data_36748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36748 _Entry.Title ; Solution structure of the Human Prostate stem cell antigen (PSCA), water-soluble domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-28 _Entry.Accession_date 2026-03-09 _Entry.Last_release_date 2026-03-09 _Entry.Original_release_date 2026-03-09 _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 NMR' _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 M. Kocharovskaya M. V. . . 36748 2 A. Paramonov A. S. . . 36748 3 E. Lyukmanova E. N. . . 36748 4 Z. Shenkarev Z. O. . . 36748 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NEUROPEPTIDE . 36748 PSCA . 36748 TFP . 36748 nAChR . 36748 'three-finger proteins' . 36748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 36748 '15N chemical shifts' 78 36748 '1H chemical shifts' 491 36748 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 . . 2026-06-06 . original BMRB . 36748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9U9N 'BMRB Entry Tracking System' 36748 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36748 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41154610 _Citation.DOI 10.3390/biom15101381 _Citation.Full_citation . _Citation.Title ; Pro-Inflammatory Protein PSCA Is Upregulated in Neurological Diseases and Targets b2-Subunit-Containing nAChRs. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 15 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _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 Mikhail Shulepko M. A. . . 36748 1 2 Yuqi Che Y. . . . 36748 1 3 Alexander Paramonov A. S. . . 36748 1 4 Milita Kocharovskaya M. V. . . 36748 1 5 Dmitrii Kulbatskii D. S. . . 36748 1 6 Anisia Ivanova A. A. . . 36748 1 7 Anton Chugunov A. O. . . 36748 1 8 Maxim Bychkov M. L. . . 36748 1 9 Artem Kirichenko A. V. . . 36748 1 10 Zakhar Shenkarev Z. O. . . 36748 1 11 Mikhail Kirpichnikov M. P. . . 36748 1 12 Ekaterina Lyukmanova E. N. . . 36748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36748 _Assembly.ID 1 _Assembly.Name 'Prostate stem cell antigen' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 8356.525 _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 . . . . . . 36748 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 disulfide sing . 1 entity_1 1 CYS 4 4 SG . 1 entity_1 1 CYS 29 29 SG . . A 103 CYS SG . . A 128 CYS SG 36748 1 2 disulfide sing . 1 entity_1 1 CYS 7 7 SG . 1 entity_1 1 CYS 16 16 SG . . A 106 CYS SG . . A 115 CYS SG 36748 1 3 disulfide sing . 1 entity_1 1 CYS 22 22 SG . 1 entity_1 1 CYS 47 47 SG . . A 121 CYS SG . . A 146 CYS SG 36748 1 4 disulfide sing . 1 entity_1 1 CYS 51 51 SG . 1 entity_1 1 CYS 67 67 SG . . A 150 CYS SG . . A 166 CYS SG 36748 1 5 disulfide sing . 1 entity_1 1 CYS 68 68 SG . 1 entity_1 1 CYS 73 73 SG . . A 167 CYS SG . . A 172 CYS SG 36748 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 4 4 HG A 103 CYS HG 36748 1 2 . 1 . CYS 29 29 HG A 128 CYS HG 36748 1 3 . 1 . CYS 7 7 HG A 106 CYS HG 36748 1 4 . 1 . CYS 16 16 HG A 115 CYS HG 36748 1 5 . 1 . CYS 22 22 HG A 121 CYS HG 36748 1 6 . 1 . CYS 47 47 HG A 146 CYS HG 36748 1 7 . 1 . CYS 51 51 HG A 150 CYS HG 36748 1 8 . 1 . CYS 67 67 HG A 166 CYS HG 36748 1 9 . 1 . CYS 68 68 HG A 167 CYS HG 36748 1 10 . 1 . CYS 73 73 HG A 172 CYS HG 36748 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 100 MET . start . . 36748 1 . 1 1 10 GLN 10 . A 109 GLN . middle . . 36748 1 . 1 1 11 VAL 11 . A 110 VAL . middle . . 36748 1 . 1 1 12 SER 12 . A 111 SER . middle . . 36748 1 . 1 1 13 ASN 13 . A 112 ASN . middle . . 36748 1 . 1 1 14 GLU 14 . A 113 GLU . middle . . 36748 1 . 1 1 15 ASP 15 . A 114 ASP . middle . . 36748 1 . 1 1 16 CYS 16 . A 115 CYS . middle . . 36748 1 . 1 1 17 LEU 17 . A 116 LEU . middle . . 36748 1 . 1 1 18 GLN 18 . A 117 GLN . middle . . 36748 1 . 1 1 19 VAL 19 . A 118 VAL . middle . . 36748 1 . 1 1 2 LEU 2 . A 101 LEU . middle . . 36748 1 . 1 1 20 GLU 20 . A 119 GLU . middle . . 36748 1 . 1 1 21 ASN 21 . A 120 ASN . middle . . 36748 1 . 1 1 22 CYS 22 . A 121 CYS . middle . . 36748 1 . 1 1 23 THR 23 . A 122 THR . middle . . 36748 1 . 1 1 24 GLN 24 . A 123 GLN . middle . . 36748 1 . 1 1 25 LEU 25 . A 124 LEU . middle . . 36748 1 . 1 1 26 GLY 26 . A 125 GLY . middle no . 36748 1 . 1 1 27 GLU 27 . A 126 GLU . middle . . 36748 1 . 1 1 28 GLN 28 . A 127 GLN . middle . . 36748 1 . 1 1 29 CYS 29 . A 128 CYS . middle . . 36748 1 . 1 1 3 LEU 3 . A 102 LEU . middle . . 36748 1 . 1 1 30 TRP 30 . A 129 TRP . middle . . 36748 1 . 1 1 31 THR 31 . A 130 THR . middle . . 36748 1 . 1 1 32 ALA 32 . A 131 ALA . middle . . 36748 1 . 1 1 33 ARG 33 . A 132 ARG . middle . . 36748 1 . 1 1 34 ILE 34 . A 133 ILE . middle . . 36748 1 . 1 1 35 ARG 35 . A 134 ARG . middle . . 36748 1 . 1 1 36 ALA 36 . A 135 ALA . middle . . 36748 1 . 1 1 37 VAL 37 . A 136 VAL . middle . . 36748 1 . 1 1 38 GLY 38 . A 137 GLY . middle no . 36748 1 . 1 1 39 LEU 39 . A 138 LEU . middle . . 36748 1 . 1 1 4 CYS 4 . A 103 CYS . middle . . 36748 1 . 1 1 40 LEU 40 . A 139 LEU . middle . . 36748 1 . 1 1 41 THR 41 . A 140 THR . middle . . 36748 1 . 1 1 42 VAL 42 . A 141 VAL . middle . . 36748 1 . 1 1 43 ILE 43 . A 142 ILE . middle . . 36748 1 . 1 1 44 SER 44 . A 143 SER . middle . . 36748 1 . 1 1 45 LYS 45 . A 144 LYS . middle . . 36748 1 . 1 1 46 GLY 46 . A 145 GLY . middle no . 36748 1 . 1 1 47 CYS 47 . A 146 CYS . middle . . 36748 1 . 1 1 48 SER 48 . A 147 SER . middle . . 36748 1 . 1 1 49 LEU 49 . A 148 LEU . middle . . 36748 1 . 1 1 5 TYR 5 . A 104 TYR . middle . . 36748 1 . 1 1 50 ASN 50 . A 149 ASN . middle . . 36748 1 . 1 1 51 CYS 51 . A 150 CYS . middle . . 36748 1 . 1 1 52 VAL 52 . A 151 VAL . middle . . 36748 1 . 1 1 53 ASP 53 . A 152 ASP . middle . . 36748 1 . 1 1 54 ASP 54 . A 153 ASP . middle . . 36748 1 . 1 1 55 SER 55 . A 154 SER . middle . . 36748 1 . 1 1 56 GLN 56 . A 155 GLN . middle . . 36748 1 . 1 1 57 ASP 57 . A 156 ASP . middle . . 36748 1 . 1 1 58 TYR 58 . A 157 TYR . middle . . 36748 1 . 1 1 59 TYR 59 . A 158 TYR . middle . . 36748 1 . 1 1 6 SER 6 . A 105 SER . middle . . 36748 1 . 1 1 60 VAL 60 . A 159 VAL . middle . . 36748 1 . 1 1 61 GLY 61 . A 160 GLY . middle no . 36748 1 . 1 1 62 LYS 62 . A 161 LYS . middle . . 36748 1 . 1 1 63 LYS 63 . A 162 LYS . middle . . 36748 1 . 1 1 64 ASN 64 . A 163 ASN . middle . . 36748 1 . 1 1 65 ILE 65 . A 164 ILE . middle . . 36748 1 . 1 1 66 THR 66 . A 165 THR . middle . . 36748 1 . 1 1 67 CYS 67 . A 166 CYS . middle . . 36748 1 . 1 1 68 CYS 68 . A 167 CYS . middle . . 36748 1 . 1 1 69 ASP 69 . A 168 ASP . middle . . 36748 1 . 1 1 7 CYS 7 . A 106 CYS . middle . . 36748 1 . 1 1 70 THR 70 . A 169 THR . middle . . 36748 1 . 1 1 71 ASP 71 . A 170 ASP . middle . . 36748 1 . 1 1 72 LEU 72 . A 171 LEU . middle . . 36748 1 . 1 1 73 CYS 73 . A 172 CYS . middle . . 36748 1 . 1 1 74 ASN 74 . A 173 ASN . middle . . 36748 1 . 1 1 75 ALA 75 . A 174 ALA . middle . . 36748 1 . 1 1 76 SER 76 . A 175 SER . end . . 36748 1 . 1 1 8 LYS 8 . A 107 LYS . middle . . 36748 1 . 1 1 9 ALA 9 . A 108 ALA . middle . . 36748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Prostate stem cell antigen' _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 ; MLLCYSCKAQVSNEDCLQVE NCTQLGEQCWTARIRAVGLL TVISKGCSLNCVDDSQDYYV GKKNITCCDTDLCNAS ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8356.525 _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 1 100 MET . 36748 1 2 101 LEU . 36748 1 3 102 LEU . 36748 1 4 103 CYS . 36748 1 5 104 TYR . 36748 1 6 105 SER . 36748 1 7 106 CYS . 36748 1 8 107 LYS . 36748 1 9 108 ALA . 36748 1 10 109 GLN . 36748 1 11 110 VAL . 36748 1 12 111 SER . 36748 1 13 112 ASN . 36748 1 14 113 GLU . 36748 1 15 114 ASP . 36748 1 16 115 CYS . 36748 1 17 116 LEU . 36748 1 18 117 GLN . 36748 1 19 118 VAL . 36748 1 20 119 GLU . 36748 1 21 120 ASN . 36748 1 22 121 CYS . 36748 1 23 122 THR . 36748 1 24 123 GLN . 36748 1 25 124 LEU . 36748 1 26 125 GLY . 36748 1 27 126 GLU . 36748 1 28 127 GLN . 36748 1 29 128 CYS . 36748 1 30 129 TRP . 36748 1 31 130 THR . 36748 1 32 131 ALA . 36748 1 33 132 ARG . 36748 1 34 133 ILE . 36748 1 35 134 ARG . 36748 1 36 135 ALA . 36748 1 37 136 VAL . 36748 1 38 137 GLY . 36748 1 39 138 LEU . 36748 1 40 139 LEU . 36748 1 41 140 THR . 36748 1 42 141 VAL . 36748 1 43 142 ILE . 36748 1 44 143 SER . 36748 1 45 144 LYS . 36748 1 46 145 GLY . 36748 1 47 146 CYS . 36748 1 48 147 SER . 36748 1 49 148 LEU . 36748 1 50 149 ASN . 36748 1 51 150 CYS . 36748 1 52 151 VAL . 36748 1 53 152 ASP . 36748 1 54 153 ASP . 36748 1 55 154 SER . 36748 1 56 155 GLN . 36748 1 57 156 ASP . 36748 1 58 157 TYR . 36748 1 59 158 TYR . 36748 1 60 159 VAL . 36748 1 61 160 GLY . 36748 1 62 161 LYS . 36748 1 63 162 LYS . 36748 1 64 163 ASN . 36748 1 65 164 ILE . 36748 1 66 165 THR . 36748 1 67 166 CYS . 36748 1 68 167 CYS . 36748 1 69 168 ASP . 36748 1 70 169 THR . 36748 1 71 170 ASP . 36748 1 72 171 LEU . 36748 1 73 172 CYS . 36748 1 74 173 ASN . 36748 1 75 174 ALA . 36748 1 76 175 SER . 36748 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 36748 1 . LEU 2 2 36748 1 . LEU 3 3 36748 1 . CYS 4 4 36748 1 . TYR 5 5 36748 1 . SER 6 6 36748 1 . CYS 7 7 36748 1 . LYS 8 8 36748 1 . ALA 9 9 36748 1 . GLN 10 10 36748 1 . VAL 11 11 36748 1 . SER 12 12 36748 1 . ASN 13 13 36748 1 . GLU 14 14 36748 1 . ASP 15 15 36748 1 . CYS 16 16 36748 1 . LEU 17 17 36748 1 . GLN 18 18 36748 1 . VAL 19 19 36748 1 . GLU 20 20 36748 1 . ASN 21 21 36748 1 . CYS 22 22 36748 1 . THR 23 23 36748 1 . GLN 24 24 36748 1 . LEU 25 25 36748 1 . GLY 26 26 36748 1 . GLU 27 27 36748 1 . GLN 28 28 36748 1 . CYS 29 29 36748 1 . TRP 30 30 36748 1 . THR 31 31 36748 1 . ALA 32 32 36748 1 . ARG 33 33 36748 1 . ILE 34 34 36748 1 . ARG 35 35 36748 1 . ALA 36 36 36748 1 . VAL 37 37 36748 1 . GLY 38 38 36748 1 . LEU 39 39 36748 1 . LEU 40 40 36748 1 . THR 41 41 36748 1 . VAL 42 42 36748 1 . ILE 43 43 36748 1 . SER 44 44 36748 1 . LYS 45 45 36748 1 . GLY 46 46 36748 1 . CYS 47 47 36748 1 . SER 48 48 36748 1 . LEU 49 49 36748 1 . ASN 50 50 36748 1 . CYS 51 51 36748 1 . VAL 52 52 36748 1 . ASP 53 53 36748 1 . ASP 54 54 36748 1 . SER 55 55 36748 1 . GLN 56 56 36748 1 . ASP 57 57 36748 1 . TYR 58 58 36748 1 . TYR 59 59 36748 1 . VAL 60 60 36748 1 . GLY 61 61 36748 1 . LYS 62 62 36748 1 . LYS 63 63 36748 1 . ASN 64 64 36748 1 . ILE 65 65 36748 1 . THR 66 66 36748 1 . CYS 67 67 36748 1 . CYS 68 68 36748 1 . ASP 69 69 36748 1 . THR 70 70 36748 1 . ASP 71 71 36748 1 . LEU 72 72 36748 1 . CYS 73 73 36748 1 . ASN 74 74 36748 1 . ALA 75 75 36748 1 . SER 76 76 36748 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36748 _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 . 9606 organism . 'Homo sapiens' human . . . Metazoa Homo sapiens . . . . . . . . . . . 'PSCA, UNQ206/PRO232' . 36748 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 36748 _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 . . . vector . . pET22b(+) . . . 36748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36748 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.07 mM [U-13C; U-15N] PSCA, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PSCA '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.07 . . mM 0.01 . . . 36748 1 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36748 1 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36748 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36748 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.17 mM PSCA, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PSCA 'natural abundance' 1 $assembly 1 $entity_1 . protein 0.17 . . mM 0.01 . . . 36748 2 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36748 2 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36748 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36748 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.17 mM PSCA, 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 PSCA 'natural abundance' 1 $assembly 1 $entity_1 . protein 0.17 . . mM 0.01 . . . 36748 3 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36748 3 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 36748 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 1 mM 36748 1 pH 7.0 0.05 pH 36748 1 pressure 1 . atm 36748 1 temperature 310 0.1 K 36748 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36748 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36748 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36748 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36748 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36748 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36748 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36748 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36748 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36748 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36748 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36748 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36748 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36748 _Software.ID 5 _Software.Type . _Software.Name CARA _Software.Version 1.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36748 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36748 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36748 _Software.ID 6 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Jaravine and Kazimierczuk' . . 36748 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36748 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36748 _Software.ID 7 _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' . . 36748 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36748 7 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 36748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36748 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 36748 _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 III' . 600 . . . 36748 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36748 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36748 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36748 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 8 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36748 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36748 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36748 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36748 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36748 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36748 _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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 36748 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 36748 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 36748 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 36748 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36748 1 10 '3D HNCACB' 1 $sample_1 isotropic 36748 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 2 $software_2 . . 36748 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HE1 H 1 2.018 0.020 . 1 . . . . A 100 MET HE1 . 36748 1 2 . 1 . 1 1 1 MET HE2 H 1 2.018 0.020 . 1 . . . . A 100 MET HE2 . 36748 1 3 . 1 . 1 1 1 MET HE3 H 1 2.018 0.020 . 1 . . . . A 100 MET HE3 . 36748 1 4 . 1 . 1 1 1 MET CE C 13 14.381 0.400 . 1 . . . . A 100 MET CE . 36748 1 5 . 1 . 1 2 2 LEU HA H 1 4.542 0.020 . 1 . . . . A 101 LEU HA . 36748 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.487 0.020 . 2 . . . . A 101 LEU HB2 . 36748 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.487 0.020 . 2 . . . . A 101 LEU HB3 . 36748 1 8 . 1 . 1 2 2 LEU HD11 H 1 0.888 0.020 . 2 . . . . A 101 LEU HD11 . 36748 1 9 . 1 . 1 2 2 LEU HD12 H 1 0.888 0.020 . 2 . . . . A 101 LEU HD12 . 36748 1 10 . 1 . 1 2 2 LEU HD13 H 1 0.888 0.020 . 2 . . . . A 101 LEU HD13 . 36748 1 11 . 1 . 1 2 2 LEU HD21 H 1 0.896 0.020 . 2 . . . . A 101 LEU HD21 . 36748 1 12 . 1 . 1 2 2 LEU HD22 H 1 0.896 0.020 . 2 . . . . A 101 LEU HD22 . 36748 1 13 . 1 . 1 2 2 LEU HD23 H 1 0.896 0.020 . 2 . . . . A 101 LEU HD23 . 36748 1 14 . 1 . 1 2 2 LEU HG H 1 1.612 0.020 . 1 . . . . A 101 LEU HG . 36748 1 15 . 1 . 1 2 2 LEU C C 13 171.162 0.400 . 1 . . . . A 101 LEU C . 36748 1 16 . 1 . 1 2 2 LEU CA C 13 52.591 0.400 . 1 . . . . A 101 LEU CA . 36748 1 17 . 1 . 1 2 2 LEU CB C 13 42.113 0.400 . 1 . . . . A 101 LEU CB . 36748 1 18 . 1 . 1 2 2 LEU CD1 C 13 20.733 0.400 . 2 . . . . A 101 LEU CD1 . 36748 1 19 . 1 . 1 2 2 LEU CD2 C 13 23.513 0.400 . 2 . . . . A 101 LEU CD2 . 36748 1 20 . 1 . 1 2 2 LEU CG C 13 24.366 0.400 . 1 . . . . A 101 LEU CG . 36748 1 21 . 1 . 1 3 3 LEU H H 1 8.190 0.020 . 1 . . . . A 102 LEU H . 36748 1 22 . 1 . 1 3 3 LEU HA H 1 4.965 0.020 . 1 . . . . A 102 LEU HA . 36748 1 23 . 1 . 1 3 3 LEU HB2 H 1 1.238 0.020 . 1 . . . . A 102 LEU HB2 . 36748 1 24 . 1 . 1 3 3 LEU HB3 H 1 1.372 0.020 . 1 . . . . A 102 LEU HB3 . 36748 1 25 . 1 . 1 3 3 LEU HD11 H 1 0.725 0.020 . 2 . . . . A 102 LEU HD11 . 36748 1 26 . 1 . 1 3 3 LEU HD12 H 1 0.725 0.020 . 2 . . . . A 102 LEU HD12 . 36748 1 27 . 1 . 1 3 3 LEU HD13 H 1 0.725 0.020 . 2 . . . . A 102 LEU HD13 . 36748 1 28 . 1 . 1 3 3 LEU HD21 H 1 0.718 0.020 . 2 . . . . A 102 LEU HD21 . 36748 1 29 . 1 . 1 3 3 LEU HD22 H 1 0.718 0.020 . 2 . . . . A 102 LEU HD22 . 36748 1 30 . 1 . 1 3 3 LEU HD23 H 1 0.718 0.020 . 2 . . . . A 102 LEU HD23 . 36748 1 31 . 1 . 1 3 3 LEU HG H 1 1.479 0.020 . 1 . . . . A 102 LEU HG . 36748 1 32 . 1 . 1 3 3 LEU C C 13 173.549 0.400 . 1 . . . . A 102 LEU C . 36748 1 33 . 1 . 1 3 3 LEU CA C 13 50.832 0.400 . 1 . . . . A 102 LEU CA . 36748 1 34 . 1 . 1 3 3 LEU CB C 13 41.736 0.400 . 1 . . . . A 102 LEU CB . 36748 1 35 . 1 . 1 3 3 LEU CD1 C 13 22.040 0.400 . 2 . . . . A 102 LEU CD1 . 36748 1 36 . 1 . 1 3 3 LEU CD2 C 13 21.663 0.400 . 2 . . . . A 102 LEU CD2 . 36748 1 37 . 1 . 1 3 3 LEU CG C 13 23.989 0.400 . 1 . . . . A 102 LEU CG . 36748 1 38 . 1 . 1 3 3 LEU N N 15 125.329 0.400 . 1 . . . . A 102 LEU N . 36748 1 39 . 1 . 1 4 4 CYS H H 1 8.706 0.020 . 1 . . . . A 103 CYS H . 36748 1 40 . 1 . 1 4 4 CYS HA H 1 5.045 0.020 . 1 . . . . A 103 CYS HA . 36748 1 41 . 1 . 1 4 4 CYS HB2 H 1 2.323 0.020 . 1 . . . . A 103 CYS HB2 . 36748 1 42 . 1 . 1 4 4 CYS HB3 H 1 3.026 0.020 . 1 . . . . A 103 CYS HB3 . 36748 1 43 . 1 . 1 4 4 CYS C C 13 171.850 0.400 . 1 . . . . A 103 CYS C . 36748 1 44 . 1 . 1 4 4 CYS CA C 13 49.196 0.400 . 1 . . . . A 103 CYS CA . 36748 1 45 . 1 . 1 4 4 CYS CB C 13 38.996 0.400 . 1 . . . . A 103 CYS CB . 36748 1 46 . 1 . 1 4 4 CYS N N 15 119.829 0.400 . 1 . . . . A 103 CYS N . 36748 1 47 . 1 . 1 5 5 TYR H H 1 9.030 0.020 . 1 . . . . A 104 TYR H . 36748 1 48 . 1 . 1 5 5 TYR HA H 1 5.052 0.020 . 1 . . . . A 104 TYR HA . 36748 1 49 . 1 . 1 5 5 TYR HB2 H 1 2.446 0.020 . 1 . . . . A 104 TYR HB2 . 36748 1 50 . 1 . 1 5 5 TYR HB3 H 1 3.201 0.020 . 1 . . . . A 104 TYR HB3 . 36748 1 51 . 1 . 1 5 5 TYR HD1 H 1 6.902 0.020 . 1 . . . . A 104 TYR HD1 . 36748 1 52 . 1 . 1 5 5 TYR HD2 H 1 6.902 0.020 . 1 . . . . A 104 TYR HD2 . 36748 1 53 . 1 . 1 5 5 TYR HE1 H 1 6.785 0.020 . 1 . . . . A 104 TYR HE1 . 36748 1 54 . 1 . 1 5 5 TYR HE2 H 1 6.785 0.020 . 1 . . . . A 104 TYR HE2 . 36748 1 55 . 1 . 1 5 5 TYR C C 13 174.116 0.400 . 1 . . . . A 104 TYR C . 36748 1 56 . 1 . 1 5 5 TYR CA C 13 57.883 0.400 . 1 . . . . A 104 TYR CA . 36748 1 57 . 1 . 1 5 5 TYR CB C 13 35.029 0.400 . 1 . . . . A 104 TYR CB . 36748 1 58 . 1 . 1 5 5 TYR CD1 C 13 130.259 0.400 . 3 . . . . A 104 TYR CD1 . 36748 1 59 . 1 . 1 5 5 TYR CE1 C 13 115.529 0.400 . 3 . . . . A 104 TYR CE1 . 36748 1 60 . 1 . 1 5 5 TYR N N 15 122.279 0.400 . 1 . . . . A 104 TYR N . 36748 1 61 . 1 . 1 6 6 SER H H 1 8.333 0.020 . 1 . . . . A 105 SER H . 36748 1 62 . 1 . 1 6 6 SER HA H 1 4.772 0.020 . 1 . . . . A 105 SER HA . 36748 1 63 . 1 . 1 6 6 SER HB2 H 1 3.520 0.020 . 1 . . . . A 105 SER HB2 . 36748 1 64 . 1 . 1 6 6 SER HB3 H 1 3.352 0.020 . 1 . . . . A 105 SER HB3 . 36748 1 65 . 1 . 1 6 6 SER C C 13 171.449 0.400 . 1 . . . . A 105 SER C . 36748 1 66 . 1 . 1 6 6 SER CA C 13 53.375 0.400 . 1 . . . . A 105 SER CA . 36748 1 67 . 1 . 1 6 6 SER CB C 13 63.074 0.400 . 1 . . . . A 105 SER CB . 36748 1 68 . 1 . 1 6 6 SER N N 15 112.403 0.400 . 1 . . . . A 105 SER N . 36748 1 69 . 1 . 1 7 7 CYS H H 1 8.682 0.020 . 1 . . . . A 106 CYS H . 36748 1 70 . 1 . 1 7 7 CYS HA H 1 4.926 0.020 . 1 . . . . A 106 CYS HA . 36748 1 71 . 1 . 1 7 7 CYS HB2 H 1 4.280 0.020 . 1 . . . . A 106 CYS HB2 . 36748 1 72 . 1 . 1 7 7 CYS HB3 H 1 3.474 0.020 . 1 . . . . A 106 CYS HB3 . 36748 1 73 . 1 . 1 7 7 CYS C C 13 170.418 0.400 . 1 . . . . A 106 CYS C . 36748 1 74 . 1 . 1 7 7 CYS CA C 13 53.904 0.400 . 1 . . . . A 106 CYS CA . 36748 1 75 . 1 . 1 7 7 CYS CB C 13 42.936 0.400 . 1 . . . . A 106 CYS CB . 36748 1 76 . 1 . 1 7 7 CYS N N 15 118.292 0.400 . 1 . . . . A 106 CYS N . 36748 1 77 . 1 . 1 8 8 LYS H H 1 9.142 0.020 . 1 . . . . A 107 LYS H . 36748 1 78 . 1 . 1 8 8 LYS HA H 1 4.838 0.020 . 1 . . . . A 107 LYS HA . 36748 1 79 . 1 . 1 8 8 LYS HB2 H 1 1.842 0.020 . 2 . . . . A 107 LYS HB2 . 36748 1 80 . 1 . 1 8 8 LYS HB3 H 1 1.842 0.020 . 2 . . . . A 107 LYS HB3 . 36748 1 81 . 1 . 1 8 8 LYS HD2 H 1 1.794 0.020 . 2 . . . . A 107 LYS HD2 . 36748 1 82 . 1 . 1 8 8 LYS HD3 H 1 1.794 0.020 . 2 . . . . A 107 LYS HD3 . 36748 1 83 . 1 . 1 8 8 LYS HE2 H 1 3.090 0.020 . 2 . . . . A 107 LYS HE2 . 36748 1 84 . 1 . 1 8 8 LYS HE3 H 1 3.090 0.020 . 2 . . . . A 107 LYS HE3 . 36748 1 85 . 1 . 1 8 8 LYS HG2 H 1 1.473 0.020 . 2 . . . . A 107 LYS HG2 . 36748 1 86 . 1 . 1 8 8 LYS HG3 H 1 1.584 0.020 . 2 . . . . A 107 LYS HG3 . 36748 1 87 . 1 . 1 8 8 LYS C C 13 171.874 0.400 . 1 . . . . A 107 LYS C . 36748 1 88 . 1 . 1 8 8 LYS CA C 13 53.138 0.400 . 1 . . . . A 107 LYS CA . 36748 1 89 . 1 . 1 8 8 LYS CB C 13 31.739 0.400 . 1 . . . . A 107 LYS CB . 36748 1 90 . 1 . 1 8 8 LYS CD C 13 26.486 0.400 . 1 . . . . A 107 LYS CD . 36748 1 91 . 1 . 1 8 8 LYS CE C 13 39.684 0.400 . 1 . . . . A 107 LYS CE . 36748 1 92 . 1 . 1 8 8 LYS CG C 13 21.986 0.400 . 1 . . . . A 107 LYS CG . 36748 1 93 . 1 . 1 8 8 LYS N N 15 120.761 0.400 . 1 . . . . A 107 LYS N . 36748 1 94 . 1 . 1 9 9 ALA H H 1 8.876 0.020 . 1 . . . . A 108 ALA H . 36748 1 95 . 1 . 1 9 9 ALA HA H 1 3.758 0.020 . 1 . . . . A 108 ALA HA . 36748 1 96 . 1 . 1 9 9 ALA HB1 H 1 1.308 0.020 . 1 . . . . A 108 ALA HB1 . 36748 1 97 . 1 . 1 9 9 ALA HB2 H 1 1.308 0.020 . 1 . . . . A 108 ALA HB2 . 36748 1 98 . 1 . 1 9 9 ALA HB3 H 1 1.308 0.020 . 1 . . . . A 108 ALA HB3 . 36748 1 99 . 1 . 1 9 9 ALA C C 13 173.085 0.400 . 1 . . . . A 108 ALA C . 36748 1 100 . 1 . 1 9 9 ALA CA C 13 50.223 0.400 . 1 . . . . A 108 ALA CA . 36748 1 101 . 1 . 1 9 9 ALA CB C 13 14.837 0.400 . 1 . . . . A 108 ALA CB . 36748 1 102 . 1 . 1 9 9 ALA N N 15 129.506 0.400 . 1 . . . . A 108 ALA N . 36748 1 103 . 1 . 1 10 10 GLN H H 1 9.104 0.020 . 1 . . . . A 109 GLN H . 36748 1 104 . 1 . 1 10 10 GLN HA H 1 4.808 0.020 . 1 . . . . A 109 GLN HA . 36748 1 105 . 1 . 1 10 10 GLN HB2 H 1 1.821 0.020 . 2 . . . . A 109 GLN HB2 . 36748 1 106 . 1 . 1 10 10 GLN HB3 H 1 1.821 0.020 . 2 . . . . A 109 GLN HB3 . 36748 1 107 . 1 . 1 10 10 GLN HE21 H 1 7.520 0.020 . 2 . . . . A 109 GLN HE21 . 36748 1 108 . 1 . 1 10 10 GLN HE22 H 1 6.969 0.020 . 2 . . . . A 109 GLN HE22 . 36748 1 109 . 1 . 1 10 10 GLN HG2 H 1 2.533 0.020 . 2 . . . . A 109 GLN HG2 . 36748 1 110 . 1 . 1 10 10 GLN HG3 H 1 2.337 0.020 . 2 . . . . A 109 GLN HG3 . 36748 1 111 . 1 . 1 10 10 GLN C C 13 173.652 0.400 . 1 . . . . A 109 GLN C . 36748 1 112 . 1 . 1 10 10 GLN CA C 13 50.901 0.400 . 1 . . . . A 109 GLN CA . 36748 1 113 . 1 . 1 10 10 GLN CB C 13 28.732 0.400 . 1 . . . . A 109 GLN CB . 36748 1 114 . 1 . 1 10 10 GLN CG C 13 31.896 0.400 . 1 . . . . A 109 GLN CG . 36748 1 115 . 1 . 1 10 10 GLN N N 15 117.963 0.400 . 1 . . . . A 109 GLN N . 36748 1 116 . 1 . 1 10 10 GLN NE2 N 15 115.180 0.400 . 1 . . . . A 109 GLN NE2 . 36748 1 117 . 1 . 1 11 11 VAL H H 1 8.612 0.020 . 1 . . . . A 110 VAL H . 36748 1 118 . 1 . 1 11 11 VAL HA H 1 4.770 0.020 . 1 . . . . A 110 VAL HA . 36748 1 119 . 1 . 1 11 11 VAL HB H 1 2.392 0.020 . 1 . . . . A 110 VAL HB . 36748 1 120 . 1 . 1 11 11 VAL HG11 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG11 . 36748 1 121 . 1 . 1 11 11 VAL HG12 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG12 . 36748 1 122 . 1 . 1 11 11 VAL HG13 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG13 . 36748 1 123 . 1 . 1 11 11 VAL HG21 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG21 . 36748 1 124 . 1 . 1 11 11 VAL HG22 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG22 . 36748 1 125 . 1 . 1 11 11 VAL HG23 H 1 0.976 0.020 . 2 . . . . A 110 VAL HG23 . 36748 1 126 . 1 . 1 11 11 VAL C C 13 173.652 0.400 . 1 . . . . A 110 VAL C . 36748 1 127 . 1 . 1 11 11 VAL CA C 13 59.421 0.400 . 1 . . . . A 110 VAL CA . 36748 1 128 . 1 . 1 11 11 VAL CB C 13 29.620 0.400 . 1 . . . . A 110 VAL CB . 36748 1 129 . 1 . 1 11 11 VAL CG1 C 13 18.798 0.400 . 2 . . . . A 110 VAL CG1 . 36748 1 130 . 1 . 1 11 11 VAL CG2 C 13 16.857 0.400 . 2 . . . . A 110 VAL CG2 . 36748 1 131 . 1 . 1 11 11 VAL N N 15 113.158 0.400 . 1 . . . . A 110 VAL N . 36748 1 132 . 1 . 1 12 12 SER H H 1 7.762 0.020 . 1 . . . . A 111 SER H . 36748 1 133 . 1 . 1 12 12 SER HA H 1 4.719 0.020 . 1 . . . . A 111 SER HA . 36748 1 134 . 1 . 1 12 12 SER HB2 H 1 3.933 0.020 . 2 . . . . A 111 SER HB2 . 36748 1 135 . 1 . 1 12 12 SER HB3 H 1 3.841 0.020 . 2 . . . . A 111 SER HB3 . 36748 1 136 . 1 . 1 12 12 SER C C 13 172.351 0.400 . 1 . . . . A 111 SER C . 36748 1 137 . 1 . 1 12 12 SER CA C 13 53.927 0.400 . 1 . . . . A 111 SER CA . 36748 1 138 . 1 . 1 12 12 SER CB C 13 62.515 0.400 . 1 . . . . A 111 SER CB . 36748 1 139 . 1 . 1 12 12 SER N N 15 114.329 0.400 . 1 . . . . A 111 SER N . 36748 1 140 . 1 . 1 13 13 ASN H H 1 9.015 0.020 . 1 . . . . A 112 ASN H . 36748 1 141 . 1 . 1 13 13 ASN HA H 1 4.171 0.020 . 1 . . . . A 112 ASN HA . 36748 1 142 . 1 . 1 13 13 ASN HB2 H 1 2.578 0.020 . 2 . . . . A 112 ASN HB2 . 36748 1 143 . 1 . 1 13 13 ASN HB3 H 1 2.578 0.020 . 2 . . . . A 112 ASN HB3 . 36748 1 144 . 1 . 1 13 13 ASN HD21 H 1 7.451 0.020 . 2 . . . . A 112 ASN HD21 . 36748 1 145 . 1 . 1 13 13 ASN HD22 H 1 6.875 0.020 . 2 . . . . A 112 ASN HD22 . 36748 1 146 . 1 . 1 13 13 ASN C C 13 174.696 0.400 . 1 . . . . A 112 ASN C . 36748 1 147 . 1 . 1 13 13 ASN CA C 13 53.456 0.400 . 1 . . . . A 112 ASN CA . 36748 1 148 . 1 . 1 13 13 ASN CB C 13 36.061 0.400 . 1 . . . . A 112 ASN CB . 36748 1 149 . 1 . 1 13 13 ASN N N 15 123.946 0.400 . 1 . . . . A 112 ASN N . 36748 1 150 . 1 . 1 13 13 ASN ND2 N 15 113.294 0.400 . 1 . . . . A 112 ASN ND2 . 36748 1 151 . 1 . 1 14 14 GLU H H 1 8.499 0.020 . 1 . . . . A 113 GLU H . 36748 1 152 . 1 . 1 14 14 GLU HA H 1 3.959 0.020 . 1 . . . . A 113 GLU HA . 36748 1 153 . 1 . 1 14 14 GLU HB2 H 1 2.048 0.020 . 1 . . . . A 113 GLU HB2 . 36748 1 154 . 1 . 1 14 14 GLU HB3 H 1 1.933 0.020 . 1 . . . . A 113 GLU HB3 . 36748 1 155 . 1 . 1 14 14 GLU HG2 H 1 2.323 0.020 . 2 . . . . A 113 GLU HG2 . 36748 1 156 . 1 . 1 14 14 GLU HG3 H 1 2.251 0.020 . 2 . . . . A 113 GLU HG3 . 36748 1 157 . 1 . 1 14 14 GLU C C 13 173.974 0.400 . 1 . . . . A 113 GLU C . 36748 1 158 . 1 . 1 14 14 GLU CA C 13 55.981 0.400 . 1 . . . . A 113 GLU CA . 36748 1 159 . 1 . 1 14 14 GLU CB C 13 26.138 0.400 . 1 . . . . A 113 GLU CB . 36748 1 160 . 1 . 1 14 14 GLU CG C 13 34.292 0.400 . 1 . . . . A 113 GLU CG . 36748 1 161 . 1 . 1 14 14 GLU N N 15 117.899 0.400 . 1 . . . . A 113 GLU N . 36748 1 162 . 1 . 1 15 15 ASP H H 1 7.328 0.020 . 1 . . . . A 114 ASP H . 36748 1 163 . 1 . 1 15 15 ASP HA H 1 4.898 0.020 . 1 . . . . A 114 ASP HA . 36748 1 164 . 1 . 1 15 15 ASP HB2 H 1 2.704 0.020 . 1 . . . . A 114 ASP HB2 . 36748 1 165 . 1 . 1 15 15 ASP HB3 H 1 3.183 0.020 . 1 . . . . A 114 ASP HB3 . 36748 1 166 . 1 . 1 15 15 ASP C C 13 172.827 0.400 . 1 . . . . A 114 ASP C . 36748 1 167 . 1 . 1 15 15 ASP CA C 13 52.195 0.400 . 1 . . . . A 114 ASP CA . 36748 1 168 . 1 . 1 15 15 ASP CB C 13 39.226 0.400 . 1 . . . . A 114 ASP CB . 36748 1 169 . 1 . 1 15 15 ASP N N 15 117.489 0.400 . 1 . . . . A 114 ASP N . 36748 1 170 . 1 . 1 16 16 CYS H H 1 7.715 0.020 . 1 . . . . A 115 CYS H . 36748 1 171 . 1 . 1 16 16 CYS HA H 1 5.103 0.020 . 1 . . . . A 115 CYS HA . 36748 1 172 . 1 . 1 16 16 CYS HB2 H 1 3.312 0.020 . 2 . . . . A 115 CYS HB2 . 36748 1 173 . 1 . 1 16 16 CYS HB3 H 1 3.027 0.020 . 2 . . . . A 115 CYS HB3 . 36748 1 174 . 1 . 1 16 16 CYS C C 13 171.075 0.400 . 1 . . . . A 115 CYS C . 36748 1 175 . 1 . 1 16 16 CYS CA C 13 54.157 0.400 . 1 . . . . A 115 CYS CA . 36748 1 176 . 1 . 1 16 16 CYS CB C 13 45.910 0.400 . 1 . . . . A 115 CYS CB . 36748 1 177 . 1 . 1 16 16 CYS N N 15 120.659 0.400 . 1 . . . . A 115 CYS N . 36748 1 178 . 1 . 1 17 17 LEU H H 1 7.998 0.020 . 1 . . . . A 116 LEU H . 36748 1 179 . 1 . 1 17 17 LEU HA H 1 4.592 0.020 . 1 . . . . A 116 LEU HA . 36748 1 180 . 1 . 1 17 17 LEU HB2 H 1 1.618 0.020 . 1 . . . . A 116 LEU HB2 . 36748 1 181 . 1 . 1 17 17 LEU HB3 H 1 1.711 0.020 . 1 . . . . A 116 LEU HB3 . 36748 1 182 . 1 . 1 17 17 LEU HD11 H 1 0.876 0.020 . 1 . . . . A 116 LEU HD11 . 36748 1 183 . 1 . 1 17 17 LEU HD12 H 1 0.876 0.020 . 1 . . . . A 116 LEU HD12 . 36748 1 184 . 1 . 1 17 17 LEU HD13 H 1 0.876 0.020 . 1 . . . . A 116 LEU HD13 . 36748 1 185 . 1 . 1 17 17 LEU HD21 H 1 0.468 0.020 . 1 . . . . A 116 LEU HD21 . 36748 1 186 . 1 . 1 17 17 LEU HD22 H 1 0.468 0.020 . 1 . . . . A 116 LEU HD22 . 36748 1 187 . 1 . 1 17 17 LEU HD23 H 1 0.468 0.020 . 1 . . . . A 116 LEU HD23 . 36748 1 188 . 1 . 1 17 17 LEU HG H 1 1.487 0.020 . 1 . . . . A 116 LEU HG . 36748 1 189 . 1 . 1 17 17 LEU C C 13 174.838 0.400 . 1 . . . . A 116 LEU C . 36748 1 190 . 1 . 1 17 17 LEU CA C 13 52.001 0.400 . 1 . . . . A 116 LEU CA . 36748 1 191 . 1 . 1 17 17 LEU CB C 13 39.509 0.400 . 1 . . . . A 116 LEU CB . 36748 1 192 . 1 . 1 17 17 LEU CD1 C 13 23.031 0.400 . 2 . . . . A 116 LEU CD1 . 36748 1 193 . 1 . 1 17 17 LEU CD2 C 13 19.774 0.400 . 2 . . . . A 116 LEU CD2 . 36748 1 194 . 1 . 1 17 17 LEU CG C 13 23.712 0.400 . 1 . . . . A 116 LEU CG . 36748 1 195 . 1 . 1 17 17 LEU N N 15 119.386 0.400 . 1 . . . . A 116 LEU N . 36748 1 196 . 1 . 1 18 18 GLN H H 1 7.626 0.020 . 1 . . . . A 117 GLN H . 36748 1 197 . 1 . 1 18 18 GLN HA H 1 4.440 0.020 . 1 . . . . A 117 GLN HA . 36748 1 198 . 1 . 1 18 18 GLN HB2 H 1 2.326 0.020 . 2 . . . . A 117 GLN HB2 . 36748 1 199 . 1 . 1 18 18 GLN HB3 H 1 2.326 0.020 . 2 . . . . A 117 GLN HB3 . 36748 1 200 . 1 . 1 18 18 GLN HG2 H 1 2.511 0.020 . 2 . . . . A 117 GLN HG2 . 36748 1 201 . 1 . 1 18 18 GLN HG3 H 1 2.511 0.020 . 2 . . . . A 117 GLN HG3 . 36748 1 202 . 1 . 1 18 18 GLN C C 13 172.235 0.400 . 1 . . . . A 117 GLN C . 36748 1 203 . 1 . 1 18 18 GLN CA C 13 53.855 0.400 . 1 . . . . A 117 GLN CA . 36748 1 204 . 1 . 1 18 18 GLN CB C 13 26.459 0.400 . 1 . . . . A 117 GLN CB . 36748 1 205 . 1 . 1 18 18 GLN CG C 13 31.942 0.400 . 1 . . . . A 117 GLN CG . 36748 1 206 . 1 . 1 18 18 GLN N N 15 119.363 0.400 . 1 . . . . A 117 GLN N . 36748 1 207 . 1 . 1 19 19 VAL H H 1 8.213 0.020 . 1 . . . . A 118 VAL H . 36748 1 208 . 1 . 1 19 19 VAL HA H 1 4.678 0.020 . 1 . . . . A 118 VAL HA . 36748 1 209 . 1 . 1 19 19 VAL HB H 1 1.756 0.020 . 1 . . . . A 118 VAL HB . 36748 1 210 . 1 . 1 19 19 VAL HG11 H 1 0.636 0.020 . 1 . . . . A 118 VAL HG11 . 36748 1 211 . 1 . 1 19 19 VAL HG12 H 1 0.636 0.020 . 1 . . . . A 118 VAL HG12 . 36748 1 212 . 1 . 1 19 19 VAL HG13 H 1 0.636 0.020 . 1 . . . . A 118 VAL HG13 . 36748 1 213 . 1 . 1 19 19 VAL HG21 H 1 0.776 0.020 . 1 . . . . A 118 VAL HG21 . 36748 1 214 . 1 . 1 19 19 VAL HG22 H 1 0.776 0.020 . 1 . . . . A 118 VAL HG22 . 36748 1 215 . 1 . 1 19 19 VAL HG23 H 1 0.776 0.020 . 1 . . . . A 118 VAL HG23 . 36748 1 216 . 1 . 1 19 19 VAL C C 13 173.317 0.400 . 1 . . . . A 118 VAL C . 36748 1 217 . 1 . 1 19 19 VAL CA C 13 58.401 0.400 . 1 . . . . A 118 VAL CA . 36748 1 218 . 1 . 1 19 19 VAL CB C 13 31.728 0.400 . 1 . . . . A 118 VAL CB . 36748 1 219 . 1 . 1 19 19 VAL CG1 C 13 19.988 0.400 . 2 . . . . A 118 VAL CG1 . 36748 1 220 . 1 . 1 19 19 VAL CG2 C 13 18.123 0.400 . 2 . . . . A 118 VAL CG2 . 36748 1 221 . 1 . 1 19 19 VAL N N 15 118.850 0.400 . 1 . . . . A 118 VAL N . 36748 1 222 . 1 . 1 20 20 GLU H H 1 9.345 0.020 . 1 . . . . A 119 GLU H . 36748 1 223 . 1 . 1 20 20 GLU HA H 1 4.675 0.020 . 1 . . . . A 119 GLU HA . 36748 1 224 . 1 . 1 20 20 GLU HB2 H 1 1.921 0.020 . 2 . . . . A 119 GLU HB2 . 36748 1 225 . 1 . 1 20 20 GLU HB3 H 1 1.921 0.020 . 2 . . . . A 119 GLU HB3 . 36748 1 226 . 1 . 1 20 20 GLU HG2 H 1 2.139 0.020 . 2 . . . . A 119 GLU HG2 . 36748 1 227 . 1 . 1 20 20 GLU HG3 H 1 2.191 0.020 . 2 . . . . A 119 GLU HG3 . 36748 1 228 . 1 . 1 20 20 GLU C C 13 170.946 0.400 . 1 . . . . A 119 GLU C . 36748 1 229 . 1 . 1 20 20 GLU CA C 13 51.647 0.400 . 1 . . . . A 119 GLU CA . 36748 1 230 . 1 . 1 20 20 GLU CB C 13 31.387 0.400 . 1 . . . . A 119 GLU CB . 36748 1 231 . 1 . 1 20 20 GLU CG C 13 33.456 0.400 . 1 . . . . A 119 GLU CG . 36748 1 232 . 1 . 1 20 20 GLU N N 15 125.657 0.400 . 1 . . . . A 119 GLU N . 36748 1 233 . 1 . 1 21 21 ASN H H 1 8.543 0.020 . 1 . . . . A 120 ASN H . 36748 1 234 . 1 . 1 21 21 ASN HA H 1 5.168 0.020 . 1 . . . . A 120 ASN HA . 36748 1 235 . 1 . 1 21 21 ASN HB2 H 1 2.641 0.020 . 2 . . . . A 120 ASN HB2 . 36748 1 236 . 1 . 1 21 21 ASN HB3 H 1 2.595 0.020 . 2 . . . . A 120 ASN HB3 . 36748 1 237 . 1 . 1 21 21 ASN HD21 H 1 7.102 0.020 . 2 . . . . A 120 ASN HD21 . 36748 1 238 . 1 . 1 21 21 ASN HD22 H 1 6.756 0.020 . 2 . . . . A 120 ASN HD22 . 36748 1 239 . 1 . 1 21 21 ASN C C 13 172.608 0.400 . 1 . . . . A 120 ASN C . 36748 1 240 . 1 . 1 21 21 ASN CA C 13 49.666 0.400 . 1 . . . . A 120 ASN CA . 36748 1 241 . 1 . 1 21 21 ASN CB C 13 37.041 0.400 . 1 . . . . A 120 ASN CB . 36748 1 242 . 1 . 1 21 21 ASN N N 15 120.904 0.400 . 1 . . . . A 120 ASN N . 36748 1 243 . 1 . 1 21 21 ASN ND2 N 15 111.202 0.400 . 1 . . . . A 120 ASN ND2 . 36748 1 244 . 1 . 1 22 22 CYS H H 1 9.225 0.020 . 1 . . . . A 121 CYS H . 36748 1 245 . 1 . 1 22 22 CYS HA H 1 4.929 0.020 . 1 . . . . A 121 CYS HA . 36748 1 246 . 1 . 1 22 22 CYS HB2 H 1 2.817 0.020 . 1 . . . . A 121 CYS HB2 . 36748 1 247 . 1 . 1 22 22 CYS HB3 H 1 3.855 0.020 . 1 . . . . A 121 CYS HB3 . 36748 1 248 . 1 . 1 22 22 CYS C C 13 173.034 0.400 . 1 . . . . A 121 CYS C . 36748 1 249 . 1 . 1 22 22 CYS CA C 13 51.542 0.400 . 1 . . . . A 121 CYS CA . 36748 1 250 . 1 . 1 22 22 CYS CB C 13 33.236 0.400 . 1 . . . . A 121 CYS CB . 36748 1 251 . 1 . 1 22 22 CYS N N 15 124.651 0.400 . 1 . . . . A 121 CYS N . 36748 1 252 . 1 . 1 23 23 THR H H 1 8.927 0.020 . 1 . . . . A 122 THR H . 36748 1 253 . 1 . 1 23 23 THR HA H 1 4.440 0.020 . 1 . . . . A 122 THR HA . 36748 1 254 . 1 . 1 23 23 THR HB H 1 4.378 0.020 . 1 . . . . A 122 THR HB . 36748 1 255 . 1 . 1 23 23 THR HG21 H 1 1.236 0.020 . 1 . . . . A 122 THR HG21 . 36748 1 256 . 1 . 1 23 23 THR HG22 H 1 1.236 0.020 . 1 . . . . A 122 THR HG22 . 36748 1 257 . 1 . 1 23 23 THR HG23 H 1 1.236 0.020 . 1 . . . . A 122 THR HG23 . 36748 1 258 . 1 . 1 23 23 THR C C 13 172.454 0.400 . 1 . . . . A 122 THR C . 36748 1 259 . 1 . 1 23 23 THR CA C 13 60.204 0.400 . 1 . . . . A 122 THR CA . 36748 1 260 . 1 . 1 23 23 THR CB C 13 67.852 0.400 . 1 . . . . A 122 THR CB . 36748 1 261 . 1 . 1 23 23 THR CG2 C 13 19.017 0.400 . 1 . . . . A 122 THR CG2 . 36748 1 262 . 1 . 1 23 23 THR N N 15 112.948 0.400 . 1 . . . . A 122 THR N . 36748 1 263 . 1 . 1 24 24 GLN H H 1 8.359 0.020 . 1 . . . . A 123 GLN H . 36748 1 264 . 1 . 1 24 24 GLN HA H 1 4.668 0.020 . 1 . . . . A 123 GLN HA . 36748 1 265 . 1 . 1 24 24 GLN HB2 H 1 2.101 0.020 . 1 . . . . A 123 GLN HB2 . 36748 1 266 . 1 . 1 24 24 GLN HB3 H 1 1.760 0.020 . 1 . . . . A 123 GLN HB3 . 36748 1 267 . 1 . 1 24 24 GLN HG2 H 1 2.386 0.020 . 2 . . . . A 123 GLN HG2 . 36748 1 268 . 1 . 1 24 24 GLN HG3 H 1 2.386 0.020 . 2 . . . . A 123 GLN HG3 . 36748 1 269 . 1 . 1 24 24 GLN C C 13 173.536 0.400 . 1 . . . . A 123 GLN C . 36748 1 270 . 1 . 1 24 24 GLN CA C 13 51.792 0.400 . 1 . . . . A 123 GLN CA . 36748 1 271 . 1 . 1 24 24 GLN CB C 13 28.494 0.400 . 1 . . . . A 123 GLN CB . 36748 1 272 . 1 . 1 24 24 GLN CG C 13 31.168 0.400 . 1 . . . . A 123 GLN CG . 36748 1 273 . 1 . 1 24 24 GLN N N 15 121.413 0.400 . 1 . . . . A 123 GLN N . 36748 1 274 . 1 . 1 25 25 LEU H H 1 8.705 0.020 . 1 . . . . A 124 LEU H . 36748 1 275 . 1 . 1 25 25 LEU HA H 1 4.122 0.020 . 1 . . . . A 124 LEU HA . 36748 1 276 . 1 . 1 25 25 LEU HB2 H 1 1.637 0.020 . 2 . . . . A 124 LEU HB2 . 36748 1 277 . 1 . 1 25 25 LEU HB3 H 1 1.637 0.020 . 2 . . . . A 124 LEU HB3 . 36748 1 278 . 1 . 1 25 25 LEU HD11 H 1 0.984 0.020 . 2 . . . . A 124 LEU HD11 . 36748 1 279 . 1 . 1 25 25 LEU HD12 H 1 0.984 0.020 . 2 . . . . A 124 LEU HD12 . 36748 1 280 . 1 . 1 25 25 LEU HD13 H 1 0.984 0.020 . 2 . . . . A 124 LEU HD13 . 36748 1 281 . 1 . 1 25 25 LEU HD21 H 1 0.946 0.020 . 2 . . . . A 124 LEU HD21 . 36748 1 282 . 1 . 1 25 25 LEU HD22 H 1 0.946 0.020 . 2 . . . . A 124 LEU HD22 . 36748 1 283 . 1 . 1 25 25 LEU HD23 H 1 0.946 0.020 . 2 . . . . A 124 LEU HD23 . 36748 1 284 . 1 . 1 25 25 LEU HG H 1 1.678 0.020 . 1 . . . . A 124 LEU HG . 36748 1 285 . 1 . 1 25 25 LEU C C 13 174.979 0.400 . 1 . . . . A 124 LEU C . 36748 1 286 . 1 . 1 25 25 LEU CA C 13 54.350 0.400 . 1 . . . . A 124 LEU CA . 36748 1 287 . 1 . 1 25 25 LEU CB C 13 38.937 0.400 . 1 . . . . A 124 LEU CB . 36748 1 288 . 1 . 1 25 25 LEU CD1 C 13 21.801 0.400 . 2 . . . . A 124 LEU CD1 . 36748 1 289 . 1 . 1 25 25 LEU CD2 C 13 21.522 0.400 . 2 . . . . A 124 LEU CD2 . 36748 1 290 . 1 . 1 25 25 LEU CG C 13 24.304 0.400 . 1 . . . . A 124 LEU CG . 36748 1 291 . 1 . 1 25 25 LEU N N 15 126.401 0.400 . 1 . . . . A 124 LEU N . 36748 1 292 . 1 . 1 26 26 GLY H H 1 8.826 0.020 . 1 . . . . A 125 GLY H . 36748 1 293 . 1 . 1 26 26 GLY HA2 H 1 4.220 0.020 . 2 . . . . A 125 GLY HA2 . 36748 1 294 . 1 . 1 26 26 GLY HA3 H 1 3.764 0.020 . 2 . . . . A 125 GLY HA3 . 36748 1 295 . 1 . 1 26 26 GLY C C 13 172.724 0.400 . 1 . . . . A 125 GLY C . 36748 1 296 . 1 . 1 26 26 GLY CA C 13 42.235 0.400 . 1 . . . . A 125 GLY CA . 36748 1 297 . 1 . 1 26 26 GLY N N 15 111.023 0.400 . 1 . . . . A 125 GLY N . 36748 1 298 . 1 . 1 27 27 GLU H H 1 7.480 0.020 . 1 . . . . A 126 GLU H . 36748 1 299 . 1 . 1 27 27 GLU HA H 1 4.151 0.020 . 1 . . . . A 126 GLU HA . 36748 1 300 . 1 . 1 27 27 GLU HB2 H 1 2.313 0.020 . 2 . . . . A 126 GLU HB2 . 36748 1 301 . 1 . 1 27 27 GLU HB3 H 1 1.880 0.020 . 2 . . . . A 126 GLU HB3 . 36748 1 302 . 1 . 1 27 27 GLU HG2 H 1 2.252 0.020 . 2 . . . . A 126 GLU HG2 . 36748 1 303 . 1 . 1 27 27 GLU HG3 H 1 1.956 0.020 . 2 . . . . A 126 GLU HG3 . 36748 1 304 . 1 . 1 27 27 GLU C C 13 172.905 0.400 . 1 . . . . A 126 GLU C . 36748 1 305 . 1 . 1 27 27 GLU CA C 13 55.023 0.400 . 1 . . . . A 126 GLU CA . 36748 1 306 . 1 . 1 27 27 GLU CB C 13 28.184 0.400 . 1 . . . . A 126 GLU CB . 36748 1 307 . 1 . 1 27 27 GLU CG C 13 36.685 0.400 . 1 . . . . A 126 GLU CG . 36748 1 308 . 1 . 1 27 27 GLU N N 15 119.465 0.400 . 1 . . . . A 126 GLU N . 36748 1 309 . 1 . 1 28 28 GLN H H 1 8.386 0.020 . 1 . . . . A 127 GLN H . 36748 1 310 . 1 . 1 28 28 GLN HA H 1 4.676 0.020 . 1 . . . . A 127 GLN HA . 36748 1 311 . 1 . 1 28 28 GLN HB2 H 1 1.884 0.020 . 1 . . . . A 127 GLN HB2 . 36748 1 312 . 1 . 1 28 28 GLN HB3 H 1 2.588 0.020 . 1 . . . . A 127 GLN HB3 . 36748 1 313 . 1 . 1 28 28 GLN HE21 H 1 7.362 0.020 . 2 . . . . A 127 GLN HE21 . 36748 1 314 . 1 . 1 28 28 GLN HE22 H 1 6.548 0.020 . 2 . . . . A 127 GLN HE22 . 36748 1 315 . 1 . 1 28 28 GLN HG2 H 1 2.179 0.020 . 2 . . . . A 127 GLN HG2 . 36748 1 316 . 1 . 1 28 28 GLN HG3 H 1 2.496 0.020 . 2 . . . . A 127 GLN HG3 . 36748 1 317 . 1 . 1 28 28 GLN C C 13 172.652 0.400 . 1 . . . . A 127 GLN C . 36748 1 318 . 1 . 1 28 28 GLN CA C 13 52.162 0.400 . 1 . . . . A 127 GLN CA . 36748 1 319 . 1 . 1 28 28 GLN CB C 13 30.471 0.400 . 1 . . . . A 127 GLN CB . 36748 1 320 . 1 . 1 28 28 GLN CG C 13 32.786 0.400 . 1 . . . . A 127 GLN CG . 36748 1 321 . 1 . 1 28 28 GLN N N 15 119.164 0.400 . 1 . . . . A 127 GLN N . 36748 1 322 . 1 . 1 28 28 GLN NE2 N 15 109.785 0.400 . 1 . . . . A 127 GLN NE2 . 36748 1 323 . 1 . 1 29 29 CYS H H 1 8.655 0.020 . 1 . . . . A 128 CYS H . 36748 1 324 . 1 . 1 29 29 CYS HA H 1 5.638 0.020 . 1 . . . . A 128 CYS HA . 36748 1 325 . 1 . 1 29 29 CYS HB2 H 1 3.287 0.020 . 1 . . . . A 128 CYS HB2 . 36748 1 326 . 1 . 1 29 29 CYS HB3 H 1 3.061 0.020 . 1 . . . . A 128 CYS HB3 . 36748 1 327 . 1 . 1 29 29 CYS CA C 13 50.711 0.400 . 1 . . . . A 128 CYS CA . 36748 1 328 . 1 . 1 29 29 CYS CB C 13 32.203 0.400 . 1 . . . . A 128 CYS CB . 36748 1 329 . 1 . 1 29 29 CYS N N 15 116.687 0.400 . 1 . . . . A 128 CYS N . 36748 1 330 . 1 . 1 30 30 TRP H H 1 9.147 0.020 . 1 . . . . A 129 TRP H . 36748 1 331 . 1 . 1 30 30 TRP HA H 1 5.826 0.020 . 1 . . . . A 129 TRP HA . 36748 1 332 . 1 . 1 30 30 TRP HB2 H 1 3.338 0.020 . 2 . . . . A 129 TRP HB2 . 36748 1 333 . 1 . 1 30 30 TRP HB3 H 1 3.226 0.020 . 2 . . . . A 129 TRP HB3 . 36748 1 334 . 1 . 1 30 30 TRP HD1 H 1 7.142 0.020 . 1 . . . . A 129 TRP HD1 . 36748 1 335 . 1 . 1 30 30 TRP HE1 H 1 9.472 0.020 . 1 . . . . A 129 TRP HE1 . 36748 1 336 . 1 . 1 30 30 TRP HE3 H 1 7.308 0.020 . 1 . . . . A 129 TRP HE3 . 36748 1 337 . 1 . 1 30 30 TRP HH2 H 1 7.113 0.020 . 1 . . . . A 129 TRP HH2 . 36748 1 338 . 1 . 1 30 30 TRP HZ2 H 1 7.402 0.020 . 1 . . . . A 129 TRP HZ2 . 36748 1 339 . 1 . 1 30 30 TRP HZ3 H 1 6.810 0.020 . 1 . . . . A 129 TRP HZ3 . 36748 1 340 . 1 . 1 30 30 TRP CA C 13 53.442 0.400 . 1 . . . . A 129 TRP CA . 36748 1 341 . 1 . 1 30 30 TRP CB C 13 31.342 0.400 . 1 . . . . A 129 TRP CB . 36748 1 342 . 1 . 1 30 30 TRP CD1 C 13 126.411 0.400 . 1 . . . . A 129 TRP CD1 . 36748 1 343 . 1 . 1 30 30 TRP CE3 C 13 117.466 0.400 . 1 . . . . A 129 TRP CE3 . 36748 1 344 . 1 . 1 30 30 TRP CH2 C 13 121.464 0.400 . 1 . . . . A 129 TRP CH2 . 36748 1 345 . 1 . 1 30 30 TRP CZ3 C 13 118.744 0.400 . 1 . . . . A 129 TRP CZ3 . 36748 1 346 . 1 . 1 30 30 TRP NE1 N 15 128.733 0.400 . 1 . . . . A 129 TRP NE1 . 36748 1 347 . 1 . 1 31 31 THR H H 1 8.353 0.020 . 1 . . . . A 130 THR H . 36748 1 348 . 1 . 1 31 31 THR HA H 1 4.876 0.020 . 1 . . . . A 130 THR HA . 36748 1 349 . 1 . 1 31 31 THR HB H 1 3.857 0.020 . 1 . . . . A 130 THR HB . 36748 1 350 . 1 . 1 31 31 THR HG21 H 1 1.083 0.020 . 1 . . . . A 130 THR HG21 . 36748 1 351 . 1 . 1 31 31 THR HG22 H 1 1.083 0.020 . 1 . . . . A 130 THR HG22 . 36748 1 352 . 1 . 1 31 31 THR HG23 H 1 1.083 0.020 . 1 . . . . A 130 THR HG23 . 36748 1 353 . 1 . 1 31 31 THR CA C 13 59.369 0.400 . 1 . . . . A 130 THR CA . 36748 1 354 . 1 . 1 31 31 THR CB C 13 69.242 0.400 . 1 . . . . A 130 THR CB . 36748 1 355 . 1 . 1 31 31 THR CG2 C 13 19.869 0.400 . 1 . . . . A 130 THR CG2 . 36748 1 356 . 1 . 1 31 31 THR N N 15 121.250 0.400 . 1 . . . . A 130 THR N . 36748 1 357 . 1 . 1 32 32 ALA HA H 1 5.159 0.020 . 1 . . . . A 131 ALA HA . 36748 1 358 . 1 . 1 32 32 ALA HB1 H 1 1.082 0.020 . 1 . . . . A 131 ALA HB1 . 36748 1 359 . 1 . 1 32 32 ALA HB2 H 1 1.082 0.020 . 1 . . . . A 131 ALA HB2 . 36748 1 360 . 1 . 1 32 32 ALA HB3 H 1 1.082 0.020 . 1 . . . . A 131 ALA HB3 . 36748 1 361 . 1 . 1 32 32 ALA C C 13 173.059 0.400 . 1 . . . . A 131 ALA C . 36748 1 362 . 1 . 1 32 32 ALA CA C 13 47.553 0.400 . 1 . . . . A 131 ALA CA . 36748 1 363 . 1 . 1 32 32 ALA CB C 13 19.861 0.400 . 1 . . . . A 131 ALA CB . 36748 1 364 . 1 . 1 33 33 ARG H H 1 8.418 0.020 . 1 . . . . A 132 ARG H . 36748 1 365 . 1 . 1 33 33 ARG HA H 1 5.130 0.020 . 1 . . . . A 132 ARG HA . 36748 1 366 . 1 . 1 33 33 ARG HB2 H 1 1.642 0.020 . 2 . . . . A 132 ARG HB2 . 36748 1 367 . 1 . 1 33 33 ARG HB3 H 1 1.535 0.020 . 2 . . . . A 132 ARG HB3 . 36748 1 368 . 1 . 1 33 33 ARG HD2 H 1 3.054 0.020 . 2 . . . . A 132 ARG HD2 . 36748 1 369 . 1 . 1 33 33 ARG HD3 H 1 3.164 0.020 . 2 . . . . A 132 ARG HD3 . 36748 1 370 . 1 . 1 33 33 ARG HG2 H 1 1.574 0.020 . 2 . . . . A 132 ARG HG2 . 36748 1 371 . 1 . 1 33 33 ARG HG3 H 1 1.391 0.020 . 2 . . . . A 132 ARG HG3 . 36748 1 372 . 1 . 1 33 33 ARG C C 13 172.827 0.400 . 1 . . . . A 132 ARG C . 36748 1 373 . 1 . 1 33 33 ARG CA C 13 52.123 0.400 . 1 . . . . A 132 ARG CA . 36748 1 374 . 1 . 1 33 33 ARG CB C 13 30.214 0.400 . 1 . . . . A 132 ARG CB . 36748 1 375 . 1 . 1 33 33 ARG CD C 13 40.591 0.400 . 1 . . . . A 132 ARG CD . 36748 1 376 . 1 . 1 33 33 ARG CG C 13 26.049 0.400 . 1 . . . . A 132 ARG CG . 36748 1 377 . 1 . 1 33 33 ARG N N 15 121.118 0.400 . 1 . . . . A 132 ARG N . 36748 1 378 . 1 . 1 34 34 ILE H H 1 8.989 0.020 . 1 . . . . A 133 ILE H . 36748 1 379 . 1 . 1 34 34 ILE HA H 1 4.599 0.020 . 1 . . . . A 133 ILE HA . 36748 1 380 . 1 . 1 34 34 ILE HB H 1 1.778 0.020 . 1 . . . . A 133 ILE HB . 36748 1 381 . 1 . 1 34 34 ILE HD11 H 1 0.789 0.020 . 1 . . . . A 133 ILE HD11 . 36748 1 382 . 1 . 1 34 34 ILE HD12 H 1 0.789 0.020 . 1 . . . . A 133 ILE HD12 . 36748 1 383 . 1 . 1 34 34 ILE HD13 H 1 0.789 0.020 . 1 . . . . A 133 ILE HD13 . 36748 1 384 . 1 . 1 34 34 ILE HG12 H 1 0.964 0.020 . 2 . . . . A 133 ILE HG12 . 36748 1 385 . 1 . 1 34 34 ILE HG13 H 1 1.422 0.020 . 2 . . . . A 133 ILE HG13 . 36748 1 386 . 1 . 1 34 34 ILE HG21 H 1 0.825 0.020 . 1 . . . . A 133 ILE HG21 . 36748 1 387 . 1 . 1 34 34 ILE HG22 H 1 0.825 0.020 . 1 . . . . A 133 ILE HG22 . 36748 1 388 . 1 . 1 34 34 ILE HG23 H 1 0.825 0.020 . 1 . . . . A 133 ILE HG23 . 36748 1 389 . 1 . 1 34 34 ILE C C 13 172.332 0.400 . 1 . . . . A 133 ILE C . 36748 1 390 . 1 . 1 34 34 ILE CA C 13 57.628 0.400 . 1 . . . . A 133 ILE CA . 36748 1 391 . 1 . 1 34 34 ILE CB C 13 37.550 0.400 . 1 . . . . A 133 ILE CB . 36748 1 392 . 1 . 1 34 34 ILE CD1 C 13 10.540 0.400 . 1 . . . . A 133 ILE CD1 . 36748 1 393 . 1 . 1 34 34 ILE CG1 C 13 25.013 0.400 . 1 . . . . A 133 ILE CG1 . 36748 1 394 . 1 . 1 34 34 ILE CG2 C 13 14.890 0.400 . 1 . . . . A 133 ILE CG2 . 36748 1 395 . 1 . 1 34 34 ILE N N 15 124.514 0.400 . 1 . . . . A 133 ILE N . 36748 1 396 . 1 . 1 35 35 ARG H H 1 8.666 0.020 . 1 . . . . A 134 ARG H . 36748 1 397 . 1 . 1 35 35 ARG HA H 1 4.724 0.020 . 1 . . . . A 134 ARG HA . 36748 1 398 . 1 . 1 35 35 ARG HB2 H 1 1.726 0.020 . 2 . . . . A 134 ARG HB2 . 36748 1 399 . 1 . 1 35 35 ARG HB3 H 1 1.825 0.020 . 2 . . . . A 134 ARG HB3 . 36748 1 400 . 1 . 1 35 35 ARG HD2 H 1 3.157 0.020 . 2 . . . . A 134 ARG HD2 . 36748 1 401 . 1 . 1 35 35 ARG HD3 H 1 3.157 0.020 . 2 . . . . A 134 ARG HD3 . 36748 1 402 . 1 . 1 35 35 ARG HG2 H 1 1.591 0.020 . 2 . . . . A 134 ARG HG2 . 36748 1 403 . 1 . 1 35 35 ARG HG3 H 1 1.591 0.020 . 2 . . . . A 134 ARG HG3 . 36748 1 404 . 1 . 1 35 35 ARG C C 13 172.235 0.400 . 1 . . . . A 134 ARG C . 36748 1 405 . 1 . 1 35 35 ARG CA C 13 52.701 0.400 . 1 . . . . A 134 ARG CA . 36748 1 406 . 1 . 1 35 35 ARG CB C 13 28.738 0.400 . 1 . . . . A 134 ARG CB . 36748 1 407 . 1 . 1 35 35 ARG CD C 13 40.844 0.400 . 1 . . . . A 134 ARG CD . 36748 1 408 . 1 . 1 35 35 ARG CG C 13 24.575 0.400 . 1 . . . . A 134 ARG CG . 36748 1 409 . 1 . 1 35 35 ARG N N 15 127.643 0.400 . 1 . . . . A 134 ARG N . 36748 1 410 . 1 . 1 36 36 ALA H H 1 8.559 0.020 . 1 . . . . A 135 ALA H . 36748 1 411 . 1 . 1 36 36 ALA HA H 1 4.625 0.020 . 1 . . . . A 135 ALA HA . 36748 1 412 . 1 . 1 36 36 ALA HB1 H 1 1.397 0.020 . 1 . . . . A 135 ALA HB1 . 36748 1 413 . 1 . 1 36 36 ALA HB2 H 1 1.397 0.020 . 1 . . . . A 135 ALA HB2 . 36748 1 414 . 1 . 1 36 36 ALA HB3 H 1 1.397 0.020 . 1 . . . . A 135 ALA HB3 . 36748 1 415 . 1 . 1 36 36 ALA C C 13 173.871 0.400 . 1 . . . . A 135 ALA C . 36748 1 416 . 1 . 1 36 36 ALA CA C 13 49.046 0.400 . 1 . . . . A 135 ALA CA . 36748 1 417 . 1 . 1 36 36 ALA CB C 13 18.173 0.400 . 1 . . . . A 135 ALA CB . 36748 1 418 . 1 . 1 36 36 ALA N N 15 128.213 0.400 . 1 . . . . A 135 ALA N . 36748 1 419 . 1 . 1 37 37 VAL H H 1 7.990 0.020 . 1 . . . . A 136 VAL H . 36748 1 420 . 1 . 1 37 37 VAL HA H 1 3.939 0.020 . 1 . . . . A 136 VAL HA . 36748 1 421 . 1 . 1 37 37 VAL HB H 1 2.072 0.020 . 1 . . . . A 136 VAL HB . 36748 1 422 . 1 . 1 37 37 VAL HG11 H 1 1.019 0.020 . 2 . . . . A 136 VAL HG11 . 36748 1 423 . 1 . 1 37 37 VAL HG12 H 1 1.019 0.020 . 2 . . . . A 136 VAL HG12 . 36748 1 424 . 1 . 1 37 37 VAL HG13 H 1 1.019 0.020 . 2 . . . . A 136 VAL HG13 . 36748 1 425 . 1 . 1 37 37 VAL HG21 H 1 0.966 0.020 . 2 . . . . A 136 VAL HG21 . 36748 1 426 . 1 . 1 37 37 VAL HG22 H 1 0.966 0.020 . 2 . . . . A 136 VAL HG22 . 36748 1 427 . 1 . 1 37 37 VAL HG23 H 1 0.966 0.020 . 2 . . . . A 136 VAL HG23 . 36748 1 428 . 1 . 1 37 37 VAL C C 13 174.155 0.400 . 1 . . . . A 136 VAL C . 36748 1 429 . 1 . 1 37 37 VAL CA C 13 60.861 0.400 . 1 . . . . A 136 VAL CA . 36748 1 430 . 1 . 1 37 37 VAL CB C 13 29.336 0.400 . 1 . . . . A 136 VAL CB . 36748 1 431 . 1 . 1 37 37 VAL CG1 C 13 18.587 0.400 . 2 . . . . A 136 VAL CG1 . 36748 1 432 . 1 . 1 37 37 VAL CG2 C 13 18.149 0.400 . 2 . . . . A 136 VAL CG2 . 36748 1 433 . 1 . 1 37 37 VAL N N 15 119.817 0.400 . 1 . . . . A 136 VAL N . 36748 1 434 . 1 . 1 38 38 GLY H H 1 8.637 0.020 . 1 . . . . A 137 GLY H . 36748 1 435 . 1 . 1 38 38 GLY HA2 H 1 4.097 0.020 . 2 . . . . A 137 GLY HA2 . 36748 1 436 . 1 . 1 38 38 GLY HA3 H 1 3.769 0.020 . 2 . . . . A 137 GLY HA3 . 36748 1 437 . 1 . 1 38 38 GLY C C 13 171.449 0.400 . 1 . . . . A 137 GLY C . 36748 1 438 . 1 . 1 38 38 GLY CA C 13 43.113 0.400 . 1 . . . . A 137 GLY CA . 36748 1 439 . 1 . 1 38 38 GLY N N 15 114.028 0.400 . 1 . . . . A 137 GLY N . 36748 1 440 . 1 . 1 39 39 LEU H H 1 8.213 0.020 . 1 . . . . A 138 LEU H . 36748 1 441 . 1 . 1 39 39 LEU HA H 1 4.505 0.020 . 1 . . . . A 138 LEU HA . 36748 1 442 . 1 . 1 39 39 LEU HB2 H 1 1.687 0.020 . 2 . . . . A 138 LEU HB2 . 36748 1 443 . 1 . 1 39 39 LEU HB3 H 1 1.687 0.020 . 2 . . . . A 138 LEU HB3 . 36748 1 444 . 1 . 1 39 39 LEU HD11 H 1 0.911 0.020 . 2 . . . . A 138 LEU HD11 . 36748 1 445 . 1 . 1 39 39 LEU HD12 H 1 0.911 0.020 . 2 . . . . A 138 LEU HD12 . 36748 1 446 . 1 . 1 39 39 LEU HD13 H 1 0.911 0.020 . 2 . . . . A 138 LEU HD13 . 36748 1 447 . 1 . 1 39 39 LEU HD21 H 1 0.884 0.020 . 2 . . . . A 138 LEU HD21 . 36748 1 448 . 1 . 1 39 39 LEU HD22 H 1 0.884 0.020 . 2 . . . . A 138 LEU HD22 . 36748 1 449 . 1 . 1 39 39 LEU HD23 H 1 0.884 0.020 . 2 . . . . A 138 LEU HD23 . 36748 1 450 . 1 . 1 39 39 LEU HG H 1 1.600 0.020 . 1 . . . . A 138 LEU HG . 36748 1 451 . 1 . 1 39 39 LEU C C 13 174.425 0.400 . 1 . . . . A 138 LEU C . 36748 1 452 . 1 . 1 39 39 LEU CA C 13 51.875 0.400 . 1 . . . . A 138 LEU CA . 36748 1 453 . 1 . 1 39 39 LEU CB C 13 40.204 0.400 . 1 . . . . A 138 LEU CB . 36748 1 454 . 1 . 1 39 39 LEU CD1 C 13 22.472 0.400 . 2 . . . . A 138 LEU CD1 . 36748 1 455 . 1 . 1 39 39 LEU CD2 C 13 20.467 0.400 . 2 . . . . A 138 LEU CD2 . 36748 1 456 . 1 . 1 39 39 LEU CG C 13 24.234 0.400 . 1 . . . . A 138 LEU CG . 36748 1 457 . 1 . 1 39 39 LEU N N 15 121.182 0.400 . 1 . . . . A 138 LEU N . 36748 1 458 . 1 . 1 40 40 LEU H H 1 7.877 0.020 . 1 . . . . A 139 LEU H . 36748 1 459 . 1 . 1 40 40 LEU HA H 1 4.435 0.020 . 1 . . . . A 139 LEU HA . 36748 1 460 . 1 . 1 40 40 LEU HB2 H 1 1.638 0.020 . 2 . . . . A 139 LEU HB2 . 36748 1 461 . 1 . 1 40 40 LEU HB3 H 1 1.638 0.020 . 2 . . . . A 139 LEU HB3 . 36748 1 462 . 1 . 1 40 40 LEU HD11 H 1 0.923 0.020 . 2 . . . . A 139 LEU HD11 . 36748 1 463 . 1 . 1 40 40 LEU HD12 H 1 0.923 0.020 . 2 . . . . A 139 LEU HD12 . 36748 1 464 . 1 . 1 40 40 LEU HD13 H 1 0.923 0.020 . 2 . . . . A 139 LEU HD13 . 36748 1 465 . 1 . 1 40 40 LEU HD21 H 1 0.975 0.020 . 2 . . . . A 139 LEU HD21 . 36748 1 466 . 1 . 1 40 40 LEU HD22 H 1 0.975 0.020 . 2 . . . . A 139 LEU HD22 . 36748 1 467 . 1 . 1 40 40 LEU HD23 H 1 0.975 0.020 . 2 . . . . A 139 LEU HD23 . 36748 1 468 . 1 . 1 40 40 LEU HG H 1 1.688 0.020 . 1 . . . . A 139 LEU HG . 36748 1 469 . 1 . 1 40 40 LEU C C 13 174.335 0.400 . 1 . . . . A 139 LEU C . 36748 1 470 . 1 . 1 40 40 LEU CA C 13 52.685 0.400 . 1 . . . . A 139 LEU CA . 36748 1 471 . 1 . 1 40 40 LEU CB C 13 39.888 0.400 . 1 . . . . A 139 LEU CB . 36748 1 472 . 1 . 1 40 40 LEU CD1 C 13 20.970 0.400 . 2 . . . . A 139 LEU CD1 . 36748 1 473 . 1 . 1 40 40 LEU CD2 C 13 22.274 0.400 . 2 . . . . A 139 LEU CD2 . 36748 1 474 . 1 . 1 40 40 LEU CG C 13 24.290 0.400 . 1 . . . . A 139 LEU CG . 36748 1 475 . 1 . 1 40 40 LEU N N 15 121.500 0.400 . 1 . . . . A 139 LEU N . 36748 1 476 . 1 . 1 41 41 THR H H 1 8.378 0.020 . 1 . . . . A 140 THR H . 36748 1 477 . 1 . 1 41 41 THR HA H 1 4.625 0.020 . 1 . . . . A 140 THR HA . 36748 1 478 . 1 . 1 41 41 THR HB H 1 3.990 0.020 . 1 . . . . A 140 THR HB . 36748 1 479 . 1 . 1 41 41 THR HG21 H 1 1.065 0.020 . 1 . . . . A 140 THR HG21 . 36748 1 480 . 1 . 1 41 41 THR HG22 H 1 1.065 0.020 . 1 . . . . A 140 THR HG22 . 36748 1 481 . 1 . 1 41 41 THR HG23 H 1 1.065 0.020 . 1 . . . . A 140 THR HG23 . 36748 1 482 . 1 . 1 41 41 THR C C 13 170.611 0.400 . 1 . . . . A 140 THR C . 36748 1 483 . 1 . 1 41 41 THR CA C 13 60.054 0.400 . 1 . . . . A 140 THR CA . 36748 1 484 . 1 . 1 41 41 THR CB C 13 67.320 0.400 . 1 . . . . A 140 THR CB . 36748 1 485 . 1 . 1 41 41 THR CG2 C 13 19.214 0.400 . 1 . . . . A 140 THR CG2 . 36748 1 486 . 1 . 1 41 41 THR N N 15 120.381 0.400 . 1 . . . . A 140 THR N . 36748 1 487 . 1 . 1 42 42 VAL H H 1 8.512 0.020 . 1 . . . . A 141 VAL H . 36748 1 488 . 1 . 1 42 42 VAL HA H 1 4.564 0.020 . 1 . . . . A 141 VAL HA . 36748 1 489 . 1 . 1 42 42 VAL HB H 1 1.832 0.020 . 1 . . . . A 141 VAL HB . 36748 1 490 . 1 . 1 42 42 VAL HG11 H 1 0.870 0.020 . 2 . . . . A 141 VAL HG11 . 36748 1 491 . 1 . 1 42 42 VAL HG12 H 1 0.870 0.020 . 2 . . . . A 141 VAL HG12 . 36748 1 492 . 1 . 1 42 42 VAL HG13 H 1 0.870 0.020 . 2 . . . . A 141 VAL HG13 . 36748 1 493 . 1 . 1 42 42 VAL HG21 H 1 0.807 0.020 . 2 . . . . A 141 VAL HG21 . 36748 1 494 . 1 . 1 42 42 VAL HG22 H 1 0.807 0.020 . 2 . . . . A 141 VAL HG22 . 36748 1 495 . 1 . 1 42 42 VAL HG23 H 1 0.807 0.020 . 2 . . . . A 141 VAL HG23 . 36748 1 496 . 1 . 1 42 42 VAL C C 13 172.376 0.400 . 1 . . . . A 141 VAL C . 36748 1 497 . 1 . 1 42 42 VAL CA C 13 58.331 0.400 . 1 . . . . A 141 VAL CA . 36748 1 498 . 1 . 1 42 42 VAL CB C 13 31.269 0.400 . 1 . . . . A 141 VAL CB . 36748 1 499 . 1 . 1 42 42 VAL CG1 C 13 17.711 0.400 . 2 . . . . A 141 VAL CG1 . 36748 1 500 . 1 . 1 42 42 VAL CG2 C 13 18.932 0.400 . 2 . . . . A 141 VAL CG2 . 36748 1 501 . 1 . 1 42 42 VAL N N 15 123.828 0.400 . 1 . . . . A 141 VAL N . 36748 1 502 . 1 . 1 43 43 ILE H H 1 9.420 0.020 . 1 . . . . A 142 ILE H . 36748 1 503 . 1 . 1 43 43 ILE HA H 1 4.989 0.020 . 1 . . . . A 142 ILE HA . 36748 1 504 . 1 . 1 43 43 ILE HB H 1 1.434 0.020 . 1 . . . . A 142 ILE HB . 36748 1 505 . 1 . 1 43 43 ILE HD11 H 1 0.619 0.020 . 1 . . . . A 142 ILE HD11 . 36748 1 506 . 1 . 1 43 43 ILE HD12 H 1 0.619 0.020 . 1 . . . . A 142 ILE HD12 . 36748 1 507 . 1 . 1 43 43 ILE HD13 H 1 0.619 0.020 . 1 . . . . A 142 ILE HD13 . 36748 1 508 . 1 . 1 43 43 ILE HG12 H 1 0.751 0.020 . 2 . . . . A 142 ILE HG12 . 36748 1 509 . 1 . 1 43 43 ILE HG13 H 1 1.461 0.020 . 2 . . . . A 142 ILE HG13 . 36748 1 510 . 1 . 1 43 43 ILE HG21 H 1 0.759 0.020 . 1 . . . . A 142 ILE HG21 . 36748 1 511 . 1 . 1 43 43 ILE HG22 H 1 0.759 0.020 . 1 . . . . A 142 ILE HG22 . 36748 1 512 . 1 . 1 43 43 ILE HG23 H 1 0.759 0.020 . 1 . . . . A 142 ILE HG23 . 36748 1 513 . 1 . 1 43 43 ILE C C 13 172.492 0.400 . 1 . . . . A 142 ILE C . 36748 1 514 . 1 . 1 43 43 ILE CA C 13 57.668 0.400 . 1 . . . . A 142 ILE CA . 36748 1 515 . 1 . 1 43 43 ILE CB C 13 39.440 0.400 . 1 . . . . A 142 ILE CB . 36748 1 516 . 1 . 1 43 43 ILE CD1 C 13 11.424 0.400 . 1 . . . . A 142 ILE CD1 . 36748 1 517 . 1 . 1 43 43 ILE CG1 C 13 24.978 0.400 . 1 . . . . A 142 ILE CG1 . 36748 1 518 . 1 . 1 43 43 ILE CG2 C 13 15.923 0.400 . 1 . . . . A 142 ILE CG2 . 36748 1 519 . 1 . 1 43 43 ILE N N 15 126.905 0.400 . 1 . . . . A 142 ILE N . 36748 1 520 . 1 . 1 44 44 SER H H 1 8.701 0.020 . 1 . . . . A 143 SER H . 36748 1 521 . 1 . 1 44 44 SER HA H 1 5.072 0.020 . 1 . . . . A 143 SER HA . 36748 1 522 . 1 . 1 44 44 SER HB2 H 1 4.356 0.020 . 2 . . . . A 143 SER HB2 . 36748 1 523 . 1 . 1 44 44 SER HB3 H 1 3.833 0.020 . 2 . . . . A 143 SER HB3 . 36748 1 524 . 1 . 1 44 44 SER C C 13 168.614 0.400 . 1 . . . . A 143 SER C . 36748 1 525 . 1 . 1 44 44 SER CA C 13 54.660 0.400 . 1 . . . . A 143 SER CA . 36748 1 526 . 1 . 1 44 44 SER CB C 13 64.522 0.400 . 1 . . . . A 143 SER CB . 36748 1 527 . 1 . 1 44 44 SER N N 15 119.124 0.400 . 1 . . . . A 143 SER N . 36748 1 528 . 1 . 1 45 45 LYS H H 1 9.146 0.020 . 1 . . . . A 144 LYS H . 36748 1 529 . 1 . 1 45 45 LYS HA H 1 4.086 0.020 . 1 . . . . A 144 LYS HA . 36748 1 530 . 1 . 1 45 45 LYS HD2 H 1 2.130 0.020 . 2 . . . . A 144 LYS HD2 . 36748 1 531 . 1 . 1 45 45 LYS HD3 H 1 2.101 0.020 . 2 . . . . A 144 LYS HD3 . 36748 1 532 . 1 . 1 45 45 LYS HG2 H 1 2.573 0.020 . 2 . . . . A 144 LYS HG2 . 36748 1 533 . 1 . 1 45 45 LYS HG3 H 1 2.539 0.020 . 2 . . . . A 144 LYS HG3 . 36748 1 534 . 1 . 1 45 45 LYS CA C 13 52.635 0.400 . 1 . . . . A 144 LYS CA . 36748 1 535 . 1 . 1 45 45 LYS CB C 13 36.467 0.400 . 1 . . . . A 144 LYS CB . 36748 1 536 . 1 . 1 45 45 LYS CD C 13 30.430 0.400 . 1 . . . . A 144 LYS CD . 36748 1 537 . 1 . 1 45 45 LYS CG C 13 29.117 0.400 . 1 . . . . A 144 LYS CG . 36748 1 538 . 1 . 1 45 45 LYS N N 15 121.956 0.400 . 1 . . . . A 144 LYS N . 36748 1 539 . 1 . 1 46 46 GLY HA2 H 1 4.357 0.020 . 2 . . . . A 145 GLY HA2 . 36748 1 540 . 1 . 1 46 46 GLY HA3 H 1 4.099 0.020 . 2 . . . . A 145 GLY HA3 . 36748 1 541 . 1 . 1 46 46 GLY C C 13 168.780 0.400 . 1 . . . . A 145 GLY C . 36748 1 542 . 1 . 1 46 46 GLY CA C 13 43.405 0.400 . 1 . . . . A 145 GLY CA . 36748 1 543 . 1 . 1 47 47 CYS H H 1 8.411 0.020 . 1 . . . . A 146 CYS H . 36748 1 544 . 1 . 1 47 47 CYS HA H 1 5.507 0.020 . 1 . . . . A 146 CYS HA . 36748 1 545 . 1 . 1 47 47 CYS HB2 H 1 2.873 0.020 . 1 . . . . A 146 CYS HB2 . 36748 1 546 . 1 . 1 47 47 CYS HB3 H 1 3.103 0.020 . 1 . . . . A 146 CYS HB3 . 36748 1 547 . 1 . 1 47 47 CYS C C 13 173.607 0.400 . 1 . . . . A 146 CYS C . 36748 1 548 . 1 . 1 47 47 CYS CA C 13 53.742 0.400 . 1 . . . . A 146 CYS CA . 36748 1 549 . 1 . 1 47 47 CYS CB C 13 43.590 0.400 . 1 . . . . A 146 CYS CB . 36748 1 550 . 1 . 1 47 47 CYS N N 15 120.310 0.400 . 1 . . . . A 146 CYS N . 36748 1 551 . 1 . 1 48 48 SER H H 1 9.404 0.020 . 1 . . . . A 147 SER H . 36748 1 552 . 1 . 1 48 48 SER HA H 1 4.682 0.020 . 1 . . . . A 147 SER HA . 36748 1 553 . 1 . 1 48 48 SER HB2 H 1 3.303 0.020 . 2 . . . . A 147 SER HB2 . 36748 1 554 . 1 . 1 48 48 SER HB3 H 1 3.303 0.020 . 2 . . . . A 147 SER HB3 . 36748 1 555 . 1 . 1 48 48 SER C C 13 171.939 0.400 . 1 . . . . A 147 SER C . 36748 1 556 . 1 . 1 48 48 SER CA C 13 55.498 0.400 . 1 . . . . A 147 SER CA . 36748 1 557 . 1 . 1 48 48 SER CB C 13 63.481 0.400 . 1 . . . . A 147 SER CB . 36748 1 558 . 1 . 1 48 48 SER N N 15 114.349 0.400 . 1 . . . . A 147 SER N . 36748 1 559 . 1 . 1 49 49 LEU H H 1 8.732 0.020 . 1 . . . . A 148 LEU H . 36748 1 560 . 1 . 1 49 49 LEU HA H 1 4.422 0.020 . 1 . . . . A 148 LEU HA . 36748 1 561 . 1 . 1 49 49 LEU HB2 H 1 1.604 0.020 . 2 . . . . A 148 LEU HB2 . 36748 1 562 . 1 . 1 49 49 LEU HB3 H 1 1.604 0.020 . 2 . . . . A 148 LEU HB3 . 36748 1 563 . 1 . 1 49 49 LEU HD11 H 1 0.865 0.020 . 2 . . . . A 148 LEU HD11 . 36748 1 564 . 1 . 1 49 49 LEU HD12 H 1 0.865 0.020 . 2 . . . . A 148 LEU HD12 . 36748 1 565 . 1 . 1 49 49 LEU HD13 H 1 0.865 0.020 . 2 . . . . A 148 LEU HD13 . 36748 1 566 . 1 . 1 49 49 LEU HD21 H 1 0.815 0.020 . 2 . . . . A 148 LEU HD21 . 36748 1 567 . 1 . 1 49 49 LEU HD22 H 1 0.815 0.020 . 2 . . . . A 148 LEU HD22 . 36748 1 568 . 1 . 1 49 49 LEU HD23 H 1 0.815 0.020 . 2 . . . . A 148 LEU HD23 . 36748 1 569 . 1 . 1 49 49 LEU HG H 1 1.611 0.020 . 1 . . . . A 148 LEU HG . 36748 1 570 . 1 . 1 49 49 LEU C C 13 174.001 0.400 . 1 . . . . A 148 LEU C . 36748 1 571 . 1 . 1 49 49 LEU CA C 13 52.949 0.400 . 1 . . . . A 148 LEU CA . 36748 1 572 . 1 . 1 49 49 LEU CB C 13 40.676 0.400 . 1 . . . . A 148 LEU CB . 36748 1 573 . 1 . 1 49 49 LEU CD1 C 13 22.134 0.400 . 2 . . . . A 148 LEU CD1 . 36748 1 574 . 1 . 1 49 49 LEU CD2 C 13 21.377 0.400 . 2 . . . . A 148 LEU CD2 . 36748 1 575 . 1 . 1 49 49 LEU CG C 13 24.298 0.400 . 1 . . . . A 148 LEU CG . 36748 1 576 . 1 . 1 49 49 LEU N N 15 127.368 0.400 . 1 . . . . A 148 LEU N . 36748 1 577 . 1 . 1 50 50 ASN H H 1 8.594 0.020 . 1 . . . . A 149 ASN H . 36748 1 578 . 1 . 1 50 50 ASN HA H 1 4.704 0.020 . 1 . . . . A 149 ASN HA . 36748 1 579 . 1 . 1 50 50 ASN HB2 H 1 2.808 0.020 . 1 . . . . A 149 ASN HB2 . 36748 1 580 . 1 . 1 50 50 ASN HB3 H 1 2.567 0.020 . 1 . . . . A 149 ASN HB3 . 36748 1 581 . 1 . 1 50 50 ASN C C 13 171.531 0.400 . 1 . . . . A 149 ASN C . 36748 1 582 . 1 . 1 50 50 ASN CA C 13 50.474 0.400 . 1 . . . . A 149 ASN CA . 36748 1 583 . 1 . 1 50 50 ASN CB C 13 35.834 0.400 . 1 . . . . A 149 ASN CB . 36748 1 584 . 1 . 1 50 50 ASN N N 15 119.068 0.400 . 1 . . . . A 149 ASN N . 36748 1 585 . 1 . 1 51 51 CYS H H 1 8.341 0.020 . 1 . . . . A 150 CYS H . 36748 1 586 . 1 . 1 51 51 CYS HA H 1 4.430 0.020 . 1 . . . . A 150 CYS HA . 36748 1 587 . 1 . 1 51 51 CYS HB2 H 1 3.264 0.020 . 2 . . . . A 150 CYS HB2 . 36748 1 588 . 1 . 1 51 51 CYS HB3 H 1 2.783 0.020 . 2 . . . . A 150 CYS HB3 . 36748 1 589 . 1 . 1 51 51 CYS C C 13 171.327 0.400 . 1 . . . . A 150 CYS C . 36748 1 590 . 1 . 1 51 51 CYS CA C 13 55.199 0.400 . 1 . . . . A 150 CYS CA . 36748 1 591 . 1 . 1 51 51 CYS CB C 13 39.127 0.400 . 1 . . . . A 150 CYS CB . 36748 1 592 . 1 . 1 51 51 CYS N N 15 120.743 0.400 . 1 . . . . A 150 CYS N . 36748 1 593 . 1 . 1 52 52 VAL H H 1 7.767 0.020 . 1 . . . . A 151 VAL H . 36748 1 594 . 1 . 1 52 52 VAL HA H 1 4.219 0.020 . 1 . . . . A 151 VAL HA . 36748 1 595 . 1 . 1 52 52 VAL HB H 1 2.040 0.020 . 1 . . . . A 151 VAL HB . 36748 1 596 . 1 . 1 52 52 VAL HG11 H 1 0.935 0.020 . 2 . . . . A 151 VAL HG11 . 36748 1 597 . 1 . 1 52 52 VAL HG12 H 1 0.935 0.020 . 2 . . . . A 151 VAL HG12 . 36748 1 598 . 1 . 1 52 52 VAL HG13 H 1 0.935 0.020 . 2 . . . . A 151 VAL HG13 . 36748 1 599 . 1 . 1 52 52 VAL HG21 H 1 0.902 0.020 . 2 . . . . A 151 VAL HG21 . 36748 1 600 . 1 . 1 52 52 VAL HG22 H 1 0.902 0.020 . 2 . . . . A 151 VAL HG22 . 36748 1 601 . 1 . 1 52 52 VAL HG23 H 1 0.902 0.020 . 2 . . . . A 151 VAL HG23 . 36748 1 602 . 1 . 1 52 52 VAL C C 13 172.079 0.400 . 1 . . . . A 151 VAL C . 36748 1 603 . 1 . 1 52 52 VAL CA C 13 59.052 0.400 . 1 . . . . A 151 VAL CA . 36748 1 604 . 1 . 1 52 52 VAL CB C 13 31.436 0.400 . 1 . . . . A 151 VAL CB . 36748 1 605 . 1 . 1 52 52 VAL CG1 C 13 18.472 0.400 . 2 . . . . A 151 VAL CG1 . 36748 1 606 . 1 . 1 52 52 VAL CG2 C 13 17.803 0.400 . 2 . . . . A 151 VAL CG2 . 36748 1 607 . 1 . 1 52 52 VAL N N 15 121.514 0.400 . 1 . . . . A 151 VAL N . 36748 1 608 . 1 . 1 53 53 ASP H H 1 8.298 0.020 . 1 . . . . A 152 ASP H . 36748 1 609 . 1 . 1 53 53 ASP HA H 1 4.599 0.020 . 1 . . . . A 152 ASP HA . 36748 1 610 . 1 . 1 53 53 ASP HB2 H 1 2.695 0.020 . 2 . . . . A 152 ASP HB2 . 36748 1 611 . 1 . 1 53 53 ASP HB3 H 1 2.584 0.020 . 2 . . . . A 152 ASP HB3 . 36748 1 612 . 1 . 1 53 53 ASP C C 13 173.047 0.400 . 1 . . . . A 152 ASP C . 36748 1 613 . 1 . 1 53 53 ASP CA C 13 51.581 0.400 . 1 . . . . A 152 ASP CA . 36748 1 614 . 1 . 1 53 53 ASP CB C 13 39.060 0.400 . 1 . . . . A 152 ASP CB . 36748 1 615 . 1 . 1 53 53 ASP N N 15 125.154 0.400 . 1 . . . . A 152 ASP N . 36748 1 616 . 1 . 1 54 54 ASP H H 1 8.417 0.020 . 1 . . . . A 153 ASP H . 36748 1 617 . 1 . 1 54 54 ASP HA H 1 4.769 0.020 . 1 . . . . A 153 ASP HA . 36748 1 618 . 1 . 1 54 54 ASP HB2 H 1 2.789 0.020 . 2 . . . . A 153 ASP HB2 . 36748 1 619 . 1 . 1 54 54 ASP HB3 H 1 2.670 0.020 . 2 . . . . A 153 ASP HB3 . 36748 1 620 . 1 . 1 54 54 ASP C C 13 173.618 0.400 . 1 . . . . A 153 ASP C . 36748 1 621 . 1 . 1 54 54 ASP CA C 13 51.268 0.400 . 1 . . . . A 153 ASP CA . 36748 1 622 . 1 . 1 54 54 ASP CB C 13 38.419 0.400 . 1 . . . . A 153 ASP CB . 36748 1 623 . 1 . 1 54 54 ASP N N 15 122.765 0.400 . 1 . . . . A 153 ASP N . 36748 1 624 . 1 . 1 55 55 SER H H 1 8.362 0.020 . 1 . . . . A 154 SER H . 36748 1 625 . 1 . 1 55 55 SER HA H 1 4.563 0.020 . 1 . . . . A 154 SER HA . 36748 1 626 . 1 . 1 55 55 SER HB2 H 1 3.943 0.020 . 2 . . . . A 154 SER HB2 . 36748 1 627 . 1 . 1 55 55 SER HB3 H 1 3.943 0.020 . 2 . . . . A 154 SER HB3 . 36748 1 628 . 1 . 1 55 55 SER C C 13 172.079 0.400 . 1 . . . . A 154 SER C . 36748 1 629 . 1 . 1 55 55 SER CA C 13 56.164 0.400 . 1 . . . . A 154 SER CA . 36748 1 630 . 1 . 1 55 55 SER CB C 13 61.495 0.400 . 1 . . . . A 154 SER CB . 36748 1 631 . 1 . 1 55 55 SER N N 15 116.711 0.400 . 1 . . . . A 154 SER N . 36748 1 632 . 1 . 1 56 56 GLN H H 1 8.493 0.020 . 1 . . . . A 155 GLN H . 36748 1 633 . 1 . 1 56 56 GLN HA H 1 4.398 0.020 . 1 . . . . A 155 GLN HA . 36748 1 634 . 1 . 1 56 56 GLN HB2 H 1 2.143 0.020 . 2 . . . . A 155 GLN HB2 . 36748 1 635 . 1 . 1 56 56 GLN HB3 H 1 1.973 0.020 . 2 . . . . A 155 GLN HB3 . 36748 1 636 . 1 . 1 56 56 GLN HG2 H 1 2.382 0.020 . 2 . . . . A 155 GLN HG2 . 36748 1 637 . 1 . 1 56 56 GLN HG3 H 1 2.382 0.020 . 2 . . . . A 155 GLN HG3 . 36748 1 638 . 1 . 1 56 56 GLN C C 13 173.047 0.400 . 1 . . . . A 155 GLN C . 36748 1 639 . 1 . 1 56 56 GLN CA C 13 53.393 0.400 . 1 . . . . A 155 GLN CA . 36748 1 640 . 1 . 1 56 56 GLN CB C 13 27.079 0.400 . 1 . . . . A 155 GLN CB . 36748 1 641 . 1 . 1 56 56 GLN CG C 13 31.437 0.400 . 1 . . . . A 155 GLN CG . 36748 1 642 . 1 . 1 56 56 GLN N N 15 121.515 0.400 . 1 . . . . A 155 GLN N . 36748 1 643 . 1 . 1 57 57 ASP H H 1 8.288 0.020 . 1 . . . . A 156 ASP H . 36748 1 644 . 1 . 1 57 57 ASP HA H 1 4.608 0.020 . 1 . . . . A 156 ASP HA . 36748 1 645 . 1 . 1 57 57 ASP HB2 H 1 2.660 0.020 . 2 . . . . A 156 ASP HB2 . 36748 1 646 . 1 . 1 57 57 ASP HB3 H 1 2.590 0.020 . 2 . . . . A 156 ASP HB3 . 36748 1 647 . 1 . 1 57 57 ASP C C 13 173.480 0.400 . 1 . . . . A 156 ASP C . 36748 1 648 . 1 . 1 57 57 ASP CA C 13 52.134 0.400 . 1 . . . . A 156 ASP CA . 36748 1 649 . 1 . 1 57 57 ASP CB C 13 38.686 0.400 . 1 . . . . A 156 ASP CB . 36748 1 650 . 1 . 1 57 57 ASP N N 15 120.535 0.400 . 1 . . . . A 156 ASP N . 36748 1 651 . 1 . 1 58 58 TYR H H 1 8.088 0.020 . 1 . . . . A 157 TYR H . 36748 1 652 . 1 . 1 58 58 TYR HA H 1 4.506 0.020 . 1 . . . . A 157 TYR HA . 36748 1 653 . 1 . 1 58 58 TYR HB2 H 1 2.941 0.020 . 2 . . . . A 157 TYR HB2 . 36748 1 654 . 1 . 1 58 58 TYR HB3 H 1 2.941 0.020 . 2 . . . . A 157 TYR HB3 . 36748 1 655 . 1 . 1 58 58 TYR HD1 H 1 6.994 0.020 . 1 . . . . A 157 TYR HD1 . 36748 1 656 . 1 . 1 58 58 TYR HD2 H 1 6.994 0.020 . 1 . . . . A 157 TYR HD2 . 36748 1 657 . 1 . 1 58 58 TYR HE1 H 1 6.821 0.020 . 1 . . . . A 157 TYR HE1 . 36748 1 658 . 1 . 1 58 58 TYR HE2 H 1 6.821 0.020 . 1 . . . . A 157 TYR HE2 . 36748 1 659 . 1 . 1 58 58 TYR C C 13 173.201 0.400 . 1 . . . . A 157 TYR C . 36748 1 660 . 1 . 1 58 58 TYR CA C 13 55.742 0.400 . 1 . . . . A 157 TYR CA . 36748 1 661 . 1 . 1 58 58 TYR CB C 13 36.118 0.400 . 1 . . . . A 157 TYR CB . 36748 1 662 . 1 . 1 58 58 TYR CD1 C 13 130.539 0.400 . 3 . . . . A 157 TYR CD1 . 36748 1 663 . 1 . 1 58 58 TYR CE1 C 13 115.664 0.400 . 3 . . . . A 157 TYR CE1 . 36748 1 664 . 1 . 1 58 58 TYR N N 15 121.021 0.400 . 1 . . . . A 157 TYR N . 36748 1 665 . 1 . 1 59 59 TYR H H 1 7.859 0.020 . 1 . . . . A 158 TYR H . 36748 1 666 . 1 . 1 59 59 TYR HA H 1 4.404 0.020 . 1 . . . . A 158 TYR HA . 36748 1 667 . 1 . 1 59 59 TYR HB2 H 1 3.106 0.020 . 2 . . . . A 158 TYR HB2 . 36748 1 668 . 1 . 1 59 59 TYR HB3 H 1 2.993 0.020 . 2 . . . . A 158 TYR HB3 . 36748 1 669 . 1 . 1 59 59 TYR HD1 H 1 7.089 0.020 . 1 . . . . A 158 TYR HD1 . 36748 1 670 . 1 . 1 59 59 TYR HD2 H 1 7.089 0.020 . 1 . . . . A 158 TYR HD2 . 36748 1 671 . 1 . 1 59 59 TYR HE1 H 1 6.864 0.020 . 1 . . . . A 158 TYR HE1 . 36748 1 672 . 1 . 1 59 59 TYR HE2 H 1 6.864 0.020 . 1 . . . . A 158 TYR HE2 . 36748 1 673 . 1 . 1 59 59 TYR C C 13 173.390 0.400 . 1 . . . . A 158 TYR C . 36748 1 674 . 1 . 1 59 59 TYR CA C 13 56.134 0.400 . 1 . . . . A 158 TYR CA . 36748 1 675 . 1 . 1 59 59 TYR CB C 13 35.705 0.400 . 1 . . . . A 158 TYR CB . 36748 1 676 . 1 . 1 59 59 TYR CD1 C 13 130.661 0.400 . 3 . . . . A 158 TYR CD1 . 36748 1 677 . 1 . 1 59 59 TYR CE1 C 13 115.686 0.400 . 3 . . . . A 158 TYR CE1 . 36748 1 678 . 1 . 1 59 59 TYR N N 15 120.455 0.400 . 1 . . . . A 158 TYR N . 36748 1 679 . 1 . 1 60 60 VAL H H 1 7.837 0.020 . 1 . . . . A 159 VAL H . 36748 1 680 . 1 . 1 60 60 VAL HA H 1 4.089 0.020 . 1 . . . . A 159 VAL HA . 36748 1 681 . 1 . 1 60 60 VAL HB H 1 2.161 0.020 . 1 . . . . A 159 VAL HB . 36748 1 682 . 1 . 1 60 60 VAL HG11 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG11 . 36748 1 683 . 1 . 1 60 60 VAL HG12 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG12 . 36748 1 684 . 1 . 1 60 60 VAL HG13 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG13 . 36748 1 685 . 1 . 1 60 60 VAL HG21 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG21 . 36748 1 686 . 1 . 1 60 60 VAL HG22 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG22 . 36748 1 687 . 1 . 1 60 60 VAL HG23 H 1 0.957 0.020 . 2 . . . . A 159 VAL HG23 . 36748 1 688 . 1 . 1 60 60 VAL C C 13 173.601 0.400 . 1 . . . . A 159 VAL C . 36748 1 689 . 1 . 1 60 60 VAL CA C 13 60.132 0.400 . 1 . . . . A 159 VAL CA . 36748 1 690 . 1 . 1 60 60 VAL CB C 13 29.404 0.400 . 1 . . . . A 159 VAL CB . 36748 1 691 . 1 . 1 60 60 VAL CG1 C 13 17.913 0.400 . 2 . . . . A 159 VAL CG1 . 36748 1 692 . 1 . 1 60 60 VAL CG2 C 13 18.396 0.400 . 2 . . . . A 159 VAL CG2 . 36748 1 693 . 1 . 1 60 60 VAL N N 15 118.412 0.400 . 1 . . . . A 159 VAL N . 36748 1 694 . 1 . 1 61 61 GLY H H 1 8.011 0.020 . 1 . . . . A 160 GLY H . 36748 1 695 . 1 . 1 61 61 GLY HA2 H 1 4.163 0.020 . 2 . . . . A 160 GLY HA2 . 36748 1 696 . 1 . 1 61 61 GLY HA3 H 1 3.919 0.020 . 2 . . . . A 160 GLY HA3 . 36748 1 697 . 1 . 1 61 61 GLY C C 13 170.818 0.400 . 1 . . . . A 160 GLY C . 36748 1 698 . 1 . 1 61 61 GLY CA C 13 42.594 0.400 . 1 . . . . A 160 GLY CA . 36748 1 699 . 1 . 1 61 61 GLY N N 15 110.892 0.400 . 1 . . . . A 160 GLY N . 36748 1 700 . 1 . 1 62 62 LYS H H 1 8.085 0.020 . 1 . . . . A 161 LYS H . 36748 1 701 . 1 . 1 62 62 LYS HA H 1 4.479 0.020 . 1 . . . . A 161 LYS HA . 36748 1 702 . 1 . 1 62 62 LYS HB2 H 1 1.830 0.020 . 2 . . . . A 161 LYS HB2 . 36748 1 703 . 1 . 1 62 62 LYS HB3 H 1 1.672 0.020 . 2 . . . . A 161 LYS HB3 . 36748 1 704 . 1 . 1 62 62 LYS HD2 H 1 1.661 0.020 . 2 . . . . A 161 LYS HD2 . 36748 1 705 . 1 . 1 62 62 LYS HD3 H 1 1.661 0.020 . 2 . . . . A 161 LYS HD3 . 36748 1 706 . 1 . 1 62 62 LYS HE2 H 1 2.993 0.020 . 2 . . . . A 161 LYS HE2 . 36748 1 707 . 1 . 1 62 62 LYS HE3 H 1 2.993 0.020 . 2 . . . . A 161 LYS HE3 . 36748 1 708 . 1 . 1 62 62 LYS HG2 H 1 1.401 0.020 . 2 . . . . A 161 LYS HG2 . 36748 1 709 . 1 . 1 62 62 LYS HG3 H 1 1.401 0.020 . 2 . . . . A 161 LYS HG3 . 36748 1 710 . 1 . 1 62 62 LYS CA C 13 53.417 0.400 . 1 . . . . A 161 LYS CA . 36748 1 711 . 1 . 1 62 62 LYS CB C 13 31.302 0.400 . 1 . . . . A 161 LYS CB . 36748 1 712 . 1 . 1 62 62 LYS CD C 13 26.502 0.400 . 1 . . . . A 161 LYS CD . 36748 1 713 . 1 . 1 62 62 LYS CE C 13 39.598 0.400 . 1 . . . . A 161 LYS CE . 36748 1 714 . 1 . 1 62 62 LYS CG C 13 22.197 0.400 . 1 . . . . A 161 LYS CG . 36748 1 715 . 1 . 1 62 62 LYS N N 15 120.384 0.400 . 1 . . . . A 161 LYS N . 36748 1 716 . 1 . 1 63 63 LYS H H 1 8.455 0.020 . 1 . . . . A 162 LYS H . 36748 1 717 . 1 . 1 63 63 LYS HA H 1 4.761 0.020 . 1 . . . . A 162 LYS HA . 36748 1 718 . 1 . 1 63 63 LYS HB2 H 1 1.739 0.020 . 2 . . . . A 162 LYS HB2 . 36748 1 719 . 1 . 1 63 63 LYS HB3 H 1 1.609 0.020 . 2 . . . . A 162 LYS HB3 . 36748 1 720 . 1 . 1 63 63 LYS HD2 H 1 1.617 0.020 . 2 . . . . A 162 LYS HD2 . 36748 1 721 . 1 . 1 63 63 LYS HD3 H 1 1.617 0.020 . 2 . . . . A 162 LYS HD3 . 36748 1 722 . 1 . 1 63 63 LYS HE2 H 1 2.862 0.020 . 2 . . . . A 162 LYS HE2 . 36748 1 723 . 1 . 1 63 63 LYS HE3 H 1 2.862 0.020 . 2 . . . . A 162 LYS HE3 . 36748 1 724 . 1 . 1 63 63 LYS HG2 H 1 1.320 0.020 . 2 . . . . A 162 LYS HG2 . 36748 1 725 . 1 . 1 63 63 LYS HG3 H 1 1.249 0.020 . 2 . . . . A 162 LYS HG3 . 36748 1 726 . 1 . 1 63 63 LYS C C 13 172.499 0.400 . 1 . . . . A 162 LYS C . 36748 1 727 . 1 . 1 63 63 LYS CA C 13 52.947 0.400 . 1 . . . . A 162 LYS CA . 36748 1 728 . 1 . 1 63 63 LYS CB C 13 31.882 0.400 . 1 . . . . A 162 LYS CB . 36748 1 729 . 1 . 1 63 63 LYS CD C 13 26.911 0.400 . 1 . . . . A 162 LYS CD . 36748 1 730 . 1 . 1 63 63 LYS CE C 13 39.253 0.400 . 1 . . . . A 162 LYS CE . 36748 1 731 . 1 . 1 63 63 LYS CG C 13 22.293 0.400 . 1 . . . . A 162 LYS CG . 36748 1 732 . 1 . 1 63 63 LYS N N 15 122.532 0.400 . 1 . . . . A 162 LYS N . 36748 1 733 . 1 . 1 64 64 ASN H H 1 8.688 0.020 . 1 . . . . A 163 ASN H . 36748 1 734 . 1 . 1 64 64 ASN HA H 1 5.072 0.020 . 1 . . . . A 163 ASN HA . 36748 1 735 . 1 . 1 64 64 ASN HB2 H 1 2.845 0.020 . 2 . . . . A 163 ASN HB2 . 36748 1 736 . 1 . 1 64 64 ASN HB3 H 1 2.758 0.020 . 2 . . . . A 163 ASN HB3 . 36748 1 737 . 1 . 1 64 64 ASN HD21 H 1 7.566 0.020 . 2 . . . . A 163 ASN HD21 . 36748 1 738 . 1 . 1 64 64 ASN HD22 H 1 6.773 0.020 . 2 . . . . A 163 ASN HD22 . 36748 1 739 . 1 . 1 64 64 ASN C C 13 171.533 0.400 . 1 . . . . A 163 ASN C . 36748 1 740 . 1 . 1 64 64 ASN CA C 13 50.717 0.400 . 1 . . . . A 163 ASN CA . 36748 1 741 . 1 . 1 64 64 ASN CB C 13 38.125 0.400 . 1 . . . . A 163 ASN CB . 36748 1 742 . 1 . 1 64 64 ASN N N 15 122.400 0.400 . 1 . . . . A 163 ASN N . 36748 1 743 . 1 . 1 64 64 ASN ND2 N 15 112.395 0.400 . 1 . . . . A 163 ASN ND2 . 36748 1 744 . 1 . 1 65 65 ILE H H 1 8.586 0.020 . 1 . . . . A 164 ILE H . 36748 1 745 . 1 . 1 65 65 ILE HA H 1 5.138 0.020 . 1 . . . . A 164 ILE HA . 36748 1 746 . 1 . 1 65 65 ILE HB H 1 1.812 0.020 . 1 . . . . A 164 ILE HB . 36748 1 747 . 1 . 1 65 65 ILE HD11 H 1 0.851 0.020 . 1 . . . . A 164 ILE HD11 . 36748 1 748 . 1 . 1 65 65 ILE HD12 H 1 0.851 0.020 . 1 . . . . A 164 ILE HD12 . 36748 1 749 . 1 . 1 65 65 ILE HD13 H 1 0.851 0.020 . 1 . . . . A 164 ILE HD13 . 36748 1 750 . 1 . 1 65 65 ILE HG12 H 1 1.523 0.020 . 2 . . . . A 164 ILE HG12 . 36748 1 751 . 1 . 1 65 65 ILE HG13 H 1 1.166 0.020 . 2 . . . . A 164 ILE HG13 . 36748 1 752 . 1 . 1 65 65 ILE HG21 H 1 0.956 0.020 . 1 . . . . A 164 ILE HG21 . 36748 1 753 . 1 . 1 65 65 ILE HG22 H 1 0.956 0.020 . 1 . . . . A 164 ILE HG22 . 36748 1 754 . 1 . 1 65 65 ILE HG23 H 1 0.956 0.020 . 1 . . . . A 164 ILE HG23 . 36748 1 755 . 1 . 1 65 65 ILE C C 13 172.765 0.400 . 1 . . . . A 164 ILE C . 36748 1 756 . 1 . 1 65 65 ILE CA C 13 57.124 0.400 . 1 . . . . A 164 ILE CA . 36748 1 757 . 1 . 1 65 65 ILE CB C 13 38.166 0.400 . 1 . . . . A 164 ILE CB . 36748 1 758 . 1 . 1 65 65 ILE CD1 C 13 10.831 0.400 . 1 . . . . A 164 ILE CD1 . 36748 1 759 . 1 . 1 65 65 ILE CG1 C 13 25.244 0.400 . 1 . . . . A 164 ILE CG1 . 36748 1 760 . 1 . 1 65 65 ILE CG2 C 13 15.461 0.400 . 1 . . . . A 164 ILE CG2 . 36748 1 761 . 1 . 1 65 65 ILE N N 15 124.456 0.400 . 1 . . . . A 164 ILE N . 36748 1 762 . 1 . 1 66 66 THR H H 1 8.726 0.020 . 1 . . . . A 165 THR H . 36748 1 763 . 1 . 1 66 66 THR HA H 1 4.782 0.020 . 1 . . . . A 165 THR HA . 36748 1 764 . 1 . 1 66 66 THR HB H 1 4.100 0.020 . 1 . . . . A 165 THR HB . 36748 1 765 . 1 . 1 66 66 THR HG21 H 1 1.188 0.020 . 1 . . . . A 165 THR HG21 . 36748 1 766 . 1 . 1 66 66 THR HG22 H 1 1.188 0.020 . 1 . . . . A 165 THR HG22 . 36748 1 767 . 1 . 1 66 66 THR HG23 H 1 1.188 0.020 . 1 . . . . A 165 THR HG23 . 36748 1 768 . 1 . 1 66 66 THR C C 13 170.882 0.400 . 1 . . . . A 165 THR C . 36748 1 769 . 1 . 1 66 66 THR CA C 13 57.874 0.400 . 1 . . . . A 165 THR CA . 36748 1 770 . 1 . 1 66 66 THR CB C 13 69.280 0.400 . 1 . . . . A 165 THR CB . 36748 1 771 . 1 . 1 66 66 THR CG2 C 13 19.121 0.400 . 1 . . . . A 165 THR CG2 . 36748 1 772 . 1 . 1 66 66 THR N N 15 119.190 0.400 . 1 . . . . A 165 THR N . 36748 1 773 . 1 . 1 67 67 CYS H H 1 8.745 0.020 . 1 . . . . A 166 CYS H . 36748 1 774 . 1 . 1 67 67 CYS HA H 1 5.909 0.020 . 1 . . . . A 166 CYS HA . 36748 1 775 . 1 . 1 67 67 CYS HB2 H 1 3.329 0.020 . 1 . . . . A 166 CYS HB2 . 36748 1 776 . 1 . 1 67 67 CYS HB3 H 1 3.068 0.020 . 1 . . . . A 166 CYS HB3 . 36748 1 777 . 1 . 1 67 67 CYS C C 13 170.576 0.400 . 1 . . . . A 166 CYS C . 36748 1 778 . 1 . 1 67 67 CYS CA C 13 51.407 0.400 . 1 . . . . A 166 CYS CA . 36748 1 779 . 1 . 1 67 67 CYS CB C 13 44.429 0.400 . 1 . . . . A 166 CYS CB . 36748 1 780 . 1 . 1 67 67 CYS N N 15 122.292 0.400 . 1 . . . . A 166 CYS N . 36748 1 781 . 1 . 1 68 68 CYS H H 1 9.480 0.020 . 1 . . . . A 167 CYS H . 36748 1 782 . 1 . 1 68 68 CYS HA H 1 5.123 0.020 . 1 . . . . A 167 CYS HA . 36748 1 783 . 1 . 1 68 68 CYS HB2 H 1 3.683 0.020 . 1 . . . . A 167 CYS HB2 . 36748 1 784 . 1 . 1 68 68 CYS HB3 H 1 3.389 0.020 . 1 . . . . A 167 CYS HB3 . 36748 1 785 . 1 . 1 68 68 CYS C C 13 171.023 0.400 . 1 . . . . A 167 CYS C . 36748 1 786 . 1 . 1 68 68 CYS CA C 13 53.026 0.400 . 1 . . . . A 167 CYS CA . 36748 1 787 . 1 . 1 68 68 CYS CB C 13 42.691 0.400 . 1 . . . . A 167 CYS CB . 36748 1 788 . 1 . 1 68 68 CYS N N 15 119.032 0.400 . 1 . . . . A 167 CYS N . 36748 1 789 . 1 . 1 69 69 ASP H H 1 8.425 0.020 . 1 . . . . A 168 ASP H . 36748 1 790 . 1 . 1 69 69 ASP HA H 1 4.976 0.020 . 1 . . . . A 168 ASP HA . 36748 1 791 . 1 . 1 69 69 ASP HB2 H 1 3.115 0.020 . 2 . . . . A 168 ASP HB2 . 36748 1 792 . 1 . 1 69 69 ASP HB3 H 1 2.597 0.020 . 2 . . . . A 168 ASP HB3 . 36748 1 793 . 1 . 1 69 69 ASP C C 13 172.789 0.400 . 1 . . . . A 168 ASP C . 36748 1 794 . 1 . 1 69 69 ASP CA C 13 51.446 0.400 . 1 . . . . A 168 ASP CA . 36748 1 795 . 1 . 1 69 69 ASP CB C 13 38.861 0.400 . 1 . . . . A 168 ASP CB . 36748 1 796 . 1 . 1 69 69 ASP N N 15 119.673 0.400 . 1 . . . . A 168 ASP N . 36748 1 797 . 1 . 1 70 70 THR H H 1 7.575 0.020 . 1 . . . . A 169 THR H . 36748 1 798 . 1 . 1 70 70 THR HA H 1 4.748 0.020 . 1 . . . . A 169 THR HA . 36748 1 799 . 1 . 1 70 70 THR HB H 1 4.304 0.020 . 1 . . . . A 169 THR HB . 36748 1 800 . 1 . 1 70 70 THR HG21 H 1 1.257 0.020 . 1 . . . . A 169 THR HG21 . 36748 1 801 . 1 . 1 70 70 THR HG22 H 1 1.257 0.020 . 1 . . . . A 169 THR HG22 . 36748 1 802 . 1 . 1 70 70 THR HG23 H 1 1.257 0.020 . 1 . . . . A 169 THR HG23 . 36748 1 803 . 1 . 1 70 70 THR C C 13 171.281 0.400 . 1 . . . . A 169 THR C . 36748 1 804 . 1 . 1 70 70 THR CA C 13 57.668 0.400 . 1 . . . . A 169 THR CA . 36748 1 805 . 1 . 1 70 70 THR CB C 13 69.781 0.400 . 1 . . . . A 169 THR CB . 36748 1 806 . 1 . 1 70 70 THR CG2 C 13 19.367 0.400 . 1 . . . . A 169 THR CG2 . 36748 1 807 . 1 . 1 70 70 THR N N 15 109.598 0.400 . 1 . . . . A 169 THR N . 36748 1 808 . 1 . 1 71 71 ASP H H 1 8.202 0.020 . 1 . . . . A 170 ASP H . 36748 1 809 . 1 . 1 71 71 ASP HA H 1 4.840 0.020 . 1 . . . . A 170 ASP HA . 36748 1 810 . 1 . 1 71 71 ASP HB2 H 1 2.521 0.020 . 2 . . . . A 170 ASP HB2 . 36748 1 811 . 1 . 1 71 71 ASP HB3 H 1 2.390 0.020 . 2 . . . . A 170 ASP HB3 . 36748 1 812 . 1 . 1 71 71 ASP C C 13 175.405 0.400 . 1 . . . . A 170 ASP C . 36748 1 813 . 1 . 1 71 71 ASP CA C 13 53.450 0.400 . 1 . . . . A 170 ASP CA . 36748 1 814 . 1 . 1 71 71 ASP CB C 13 38.653 0.400 . 1 . . . . A 170 ASP CB . 36748 1 815 . 1 . 1 71 71 ASP N N 15 119.750 0.400 . 1 . . . . A 170 ASP N . 36748 1 816 . 1 . 1 72 72 LEU H H 1 9.785 0.020 . 1 . . . . A 171 LEU H . 36748 1 817 . 1 . 1 72 72 LEU HA H 1 3.445 0.020 . 1 . . . . A 171 LEU HA . 36748 1 818 . 1 . 1 72 72 LEU HB2 H 1 1.941 0.020 . 2 . . . . A 171 LEU HB2 . 36748 1 819 . 1 . 1 72 72 LEU HB3 H 1 1.568 0.020 . 2 . . . . A 171 LEU HB3 . 36748 1 820 . 1 . 1 72 72 LEU HD11 H 1 0.768 0.020 . 2 . . . . A 171 LEU HD11 . 36748 1 821 . 1 . 1 72 72 LEU HD12 H 1 0.768 0.020 . 2 . . . . A 171 LEU HD12 . 36748 1 822 . 1 . 1 72 72 LEU HD13 H 1 0.768 0.020 . 2 . . . . A 171 LEU HD13 . 36748 1 823 . 1 . 1 72 72 LEU HD21 H 1 -0.050 0.020 . 2 . . . . A 171 LEU HD21 . 36748 1 824 . 1 . 1 72 72 LEU HD22 H 1 -0.050 0.020 . 2 . . . . A 171 LEU HD22 . 36748 1 825 . 1 . 1 72 72 LEU HD23 H 1 -0.050 0.020 . 2 . . . . A 171 LEU HD23 . 36748 1 826 . 1 . 1 72 72 LEU HG H 1 1.165 0.020 . 1 . . . . A 171 LEU HG . 36748 1 827 . 1 . 1 72 72 LEU C C 13 174.657 0.400 . 1 . . . . A 171 LEU C . 36748 1 828 . 1 . 1 72 72 LEU CA C 13 52.820 0.400 . 1 . . . . A 171 LEU CA . 36748 1 829 . 1 . 1 72 72 LEU CB C 13 34.288 0.400 . 1 . . . . A 171 LEU CB . 36748 1 830 . 1 . 1 72 72 LEU CD1 C 13 22.385 0.400 . 2 . . . . A 171 LEU CD1 . 36748 1 831 . 1 . 1 72 72 LEU CD2 C 13 18.986 0.400 . 2 . . . . A 171 LEU CD2 . 36748 1 832 . 1 . 1 72 72 LEU CG C 13 23.940 0.400 . 1 . . . . A 171 LEU CG . 36748 1 833 . 1 . 1 72 72 LEU N N 15 115.536 0.400 . 1 . . . . A 171 LEU N . 36748 1 834 . 1 . 1 73 73 CYS H H 1 8.120 0.020 . 1 . . . . A 172 CYS H . 36748 1 835 . 1 . 1 73 73 CYS HA H 1 4.544 0.020 . 1 . . . . A 172 CYS HA . 36748 1 836 . 1 . 1 73 73 CYS HB2 H 1 3.376 0.020 . 1 . . . . A 172 CYS HB2 . 36748 1 837 . 1 . 1 73 73 CYS HB3 H 1 3.928 0.020 . 1 . . . . A 172 CYS HB3 . 36748 1 838 . 1 . 1 73 73 CYS C C 13 173.188 0.400 . 1 . . . . A 172 CYS C . 36748 1 839 . 1 . 1 73 73 CYS CA C 13 54.815 0.400 . 1 . . . . A 172 CYS CA . 36748 1 840 . 1 . 1 73 73 CYS CB C 13 42.461 0.400 . 1 . . . . A 172 CYS CB . 36748 1 841 . 1 . 1 73 73 CYS N N 15 113.312 0.400 . 1 . . . . A 172 CYS N . 36748 1 842 . 1 . 1 74 74 ASN H H 1 8.831 0.020 . 1 . . . . A 173 ASN H . 36748 1 843 . 1 . 1 74 74 ASN HA H 1 4.922 0.020 . 1 . . . . A 173 ASN HA . 36748 1 844 . 1 . 1 74 74 ASN HB2 H 1 3.265 0.020 . 1 . . . . A 173 ASN HB2 . 36748 1 845 . 1 . 1 74 74 ASN HB3 H 1 2.445 0.020 . 1 . . . . A 173 ASN HB3 . 36748 1 846 . 1 . 1 74 74 ASN HD21 H 1 7.015 0.020 . 1 . . . . A 173 ASN HD21 . 36748 1 847 . 1 . 1 74 74 ASN HD22 H 1 7.669 0.020 . 1 . . . . A 173 ASN HD22 . 36748 1 848 . 1 . 1 74 74 ASN C C 13 172.286 0.400 . 1 . . . . A 173 ASN C . 36748 1 849 . 1 . 1 74 74 ASN CA C 13 49.783 0.400 . 1 . . . . A 173 ASN CA . 36748 1 850 . 1 . 1 74 74 ASN CB C 13 32.749 0.400 . 1 . . . . A 173 ASN CB . 36748 1 851 . 1 . 1 74 74 ASN N N 15 122.829 0.400 . 1 . . . . A 173 ASN N . 36748 1 852 . 1 . 1 74 74 ASN ND2 N 15 110.503 0.400 . 1 . . . . A 173 ASN ND2 . 36748 1 853 . 1 . 1 75 75 ALA H H 1 7.333 0.020 . 1 . . . . A 174 ALA H . 36748 1 854 . 1 . 1 75 75 ALA HA H 1 3.886 0.020 . 1 . . . . A 174 ALA HA . 36748 1 855 . 1 . 1 75 75 ALA HB1 H 1 1.557 0.020 . 1 . . . . A 174 ALA HB1 . 36748 1 856 . 1 . 1 75 75 ALA HB2 H 1 1.557 0.020 . 1 . . . . A 174 ALA HB2 . 36748 1 857 . 1 . 1 75 75 ALA HB3 H 1 1.557 0.020 . 1 . . . . A 174 ALA HB3 . 36748 1 858 . 1 . 1 75 75 ALA C C 13 174.812 0.400 . 1 . . . . A 174 ALA C . 36748 1 859 . 1 . 1 75 75 ALA CA C 13 51.268 0.400 . 1 . . . . A 174 ALA CA . 36748 1 860 . 1 . 1 75 75 ALA CB C 13 17.839 0.400 . 1 . . . . A 174 ALA CB . 36748 1 861 . 1 . 1 75 75 ALA N N 15 121.682 0.400 . 1 . . . . A 174 ALA N . 36748 1 862 . 1 . 1 76 76 SER H H 1 7.927 0.020 . 1 . . . . A 175 SER H . 36748 1 863 . 1 . 1 76 76 SER HA H 1 4.120 0.020 . 1 . . . . A 175 SER HA . 36748 1 864 . 1 . 1 76 76 SER HB2 H 1 3.823 0.020 . 2 . . . . A 175 SER HB2 . 36748 1 865 . 1 . 1 76 76 SER HB3 H 1 3.823 0.020 . 2 . . . . A 175 SER HB3 . 36748 1 866 . 1 . 1 76 76 SER CA C 13 57.498 0.400 . 1 . . . . A 175 SER CA . 36748 1 867 . 1 . 1 76 76 SER CB C 13 61.879 0.400 . 1 . . . . A 175 SER CB . 36748 1 868 . 1 . 1 76 76 SER N N 15 118.247 0.400 . 1 . . . . A 175 SER N . 36748 1 stop_ save_