1.289 0.02 . 1 . . . . A 105 ALA HB3 . 36002 1 734 . 1 . 1 105 105 ALA CA C 13 55.915 0.3 . 1 . . . . A 105 ALA CA . 36002 1 735 . 1 . 1 105 105 ALA CB C 13 18.38 0.3 . 1 . . . . A 105 ALA CB . 36002 1 736 . 1 . 1 105 105 ALA N N 15 128.475 0.3 . 1 . . . . A 105 ALA N . 36002 1 737 . 1 . 1 106 106 SER H H 1 8.265 0.02 . 1 . . . . A 106 SER H . 36002 1 738 . 1 . 1 106 106 SER HA H 1 4.142 0.02 . 1 . . . . A 106 SER HA . 36002 1 739 . 1 . 1 106 106 SER HB2 H 1 3.894 0.02 . 1 . . . . A 106 SER HB2 . 36002 1 740 . 1 . 1 106 106 SER HB3 H 1 3.894 0.02 . 1 . . . . A 106 SER HB3 . 36002 1 741 . 1 . 1 106 106 SER CA C 13 61.021 0.3 . 1 . . . . A 106 SER CA . 36002 1 742 . 1 . 1 106 106 SER CB C 13 63.58 0.3 . 1 . . . . A 106 SER CB . 36002 1 743 . 1 . 1 106 106 SER N N 15 110.473 0.3 . 1 . . . . A 106 SER N . 36002 1 744 . 1 . 1 107 107 ASP H H 1 7.175 0.02 . 1 . . . . A 107 ASP H . 36002 1 745 . 1 . 1 107 107 ASP HA H 1 4.487 0.02 . 1 . . . . A 107 ASP HA . 36002 1 746 . 1 . 1 107 107 ASP HB2 H 1 2.751 0.02 . 2 . . . . A 107 ASP HB2 . 36002 1 747 . 1 . 1 107 107 ASP HB3 H 1 2.477 0.02 . 2 . . . . A 107 ASP HB3 . 36002 1 748 . 1 . 1 107 107 ASP CA C 13 57.148 0.3 . 1 . . . . A 107 ASP CA . 36002 1 749 . 1 . 1 107 107 ASP CB C 13 39.836 0.3 . 1 . . . . A 107 ASP CB . 36002 1 750 . 1 . 1 107 107 ASP N N 15 123.57 0.3 . 1 . . . . A 107 ASP N . 36002 1 751 . 1 . 1 108 108 LEU H H 1 7.301 0.02 . 1 . . . . A 108 LEU H . 36002 1 752 . 1 . 1 108 108 LEU HB2 H 1 1.398 0.02 . 1 . . . . A 108 LEU HB2 . 36002 1 753 . 1 . 1 108 108 LEU HB3 H 1 1.398 0.02 . 1 . . . . A 108 LEU HB3 . 36002 1 754 . 1 . 1 108 108 LEU CA C 13 54.974 0.3 . 1 . . . . A 108 LEU CA . 36002 1 755 . 1 . 1 108 108 LEU CB C 13 41.648 0.3 . 1 . . . . A 108 LEU CB . 36002 1 756 . 1 . 1 108 108 LEU N N 15 120.645 0.3 . 1 . . . . A 108 LEU N . 36002 1 757 . 1 . 1 109 109 ALA H H 1 8.647 0.02 . 1 . . . . A 109 ALA H . 36002 1 758 . 1 . 1 109 109 ALA HA H 1 3.801 0.02 . 1 . . . . A 109 ALA HA . 36002 1 759 . 1 . 1 109 109 ALA HB1 H 1 1.309 0.02 . 1 . . . . A 109 ALA HB1 . 36002 1 760 . 1 . 1 109 109 ALA HB2 H 1 1.309 0.02 . 1 . . . . A 109 ALA HB2 . 36002 1 761 . 1 . 1 109 109 ALA HB3 H 1 1.309 0.02 . 1 . . . . A 109 ALA HB3 . 36002 1 762 . 1 . 1 109 109 ALA CA C 13 55.41 0.3 . 1 . . . . A 109 ALA CA . 36002 1 763 . 1 . 1 109 109 ALA CB C 13 17.999 0.3 . 1 . . . . A 109 ALA CB . 36002 1 764 . 1 . 1 109 109 ALA N N 15 119.668 0.3 . 1 . . . . A 109 ALA N . 36002 1 765 . 1 . 1 110 110 HIS H H 1 7.893 0.02 . 1 . . . . A 110 HIS H . 36002 1 766 . 1 . 1 110 110 HIS HA H 1 4.243 0.02 . 1 . . . . A 110 HIS HA . 36002 1 767 . 1 . 1 110 110 HIS HB2 H 1 3.157 0.02 . 1 . . . . A 110 HIS HB2 . 36002 1 768 . 1 . 1 110 110 HIS HB3 H 1 3.157 0.02 . 1 . . . . A 110 HIS HB3 . 36002 1 769 . 1 . 1 110 110 HIS CA C 13 58.873 0.3 . 1 . . . . A 110 HIS CA . 36002 1 770 . 1 . 1 110 110 HIS CB C 13 28.015 0.3 . 1 . . . . A 110 HIS CB . 36002 1 771 . 1 . 1 110 110 HIS N N 15 115.365 0.3 . 1 . . . . A 110 HIS N . 36002 1 772 . 1 . 1 111 111 ASN H H 1 8.12 0.02 . 1 . . . . A 111 ASN H . 36002 1 773 . 1 . 1 111 111 ASN HA H 1 3.939 0.02 . 1 . . . . A 111 ASN HA . 36002 1 774 . 1 . 1 111 111 ASN CB C 13 39.452 0.3 . 1 . . . . A 111 ASN CB . 36002 1 775 . 1 . 1 111 111 ASN N N 15 118.965 0.3 . 1 . . . . A 111 ASN N . 36002 1 776 . 1 . 1 112 112 LEU H H 1 8.44 0.02 . 1 . . . . A 112 LEU H . 36002 1 777 . 1 . 1 112 112 LEU CA C 13 57.278 0.3 . 1 . . . . A 112 LEU CA . 36002 1 778 . 1 . 1 112 112 LEU CB C 13 42.315 0.3 . 1 . . . . A 112 LEU CB . 36002 1 779 . 1 . 1 112 112 LEU N N 15 118.204 0.3 . 1 . . . . A 112 LEU N . 36002 1 780 . 1 . 1 113 113 THR H H 1 7.623 0.02 . 1 . . . . A 113 THR H . 36002 1 781 . 1 . 1 113 113 THR HA H 1 4.731 0.02 . 1 . . . . A 113 THR HA . 36002 1 782 . 1 . 1 113 113 THR HB H 1 4.288 0.02 . 1 . . . . A 113 THR HB . 36002 1 783 . 1 . 1 113 113 THR HG21 H 1 1.041 0.02 . 1 . . . . A 113 THR HG21 . 36002 1 784 . 1 . 1 113 113 THR HG22 H 1 1.041 0.02 . 1 . . . . A 113 THR HG22 . 36002 1 785 . 1 . 1 113 113 THR HG23 H 1 1.041 0.02 . 1 . . . . A 113 THR HG23 . 36002 1 786 . 1 . 1 113 113 THR CA C 13 62.119 0.3 . 1 . . . . A 113 THR CA . 36002 1 787 . 1 . 1 113 113 THR CB C 13 70.16 0.3 . 1 . . . . A 113 THR CB . 36002 1 788 . 1 . 1 113 113 THR CG2 C 13 20.893 0.3 . 1 . . . . A 113 THR CG2 . 36002 1 789 . 1 . 1 113 113 THR N N 15 105.237 0.3 . 1 . . . . A 113 THR N . 36002 1 790 . 1 . 1 114 114 THR H H 1 7.511 0.02 . 1 . . . . A 114 THR H . 36002 1 791 . 1 . 1 114 114 THR HA H 1 4.365 0.02 . 1 . . . . A 114 THR HA . 36002 1 792 . 1 . 1 114 114 THR CA C 13 63.426 0.3 . 1 . . . . A 114 THR CA . 36002 1 793 . 1 . 1 114 114 THR CB C 13 70.827 0.3 . 1 . . . . A 114 THR CB . 36002 1 794 . 1 . 1 114 114 THR N N 15 111.42 0.3 . 1 . . . . A 114 THR N . 36002 1 795 . 1 . 1 115 115 VAL H H 1 7.765 0.02 . 1 . . . . A 115 VAL H . 36002 1 796 . 1 . 1 115 115 VAL HA H 1 4.229 0.02 . 1 . . . . A 115 VAL HA . 36002 1 797 . 1 . 1 115 115 VAL HB H 1 2.124 0.02 . 1 . . . . A 115 VAL HB . 36002 1 798 . 1 . 1 115 115 VAL HG11 H 1 0.888 0.02 . 1 . . . . A 115 VAL HG11 . 36002 1 799 . 1 . 1 115 115 VAL HG12 H 1 0.888 0.02 . 1 . . . . A 115 VAL HG12 . 36002 1 800 . 1 . 1 115 115 VAL HG13 H 1 0.888 0.02 . 1 . . . . A 115 VAL HG13 . 36002 1 801 . 1 . 1 115 115 VAL CA C 13 61.862 0.3 . 1 . . . . A 115 VAL CA . 36002 1 802 . 1 . 1 115 115 VAL CB C 13 33.447 0.3 . 1 . . . . A 115 VAL CB . 36002 1 803 . 1 . 1 115 115 VAL CG1 C 13 23.303 0.3 . 1 . . . . A 115 VAL CG1 . 36002 1 804 . 1 . 1 115 115 VAL N N 15 119.88 0.3 . 1 . . . . A 115 VAL N . 36002 1 805 . 1 . 1 116 116 GLY H H 1 8.256 0.02 . 1 . . . . A 116 GLY H . 36002 1 806 . 1 . 1 116 116 GLY HA2 H 1 3.746 0.02 . 1 . . . . A 116 GLY HA2 . 36002 1 807 . 1 . 1 116 116 GLY HA3 H 1 3.746 0.02 . 1 . . . . A 116 GLY HA3 . 36002 1 808 . 1 . 1 116 116 GLY CA C 13 46.003 0.3 . 1 . . . . A 116 GLY CA . 36002 1 809 . 1 . 1 116 116 GLY N N 15 110.787 0.3 . 1 . . . . A 116 GLY N . 36002 1 810 . 1 . 1 117 117 ASP H H 1 8.432 0.02 . 1 . . . . A 117 ASP H . 36002 1 811 . 1 . 1 117 117 ASP HA H 1 4.548 0.02 . 1 . . . . A 117 ASP HA . 36002 1 812 . 1 . 1 117 117 ASP CA C 13 53.996 0.3 . 1 . . . . A 117 ASP CA . 36002 1 813 . 1 . 1 117 117 ASP CB C 13 40.112 0.3 . 1 . . . . A 117 ASP CB . 36002 1 814 . 1 . 1 117 117 ASP N N 15 124.418 0.3 . 1 . . . . A 117 ASP N . 36002 1 815 . 1 . 1 118 118 LYS H H 1 7.886 0.02 . 1 . . . . A 118 LYS H . 36002 1 816 . 1 . 1 118 118 LYS HA H 1 4.568 0.02 . 1 . . . . A 118 LYS HA . 36002 1 817 . 1 . 1 118 118 LYS CA C 13 57.362 0.3 . 1 . . . . A 118 LYS CA . 36002 1 818 . 1 . 1 118 118 LYS N N 15 119.75 0.3 . 1 . . . . A 118 LYS N . 36002 1 819 . 1 . 1 119 119 MET H H 1 7.923 0.02 . 1 . . . . A 119 MET H . 36002 1 820 . 1 . 1 119 119 MET HA H 1 4.527 0.02 . 1 . . . . A 119 MET HA . 36002 1 821 . 1 . 1 119 119 MET CA C 13 54.635 0.3 . 1 . . . . A 119 MET CA . 36002 1 822 . 1 . 1 119 119 MET CB C 13 35.069 0.3 . 1 . . . . A 119 MET CB . 36002 1 823 . 1 . 1 119 119 MET N N 15 120.078 0.3 . 1 . . . . A 119 MET N . 36002 1 824 . 1 . 1 120 120 THR H H 1 8.642 0.02 . 1 . . . . A 120 THR H . 36002 1 825 . 1 . 1 120 120 THR HA H 1 4.436 0.02 . 1 . . . . A 120 THR HA . 36002 1 826 . 1 . 1 120 120 THR HB H 1 4.608 0.02 . 1 . . . . A 120 THR HB . 36002 1 827 . 1 . 1 120 120 THR HG21 H 1 1.27 0.02 . 1 . . . . A 120 THR HG21 . 36002 1 828 . 1 . 1 120 120 THR HG22 H 1 1.27 0.02 . 1 . . . . A 120 THR HG22 . 36002 1 829 . 1 . 1 120 120 THR HG23 H 1 1.27 0.02 . 1 . . . . A 120 THR HG23 . 36002 1 830 . 1 . 1 120 120 THR CA C 13 60.534 0.3 . 1 . . . . A 120 THR CA . 36002 1 831 . 1 . 1 120 120 THR CB C 13 71.018 0.3 . 1 . . . . A 120 THR CB . 36002 1 832 . 1 . 1 120 120 THR CG2 C 13 21.687 0.3 . 1 . . . . A 120 THR CG2 . 36002 1 833 . 1 . 1 120 120 THR N N 15 111.735 0.3 . 1 . . . . A 120 THR N . 36002 1 834 . 1 . 1 121 121 LYS H H 1 8.835 0.02 . 1 . . . . A 121 LYS H . 36002 1 835 . 1 . 1 121 121 LYS HB2 H 1 1.736 0.02 . 1 . . . . A 121 LYS HB2 . 36002 1 836 . 1 . 1 121 121 LYS HB3 H 1 1.736 0.02 . 1 . . . . A 121 LYS HB3 . 36002 1 837 . 1 . 1 121 121 LYS CA C 13 59.824 0.3 . 1 . . . . A 121 LYS CA . 36002 1 838 . 1 . 1 121 121 LYS CB C 13 31.954 0.3 . 1 . . . . A 121 LYS CB . 36002 1 839 . 1 . 1 121 121 LYS N N 15 121.689 0.3 . 1 . . . . A 121 LYS N . 36002 1 840 . 1 . 1 122 122 GLU H H 1 8.68 0.02 . 1 . . . . A 122 GLU H . 36002 1 841 . 1 . 1 122 122 GLU HA H 1 3.918 0.02 . 1 . . . . A 122 GLU HA . 36002 1 842 . 1 . 1 122 122 GLU HB2 H 1 1.837 0.02 . 2 . . . . A 122 GLU HB2 . 36002 1 843 . 1 . 1 122 122 GLU HB3 H 1 1.837 0.02 . 2 . . . . A 122 GLU HB3 . 36002 1 844 . 1 . 1 122 122 GLU HG2 H 1 2.231 0.02 . 2 . . . . A 122 GLU HG2 . 36002 1 845 . 1 . 1 122 122 GLU HG3 H 1 2.322 0.02 . 2 . . . . A 122 GLU HG3 . 36002 1 846 . 1 . 1 122 122 GLU CA C 13 60.11 0.3 . 1 . . . . A 122 GLU CA . 36002 1 847 . 1 . 1 122 122 GLU CB C 13 28.688 0.3 . 1 . . . . A 122 GLU CB . 36002 1 848 . 1 . 1 122 122 GLU CG C 13 36.506 0.3 . 1 . . . . A 122 GLU CG . 36002 1 849 . 1 . 1 122 122 GLU N N 15 117.545 0.3 . 1 . . . . A 122 GLU N . 36002 1 850 . 1 . 1 123 123 GLU H H 1 7.723 0.02 . 1 . . . . A 123 GLU H . 36002 1 851 . 1 . 1 123 123 GLU HA H 1 3.867 0.02 . 1 . . . . A 123 GLU HA . 36002 1 852 . 1 . 1 123 123 GLU HB2 H 1 1.847 0.02 . 1 . . . . A 123 GLU HB2 . 36002 1 853 . 1 . 1 123 123 GLU HB3 H 1 1.847 0.02 . 1 . . . . A 123 GLU HB3 . 36002 1 854 . 1 . 1 123 123 GLU CA C 13 59.245 0.3 . 1 . . . . A 123 GLU CA . 36002 1 855 . 1 . 1 123 123 GLU CB C 13 29.633 0.3 . 1 . . . . A 123 GLU CB . 36002 1 856 . 1 . 1 123 123 GLU N N 15 120.349 0.3 . 1 . . . . A 123 GLU N . 36002 1 857 . 1 . 1 124 124 VAL H H 1 7.675 0.02 . 1 . . . . A 124 VAL H . 36002 1 858 . 1 . 1 124 124 VAL CA C 13 66.671 0.3 . 1 . . . . A 124 VAL CA . 36002 1 859 . 1 . 1 124 124 VAL CB C 13 30.681 0.3 . 1 . . . . A 124 VAL CB . 36002 1 860 . 1 . 1 124 124 VAL N N 15 119.398 0.3 . 1 . . . . A 124 VAL N . 36002 1 861 . 1 . 1 125 125 GLU H H 1 8.197 0.02 . 1 . . . . A 125 GLU H . 36002 1 862 . 1 . 1 125 125 GLU HA H 1 3.553 0.02 . 1 . . . . A 125 GLU HA . 36002 1 863 . 1 . 1 125 125 GLU HB2 H 1 1.908 0.02 . 1 . . . . A 125 GLU HB2 . 36002 1 864 . 1 . 1 125 125 GLU HB3 H 1 1.908 0.02 . 1 . . . . A 125 GLU HB3 . 36002 1 865 . 1 . 1 125 125 GLU HG2 H 1 2.307 0.02 . 1 . . . . A 125 GLU HG2 . 36002 1 866 . 1 . 1 125 125 GLU HG3 H 1 2.307 0.02 . 1 . . . . A 125 GLU HG3 . 36002 1 867 . 1 . 1 125 125 GLU CA C 13 59.852 0.3 . 1 . . . . A 125 GLU CA . 36002 1 868 . 1 . 1 125 125 GLU CB C 13 28.969 0.3 . 1 . . . . A 125 GLU CB . 36002 1 869 . 1 . 1 125 125 GLU CG C 13 36.443 0.3 . 1 . . . . A 125 GLU CG . 36002 1 870 . 1 . 1 125 125 GLU N N 15 117.803 0.3 . 1 . . . . A 125 GLU N . 36002 1 871 . 1 . 1 126 126 LYS H H 1 7.73 0.02 . 1 . . . . A 126 LYS H . 36002 1 872 . 1 . 1 126 126 LYS HA H 1 3.959 0.02 . 1 . . . . A 126 LYS HA . 36002 1 873 . 1 . 1 126 126 LYS CA C 13 59.288 0.3 . 1 . . . . A 126 LYS CA . 36002 1 874 . 1 . 1 126 126 LYS CB C 13 31.921 0.3 . 1 . . . . A 126 LYS CB . 36002 1 875 . 1 . 1 126 126 LYS N N 15 119.859 0.3 . 1 . . . . A 126 LYS N . 36002 1 876 . 1 . 1 127 127 VAL H H 1 7.574 0.02 . 1 . . . . A 127 VAL H . 36002 1 877 . 1 . 1 127 127 VAL HA H 1 3.614 0.02 . 1 . . . . A 127 VAL HA . 36002 1 878 . 1 . 1 127 127 VAL HB H 1 2.02 0.02 . 1 . . . . A 127 VAL HB . 36002 1 879 . 1 . 1 127 127 VAL HG11 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG11 . 36002 1 880 . 1 . 1 127 127 VAL HG12 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG12 . 36002 1 881 . 1 . 1 127 127 VAL HG13 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG13 . 36002 1 882 . 1 . 1 127 127 VAL HG21 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG21 . 36002 1 883 . 1 . 1 127 127 VAL HG22 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG22 . 36002 1 884 . 1 . 1 127 127 VAL HG23 H 1 0.858 0.02 . 1 . . . . A 127 VAL HG23 . 36002 1 885 . 1 . 1 127 127 VAL CA C 13 66.461 0.3 . 1 . . . . A 127 VAL CA . 36002 1 886 . 1 . 1 127 127 VAL CB C 13 31.063 0.3 . 1 . . . . A 127 VAL CB . 36002 1 887 . 1 . 1 127 127 VAL CG1 C 13 23.226 0.3 . 1 . . . . A 127 VAL CG1 . 36002 1 888 . 1 . 1 127 127 VAL N N 15 119.062 0.3 . 1 . . . . A 127 VAL N . 36002 1 889 . 1 . 1 128 128 PHE H H 1 8.846 0.02 . 1 . . . . A 128 PHE H . 36002 1 890 . 1 . 1 128 128 PHE HA H 1 4.091 0.02 . 1 . . . . A 128 PHE HA . 36002 1 891 . 1 . 1 128 128 PHE HB2 H 1 3.279 0.02 . 1 . . . . A 128 PHE HB2 . 36002 1 892 . 1 . 1 128 128 PHE HB3 H 1 3.279 0.02 . 1 . . . . A 128 PHE HB3 . 36002 1 893 . 1 . 1 128 128 PHE CA C 13 58.922 0.3 . 1 . . . . A 128 PHE CA . 36002 1 894 . 1 . 1 128 128 PHE CB C 13 35.53 0.3 . 1 . . . . A 128 PHE CB . 36002 1 895 . 1 . 1 128 128 PHE N N 15 119.754 0.3 . 1 . . . . A 128 PHE N . 36002 1 896 . 1 . 1 129 129 SER H H 1 8.107 0.02 . 1 . . . . A 129 SER H . 36002 1 897 . 1 . 1 129 129 SER HA H 1 4.274 0.02 . 1 . . . . A 129 SER HA . 36002 1 898 . 1 . 1 129 129 SER HB2 H 1 4.04 0.02 . 1 . . . . A 129 SER HB2 . 36002 1 899 . 1 . 1 129 129 SER HB3 H 1 4.04 0.02 . 1 . . . . A 129 SER HB3 . 36002 1 900 . 1 . 1 129 129 SER CA C 13 61.707 0.3 . 1 . . . . A 129 SER CA . 36002 1 901 . 1 . 1 129 129 SER CB C 13 62.527 0.3 . 1 . . . . A 129 SER CB . 36002 1 902 . 1 . 1 129 129 SER N N 15 113.698 0.3 . 1 . . . . A 129 SER N . 36002 1 903 . 1 . 1 130 130 ILE H H 1 7.751 0.02 . 1 . . . . A 130 ILE H . 36002 1 904 . 1 . 1 130 130 ILE HA H 1 3.695 0.02 . 1 . . . . A 130 ILE HA . 36002 1 905 . 1 . 1 130 130 ILE HB H 1 1.959 0.02 . 1 . . . . A 130 ILE HB . 36002 1 906 . 1 . 1 130 130 ILE CA C 13 65.025 0.3 . 1 . . . . A 130 ILE CA . 36002 1 907 . 1 . 1 130 130 ILE CB C 13 37.736 0.3 . 1 . . . . A 130 ILE CB . 36002 1 908 . 1 . 1 130 130 ILE N N 15 123.919 0.3 . 1 . . . . A 130 ILE N . 36002 1 909 . 1 . 1 131 131 LEU H H 1 7.256 0.02 . 1 . . . . A 131 LEU H . 36002 1 910 . 1 . 1 131 131 LEU HA H 1 4.324 0.02 . 1 . . . . A 131 LEU HA . 36002 1 911 . 1 . 1 131 131 LEU HB2 H 1 1.634 0.02 . 1 . . . . A 131 LEU HB2 . 36002 1 912 . 1 . 1 131 131 LEU HB3 H 1 1.634 0.02 . 1 . . . . A 131 LEU HB3 . 36002 1 913 . 1 . 1 131 131 LEU HD11 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD11 . 36002 1 914 . 1 . 1 131 131 LEU HD12 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD12 . 36002 1 915 . 1 . 1 131 131 LEU HD13 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD13 . 36002 1 916 . 1 . 1 131 131 LEU HD21 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD21 . 36002 1 917 . 1 . 1 131 131 LEU HD22 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD22 . 36002 1 918 . 1 . 1 131 131 LEU HD23 H 1 0.811 0.02 . 1 . . . . A 131 LEU HD23 . 36002 1 919 . 1 . 1 131 131 LEU CA C 13 54.376 0.3 . 1 . . . . A 131 LEU CA . 36002 1 920 . 1 . 1 131 131 LEU CB C 13 43.078 0.3 . 1 . . . . A 131 LEU CB . 36002 1 921 . 1 . 1 131 131 LEU CD1 C 13 22.817 0.3 . 1 . . . . A 131 LEU CD1 . 36002 1 922 . 1 . 1 131 131 LEU CD2 C 13 25.646 0.3 . 1 . . . . A 131 LEU CD2 . 36002 1 923 . 1 . 1 131 131 LEU N N 15 116.776 0.3 . 1 . . . . A 131 LEU N . 36002 1 924 . 1 . 1 132 132 GLY H H 1 7.882 0.02 . 1 . . . . A 132 GLY H . 36002 1 925 . 1 . 1 132 132 GLY HA2 H 1 3.807 0.02 . 2 . . . . A 132 GLY HA2 . 36002 1 926 . 1 . 1 132 132 GLY HA3 H 1 3.918 0.02 . 2 . . . . A 132 GLY HA3 . 36002 1 927 . 1 . 1 132 132 GLY CA C 13 46.209 0.3 . 1 . . . . A 132 GLY CA . 36002 1 928 . 1 . 1 132 132 GLY N N 15 108.826 0.3 . 1 . . . . A 132 GLY N . 36002 1 929 . 1 . 1 133 133 ILE H H 1 7.844 0.02 . 1 . . . . A 133 ILE H . 36002 1 930 . 1 . 1 133 133 ILE HA H 1 4.099 0.02 . 1 . . . . A 133 ILE HA . 36002 1 931 . 1 . 1 133 133 ILE HB H 1 2.505 0.02 . 1 . . . . A 133 ILE HB . 36002 1 932 . 1 . 1 133 133 ILE CA C 13 59.782 0.3 . 1 . . . . A 133 ILE CA . 36002 1 933 . 1 . 1 133 133 ILE CB C 13 39.547 0.3 . 1 . . . . A 133 ILE CB . 36002 1 934 . 1 . 1 133 133 ILE N N 15 118.238 0.3 . 1 . . . . A 133 ILE N . 36002 1 935 . 1 . 1 134 134 THR H H 1 8.353 0.02 . 1 . . . . A 134 THR H . 36002 1 936 . 1 . 1 134 134 THR HA H 1 4.761 0.02 . 1 . . . . A 134 THR HA . 36002 1 937 . 1 . 1 134 134 THR HB H 1 4.558 0.02 . 1 . . . . A 134 THR HB . 36002 1 938 . 1 . 1 134 134 THR HG21 H 1 1.071 0.02 . 1 . . . . A 134 THR HG21 . 36002 1 939 . 1 . 1 134 134 THR HG22 H 1 1.071 0.02 . 1 . . . . A 134 THR HG22 . 36002 1 940 . 1 . 1 134 134 THR HG23 H 1 1.071 0.02 . 1 . . . . A 134 THR HG23 . 36002 1 941 . 1 . 1 134 134 THR CA C 13 59.319 0.3 . 1 . . . . A 134 THR CA . 36002 1 942 . 1 . 1 134 134 THR CB C 13 71.686 0.3 . 1 . . . . A 134 THR CB . 36002 1 943 . 1 . 1 134 134 THR CG2 C 13 21.182 0.3 . 1 . . . . A 134 THR CG2 . 36002 1 944 . 1 . 1 134 134 THR N N 15 114.496 0.3 . 1 . . . . A 134 THR N . 36002 1 945 . 1 . 1 135 135 MET H H 1 8.739 0.02 . 1 . . . . A 135 MET H . 36002 1 946 . 1 . 1 135 135 MET HA H 1 4.761 0.02 . 1 . . . . A 135 MET HA . 36002 1 947 . 1 . 1 135 135 MET HB2 H 1 2.224 0.02 . 2 . . . . A 135 MET HB2 . 36002 1 948 . 1 . 1 135 135 MET HB3 H 1 1.979 0.02 . 2 . . . . A 135 MET HB3 . 36002 1 949 . 1 . 1 135 135 MET HG2 H 1 2.856 0.02 . 2 . . . . A 135 MET HG2 . 36002 1 950 . 1 . 1 135 135 MET HG3 H 1 2.673 0.02 . 2 . . . . A 135 MET HG3 . 36002 1 951 . 1 . 1 135 135 MET CA C 13 57.044 0.3 . 1 . . . . A 135 MET CA . 36002 1 952 . 1 . 1 135 135 MET CB C 13 31.73 0.3 . 1 . . . . A 135 MET CB . 36002 1 953 . 1 . 1 135 135 MET CG C 13 38.65 0.3 . 1 . . . . A 135 MET CG . 36002 1 954 . 1 . 1 135 135 MET N N 15 117.11 0.3 . 1 . . . . A 135 MET N . 36002 1 955 . 1 . 1 136 136 GLU H H 1 7.824 0.02 . 1 . . . . A 136 GLU H . 36002 1 956 . 1 . 1 136 136 GLU HA H 1 4.345 0.02 . 1 . . . . A 136 GLU HA . 36002 1 957 . 1 . 1 136 136 GLU HB2 H 1 2.152 0.02 . 1 . . . . A 136 GLU HB2 . 36002 1 958 . 1 . 1 136 136 GLU HB3 H 1 2.152 0.02 . 1 . . . . A 136 GLU HB3 . 36002 1 959 . 1 . 1 136 136 GLU HG2 H 1 1.742 0.02 . 1 . . . . A 136 GLU HG2 . 36002 1 960 . 1 . 1 136 136 GLU HG3 H 1 1.742 0.02 . 1 . . . . A 136 GLU HG3 . 36002 1 961 . 1 . 1 136 136 GLU CA C 13 56.009 0.3 . 1 . . . . A 136 GLU CA . 36002 1 962 . 1 . 1 136 136 GLU CB C 13 29.442 0.3 . 1 . . . . A 136 GLU CB . 36002 1 963 . 1 . 1 136 136 GLU N N 15 114.277 0.3 . 1 . . . . A 136 GLU N . 36002 1 964 . 1 . 1 137 137 SER H H 1 7.696 0.02 . 1 . . . . A 137 SER H . 36002 1 965 . 1 . 1 137 137 SER HA H 1 4.243 0.02 . 1 . . . . A 137 SER HA . 36002 1 966 . 1 . 1 137 137 SER HB2 H 1 3.867 0.02 . 1 . . . . A 137 SER HB2 . 36002 1 967 . 1 . 1 137 137 SER HB3 H 1 3.867 0.02 . 1 . . . . A 137 SER HB3 . 36002 1 968 . 1 . 1 137 137 SER CA C 13 60.452 0.3 . 1 . . . . A 137 SER CA . 36002 1 969 . 1 . 1 137 137 SER CB C 13 63.675 0.3 . 1 . . . . A 137 SER CB . 36002 1 970 . 1 . 1 137 137 SER N N 15 118.395 0.3 . 1 . . . . A 137 SER N . 36002 1 971 . 1 . 1 138 138 ASP H H 1 8.486 0.02 . 1 . . . . A 138 ASP H . 36002 1 972 . 1 . 1 138 138 ASP HA H 1 5.228 0.02 . 1 . . . . A 138 ASP HA . 36002 1 973 . 1 . 1 138 138 ASP HB2 H 1 2.233 0.02 . 1 . . . . A 138 ASP HB2 . 36002 1 974 . 1 . 1 138 138 ASP HB3 H 1 2.233 0.02 . 1 . . . . A 138 ASP HB3 . 36002 1 975 . 1 . 1 138 138 ASP CA C 13 53.546 0.3 . 1 . . . . A 138 ASP CA . 36002 1 976 . 1 . 1 138 138 ASP CB C 13 42.79 0.3 . 1 . . . . A 138 ASP CB . 36002 1 977 . 1 . 1 138 138 ASP N N 15 122.476 0.3 . 1 . . . . A 138 ASP N . 36002 1 978 . 1 . 1 139 139 ILE H H 1 9.516 0.02 . 1 . . . . A 139 ILE H . 36002 1 979 . 1 . 1 139 139 ILE HA H 1 4.534 0.02 . 1 . . . . A 139 ILE HA . 36002 1 980 . 1 . 1 139 139 ILE HB H 1 1.837 0.02 . 1 . . . . A 139 ILE HB . 36002 1 981 . 1 . 1 139 139 ILE HG12 H 1 0.926 0.02 . 1 . . . . A 139 ILE HG12 . 36002 1 982 . 1 . 1 139 139 ILE HG13 H 1 0.926 0.02 . 1 . . . . A 139 ILE HG13 . 36002 1 983 . 1 . 1 139 139 ILE HG21 H 1 0.902 0.02 . 1 . . . . A 139 ILE HG21 . 36002 1 984 . 1 . 1 139 139 ILE HG22 H 1 0.902 0.02 . 1 . . . . A 139 ILE HG22 . 36002 1 985 . 1 . 1 139 139 ILE HG23 H 1 0.902 0.02 . 1 . . . . A 139 ILE HG23 . 36002 1 986 . 1 . 1 139 139 ILE HD11 H 1 0.628 0.02 . 1 . . . . A 139 ILE HD11 . 36002 1 987 . 1 . 1 139 139 ILE HD12 H 1 0.628 0.02 . 1 . . . . A 139 ILE HD12 . 36002 1 988 . 1 . 1 139 139 ILE HD13 H 1 0.628 0.02 . 1 . . . . A 139 ILE HD13 . 36002 1 989 . 1 . 1 139 139 ILE CA C 13 60.086 0.3 . 1 . . . . A 139 ILE CA . 36002 1 990 . 1 . 1 139 139 ILE CB C 13 40.313 0.3 . 1 . . . . A 139 ILE CB . 36002 1 991 . 1 . 1 139 139 ILE CD1 C 13 13.901 0.3 . 1 . . . . A 139 ILE CD1 . 36002 1 992 . 1 . 1 139 139 ILE N N 15 120.043 0.3 . 1 . . . . A 139 ILE N . 36002 1 993 . 1 . 1 140 140 ASP H H 1 7.927 0.02 . 1 . . . . A 140 ASP H . 36002 1 994 . 1 . 1 140 140 ASP HA H 1 5.289 0.02 . 1 . . . . A 140 ASP HA . 36002 1 995 . 1 . 1 140 140 ASP HB2 H 1 3.197 0.02 . 2 . . . . A 140 ASP HB2 . 36002 1 996 . 1 . 1 140 140 ASP HB3 H 1 3.197 0.02 . 2 . . . . A 140 ASP HB3 . 36002 1 997 . 1 . 1 140 140 ASP CA C 13 51.4 0.3 . 1 . . . . A 140 ASP CA . 36002 1 998 . 1 . 1 140 140 ASP CB C 13 41.836 0.3 . 1 . . . . A 140 ASP CB . 36002 1 999 . 1 . 1 140 140 ASP N N 15 123.796 0.3 . 1 . . . . A 140 ASP N . 36002 1 1000 . 1 . 1 141 141 LEU H H 1 8.339 0.02 . 1 . . . . A 141 LEU H . 36002 1 1001 . 1 . 1 141 141 LEU CA C 13 51.408 0.3 . 1 . . . . A 141 LEU CA . 36002 1 1002 . 1 . 1 141 141 LEU CB C 13 40.694 0.3 . 1 . . . . A 141 LEU CB . 36002 1 1003 . 1 . 1 141 141 LEU N N 15 121.737 0.3 . 1 . . . . A 141 LEU N . 36002 1 1004 . 1 . 1 142 142 ALA H H 1 8.096 0.02 . 1 . . . . A 142 ALA H . 36002 1 1005 . 1 . 1 142 142 ALA HA H 1 3.847 0.02 . 1 . . . . A 142 ALA HA . 36002 1 1006 . 1 . 1 142 142 ALA HB1 H 1 1.34 0.02 . 1 . . . . A 142 ALA HB1 . 36002 1 1007 . 1 . 1 142 142 ALA HB2 H 1 1.34 0.02 . 1 . . . . A 142 ALA HB2 . 36002 1 1008 . 1 . 1 142 142 ALA HB3 H 1 1.34 0.02 . 1 . . . . A 142 ALA HB3 . 36002 1 1009 . 1 . 1 142 142 ALA CA C 13 55.349 0.3 . 1 . . . . A 142 ALA CA . 36002 1 1010 . 1 . 1 142 142 ALA CB C 13 17.713 0.3 . 1 . . . . A 142 ALA CB . 36002 1 1011 . 1 . 1 142 142 ALA N N 15 119.217 0.3 . 1 . . . . A 142 ALA N . 36002 1 1012 . 1 . 1 143 143 THR H H 1 8.307 0.02 . 1 . . . . A 143 THR H . 36002 1 1013 . 1 . 1 143 143 THR HA H 1 3.766 0.02 . 1 . . . . A 143 THR HA . 36002 1 1014 . 1 . 1 143 143 THR HB H 1 3.827 0.02 . 1 . . . . A 143 THR HB . 36002 1 1015 . 1 . 1 143 143 THR CA C 13 67.136 0.3 . 1 . . . . A 143 THR CA . 36002 1 1016 . 1 . 1 143 143 THR CB C 13 67.967 0.3 . 1 . . . . A 143 THR CB . 36002 1 1017 . 1 . 1 143 143 THR N N 15 116.001 0.3 . 1 . . . . A 143 THR N . 36002 1 1018 . 1 . 1 144 144 PHE H H 1 8.846 0.02 . 1 . . . . A 144 PHE H . 36002 1 1019 . 1 . 1 144 144 PHE HA H 1 3.949 0.02 . 1 . . . . A 144 PHE HA . 36002 1 1020 . 1 . 1 144 144 PHE HB2 H 1 3.91 0.02 . 1 . . . . A 144 PHE HB2 . 36002 1 1021 . 1 . 1 144 144 PHE HB3 H 1 3.91 0.02 . 1 . . . . A 144 PHE HB3 . 36002 1 1022 . 1 . 1 144 144 PHE CA C 13 61.944 0.3 . 1 . . . . A 144 PHE CA . 36002 1 1023 . 1 . 1 144 144 PHE CB C 13 39.55 0.3 . 1 . . . . A 144 PHE CB . 36002 1 1024 . 1 . 1 144 144 PHE N N 15 124.636 0.3 . 1 . . . . A 144 PHE N . 36002 1 1025 . 1 . 1 145 145 LEU H H 1 8.669 0.02 . 1 . . . . A 145 LEU H . 36002 1 1026 . 1 . 1 145 145 LEU HA H 1 3.776 0.02 . 1 . . . . A 145 LEU HA . 36002 1 1027 . 1 . 1 145 145 LEU HB2 H 1 1.38 0.02 . 1 . . . . A 145 LEU HB2 . 36002 1 1028 . 1 . 1 145 145 LEU HB3 H 1 1.38 0.02 . 1 . . . . A 145 LEU HB3 . 36002 1 1029 . 1 . 1 145 145 LEU CA C 13 58.249 0.3 . 1 . . . . A 145 LEU CA . 36002 1 1030 . 1 . 1 145 145 LEU CB C 13 40.885 0.3 . 1 . . . . A 145 LEU CB . 36002 1 1031 . 1 . 1 145 145 LEU N N 15 117.301 0.3 . 1 . . . . A 145 LEU N . 36002 1 1032 . 1 . 1 146 146 LYS H H 1 7.374 0.02 . 1 . . . . A 146 LYS H . 36002 1 1033 . 1 . 1 146 146 LYS HA H 1 3.979 0.02 . 1 . . . . A 146 LYS HA . 36002 1 1034 . 1 . 1 146 146 LYS HB2 H 1 1.864 0.02 . 1 . . . . A 146 LYS HB2 . 36002 1 1035 . 1 . 1 146 146 LYS HB3 H 1 1.864 0.02 . 1 . . . . A 146 LYS HB3 . 36002 1 1036 . 1 . 1 146 146 LYS CA C 13 59.371 0.3 . 1 . . . . A 146 LYS CA . 36002 1 1037 . 1 . 1 146 146 LYS CB C 13 32.779 0.3 . 1 . . . . A 146 LYS CB . 36002 1 1038 . 1 . 1 146 146 LYS N N 15 119.804 0.3 . 1 . . . . A 146 LYS N . 36002 1 1039 . 1 . 1 147 147 LEU H H 1 8.482 0.02 . 1 . . . . A 147 LEU H . 36002 1 1040 . 1 . 1 147 147 LEU HB2 H 1 1.746 0.02 . 1 . . . . A 147 LEU HB2 . 36002 1 1041 . 1 . 1 147 147 LEU HB3 H 1 1.746 0.02 . 1 . . . . A 147 LEU HB3 . 36002 1 1042 . 1 . 1 147 147 LEU CA C 13 58.33 0.3 . 1 . . . . A 147 LEU CA . 36002 1 1043 . 1 . 1 147 147 LEU CB C 13 42.12 0.3 . 1 . . . . A 147 LEU CB . 36002 1 1044 . 1 . 1 147 147 LEU N N 15 121.696 0.3 . 1 . . . . A 147 LEU N . 36002 1 1045 . 1 . 1 148 148 VAL H H 1 8.343 0.02 . 1 . . . . A 148 VAL H . 36002 1 1046 . 1 . 1 148 148 VAL CA C 13 67.109 0.3 . 1 . . . . A 148 VAL CA . 36002 1 1047 . 1 . 1 148 148 VAL CB C 13 31.921 0.3 . 1 . . . . A 148 VAL CB . 36002 1 1048 . 1 . 1 148 148 VAL N N 15 118.179 0.3 . 1 . . . . A 148 VAL N . 36002 1 1049 . 1 . 1 149 149 ALA H H 1 7.284 0.02 . 1 . . . . A 149 ALA H . 36002 1 1050 . 1 . 1 149 149 ALA HA H 1 4.111 0.02 . 1 . . . . A 149 ALA HA . 36002 1 1051 . 1 . 1 149 149 ALA HB1 H 1 1.451 0.02 . 1 . . . . A 149 ALA HB1 . 36002 1 1052 . 1 . 1 149 149 ALA HB2 H 1 1.451 0.02 . 1 . . . . A 149 ALA HB2 . 36002 1 1053 . 1 . 1 149 149 ALA HB3 H 1 1.451 0.02 . 1 . . . . A 149 ALA HB3 . 36002 1 1054 . 1 . 1 149 149 ALA CA C 13 54.974 0.3 . 1 . . . . A 149 ALA CA . 36002 1 1055 . 1 . 1 149 149 ALA CB C 13 17.617 0.3 . 1 . . . . A 149 ALA CB . 36002 1 1056 . 1 . 1 149 149 ALA N N 15 120.463 0.3 . 1 . . . . A 149 ALA N . 36002 1 1057 . 1 . 1 150 150 LEU H H 1 7.804 0.02 . 1 . . . . A 150 LEU H . 36002 1 1058 . 1 . 1 150 150 LEU HA H 1 4.142 0.02 . 1 . . . . A 150 LEU HA . 36002 1 1059 . 1 . 1 150 150 LEU HB2 H 1 1.482 0.02 . 1 . . . . A 150 LEU HB2 . 36002 1 1060 . 1 . 1 150 150 LEU HB3 H 1 1.482 0.02 . 1 . . . . A 150 LEU HB3 . 36002 1 1061 . 1 . 1 150 150 LEU CA C 13 57.619 0.3 . 1 . . . . A 150 LEU CA . 36002 1 1062 . 1 . 1 150 150 LEU CB C 13 42.697 0.3 . 1 . . . . A 150 LEU CB . 36002 1 1063 . 1 . 1 150 150 LEU N N 15 119.249 0.3 . 1 . . . . A 150 LEU N . 36002 1 stop_ save_