data_10038 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10038 _Entry.Title ; Solution structure of zf-C2H2 domains from human Zinc finger protein 295 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-02 _Entry.Accession_date 2006-11-02 _Entry.Last_release_date 2008-08-12 _Entry.Original_release_date 2008-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10038 2 T. Kigawa . . . 10038 3 K. Saito . . . 10038 4 S. Koshiba . . . 10038 5 M. Inoue . . . 10038 6 S. Yokoyama . . . 10038 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10038 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10038 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 10038 '15N chemical shifts' 106 10038 '1H chemical shifts' 689 10038 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 . . 2008-08-12 2006-11-02 original author . 10038 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJP 'BMRB Entry Tracking System' 10038 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10038 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of zf-C2H2 domains from human Zinc finger protein 295' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10038 1 2 T. Kigawa . . . 10038 1 3 K. Saito . . . 10038 1 4 S. Koshiba . . . 10038 1 5 M. Inoue . . . 10038 1 6 S. Yokoyama . . . 10038 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10038 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 295' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Zinc finger protein 295' 1 $entity_1 . . yes native no no . . . 10038 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10038 1 3 'ZINC (II) ION, 2' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10038 1 4 'ZINC (II) ION, 3' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10038 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 1 . 1 CYS 19 19 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 2 coordination SING . 1 . 1 CYS 22 22 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 3 coordination SING . 1 . 1 HIS 35 35 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 4 coordination SING . 1 . 1 CYS 39 39 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 5 coordination SING . 1 . 1 CYS 45 45 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 6 coordination SING . 1 . 1 CYS 48 48 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 7 coordination SING . 1 . 1 HIS 61 61 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 8 coordination SING . 1 . 1 CYS 65 65 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 9 coordination SING . 1 . 1 CYS 72 72 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 10 coordination SING . 1 . 1 CYS 75 75 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 11 coordination SING . 1 . 1 HIS 88 88 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 1 12 coordination SING . 1 . 1 HIS 93 93 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 10038 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 HIS 88 88 HE2 . . . . 10038 1 . . 1 1 HIS 93 93 HE2 . . . . 10038 1 . . 1 1 CYS 72 72 HG . . . . 10038 1 . . 1 1 CYS 75 75 HG . . . . 10038 1 . . 1 1 HIS 61 61 HE2 . . . . 10038 1 . . 1 1 CYS 65 65 HG . . . . 10038 1 . . 1 1 CYS 45 45 HG . . . . 10038 1 . . 1 1 CYS 48 48 HG . . . . 10038 1 . . 1 1 HIS 35 35 HE2 . . . . 10038 1 . . 1 1 CYS 39 39 HG . . . . 10038 1 . . 1 1 CYS 19 19 HG . . . . 10038 1 . . 1 1 CYS 22 22 HG . . . . 10038 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WJP . . . . . . 10038 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10038 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-C2H2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGASPVENKEVYQCR LCNAKLSSLLEQGSHERLCR NAAVCPYCSLRFFSPELKQE HESKCEYKKLTCLECMRTFK SSFSIWRHQVEVHNQNNMAP TSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WJP . "Solution Structure Of Zf-C2h2 Domains From Human Zinc Finger Protein 295" . . . . . 100.00 107 100.00 100.00 4.07e-71 . . . . 10038 1 2 no DBJ BAA86541 . "KIAA1227 protein [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 3 no DBJ BAA95529 . "ZNF295 [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 4 no DBJ BAD74063 . "zinc finger protein long form [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 5 no DBJ BAD74064 . "zinc finger protein short form [Homo sapiens]" . . . . . 67.29 865 98.61 98.61 2.36e-42 . . . . 10038 1 6 no DBJ BAE02111 . "unnamed protein product [Macaca fascicularis]" . . . . . 87.85 500 100.00 100.00 2.86e-58 . . . . 10038 1 7 no GB AAH63290 . "Zinc finger protein 295 [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 8 no GB AIC56336 . "ZNF295, partial [synthetic construct]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 9 no GB EAX09579 . "zinc finger protein 295, isoform CRA_a [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 10 no GB EAX09580 . "zinc finger protein 295, isoform CRA_a [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 11 no GB EAX09581 . "zinc finger protein 295, isoform CRA_a [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 12 no REF NP_001091872 . "zinc finger and BTB domain-containing protein 21 isoform L [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 13 no REF NP_001091873 . "zinc finger and BTB domain-containing protein 21 isoform S [Homo sapiens]" . . . . . 67.29 865 98.61 98.61 2.36e-42 . . . . 10038 1 14 no REF NP_065778 . "zinc finger and BTB domain-containing protein 21 isoform L [Homo sapiens]" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 15 no REF XP_001106387 . "PREDICTED: zinc finger protein 295-like isoform 1 [Macaca mulatta]" . . . . . 67.29 865 98.61 98.61 2.51e-42 . . . . 10038 1 16 no REF XP_001106513 . "PREDICTED: zinc finger protein 295-like isoform 3 [Macaca mulatta]" . . . . . 87.85 1066 100.00 100.00 1.56e-57 . . . . 10038 1 17 no SP Q9ULJ3 . "RecName: Full=Zinc finger and BTB domain-containing protein 21; AltName: Full=Zinc finger protein 295" . . . . . 87.85 1066 100.00 100.00 1.53e-57 . . . . 10038 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zf-C2H2 domain' . 10038 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10038 1 2 . SER . 10038 1 3 . SER . 10038 1 4 . GLY . 10038 1 5 . SER . 10038 1 6 . SER . 10038 1 7 . GLY . 10038 1 8 . ALA . 10038 1 9 . SER . 10038 1 10 . PRO . 10038 1 11 . VAL . 10038 1 12 . GLU . 10038 1 13 . ASN . 10038 1 14 . LYS . 10038 1 15 . GLU . 10038 1 16 . VAL . 10038 1 17 . TYR . 10038 1 18 . GLN . 10038 1 19 . CYS . 10038 1 20 . ARG . 10038 1 21 . LEU . 10038 1 22 . CYS . 10038 1 23 . ASN . 10038 1 24 . ALA . 10038 1 25 . LYS . 10038 1 26 . LEU . 10038 1 27 . SER . 10038 1 28 . SER . 10038 1 29 . LEU . 10038 1 30 . LEU . 10038 1 31 . GLU . 10038 1 32 . GLN . 10038 1 33 . GLY . 10038 1 34 . SER . 10038 1 35 . HIS . 10038 1 36 . GLU . 10038 1 37 . ARG . 10038 1 38 . LEU . 10038 1 39 . CYS . 10038 1 40 . ARG . 10038 1 41 . ASN . 10038 1 42 . ALA . 10038 1 43 . ALA . 10038 1 44 . VAL . 10038 1 45 . CYS . 10038 1 46 . PRO . 10038 1 47 . TYR . 10038 1 48 . CYS . 10038 1 49 . SER . 10038 1 50 . LEU . 10038 1 51 . ARG . 10038 1 52 . PHE . 10038 1 53 . PHE . 10038 1 54 . SER . 10038 1 55 . PRO . 10038 1 56 . GLU . 10038 1 57 . LEU . 10038 1 58 . LYS . 10038 1 59 . GLN . 10038 1 60 . GLU . 10038 1 61 . HIS . 10038 1 62 . GLU . 10038 1 63 . SER . 10038 1 64 . LYS . 10038 1 65 . CYS . 10038 1 66 . GLU . 10038 1 67 . TYR . 10038 1 68 . LYS . 10038 1 69 . LYS . 10038 1 70 . LEU . 10038 1 71 . THR . 10038 1 72 . CYS . 10038 1 73 . LEU . 10038 1 74 . GLU . 10038 1 75 . CYS . 10038 1 76 . MET . 10038 1 77 . ARG . 10038 1 78 . THR . 10038 1 79 . PHE . 10038 1 80 . LYS . 10038 1 81 . SER . 10038 1 82 . SER . 10038 1 83 . PHE . 10038 1 84 . SER . 10038 1 85 . ILE . 10038 1 86 . TRP . 10038 1 87 . ARG . 10038 1 88 . HIS . 10038 1 89 . GLN . 10038 1 90 . VAL . 10038 1 91 . GLU . 10038 1 92 . VAL . 10038 1 93 . HIS . 10038 1 94 . ASN . 10038 1 95 . GLN . 10038 1 96 . ASN . 10038 1 97 . ASN . 10038 1 98 . MET . 10038 1 99 . ALA . 10038 1 100 . PRO . 10038 1 101 . THR . 10038 1 102 . SER . 10038 1 103 . GLY . 10038 1 104 . PRO . 10038 1 105 . SER . 10038 1 106 . SER . 10038 1 107 . GLY . 10038 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 . GLY 1 1 10038 1 . SER 2 2 10038 1 . SER 3 3 10038 1 . GLY 4 4 10038 1 . SER 5 5 10038 1 . SER 6 6 10038 1 . GLY 7 7 10038 1 . ALA 8 8 10038 1 . SER 9 9 10038 1 . PRO 10 10 10038 1 . VAL 11 11 10038 1 . GLU 12 12 10038 1 . ASN 13 13 10038 1 . LYS 14 14 10038 1 . GLU 15 15 10038 1 . VAL 16 16 10038 1 . TYR 17 17 10038 1 . GLN 18 18 10038 1 . CYS 19 19 10038 1 . ARG 20 20 10038 1 . LEU 21 21 10038 1 . CYS 22 22 10038 1 . ASN 23 23 10038 1 . ALA 24 24 10038 1 . LYS 25 25 10038 1 . LEU 26 26 10038 1 . SER 27 27 10038 1 . SER 28 28 10038 1 . LEU 29 29 10038 1 . LEU 30 30 10038 1 . GLU 31 31 10038 1 . GLN 32 32 10038 1 . GLY 33 33 10038 1 . SER 34 34 10038 1 . HIS 35 35 10038 1 . GLU 36 36 10038 1 . ARG 37 37 10038 1 . LEU 38 38 10038 1 . CYS 39 39 10038 1 . ARG 40 40 10038 1 . ASN 41 41 10038 1 . ALA 42 42 10038 1 . ALA 43 43 10038 1 . VAL 44 44 10038 1 . CYS 45 45 10038 1 . PRO 46 46 10038 1 . TYR 47 47 10038 1 . CYS 48 48 10038 1 . SER 49 49 10038 1 . LEU 50 50 10038 1 . ARG 51 51 10038 1 . PHE 52 52 10038 1 . PHE 53 53 10038 1 . SER 54 54 10038 1 . PRO 55 55 10038 1 . GLU 56 56 10038 1 . LEU 57 57 10038 1 . LYS 58 58 10038 1 . GLN 59 59 10038 1 . GLU 60 60 10038 1 . HIS 61 61 10038 1 . GLU 62 62 10038 1 . SER 63 63 10038 1 . LYS 64 64 10038 1 . CYS 65 65 10038 1 . GLU 66 66 10038 1 . TYR 67 67 10038 1 . LYS 68 68 10038 1 . LYS 69 69 10038 1 . LEU 70 70 10038 1 . THR 71 71 10038 1 . CYS 72 72 10038 1 . LEU 73 73 10038 1 . GLU 74 74 10038 1 . CYS 75 75 10038 1 . MET 76 76 10038 1 . ARG 77 77 10038 1 . THR 78 78 10038 1 . PHE 79 79 10038 1 . LYS 80 80 10038 1 . SER 81 81 10038 1 . SER 82 82 10038 1 . PHE 83 83 10038 1 . SER 84 84 10038 1 . ILE 85 85 10038 1 . TRP 86 86 10038 1 . ARG 87 87 10038 1 . HIS 88 88 10038 1 . GLN 89 89 10038 1 . VAL 90 90 10038 1 . GLU 91 91 10038 1 . VAL 92 92 10038 1 . HIS 93 93 10038 1 . ASN 94 94 10038 1 . GLN 95 95 10038 1 . ASN 96 96 10038 1 . ASN 97 97 10038 1 . MET 98 98 10038 1 . ALA 99 99 10038 1 . PRO 100 100 10038 1 . THR 101 101 10038 1 . SER 102 102 10038 1 . GLY 103 103 10038 1 . PRO 104 104 10038 1 . SER 105 105 10038 1 . SER 106 106 10038 1 . GLY 107 107 10038 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10038 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 10038 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10038 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10038 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 10038 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040126-28 . . . . . . 10038 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 10038 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:14:20 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 10038 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10038 ZN [Zn++] SMILES CACTVS 3.341 10038 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10038 ZN [Zn+2] SMILES ACDLabs 10.04 10038 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10038 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10038 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 10038 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10038 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 10038 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10038 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'zf-C2H2 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.03 . . mM . . . . 10038 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10038 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10038 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10038 1 5 ZnCl2 . . . . . . . 0.01 . . mM . . . . 10038 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 10038 1 7 H2O . . . . . . solvent 90 . . % . . . . 10038 1 8 D2O . . . . . . solvent 10 . . % . . . . 10038 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10038 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10038 1 pH 7.0 0.05 pH 10038 1 pressure 1 0.001 atm 10038 1 temperature 298 0.1 K 10038 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10038 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10038 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10038 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10038 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10038 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10038 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10038 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10038 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10038 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10038 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10038 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10038 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10038 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10038 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10038 5 'structure solution' 10038 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10038 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10038 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10038 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10038 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10038 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10038 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_15N-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10038 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10038 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10038 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10038 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10038 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_13C-separated_NOESY 1 $sample_1 isotropic 10038 1 2 3D_15N-separated_NOESY 1 $sample_1 isotropic 10038 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.510 0.030 . 1 . . . . 6 SER HA . 10038 1 2 . 1 1 6 6 SER HB2 H 1 3.911 0.030 . 2 . . . . 6 SER HB2 . 10038 1 3 . 1 1 6 6 SER HB3 H 1 3.951 0.030 . 2 . . . . 6 SER HB3 . 10038 1 4 . 1 1 6 6 SER C C 13 175.043 0.300 . 1 . . . . 6 SER C . 10038 1 5 . 1 1 6 6 SER CA C 13 58.699 0.300 . 1 . . . . 6 SER CA . 10038 1 6 . 1 1 6 6 SER CB C 13 63.777 0.300 . 1 . . . . 6 SER CB . 10038 1 7 . 1 1 7 7 GLY H H 1 8.402 0.030 . 1 . . . . 7 GLY H . 10038 1 8 . 1 1 7 7 GLY HA2 H 1 3.986 0.030 . 1 . . . . 7 GLY HA2 . 10038 1 9 . 1 1 7 7 GLY HA3 H 1 3.986 0.030 . 1 . . . . 7 GLY HA3 . 10038 1 10 . 1 1 7 7 GLY C C 13 173.691 0.300 . 1 . . . . 7 GLY C . 10038 1 11 . 1 1 7 7 GLY CA C 13 45.250 0.300 . 1 . . . . 7 GLY CA . 10038 1 12 . 1 1 7 7 GLY N N 15 110.901 0.300 . 1 . . . . 7 GLY N . 10038 1 13 . 1 1 8 8 ALA H H 1 8.137 0.030 . 1 . . . . 8 ALA H . 10038 1 14 . 1 1 8 8 ALA HA H 1 4.387 0.030 . 1 . . . . 8 ALA HA . 10038 1 15 . 1 1 8 8 ALA HB1 H 1 1.397 0.030 . 1 . . . . 8 ALA HB . 10038 1 16 . 1 1 8 8 ALA HB2 H 1 1.397 0.030 . 1 . . . . 8 ALA HB . 10038 1 17 . 1 1 8 8 ALA HB3 H 1 1.397 0.030 . 1 . . . . 8 ALA HB . 10038 1 18 . 1 1 8 8 ALA C C 13 177.653 0.300 . 1 . . . . 8 ALA C . 10038 1 19 . 1 1 8 8 ALA CA C 13 52.225 0.300 . 1 . . . . 8 ALA CA . 10038 1 20 . 1 1 8 8 ALA CB C 13 19.532 0.300 . 1 . . . . 8 ALA CB . 10038 1 21 . 1 1 8 8 ALA N N 15 123.679 0.300 . 1 . . . . 8 ALA N . 10038 1 22 . 1 1 9 9 SER H H 1 8.362 0.030 . 1 . . . . 9 SER H . 10038 1 23 . 1 1 9 9 SER HA H 1 4.774 0.030 . 1 . . . . 9 SER HA . 10038 1 24 . 1 1 9 9 SER HB2 H 1 3.896 0.030 . 2 . . . . 9 SER HB2 . 10038 1 25 . 1 1 9 9 SER HB3 H 1 3.842 0.030 . 2 . . . . 9 SER HB3 . 10038 1 26 . 1 1 9 9 SER C C 13 177.653 0.300 . 1 . . . . 9 SER C . 10038 1 27 . 1 1 9 9 SER CA C 13 56.480 0.300 . 1 . . . . 9 SER CA . 10038 1 28 . 1 1 9 9 SER CB C 13 63.336 0.300 . 1 . . . . 9 SER CB . 10038 1 29 . 1 1 9 9 SER N N 15 117.081 0.300 . 1 . . . . 9 SER N . 10038 1 30 . 1 1 10 10 PRO HA H 1 4.487 0.030 . 1 . . . . 10 PRO HA . 10038 1 31 . 1 1 10 10 PRO HB2 H 1 2.308 0.030 . 2 . . . . 10 PRO HB2 . 10038 1 32 . 1 1 10 10 PRO HB3 H 1 1.931 0.030 . 2 . . . . 10 PRO HB3 . 10038 1 33 . 1 1 10 10 PRO HG2 H 1 2.033 0.030 . 1 . . . . 10 PRO HG2 . 10038 1 34 . 1 1 10 10 PRO HG3 H 1 2.033 0.030 . 1 . . . . 10 PRO HG3 . 10038 1 35 . 1 1 10 10 PRO HD2 H 1 3.746 0.030 . 2 . . . . 10 PRO HD2 . 10038 1 36 . 1 1 10 10 PRO HD3 H 1 3.841 0.030 . 2 . . . . 10 PRO HD3 . 10038 1 37 . 1 1 10 10 PRO C C 13 176.936 0.300 . 1 . . . . 10 PRO C . 10038 1 38 . 1 1 10 10 PRO CA C 13 63.364 0.300 . 1 . . . . 10 PRO CA . 10038 1 39 . 1 1 10 10 PRO CB C 13 32.152 0.300 . 1 . . . . 10 PRO CB . 10038 1 40 . 1 1 10 10 PRO CG C 13 27.351 0.300 . 1 . . . . 10 PRO CG . 10038 1 41 . 1 1 10 10 PRO CD C 13 50.833 0.300 . 1 . . . . 10 PRO CD . 10038 1 42 . 1 1 11 11 VAL H H 1 8.170 0.030 . 1 . . . . 11 VAL H . 10038 1 43 . 1 1 11 11 VAL HA H 1 4.092 0.030 . 1 . . . . 11 VAL HA . 10038 1 44 . 1 1 11 11 VAL HB H 1 2.068 0.030 . 1 . . . . 11 VAL HB . 10038 1 45 . 1 1 11 11 VAL HG11 H 1 0.944 0.030 . 1 . . . . 11 VAL HG1 . 10038 1 46 . 1 1 11 11 VAL HG12 H 1 0.944 0.030 . 1 . . . . 11 VAL HG1 . 10038 1 47 . 1 1 11 11 VAL HG13 H 1 0.944 0.030 . 1 . . . . 11 VAL HG1 . 10038 1 48 . 1 1 11 11 VAL HG21 H 1 0.959 0.030 . 1 . . . . 11 VAL HG2 . 10038 1 49 . 1 1 11 11 VAL HG22 H 1 0.959 0.030 . 1 . . . . 11 VAL HG2 . 10038 1 50 . 1 1 11 11 VAL HG23 H 1 0.959 0.030 . 1 . . . . 11 VAL HG2 . 10038 1 51 . 1 1 11 11 VAL C C 13 176.182 0.300 . 1 . . . . 11 VAL C . 10038 1 52 . 1 1 11 11 VAL CA C 13 62.399 0.300 . 1 . . . . 11 VAL CA . 10038 1 53 . 1 1 11 11 VAL CB C 13 32.785 0.300 . 1 . . . . 11 VAL CB . 10038 1 54 . 1 1 11 11 VAL CG1 C 13 21.249 0.300 . 2 . . . . 11 VAL CG1 . 10038 1 55 . 1 1 11 11 VAL CG2 C 13 20.610 0.300 . 2 . . . . 11 VAL CG2 . 10038 1 56 . 1 1 11 11 VAL N N 15 120.105 0.300 . 1 . . . . 11 VAL N . 10038 1 57 . 1 1 12 12 GLU H H 1 8.438 0.030 . 1 . . . . 12 GLU H . 10038 1 58 . 1 1 12 12 GLU HA H 1 4.302 0.030 . 1 . . . . 12 GLU HA . 10038 1 59 . 1 1 12 12 GLU HB2 H 1 1.935 0.030 . 2 . . . . 12 GLU HB2 . 10038 1 60 . 1 1 12 12 GLU HB3 H 1 2.022 0.030 . 2 . . . . 12 GLU HB3 . 10038 1 61 . 1 1 12 12 GLU HG2 H 1 2.260 0.030 . 2 . . . . 12 GLU HG2 . 10038 1 62 . 1 1 12 12 GLU HG3 H 1 2.223 0.030 . 2 . . . . 12 GLU HG3 . 10038 1 63 . 1 1 12 12 GLU C C 13 175.937 0.300 . 1 . . . . 12 GLU C . 10038 1 64 . 1 1 12 12 GLU CA C 13 56.427 0.300 . 1 . . . . 12 GLU CA . 10038 1 65 . 1 1 12 12 GLU CB C 13 30.578 0.300 . 1 . . . . 12 GLU CB . 10038 1 66 . 1 1 12 12 GLU CG C 13 36.291 0.300 . 1 . . . . 12 GLU CG . 10038 1 67 . 1 1 12 12 GLU N N 15 124.666 0.300 . 1 . . . . 12 GLU N . 10038 1 68 . 1 1 13 13 ASN H H 1 8.513 0.030 . 1 . . . . 13 ASN H . 10038 1 69 . 1 1 13 13 ASN HA H 1 4.721 0.030 . 1 . . . . 13 ASN HA . 10038 1 70 . 1 1 13 13 ASN HB2 H 1 2.833 0.030 . 2 . . . . 13 ASN HB2 . 10038 1 71 . 1 1 13 13 ASN HB3 H 1 2.745 0.030 . 2 . . . . 13 ASN HB3 . 10038 1 72 . 1 1 13 13 ASN HD21 H 1 7.441 0.030 . 2 . . . . 13 ASN HD21 . 10038 1 73 . 1 1 13 13 ASN HD22 H 1 8.397 0.030 . 2 . . . . 13 ASN HD22 . 10038 1 74 . 1 1 13 13 ASN C C 13 174.925 0.300 . 1 . . . . 13 ASN C . 10038 1 75 . 1 1 13 13 ASN CA C 13 53.222 0.300 . 1 . . . . 13 ASN CA . 10038 1 76 . 1 1 13 13 ASN CB C 13 38.930 0.300 . 1 . . . . 13 ASN CB . 10038 1 77 . 1 1 13 13 ASN N N 15 120.888 0.300 . 1 . . . . 13 ASN N . 10038 1 78 . 1 1 13 13 ASN ND2 N 15 118.053 0.300 . 1 . . . . 13 ASN ND2 . 10038 1 79 . 1 1 14 14 LYS H H 1 8.315 0.030 . 1 . . . . 14 LYS H . 10038 1 80 . 1 1 14 14 LYS HA H 1 4.330 0.030 . 1 . . . . 14 LYS HA . 10038 1 81 . 1 1 14 14 LYS HB2 H 1 1.843 0.030 . 2 . . . . 14 LYS HB2 . 10038 1 82 . 1 1 14 14 LYS HB3 H 1 1.706 0.030 . 2 . . . . 14 LYS HB3 . 10038 1 83 . 1 1 14 14 LYS HG2 H 1 1.419 0.030 . 1 . . . . 14 LYS HG2 . 10038 1 84 . 1 1 14 14 LYS HG3 H 1 1.419 0.030 . 1 . . . . 14 LYS HG3 . 10038 1 85 . 1 1 14 14 LYS HD2 H 1 1.677 0.030 . 1 . . . . 14 LYS HD2 . 10038 1 86 . 1 1 14 14 LYS HD3 H 1 1.677 0.030 . 1 . . . . 14 LYS HD3 . 10038 1 87 . 1 1 14 14 LYS HE2 H 1 2.990 0.030 . 1 . . . . 14 LYS HE2 . 10038 1 88 . 1 1 14 14 LYS HE3 H 1 2.990 0.030 . 1 . . . . 14 LYS HE3 . 10038 1 89 . 1 1 14 14 LYS C C 13 176.262 0.300 . 1 . . . . 14 LYS C . 10038 1 90 . 1 1 14 14 LYS CA C 13 56.188 0.300 . 1 . . . . 14 LYS CA . 10038 1 91 . 1 1 14 14 LYS CB C 13 33.118 0.300 . 1 . . . . 14 LYS CB . 10038 1 92 . 1 1 14 14 LYS CG C 13 24.686 0.300 . 1 . . . . 14 LYS CG . 10038 1 93 . 1 1 14 14 LYS CD C 13 29.013 0.300 . 1 . . . . 14 LYS CD . 10038 1 94 . 1 1 14 14 LYS CE C 13 42.112 0.300 . 1 . . . . 14 LYS CE . 10038 1 95 . 1 1 14 14 LYS N N 15 122.221 0.300 . 1 . . . . 14 LYS N . 10038 1 96 . 1 1 15 15 GLU H H 1 8.344 0.030 . 1 . . . . 15 GLU H . 10038 1 97 . 1 1 15 15 GLU HA H 1 4.184 0.030 . 1 . . . . 15 GLU HA . 10038 1 98 . 1 1 15 15 GLU HB2 H 1 1.870 0.030 . 1 . . . . 15 GLU HB2 . 10038 1 99 . 1 1 15 15 GLU HB3 H 1 1.870 0.030 . 1 . . . . 15 GLU HB3 . 10038 1 100 . 1 1 15 15 GLU HG2 H 1 2.161 0.030 . 2 . . . . 15 GLU HG2 . 10038 1 101 . 1 1 15 15 GLU HG3 H 1 2.213 0.030 . 2 . . . . 15 GLU HG3 . 10038 1 102 . 1 1 15 15 GLU C C 13 175.283 0.300 . 1 . . . . 15 GLU C . 10038 1 103 . 1 1 15 15 GLU CA C 13 56.456 0.300 . 1 . . . . 15 GLU CA . 10038 1 104 . 1 1 15 15 GLU CB C 13 30.241 0.300 . 1 . . . . 15 GLU CB . 10038 1 105 . 1 1 15 15 GLU CG C 13 36.333 0.300 . 1 . . . . 15 GLU CG . 10038 1 106 . 1 1 15 15 GLU N N 15 122.109 0.300 . 1 . . . . 15 GLU N . 10038 1 107 . 1 1 16 16 VAL H H 1 7.772 0.030 . 1 . . . . 16 VAL H . 10038 1 108 . 1 1 16 16 VAL HA H 1 4.072 0.030 . 1 . . . . 16 VAL HA . 10038 1 109 . 1 1 16 16 VAL HB H 1 1.839 0.030 . 1 . . . . 16 VAL HB . 10038 1 110 . 1 1 16 16 VAL HG11 H 1 0.762 0.030 . 1 . . . . 16 VAL HG1 . 10038 1 111 . 1 1 16 16 VAL HG12 H 1 0.762 0.030 . 1 . . . . 16 VAL HG1 . 10038 1 112 . 1 1 16 16 VAL HG13 H 1 0.762 0.030 . 1 . . . . 16 VAL HG1 . 10038 1 113 . 1 1 16 16 VAL HG21 H 1 0.774 0.030 . 1 . . . . 16 VAL HG2 . 10038 1 114 . 1 1 16 16 VAL HG22 H 1 0.774 0.030 . 1 . . . . 16 VAL HG2 . 10038 1 115 . 1 1 16 16 VAL HG23 H 1 0.774 0.030 . 1 . . . . 16 VAL HG2 . 10038 1 116 . 1 1 16 16 VAL C C 13 174.564 0.300 . 1 . . . . 16 VAL C . 10038 1 117 . 1 1 16 16 VAL CA C 13 61.331 0.300 . 1 . . . . 16 VAL CA . 10038 1 118 . 1 1 16 16 VAL CB C 13 33.804 0.300 . 1 . . . . 16 VAL CB . 10038 1 119 . 1 1 16 16 VAL CG1 C 13 21.185 0.300 . 2 . . . . 16 VAL CG1 . 10038 1 120 . 1 1 16 16 VAL CG2 C 13 20.381 0.300 . 2 . . . . 16 VAL CG2 . 10038 1 121 . 1 1 16 16 VAL N N 15 119.744 0.300 . 1 . . . . 16 VAL N . 10038 1 122 . 1 1 17 17 TYR H H 1 8.392 0.030 . 1 . . . . 17 TYR H . 10038 1 123 . 1 1 17 17 TYR HA H 1 4.585 0.030 . 1 . . . . 17 TYR HA . 10038 1 124 . 1 1 17 17 TYR HB2 H 1 2.799 0.030 . 2 . . . . 17 TYR HB2 . 10038 1 125 . 1 1 17 17 TYR HB3 H 1 2.520 0.030 . 2 . . . . 17 TYR HB3 . 10038 1 126 . 1 1 17 17 TYR HD1 H 1 6.876 0.030 . 1 . . . . 17 TYR HD1 . 10038 1 127 . 1 1 17 17 TYR HD2 H 1 6.876 0.030 . 1 . . . . 17 TYR HD2 . 10038 1 128 . 1 1 17 17 TYR HE1 H 1 6.722 0.030 . 1 . . . . 17 TYR HE1 . 10038 1 129 . 1 1 17 17 TYR HE2 H 1 6.722 0.030 . 1 . . . . 17 TYR HE2 . 10038 1 130 . 1 1 17 17 TYR C C 13 174.357 0.300 . 1 . . . . 17 TYR C . 10038 1 131 . 1 1 17 17 TYR CA C 13 56.815 0.300 . 1 . . . . 17 TYR CA . 10038 1 132 . 1 1 17 17 TYR CB C 13 38.983 0.300 . 1 . . . . 17 TYR CB . 10038 1 133 . 1 1 17 17 TYR CD1 C 13 132.822 0.300 . 1 . . . . 17 TYR CD1 . 10038 1 134 . 1 1 17 17 TYR CD2 C 13 132.822 0.300 . 1 . . . . 17 TYR CD2 . 10038 1 135 . 1 1 17 17 TYR CE1 C 13 118.237 0.300 . 1 . . . . 17 TYR CE1 . 10038 1 136 . 1 1 17 17 TYR CE2 C 13 118.237 0.300 . 1 . . . . 17 TYR CE2 . 10038 1 137 . 1 1 17 17 TYR N N 15 125.307 0.300 . 1 . . . . 17 TYR N . 10038 1 138 . 1 1 18 18 GLN H H 1 8.266 0.030 . 1 . . . . 18 GLN H . 10038 1 139 . 1 1 18 18 GLN HA H 1 5.149 0.030 . 1 . . . . 18 GLN HA . 10038 1 140 . 1 1 18 18 GLN HB2 H 1 1.794 0.030 . 2 . . . . 18 GLN HB2 . 10038 1 141 . 1 1 18 18 GLN HB3 H 1 1.721 0.030 . 2 . . . . 18 GLN HB3 . 10038 1 142 . 1 1 18 18 GLN HG2 H 1 2.009 0.030 . 2 . . . . 18 GLN HG2 . 10038 1 143 . 1 1 18 18 GLN HG3 H 1 2.108 0.030 . 2 . . . . 18 GLN HG3 . 10038 1 144 . 1 1 18 18 GLN HE21 H 1 7.406 0.030 . 2 . . . . 18 GLN HE21 . 10038 1 145 . 1 1 18 18 GLN HE22 H 1 6.770 0.030 . 2 . . . . 18 GLN HE22 . 10038 1 146 . 1 1 18 18 GLN C C 13 175.189 0.300 . 1 . . . . 18 GLN C . 10038 1 147 . 1 1 18 18 GLN CA C 13 54.011 0.300 . 1 . . . . 18 GLN CA . 10038 1 148 . 1 1 18 18 GLN CB C 13 31.932 0.300 . 1 . . . . 18 GLN CB . 10038 1 149 . 1 1 18 18 GLN CG C 13 34.239 0.300 . 1 . . . . 18 GLN CG . 10038 1 150 . 1 1 18 18 GLN N N 15 121.874 0.300 . 1 . . . . 18 GLN N . 10038 1 151 . 1 1 18 18 GLN NE2 N 15 111.318 0.300 . 1 . . . . 18 GLN NE2 . 10038 1 152 . 1 1 19 19 CYS H H 1 8.809 0.030 . 1 . . . . 19 CYS H . 10038 1 153 . 1 1 19 19 CYS HA H 1 4.559 0.030 . 1 . . . . 19 CYS HA . 10038 1 154 . 1 1 19 19 CYS HB2 H 1 3.140 0.030 . 2 . . . . 19 CYS HB2 . 10038 1 155 . 1 1 19 19 CYS HB3 H 1 2.474 0.030 . 2 . . . . 19 CYS HB3 . 10038 1 156 . 1 1 19 19 CYS C C 13 178.229 0.300 . 1 . . . . 19 CYS C . 10038 1 157 . 1 1 19 19 CYS CA C 13 59.379 0.300 . 1 . . . . 19 CYS CA . 10038 1 158 . 1 1 19 19 CYS CB C 13 31.408 0.300 . 1 . . . . 19 CYS CB . 10038 1 159 . 1 1 19 19 CYS N N 15 126.423 0.300 . 1 . . . . 19 CYS N . 10038 1 160 . 1 1 20 20 ARG H H 1 9.533 0.030 . 1 . . . . 20 ARG H . 10038 1 161 . 1 1 20 20 ARG HA H 1 4.205 0.030 . 1 . . . . 20 ARG HA . 10038 1 162 . 1 1 20 20 ARG HB2 H 1 1.874 0.030 . 2 . . . . 20 ARG HB2 . 10038 1 163 . 1 1 20 20 ARG HB3 H 1 1.991 0.030 . 2 . . . . 20 ARG HB3 . 10038 1 164 . 1 1 20 20 ARG HG2 H 1 1.780 0.030 . 2 . . . . 20 ARG HG2 . 10038 1 165 . 1 1 20 20 ARG HG3 H 1 1.848 0.030 . 2 . . . . 20 ARG HG3 . 10038 1 166 . 1 1 20 20 ARG HD2 H 1 3.328 0.030 . 2 . . . . 20 ARG HD2 . 10038 1 167 . 1 1 20 20 ARG HD3 H 1 3.235 0.030 . 2 . . . . 20 ARG HD3 . 10038 1 168 . 1 1 20 20 ARG C C 13 176.182 0.300 . 1 . . . . 20 ARG C . 10038 1 169 . 1 1 20 20 ARG CA C 13 58.482 0.300 . 1 . . . . 20 ARG CA . 10038 1 170 . 1 1 20 20 ARG CB C 13 29.888 0.300 . 1 . . . . 20 ARG CB . 10038 1 171 . 1 1 20 20 ARG CG C 13 28.088 0.300 . 1 . . . . 20 ARG CG . 10038 1 172 . 1 1 20 20 ARG CD C 13 43.005 0.300 . 1 . . . . 20 ARG CD . 10038 1 173 . 1 1 20 20 ARG N N 15 131.210 0.300 . 1 . . . . 20 ARG N . 10038 1 174 . 1 1 21 21 LEU H H 1 9.810 0.030 . 1 . . . . 21 LEU H . 10038 1 175 . 1 1 21 21 LEU HA H 1 4.492 0.030 . 1 . . . . 21 LEU HA . 10038 1 176 . 1 1 21 21 LEU HB2 H 1 2.222 0.030 . 2 . . . . 21 LEU HB2 . 10038 1 177 . 1 1 21 21 LEU HB3 H 1 1.456 0.030 . 2 . . . . 21 LEU HB3 . 10038 1 178 . 1 1 21 21 LEU HG H 1 1.623 0.030 . 1 . . . . 21 LEU HG . 10038 1 179 . 1 1 21 21 LEU HD11 H 1 0.936 0.030 . 1 . . . . 21 LEU HD1 . 10038 1 180 . 1 1 21 21 LEU HD12 H 1 0.936 0.030 . 1 . . . . 21 LEU HD1 . 10038 1 181 . 1 1 21 21 LEU HD13 H 1 0.936 0.030 . 1 . . . . 21 LEU HD1 . 10038 1 182 . 1 1 21 21 LEU HD21 H 1 0.856 0.030 . 1 . . . . 21 LEU HD2 . 10038 1 183 . 1 1 21 21 LEU HD22 H 1 0.856 0.030 . 1 . . . . 21 LEU HD2 . 10038 1 184 . 1 1 21 21 LEU HD23 H 1 0.856 0.030 . 1 . . . . 21 LEU HD2 . 10038 1 185 . 1 1 21 21 LEU C C 13 178.005 0.300 . 1 . . . . 21 LEU C . 10038 1 186 . 1 1 21 21 LEU CA C 13 57.013 0.300 . 1 . . . . 21 LEU CA . 10038 1 187 . 1 1 21 21 LEU CB C 13 42.867 0.300 . 1 . . . . 21 LEU CB . 10038 1 188 . 1 1 21 21 LEU CG C 13 27.790 0.300 . 1 . . . . 21 LEU CG . 10038 1 189 . 1 1 21 21 LEU CD1 C 13 25.397 0.300 . 2 . . . . 21 LEU CD1 . 10038 1 190 . 1 1 21 21 LEU CD2 C 13 23.874 0.300 . 2 . . . . 21 LEU CD2 . 10038 1 191 . 1 1 21 21 LEU N N 15 123.604 0.300 . 1 . . . . 21 LEU N . 10038 1 192 . 1 1 22 22 CYS H H 1 8.912 0.030 . 1 . . . . 22 CYS H . 10038 1 193 . 1 1 22 22 CYS HA H 1 4.984 0.030 . 1 . . . . 22 CYS HA . 10038 1 194 . 1 1 22 22 CYS HB2 H 1 3.313 0.030 . 2 . . . . 22 CYS HB2 . 10038 1 195 . 1 1 22 22 CYS HB3 H 1 2.429 0.030 . 2 . . . . 22 CYS HB3 . 10038 1 196 . 1 1 22 22 CYS C C 13 176.193 0.300 . 1 . . . . 22 CYS C . 10038 1 197 . 1 1 22 22 CYS CA C 13 58.710 0.300 . 1 . . . . 22 CYS CA . 10038 1 198 . 1 1 22 22 CYS CB C 13 32.788 0.300 . 1 . . . . 22 CYS CB . 10038 1 199 . 1 1 22 22 CYS N N 15 119.468 0.300 . 1 . . . . 22 CYS N . 10038 1 200 . 1 1 23 23 ASN H H 1 7.863 0.030 . 1 . . . . 23 ASN H . 10038 1 201 . 1 1 23 23 ASN HA H 1 4.594 0.030 . 1 . . . . 23 ASN HA . 10038 1 202 . 1 1 23 23 ASN HB2 H 1 3.018 0.030 . 1 . . . . 23 ASN HB2 . 10038 1 203 . 1 1 23 23 ASN HB3 H 1 3.018 0.030 . 1 . . . . 23 ASN HB3 . 10038 1 204 . 1 1 23 23 ASN HD21 H 1 6.764 0.030 . 2 . . . . 23 ASN HD21 . 10038 1 205 . 1 1 23 23 ASN HD22 H 1 7.420 0.030 . 2 . . . . 23 ASN HD22 . 10038 1 206 . 1 1 23 23 ASN C C 13 174.205 0.300 . 1 . . . . 23 ASN C . 10038 1 207 . 1 1 23 23 ASN CA C 13 55.556 0.300 . 1 . . . . 23 ASN CA . 10038 1 208 . 1 1 23 23 ASN CB C 13 38.050 0.300 . 1 . . . . 23 ASN CB . 10038 1 209 . 1 1 23 23 ASN N N 15 117.349 0.300 . 1 . . . . 23 ASN N . 10038 1 210 . 1 1 23 23 ASN ND2 N 15 112.155 0.300 . 1 . . . . 23 ASN ND2 . 10038 1 211 . 1 1 24 24 ALA H H 1 8.812 0.030 . 1 . . . . 24 ALA H . 10038 1 212 . 1 1 24 24 ALA HA H 1 4.123 0.030 . 1 . . . . 24 ALA HA . 10038 1 213 . 1 1 24 24 ALA HB1 H 1 1.105 0.030 . 1 . . . . 24 ALA HB . 10038 1 214 . 1 1 24 24 ALA HB2 H 1 1.105 0.030 . 1 . . . . 24 ALA HB . 10038 1 215 . 1 1 24 24 ALA HB3 H 1 1.105 0.030 . 1 . . . . 24 ALA HB . 10038 1 216 . 1 1 24 24 ALA C C 13 176.523 0.300 . 1 . . . . 24 ALA C . 10038 1 217 . 1 1 24 24 ALA CA C 13 53.698 0.300 . 1 . . . . 24 ALA CA . 10038 1 218 . 1 1 24 24 ALA CB C 13 19.392 0.300 . 1 . . . . 24 ALA CB . 10038 1 219 . 1 1 24 24 ALA N N 15 125.494 0.300 . 1 . . . . 24 ALA N . 10038 1 220 . 1 1 25 25 LYS H H 1 8.416 0.030 . 1 . . . . 25 LYS H . 10038 1 221 . 1 1 25 25 LYS HA H 1 4.457 0.030 . 1 . . . . 25 LYS HA . 10038 1 222 . 1 1 25 25 LYS HB2 H 1 1.760 0.030 . 2 . . . . 25 LYS HB2 . 10038 1 223 . 1 1 25 25 LYS HB3 H 1 1.715 0.030 . 2 . . . . 25 LYS HB3 . 10038 1 224 . 1 1 25 25 LYS HG2 H 1 1.280 0.030 . 2 . . . . 25 LYS HG2 . 10038 1 225 . 1 1 25 25 LYS HG3 H 1 1.547 0.030 . 2 . . . . 25 LYS HG3 . 10038 1 226 . 1 1 25 25 LYS HD2 H 1 1.657 0.030 . 1 . . . . 25 LYS HD2 . 10038 1 227 . 1 1 25 25 LYS HD3 H 1 1.657 0.030 . 1 . . . . 25 LYS HD3 . 10038 1 228 . 1 1 25 25 LYS HE2 H 1 2.978 0.030 . 1 . . . . 25 LYS HE2 . 10038 1 229 . 1 1 25 25 LYS HE3 H 1 2.978 0.030 . 1 . . . . 25 LYS HE3 . 10038 1 230 . 1 1 25 25 LYS C C 13 175.871 0.300 . 1 . . . . 25 LYS C . 10038 1 231 . 1 1 25 25 LYS CA C 13 56.318 0.300 . 1 . . . . 25 LYS CA . 10038 1 232 . 1 1 25 25 LYS CB C 13 32.775 0.300 . 1 . . . . 25 LYS CB . 10038 1 233 . 1 1 25 25 LYS CG C 13 25.423 0.300 . 1 . . . . 25 LYS CG . 10038 1 234 . 1 1 25 25 LYS CD C 13 29.185 0.300 . 1 . . . . 25 LYS CD . 10038 1 235 . 1 1 25 25 LYS CE C 13 42.207 0.300 . 1 . . . . 25 LYS CE . 10038 1 236 . 1 1 25 25 LYS N N 15 120.330 0.300 . 1 . . . . 25 LYS N . 10038 1 237 . 1 1 26 26 LEU H H 1 8.620 0.030 . 1 . . . . 26 LEU H . 10038 1 238 . 1 1 26 26 LEU HA H 1 4.819 0.030 . 1 . . . . 26 LEU HA . 10038 1 239 . 1 1 26 26 LEU HB2 H 1 1.620 0.030 . 2 . . . . 26 LEU HB2 . 10038 1 240 . 1 1 26 26 LEU HB3 H 1 1.759 0.030 . 2 . . . . 26 LEU HB3 . 10038 1 241 . 1 1 26 26 LEU HG H 1 1.582 0.030 . 1 . . . . 26 LEU HG . 10038 1 242 . 1 1 26 26 LEU HD11 H 1 0.659 0.030 . 1 . . . . 26 LEU HD1 . 10038 1 243 . 1 1 26 26 LEU HD12 H 1 0.659 0.030 . 1 . . . . 26 LEU HD1 . 10038 1 244 . 1 1 26 26 LEU HD13 H 1 0.659 0.030 . 1 . . . . 26 LEU HD1 . 10038 1 245 . 1 1 26 26 LEU HD21 H 1 0.580 0.030 . 1 . . . . 26 LEU HD2 . 10038 1 246 . 1 1 26 26 LEU HD22 H 1 0.580 0.030 . 1 . . . . 26 LEU HD2 . 10038 1 247 . 1 1 26 26 LEU HD23 H 1 0.580 0.030 . 1 . . . . 26 LEU HD2 . 10038 1 248 . 1 1 26 26 LEU C C 13 177.476 0.300 . 1 . . . . 26 LEU C . 10038 1 249 . 1 1 26 26 LEU CA C 13 52.805 0.300 . 1 . . . . 26 LEU CA . 10038 1 250 . 1 1 26 26 LEU CB C 13 42.282 0.300 . 1 . . . . 26 LEU CB . 10038 1 251 . 1 1 26 26 LEU CG C 13 27.488 0.300 . 1 . . . . 26 LEU CG . 10038 1 252 . 1 1 26 26 LEU CD1 C 13 23.177 0.300 . 2 . . . . 26 LEU CD1 . 10038 1 253 . 1 1 26 26 LEU CD2 C 13 24.213 0.300 . 2 . . . . 26 LEU CD2 . 10038 1 254 . 1 1 26 26 LEU N N 15 126.098 0.300 . 1 . . . . 26 LEU N . 10038 1 255 . 1 1 27 27 SER H H 1 8.800 0.030 . 1 . . . . 27 SER H . 10038 1 256 . 1 1 27 27 SER HA H 1 4.654 0.030 . 1 . . . . 27 SER HA . 10038 1 257 . 1 1 27 27 SER HB2 H 1 3.988 0.030 . 2 . . . . 27 SER HB2 . 10038 1 258 . 1 1 27 27 SER HB3 H 1 4.034 0.030 . 2 . . . . 27 SER HB3 . 10038 1 259 . 1 1 27 27 SER C C 13 174.005 0.300 . 1 . . . . 27 SER C . 10038 1 260 . 1 1 27 27 SER CA C 13 60.055 0.300 . 1 . . . . 27 SER CA . 10038 1 261 . 1 1 27 27 SER CB C 13 64.837 0.300 . 1 . . . . 27 SER CB . 10038 1 262 . 1 1 27 27 SER N N 15 113.140 0.300 . 1 . . . . 27 SER N . 10038 1 263 . 1 1 28 28 SER H H 1 7.344 0.030 . 1 . . . . 28 SER H . 10038 1 264 . 1 1 28 28 SER HA H 1 4.206 0.030 . 1 . . . . 28 SER HA . 10038 1 265 . 1 1 28 28 SER HB2 H 1 3.936 0.030 . 2 . . . . 28 SER HB2 . 10038 1 266 . 1 1 28 28 SER HB3 H 1 4.022 0.030 . 2 . . . . 28 SER HB3 . 10038 1 267 . 1 1 28 28 SER C C 13 173.073 0.300 . 1 . . . . 28 SER C . 10038 1 268 . 1 1 28 28 SER CA C 13 56.924 0.300 . 1 . . . . 28 SER CA . 10038 1 269 . 1 1 28 28 SER CB C 13 66.092 0.300 . 1 . . . . 28 SER CB . 10038 1 270 . 1 1 28 28 SER N N 15 112.489 0.300 . 1 . . . . 28 SER N . 10038 1 271 . 1 1 29 29 LEU H H 1 8.304 0.030 . 1 . . . . 29 LEU H . 10038 1 272 . 1 1 29 29 LEU HA H 1 3.702 0.030 . 1 . . . . 29 LEU HA . 10038 1 273 . 1 1 29 29 LEU HB2 H 1 1.440 0.030 . 2 . . . . 29 LEU HB2 . 10038 1 274 . 1 1 29 29 LEU HB3 H 1 1.535 0.030 . 2 . . . . 29 LEU HB3 . 10038 1 275 . 1 1 29 29 LEU HG H 1 1.447 0.030 . 1 . . . . 29 LEU HG . 10038 1 276 . 1 1 29 29 LEU HD11 H 1 0.979 0.030 . 1 . . . . 29 LEU HD1 . 10038 1 277 . 1 1 29 29 LEU HD12 H 1 0.979 0.030 . 1 . . . . 29 LEU HD1 . 10038 1 278 . 1 1 29 29 LEU HD13 H 1 0.979 0.030 . 1 . . . . 29 LEU HD1 . 10038 1 279 . 1 1 29 29 LEU HD21 H 1 0.900 0.030 . 1 . . . . 29 LEU HD2 . 10038 1 280 . 1 1 29 29 LEU HD22 H 1 0.900 0.030 . 1 . . . . 29 LEU HD2 . 10038 1 281 . 1 1 29 29 LEU HD23 H 1 0.900 0.030 . 1 . . . . 29 LEU HD2 . 10038 1 282 . 1 1 29 29 LEU C C 13 179.933 0.300 . 1 . . . . 29 LEU C . 10038 1 283 . 1 1 29 29 LEU CA C 13 57.445 0.300 . 1 . . . . 29 LEU CA . 10038 1 284 . 1 1 29 29 LEU CB C 13 41.828 0.300 . 1 . . . . 29 LEU CB . 10038 1 285 . 1 1 29 29 LEU CG C 13 26.918 0.300 . 1 . . . . 29 LEU CG . 10038 1 286 . 1 1 29 29 LEU CD1 C 13 23.968 0.300 . 2 . . . . 29 LEU CD1 . 10038 1 287 . 1 1 29 29 LEU CD2 C 13 25.010 0.300 . 2 . . . . 29 LEU CD2 . 10038 1 288 . 1 1 29 29 LEU N N 15 122.938 0.300 . 1 . . . . 29 LEU N . 10038 1 289 . 1 1 30 30 LEU H H 1 8.061 0.030 . 1 . . . . 30 LEU H . 10038 1 290 . 1 1 30 30 LEU HA H 1 4.086 0.030 . 1 . . . . 30 LEU HA . 10038 1 291 . 1 1 30 30 LEU HB2 H 1 1.545 0.030 . 2 . . . . 30 LEU HB2 . 10038 1 292 . 1 1 30 30 LEU HB3 H 1 1.641 0.030 . 2 . . . . 30 LEU HB3 . 10038 1 293 . 1 1 30 30 LEU HG H 1 1.640 0.030 . 1 . . . . 30 LEU HG . 10038 1 294 . 1 1 30 30 LEU HD11 H 1 0.870 0.030 . 1 . . . . 30 LEU HD1 . 10038 1 295 . 1 1 30 30 LEU HD12 H 1 0.870 0.030 . 1 . . . . 30 LEU HD1 . 10038 1 296 . 1 1 30 30 LEU HD13 H 1 0.870 0.030 . 1 . . . . 30 LEU HD1 . 10038 1 297 . 1 1 30 30 LEU HD21 H 1 0.919 0.030 . 1 . . . . 30 LEU HD2 . 10038 1 298 . 1 1 30 30 LEU HD22 H 1 0.919 0.030 . 1 . . . . 30 LEU HD2 . 10038 1 299 . 1 1 30 30 LEU HD23 H 1 0.919 0.030 . 1 . . . . 30 LEU HD2 . 10038 1 300 . 1 1 30 30 LEU C C 13 179.882 0.300 . 1 . . . . 30 LEU C . 10038 1 301 . 1 1 30 30 LEU CA C 13 57.957 0.300 . 1 . . . . 30 LEU CA . 10038 1 302 . 1 1 30 30 LEU CB C 13 41.820 0.300 . 1 . . . . 30 LEU CB . 10038 1 303 . 1 1 30 30 LEU CG C 13 27.068 0.300 . 1 . . . . 30 LEU CG . 10038 1 304 . 1 1 30 30 LEU CD1 C 13 23.972 0.300 . 2 . . . . 30 LEU CD1 . 10038 1 305 . 1 1 30 30 LEU CD2 C 13 24.594 0.300 . 2 . . . . 30 LEU CD2 . 10038 1 306 . 1 1 30 30 LEU N N 15 120.964 0.300 . 1 . . . . 30 LEU N . 10038 1 307 . 1 1 31 31 GLU H H 1 7.946 0.030 . 1 . . . . 31 GLU H . 10038 1 308 . 1 1 31 31 GLU HA H 1 4.104 0.030 . 1 . . . . 31 GLU HA . 10038 1 309 . 1 1 31 31 GLU HB2 H 1 2.063 0.030 . 2 . . . . 31 GLU HB2 . 10038 1 310 . 1 1 31 31 GLU HB3 H 1 1.991 0.030 . 2 . . . . 31 GLU HB3 . 10038 1 311 . 1 1 31 31 GLU HG2 H 1 2.379 0.030 . 2 . . . . 31 GLU HG2 . 10038 1 312 . 1 1 31 31 GLU HG3 H 1 2.293 0.030 . 2 . . . . 31 GLU HG3 . 10038 1 313 . 1 1 31 31 GLU C C 13 178.638 0.300 . 1 . . . . 31 GLU C . 10038 1 314 . 1 1 31 31 GLU CA C 13 58.711 0.300 . 1 . . . . 31 GLU CA . 10038 1 315 . 1 1 31 31 GLU CB C 13 30.261 0.300 . 1 . . . . 31 GLU CB . 10038 1 316 . 1 1 31 31 GLU CG C 13 37.180 0.300 . 1 . . . . 31 GLU CG . 10038 1 317 . 1 1 31 31 GLU N N 15 120.063 0.300 . 1 . . . . 31 GLU N . 10038 1 318 . 1 1 32 32 GLN H H 1 8.316 0.030 . 1 . . . . 32 GLN H . 10038 1 319 . 1 1 32 32 GLN HA H 1 3.886 0.030 . 1 . . . . 32 GLN HA . 10038 1 320 . 1 1 32 32 GLN HB2 H 1 1.938 0.030 . 2 . . . . 32 GLN HB2 . 10038 1 321 . 1 1 32 32 GLN HB3 H 1 2.432 0.030 . 2 . . . . 32 GLN HB3 . 10038 1 322 . 1 1 32 32 GLN HG2 H 1 2.193 0.030 . 2 . . . . 32 GLN HG2 . 10038 1 323 . 1 1 32 32 GLN HG3 H 1 2.090 0.030 . 2 . . . . 32 GLN HG3 . 10038 1 324 . 1 1 32 32 GLN HE21 H 1 6.574 0.030 . 2 . . . . 32 GLN HE21 . 10038 1 325 . 1 1 32 32 GLN HE22 H 1 7.539 0.030 . 2 . . . . 32 GLN HE22 . 10038 1 326 . 1 1 32 32 GLN C C 13 177.803 0.300 . 1 . . . . 32 GLN C . 10038 1 327 . 1 1 32 32 GLN CA C 13 60.227 0.300 . 1 . . . . 32 GLN CA . 10038 1 328 . 1 1 32 32 GLN CB C 13 28.412 0.300 . 1 . . . . 32 GLN CB . 10038 1 329 . 1 1 32 32 GLN CG C 13 33.176 0.300 . 1 . . . . 32 GLN CG . 10038 1 330 . 1 1 32 32 GLN N N 15 120.722 0.300 . 1 . . . . 32 GLN N . 10038 1 331 . 1 1 32 32 GLN NE2 N 15 109.983 0.300 . 1 . . . . 32 GLN NE2 . 10038 1 332 . 1 1 33 33 GLY H H 1 8.273 0.030 . 1 . . . . 33 GLY H . 10038 1 333 . 1 1 33 33 GLY HA2 H 1 3.990 0.030 . 1 . . . . 33 GLY HA2 . 10038 1 334 . 1 1 33 33 GLY HA3 H 1 3.990 0.030 . 1 . . . . 33 GLY HA3 . 10038 1 335 . 1 1 33 33 GLY C C 13 176.720 0.300 . 1 . . . . 33 GLY C . 10038 1 336 . 1 1 33 33 GLY CA C 13 47.463 0.300 . 1 . . . . 33 GLY CA . 10038 1 337 . 1 1 33 33 GLY N N 15 106.176 0.300 . 1 . . . . 33 GLY N . 10038 1 338 . 1 1 34 34 SER H H 1 8.065 0.030 . 1 . . . . 34 SER H . 10038 1 339 . 1 1 34 34 SER HA H 1 4.241 0.030 . 1 . . . . 34 SER HA . 10038 1 340 . 1 1 34 34 SER HB2 H 1 3.949 0.030 . 1 . . . . 34 SER HB2 . 10038 1 341 . 1 1 34 34 SER HB3 H 1 3.949 0.030 . 1 . . . . 34 SER HB3 . 10038 1 342 . 1 1 34 34 SER C C 13 176.795 0.300 . 1 . . . . 34 SER C . 10038 1 343 . 1 1 34 34 SER CA C 13 61.168 0.300 . 1 . . . . 34 SER CA . 10038 1 344 . 1 1 34 34 SER CB C 13 62.748 0.300 . 1 . . . . 34 SER CB . 10038 1 345 . 1 1 34 34 SER N N 15 117.391 0.300 . 1 . . . . 34 SER N . 10038 1 346 . 1 1 35 35 HIS H H 1 8.757 0.030 . 1 . . . . 35 HIS H . 10038 1 347 . 1 1 35 35 HIS HA H 1 4.206 0.030 . 1 . . . . 35 HIS HA . 10038 1 348 . 1 1 35 35 HIS HB2 H 1 3.388 0.030 . 2 . . . . 35 HIS HB2 . 10038 1 349 . 1 1 35 35 HIS HB3 H 1 3.291 0.030 . 2 . . . . 35 HIS HB3 . 10038 1 350 . 1 1 35 35 HIS HD2 H 1 7.309 0.030 . 1 . . . . 35 HIS HD2 . 10038 1 351 . 1 1 35 35 HIS HE1 H 1 7.839 0.030 . 1 . . . . 35 HIS HE1 . 10038 1 352 . 1 1 35 35 HIS C C 13 178.051 0.300 . 1 . . . . 35 HIS C . 10038 1 353 . 1 1 35 35 HIS CA C 13 60.187 0.300 . 1 . . . . 35 HIS CA . 10038 1 354 . 1 1 35 35 HIS CB C 13 28.288 0.300 . 1 . . . . 35 HIS CB . 10038 1 355 . 1 1 35 35 HIS CD2 C 13 128.787 0.300 . 1 . . . . 35 HIS CD2 . 10038 1 356 . 1 1 35 35 HIS CE1 C 13 139.064 0.300 . 1 . . . . 35 HIS CE1 . 10038 1 357 . 1 1 35 35 HIS N N 15 120.702 0.300 . 1 . . . . 35 HIS N . 10038 1 358 . 1 1 36 36 GLU H H 1 9.018 0.030 . 1 . . . . 36 GLU H . 10038 1 359 . 1 1 36 36 GLU HA H 1 3.961 0.030 . 1 . . . . 36 GLU HA . 10038 1 360 . 1 1 36 36 GLU HB2 H 1 2.304 0.030 . 2 . . . . 36 GLU HB2 . 10038 1 361 . 1 1 36 36 GLU HB3 H 1 2.052 0.030 . 2 . . . . 36 GLU HB3 . 10038 1 362 . 1 1 36 36 GLU HG2 H 1 2.927 0.030 . 2 . . . . 36 GLU HG2 . 10038 1 363 . 1 1 36 36 GLU HG3 H 1 3.201 0.030 . 2 . . . . 36 GLU HG3 . 10038 1 364 . 1 1 36 36 GLU C C 13 178.322 0.300 . 1 . . . . 36 GLU C . 10038 1 365 . 1 1 36 36 GLU CA C 13 60.699 0.300 . 1 . . . . 36 GLU CA . 10038 1 366 . 1 1 36 36 GLU CB C 13 29.948 0.300 . 1 . . . . 36 GLU CB . 10038 1 367 . 1 1 36 36 GLU CG C 13 38.628 0.300 . 1 . . . . 36 GLU CG . 10038 1 368 . 1 1 36 36 GLU N N 15 118.633 0.300 . 1 . . . . 36 GLU N . 10038 1 369 . 1 1 37 37 ARG H H 1 7.363 0.030 . 1 . . . . 37 ARG H . 10038 1 370 . 1 1 37 37 ARG HA H 1 4.026 0.030 . 1 . . . . 37 ARG HA . 10038 1 371 . 1 1 37 37 ARG HB2 H 1 1.890 0.030 . 2 . . . . 37 ARG HB2 . 10038 1 372 . 1 1 37 37 ARG HB3 H 1 1.921 0.030 . 2 . . . . 37 ARG HB3 . 10038 1 373 . 1 1 37 37 ARG HG2 H 1 1.625 0.030 . 2 . . . . 37 ARG HG2 . 10038 1 374 . 1 1 37 37 ARG HG3 H 1 1.809 0.030 . 2 . . . . 37 ARG HG3 . 10038 1 375 . 1 1 37 37 ARG HD2 H 1 3.230 0.030 . 1 . . . . 37 ARG HD2 . 10038 1 376 . 1 1 37 37 ARG HD3 H 1 3.230 0.030 . 1 . . . . 37 ARG HD3 . 10038 1 377 . 1 1 37 37 ARG C C 13 177.531 0.300 . 1 . . . . 37 ARG C . 10038 1 378 . 1 1 37 37 ARG CA C 13 59.142 0.300 . 1 . . . . 37 ARG CA . 10038 1 379 . 1 1 37 37 ARG CB C 13 30.305 0.300 . 1 . . . . 37 ARG CB . 10038 1 380 . 1 1 37 37 ARG CG C 13 27.834 0.300 . 1 . . . . 37 ARG CG . 10038 1 381 . 1 1 37 37 ARG CD C 13 43.455 0.300 . 1 . . . . 37 ARG CD . 10038 1 382 . 1 1 37 37 ARG N N 15 116.132 0.300 . 1 . . . . 37 ARG N . 10038 1 383 . 1 1 38 38 LEU H H 1 6.929 0.030 . 1 . . . . 38 LEU H . 10038 1 384 . 1 1 38 38 LEU HA H 1 4.278 0.030 . 1 . . . . 38 LEU HA . 10038 1 385 . 1 1 38 38 LEU HB2 H 1 1.595 0.030 . 2 . . . . 38 LEU HB2 . 10038 1 386 . 1 1 38 38 LEU HB3 H 1 1.412 0.030 . 2 . . . . 38 LEU HB3 . 10038 1 387 . 1 1 38 38 LEU HG H 1 1.631 0.030 . 1 . . . . 38 LEU HG . 10038 1 388 . 1 1 38 38 LEU HD11 H 1 0.847 0.030 . 1 . . . . 38 LEU HD1 . 10038 1 389 . 1 1 38 38 LEU HD12 H 1 0.847 0.030 . 1 . . . . 38 LEU HD1 . 10038 1 390 . 1 1 38 38 LEU HD13 H 1 0.847 0.030 . 1 . . . . 38 LEU HD1 . 10038 1 391 . 1 1 38 38 LEU HD21 H 1 0.810 0.030 . 1 . . . . 38 LEU HD2 . 10038 1 392 . 1 1 38 38 LEU HD22 H 1 0.810 0.030 . 1 . . . . 38 LEU HD2 . 10038 1 393 . 1 1 38 38 LEU HD23 H 1 0.810 0.030 . 1 . . . . 38 LEU HD2 . 10038 1 394 . 1 1 38 38 LEU C C 13 177.729 0.300 . 1 . . . . 38 LEU C . 10038 1 395 . 1 1 38 38 LEU CA C 13 55.497 0.300 . 1 . . . . 38 LEU CA . 10038 1 396 . 1 1 38 38 LEU CB C 13 42.845 0.300 . 1 . . . . 38 LEU CB . 10038 1 397 . 1 1 38 38 LEU CG C 13 26.856 0.300 . 1 . . . . 38 LEU CG . 10038 1 398 . 1 1 38 38 LEU CD1 C 13 25.226 0.300 . 2 . . . . 38 LEU CD1 . 10038 1 399 . 1 1 38 38 LEU CD2 C 13 22.982 0.300 . 2 . . . . 38 LEU CD2 . 10038 1 400 . 1 1 38 38 LEU N N 15 117.158 0.300 . 1 . . . . 38 LEU N . 10038 1 401 . 1 1 39 39 CYS H H 1 8.100 0.030 . 1 . . . . 39 CYS H . 10038 1 402 . 1 1 39 39 CYS HA H 1 3.731 0.030 . 1 . . . . 39 CYS HA . 10038 1 403 . 1 1 39 39 CYS HB2 H 1 2.713 0.030 . 2 . . . . 39 CYS HB2 . 10038 1 404 . 1 1 39 39 CYS HB3 H 1 2.388 0.030 . 2 . . . . 39 CYS HB3 . 10038 1 405 . 1 1 39 39 CYS C C 13 177.405 0.300 . 1 . . . . 39 CYS C . 10038 1 406 . 1 1 39 39 CYS CA C 13 62.973 0.300 . 1 . . . . 39 CYS CA . 10038 1 407 . 1 1 39 39 CYS CB C 13 29.163 0.300 . 1 . . . . 39 CYS CB . 10038 1 408 . 1 1 39 39 CYS N N 15 124.446 0.300 . 1 . . . . 39 CYS N . 10038 1 409 . 1 1 40 40 ARG H H 1 8.290 0.030 . 1 . . . . 40 ARG H . 10038 1 410 . 1 1 40 40 ARG HA H 1 4.143 0.030 . 1 . . . . 40 ARG HA . 10038 1 411 . 1 1 40 40 ARG HB2 H 1 1.852 0.030 . 2 . . . . 40 ARG HB2 . 10038 1 412 . 1 1 40 40 ARG HB3 H 1 1.871 0.030 . 2 . . . . 40 ARG HB3 . 10038 1 413 . 1 1 40 40 ARG HG2 H 1 1.684 0.030 . 1 . . . . 40 ARG HG2 . 10038 1 414 . 1 1 40 40 ARG HG3 H 1 1.684 0.030 . 1 . . . . 40 ARG HG3 . 10038 1 415 . 1 1 40 40 ARG HD2 H 1 3.228 0.030 . 2 . . . . 40 ARG HD2 . 10038 1 416 . 1 1 40 40 ARG HD3 H 1 3.182 0.030 . 2 . . . . 40 ARG HD3 . 10038 1 417 . 1 1 40 40 ARG C C 13 176.612 0.300 . 1 . . . . 40 ARG C . 10038 1 418 . 1 1 40 40 ARG CA C 13 57.627 0.300 . 1 . . . . 40 ARG CA . 10038 1 419 . 1 1 40 40 ARG CB C 13 30.313 0.300 . 1 . . . . 40 ARG CB . 10038 1 420 . 1 1 40 40 ARG CG C 13 27.191 0.300 . 1 . . . . 40 ARG CG . 10038 1 421 . 1 1 40 40 ARG CD C 13 43.390 0.300 . 1 . . . . 40 ARG CD . 10038 1 422 . 1 1 40 40 ARG N N 15 121.097 0.300 . 1 . . . . 40 ARG N . 10038 1 423 . 1 1 41 41 ASN H H 1 7.834 0.030 . 1 . . . . 41 ASN H . 10038 1 424 . 1 1 41 41 ASN HA H 1 4.827 0.030 . 1 . . . . 41 ASN HA . 10038 1 425 . 1 1 41 41 ASN HB2 H 1 2.967 0.030 . 2 . . . . 41 ASN HB2 . 10038 1 426 . 1 1 41 41 ASN HB3 H 1 2.644 0.030 . 2 . . . . 41 ASN HB3 . 10038 1 427 . 1 1 41 41 ASN HD21 H 1 7.590 0.030 . 2 . . . . 41 ASN HD21 . 10038 1 428 . 1 1 41 41 ASN HD22 H 1 6.926 0.030 . 2 . . . . 41 ASN HD22 . 10038 1 429 . 1 1 41 41 ASN C C 13 174.729 0.300 . 1 . . . . 41 ASN C . 10038 1 430 . 1 1 41 41 ASN CA C 13 53.089 0.300 . 1 . . . . 41 ASN CA . 10038 1 431 . 1 1 41 41 ASN CB C 13 39.459 0.300 . 1 . . . . 41 ASN CB . 10038 1 432 . 1 1 41 41 ASN N N 15 117.869 0.300 . 1 . . . . 41 ASN N . 10038 1 433 . 1 1 41 41 ASN ND2 N 15 112.510 0.300 . 1 . . . . 41 ASN ND2 . 10038 1 434 . 1 1 42 42 ALA H H 1 7.692 0.030 . 1 . . . . 42 ALA H . 10038 1 435 . 1 1 42 42 ALA HA H 1 4.228 0.030 . 1 . . . . 42 ALA HA . 10038 1 436 . 1 1 42 42 ALA HB1 H 1 1.397 0.030 . 1 . . . . 42 ALA HB . 10038 1 437 . 1 1 42 42 ALA HB2 H 1 1.397 0.030 . 1 . . . . 42 ALA HB . 10038 1 438 . 1 1 42 42 ALA HB3 H 1 1.397 0.030 . 1 . . . . 42 ALA HB . 10038 1 439 . 1 1 42 42 ALA C C 13 176.874 0.300 . 1 . . . . 42 ALA C . 10038 1 440 . 1 1 42 42 ALA CA C 13 53.273 0.300 . 1 . . . . 42 ALA CA . 10038 1 441 . 1 1 42 42 ALA CB C 13 19.555 0.300 . 1 . . . . 42 ALA CB . 10038 1 442 . 1 1 42 42 ALA N N 15 122.900 0.300 . 1 . . . . 42 ALA N . 10038 1 443 . 1 1 43 43 ALA H H 1 8.373 0.030 . 1 . . . . 43 ALA H . 10038 1 444 . 1 1 43 43 ALA HA H 1 4.516 0.030 . 1 . . . . 43 ALA HA . 10038 1 445 . 1 1 43 43 ALA HB1 H 1 1.307 0.030 . 1 . . . . 43 ALA HB . 10038 1 446 . 1 1 43 43 ALA HB2 H 1 1.307 0.030 . 1 . . . . 43 ALA HB . 10038 1 447 . 1 1 43 43 ALA HB3 H 1 1.307 0.030 . 1 . . . . 43 ALA HB . 10038 1 448 . 1 1 43 43 ALA C C 13 175.698 0.300 . 1 . . . . 43 ALA C . 10038 1 449 . 1 1 43 43 ALA CA C 13 51.331 0.300 . 1 . . . . 43 ALA CA . 10038 1 450 . 1 1 43 43 ALA CB C 13 19.758 0.300 . 1 . . . . 43 ALA CB . 10038 1 451 . 1 1 43 43 ALA N N 15 121.821 0.300 . 1 . . . . 43 ALA N . 10038 1 452 . 1 1 44 44 VAL H H 1 7.864 0.030 . 1 . . . . 44 VAL H . 10038 1 453 . 1 1 44 44 VAL HA H 1 4.852 0.030 . 1 . . . . 44 VAL HA . 10038 1 454 . 1 1 44 44 VAL HB H 1 1.783 0.030 . 1 . . . . 44 VAL HB . 10038 1 455 . 1 1 44 44 VAL HG11 H 1 0.708 0.030 . 1 . . . . 44 VAL HG1 . 10038 1 456 . 1 1 44 44 VAL HG12 H 1 0.708 0.030 . 1 . . . . 44 VAL HG1 . 10038 1 457 . 1 1 44 44 VAL HG13 H 1 0.708 0.030 . 1 . . . . 44 VAL HG1 . 10038 1 458 . 1 1 44 44 VAL HG21 H 1 0.785 0.030 . 1 . . . . 44 VAL HG2 . 10038 1 459 . 1 1 44 44 VAL HG22 H 1 0.785 0.030 . 1 . . . . 44 VAL HG2 . 10038 1 460 . 1 1 44 44 VAL HG23 H 1 0.785 0.030 . 1 . . . . 44 VAL HG2 . 10038 1 461 . 1 1 44 44 VAL C C 13 175.964 0.300 . 1 . . . . 44 VAL C . 10038 1 462 . 1 1 44 44 VAL CA C 13 60.119 0.300 . 1 . . . . 44 VAL CA . 10038 1 463 . 1 1 44 44 VAL CB C 13 34.737 0.300 . 1 . . . . 44 VAL CB . 10038 1 464 . 1 1 44 44 VAL CG1 C 13 20.685 0.300 . 2 . . . . 44 VAL CG1 . 10038 1 465 . 1 1 44 44 VAL CG2 C 13 21.276 0.300 . 2 . . . . 44 VAL CG2 . 10038 1 466 . 1 1 44 44 VAL N N 15 119.816 0.300 . 1 . . . . 44 VAL N . 10038 1 467 . 1 1 45 45 CYS H H 1 9.134 0.030 . 1 . . . . 45 CYS H . 10038 1 468 . 1 1 45 45 CYS HA H 1 4.671 0.030 . 1 . . . . 45 CYS HA . 10038 1 469 . 1 1 45 45 CYS HB2 H 1 3.458 0.030 . 2 . . . . 45 CYS HB2 . 10038 1 470 . 1 1 45 45 CYS HB3 H 1 2.966 0.030 . 2 . . . . 45 CYS HB3 . 10038 1 471 . 1 1 45 45 CYS C C 13 175.964 0.300 . 1 . . . . 45 CYS C . 10038 1 472 . 1 1 45 45 CYS CA C 13 57.565 0.300 . 1 . . . . 45 CYS CA . 10038 1 473 . 1 1 45 45 CYS CB C 13 31.915 0.300 . 1 . . . . 45 CYS CB . 10038 1 474 . 1 1 45 45 CYS N N 15 130.449 0.300 . 1 . . . . 45 CYS N . 10038 1 475 . 1 1 46 46 PRO HA H 1 4.271 0.030 . 1 . . . . 46 PRO HA . 10038 1 476 . 1 1 46 46 PRO HB2 H 1 2.024 0.030 . 2 . . . . 46 PRO HB2 . 10038 1 477 . 1 1 46 46 PRO HB3 H 1 1.225 0.030 . 2 . . . . 46 PRO HB3 . 10038 1 478 . 1 1 46 46 PRO HG2 H 1 1.768 0.030 . 2 . . . . 46 PRO HG2 . 10038 1 479 . 1 1 46 46 PRO HG3 H 1 0.947 0.030 . 2 . . . . 46 PRO HG3 . 10038 1 480 . 1 1 46 46 PRO HD2 H 1 3.844 0.030 . 2 . . . . 46 PRO HD2 . 10038 1 481 . 1 1 46 46 PRO HD3 H 1 4.086 0.030 . 2 . . . . 46 PRO HD3 . 10038 1 482 . 1 1 46 46 PRO C C 13 176.140 0.300 . 1 . . . . 46 PRO C . 10038 1 483 . 1 1 46 46 PRO CA C 13 63.794 0.300 . 1 . . . . 46 PRO CA . 10038 1 484 . 1 1 46 46 PRO CB C 13 31.974 0.300 . 1 . . . . 46 PRO CB . 10038 1 485 . 1 1 46 46 PRO CG C 13 25.936 0.300 . 1 . . . . 46 PRO CG . 10038 1 486 . 1 1 46 46 PRO CD C 13 51.501 0.300 . 1 . . . . 46 PRO CD . 10038 1 487 . 1 1 47 47 TYR H H 1 8.906 0.030 . 1 . . . . 47 TYR H . 10038 1 488 . 1 1 47 47 TYR HA H 1 4.586 0.030 . 1 . . . . 47 TYR HA . 10038 1 489 . 1 1 47 47 TYR HB2 H 1 2.819 0.030 . 2 . . . . 47 TYR HB2 . 10038 1 490 . 1 1 47 47 TYR HB3 H 1 3.572 0.030 . 2 . . . . 47 TYR HB3 . 10038 1 491 . 1 1 47 47 TYR HD1 H 1 7.236 0.030 . 1 . . . . 47 TYR HD1 . 10038 1 492 . 1 1 47 47 TYR HD2 H 1 7.236 0.030 . 1 . . . . 47 TYR HD2 . 10038 1 493 . 1 1 47 47 TYR HE1 H 1 6.892 0.030 . 1 . . . . 47 TYR HE1 . 10038 1 494 . 1 1 47 47 TYR HE2 H 1 6.892 0.030 . 1 . . . . 47 TYR HE2 . 10038 1 495 . 1 1 47 47 TYR C C 13 176.244 0.300 . 1 . . . . 47 TYR C . 10038 1 496 . 1 1 47 47 TYR CA C 13 58.569 0.300 . 1 . . . . 47 TYR CA . 10038 1 497 . 1 1 47 47 TYR CB C 13 38.403 0.300 . 1 . . . . 47 TYR CB . 10038 1 498 . 1 1 47 47 TYR CD1 C 13 133.302 0.300 . 1 . . . . 47 TYR CD1 . 10038 1 499 . 1 1 47 47 TYR CD2 C 13 133.302 0.300 . 1 . . . . 47 TYR CD2 . 10038 1 500 . 1 1 47 47 TYR CE1 C 13 118.501 0.300 . 1 . . . . 47 TYR CE1 . 10038 1 501 . 1 1 47 47 TYR CE2 C 13 118.501 0.300 . 1 . . . . 47 TYR CE2 . 10038 1 502 . 1 1 47 47 TYR N N 15 120.677 0.300 . 1 . . . . 47 TYR N . 10038 1 503 . 1 1 48 48 CYS H H 1 8.180 0.030 . 1 . . . . 48 CYS H . 10038 1 504 . 1 1 48 48 CYS HA H 1 4.683 0.030 . 1 . . . . 48 CYS HA . 10038 1 505 . 1 1 48 48 CYS HB2 H 1 2.924 0.030 . 2 . . . . 48 CYS HB2 . 10038 1 506 . 1 1 48 48 CYS HB3 H 1 2.424 0.030 . 2 . . . . 48 CYS HB3 . 10038 1 507 . 1 1 48 48 CYS C C 13 176.034 0.300 . 1 . . . . 48 CYS C . 10038 1 508 . 1 1 48 48 CYS CA C 13 58.016 0.300 . 1 . . . . 48 CYS CA . 10038 1 509 . 1 1 48 48 CYS CB C 13 33.069 0.300 . 1 . . . . 48 CYS CB . 10038 1 510 . 1 1 48 48 CYS N N 15 116.043 0.300 . 1 . . . . 48 CYS N . 10038 1 511 . 1 1 49 49 SER H H 1 7.770 0.030 . 1 . . . . 49 SER H . 10038 1 512 . 1 1 49 49 SER HA H 1 4.131 0.030 . 1 . . . . 49 SER HA . 10038 1 513 . 1 1 49 49 SER HB2 H 1 3.927 0.030 . 2 . . . . 49 SER HB2 . 10038 1 514 . 1 1 49 49 SER HB3 H 1 4.091 0.030 . 2 . . . . 49 SER HB3 . 10038 1 515 . 1 1 49 49 SER C C 13 173.048 0.300 . 1 . . . . 49 SER C . 10038 1 516 . 1 1 49 49 SER CA C 13 61.015 0.300 . 1 . . . . 49 SER CA . 10038 1 517 . 1 1 49 49 SER CB C 13 62.046 0.300 . 1 . . . . 49 SER CB . 10038 1 518 . 1 1 49 49 SER N N 15 114.548 0.300 . 1 . . . . 49 SER N . 10038 1 519 . 1 1 50 50 LEU H H 1 8.055 0.030 . 1 . . . . 50 LEU H . 10038 1 520 . 1 1 50 50 LEU HA H 1 4.050 0.030 . 1 . . . . 50 LEU HA . 10038 1 521 . 1 1 50 50 LEU HB2 H 1 1.503 0.030 . 2 . . . . 50 LEU HB2 . 10038 1 522 . 1 1 50 50 LEU HB3 H 1 0.894 0.030 . 2 . . . . 50 LEU HB3 . 10038 1 523 . 1 1 50 50 LEU HG H 1 1.590 0.030 . 1 . . . . 50 LEU HG . 10038 1 524 . 1 1 50 50 LEU HD11 H 1 0.816 0.030 . 1 . . . . 50 LEU HD1 . 10038 1 525 . 1 1 50 50 LEU HD12 H 1 0.816 0.030 . 1 . . . . 50 LEU HD1 . 10038 1 526 . 1 1 50 50 LEU HD13 H 1 0.816 0.030 . 1 . . . . 50 LEU HD1 . 10038 1 527 . 1 1 50 50 LEU HD21 H 1 0.698 0.030 . 1 . . . . 50 LEU HD2 . 10038 1 528 . 1 1 50 50 LEU HD22 H 1 0.698 0.030 . 1 . . . . 50 LEU HD2 . 10038 1 529 . 1 1 50 50 LEU HD23 H 1 0.698 0.030 . 1 . . . . 50 LEU HD2 . 10038 1 530 . 1 1 50 50 LEU C C 13 174.973 0.300 . 1 . . . . 50 LEU C . 10038 1 531 . 1 1 50 50 LEU CA C 13 56.215 0.300 . 1 . . . . 50 LEU CA . 10038 1 532 . 1 1 50 50 LEU CB C 13 42.967 0.300 . 1 . . . . 50 LEU CB . 10038 1 533 . 1 1 50 50 LEU CG C 13 27.042 0.300 . 1 . . . . 50 LEU CG . 10038 1 534 . 1 1 50 50 LEU CD1 C 13 24.986 0.300 . 2 . . . . 50 LEU CD1 . 10038 1 535 . 1 1 50 50 LEU CD2 C 13 23.445 0.300 . 2 . . . . 50 LEU CD2 . 10038 1 536 . 1 1 50 50 LEU N N 15 123.825 0.300 . 1 . . . . 50 LEU N . 10038 1 537 . 1 1 51 51 ARG H H 1 7.762 0.030 . 1 . . . . 51 ARG H . 10038 1 538 . 1 1 51 51 ARG HA H 1 4.682 0.030 . 1 . . . . 51 ARG HA . 10038 1 539 . 1 1 51 51 ARG HB2 H 1 1.522 0.030 . 1 . . . . 51 ARG HB2 . 10038 1 540 . 1 1 51 51 ARG HB3 H 1 1.522 0.030 . 1 . . . . 51 ARG HB3 . 10038 1 541 . 1 1 51 51 ARG HG2 H 1 1.340 0.030 . 2 . . . . 51 ARG HG2 . 10038 1 542 . 1 1 51 51 ARG HG3 H 1 1.524 0.030 . 2 . . . . 51 ARG HG3 . 10038 1 543 . 1 1 51 51 ARG HD2 H 1 3.091 0.030 . 1 . . . . 51 ARG HD2 . 10038 1 544 . 1 1 51 51 ARG HD3 H 1 3.091 0.030 . 1 . . . . 51 ARG HD3 . 10038 1 545 . 1 1 51 51 ARG C C 13 175.626 0.300 . 1 . . . . 51 ARG C . 10038 1 546 . 1 1 51 51 ARG CA C 13 55.261 0.300 . 1 . . . . 51 ARG CA . 10038 1 547 . 1 1 51 51 ARG CB C 13 32.235 0.300 . 1 . . . . 51 ARG CB . 10038 1 548 . 1 1 51 51 ARG CG C 13 28.289 0.300 . 1 . . . . 51 ARG CG . 10038 1 549 . 1 1 51 51 ARG CD C 13 43.417 0.300 . 1 . . . . 51 ARG CD . 10038 1 550 . 1 1 51 51 ARG N N 15 119.896 0.300 . 1 . . . . 51 ARG N . 10038 1 551 . 1 1 52 52 PHE H H 1 8.702 0.030 . 1 . . . . 52 PHE H . 10038 1 552 . 1 1 52 52 PHE HA H 1 4.539 0.030 . 1 . . . . 52 PHE HA . 10038 1 553 . 1 1 52 52 PHE HB2 H 1 3.116 0.030 . 2 . . . . 52 PHE HB2 . 10038 1 554 . 1 1 52 52 PHE HB3 H 1 2.716 0.030 . 2 . . . . 52 PHE HB3 . 10038 1 555 . 1 1 52 52 PHE HD1 H 1 7.105 0.030 . 1 . . . . 52 PHE HD1 . 10038 1 556 . 1 1 52 52 PHE HD2 H 1 7.105 0.030 . 1 . . . . 52 PHE HD2 . 10038 1 557 . 1 1 52 52 PHE HE1 H 1 6.895 0.030 . 1 . . . . 52 PHE HE1 . 10038 1 558 . 1 1 52 52 PHE HE2 H 1 6.895 0.030 . 1 . . . . 52 PHE HE2 . 10038 1 559 . 1 1 52 52 PHE HZ H 1 6.214 0.030 . 1 . . . . 52 PHE HZ . 10038 1 560 . 1 1 52 52 PHE C C 13 175.818 0.300 . 1 . . . . 52 PHE C . 10038 1 561 . 1 1 52 52 PHE CA C 13 57.086 0.300 . 1 . . . . 52 PHE CA . 10038 1 562 . 1 1 52 52 PHE CB C 13 43.317 0.300 . 1 . . . . 52 PHE CB . 10038 1 563 . 1 1 52 52 PHE CD1 C 13 131.593 0.300 . 1 . . . . 52 PHE CD1 . 10038 1 564 . 1 1 52 52 PHE CD2 C 13 131.593 0.300 . 1 . . . . 52 PHE CD2 . 10038 1 565 . 1 1 52 52 PHE CE1 C 13 130.995 0.300 . 1 . . . . 52 PHE CE1 . 10038 1 566 . 1 1 52 52 PHE CE2 C 13 130.995 0.300 . 1 . . . . 52 PHE CE2 . 10038 1 567 . 1 1 52 52 PHE CZ C 13 129.247 0.300 . 1 . . . . 52 PHE CZ . 10038 1 568 . 1 1 52 52 PHE N N 15 120.682 0.300 . 1 . . . . 52 PHE N . 10038 1 569 . 1 1 53 53 PHE H H 1 8.982 0.030 . 1 . . . . 53 PHE H . 10038 1 570 . 1 1 53 53 PHE HA H 1 4.539 0.030 . 1 . . . . 53 PHE HA . 10038 1 571 . 1 1 53 53 PHE HB2 H 1 3.273 0.030 . 2 . . . . 53 PHE HB2 . 10038 1 572 . 1 1 53 53 PHE HB3 H 1 3.142 0.030 . 2 . . . . 53 PHE HB3 . 10038 1 573 . 1 1 53 53 PHE HD1 H 1 7.279 0.030 . 1 . . . . 53 PHE HD1 . 10038 1 574 . 1 1 53 53 PHE HD2 H 1 7.279 0.030 . 1 . . . . 53 PHE HD2 . 10038 1 575 . 1 1 53 53 PHE HE1 H 1 7.339 0.030 . 1 . . . . 53 PHE HE1 . 10038 1 576 . 1 1 53 53 PHE HE2 H 1 7.339 0.030 . 1 . . . . 53 PHE HE2 . 10038 1 577 . 1 1 53 53 PHE HZ H 1 7.251 0.030 . 1 . . . . 53 PHE HZ . 10038 1 578 . 1 1 53 53 PHE C C 13 174.972 0.300 . 1 . . . . 53 PHE C . 10038 1 579 . 1 1 53 53 PHE CA C 13 58.889 0.300 . 1 . . . . 53 PHE CA . 10038 1 580 . 1 1 53 53 PHE CB C 13 39.293 0.300 . 1 . . . . 53 PHE CB . 10038 1 581 . 1 1 53 53 PHE CD1 C 13 131.485 0.300 . 1 . . . . 53 PHE CD1 . 10038 1 582 . 1 1 53 53 PHE CD2 C 13 131.485 0.300 . 1 . . . . 53 PHE CD2 . 10038 1 583 . 1 1 53 53 PHE CE1 C 13 131.460 0.300 . 1 . . . . 53 PHE CE1 . 10038 1 584 . 1 1 53 53 PHE CE2 C 13 131.460 0.300 . 1 . . . . 53 PHE CE2 . 10038 1 585 . 1 1 53 53 PHE CZ C 13 129.851 0.300 . 1 . . . . 53 PHE CZ . 10038 1 586 . 1 1 53 53 PHE N N 15 118.809 0.300 . 1 . . . . 53 PHE N . 10038 1 587 . 1 1 54 54 SER H H 1 7.476 0.030 . 1 . . . . 54 SER H . 10038 1 588 . 1 1 54 54 SER HA H 1 5.156 0.030 . 1 . . . . 54 SER HA . 10038 1 589 . 1 1 54 54 SER HB2 H 1 4.326 0.030 . 2 . . . . 54 SER HB2 . 10038 1 590 . 1 1 54 54 SER HB3 H 1 3.920 0.030 . 2 . . . . 54 SER HB3 . 10038 1 591 . 1 1 54 54 SER C C 13 174.972 0.300 . 1 . . . . 54 SER C . 10038 1 592 . 1 1 54 54 SER CA C 13 54.760 0.300 . 1 . . . . 54 SER CA . 10038 1 593 . 1 1 54 54 SER CB C 13 65.009 0.300 . 1 . . . . 54 SER CB . 10038 1 594 . 1 1 54 54 SER N N 15 110.442 0.300 . 1 . . . . 54 SER N . 10038 1 595 . 1 1 55 55 PRO HA H 1 4.259 0.030 . 1 . . . . 55 PRO HA . 10038 1 596 . 1 1 55 55 PRO HB2 H 1 2.414 0.030 . 2 . . . . 55 PRO HB2 . 10038 1 597 . 1 1 55 55 PRO HB3 H 1 1.991 0.030 . 2 . . . . 55 PRO HB3 . 10038 1 598 . 1 1 55 55 PRO HG2 H 1 2.253 0.030 . 2 . . . . 55 PRO HG2 . 10038 1 599 . 1 1 55 55 PRO HG3 H 1 1.960 0.030 . 2 . . . . 55 PRO HG3 . 10038 1 600 . 1 1 55 55 PRO HD2 H 1 4.046 0.030 . 2 . . . . 55 PRO HD2 . 10038 1 601 . 1 1 55 55 PRO HD3 H 1 3.984 0.030 . 2 . . . . 55 PRO HD3 . 10038 1 602 . 1 1 55 55 PRO C C 13 178.636 0.300 . 1 . . . . 55 PRO C . 10038 1 603 . 1 1 55 55 PRO CA C 13 64.973 0.300 . 1 . . . . 55 PRO CA . 10038 1 604 . 1 1 55 55 PRO CB C 13 32.094 0.300 . 1 . . . . 55 PRO CB . 10038 1 605 . 1 1 55 55 PRO CG C 13 27.888 0.300 . 1 . . . . 55 PRO CG . 10038 1 606 . 1 1 55 55 PRO CD C 13 51.273 0.300 . 1 . . . . 55 PRO CD . 10038 1 607 . 1 1 56 56 GLU H H 1 8.898 0.030 . 1 . . . . 56 GLU H . 10038 1 608 . 1 1 56 56 GLU HA H 1 4.042 0.030 . 1 . . . . 56 GLU HA . 10038 1 609 . 1 1 56 56 GLU HB2 H 1 1.982 0.030 . 2 . . . . 56 GLU HB2 . 10038 1 610 . 1 1 56 56 GLU HB3 H 1 2.087 0.030 . 2 . . . . 56 GLU HB3 . 10038 1 611 . 1 1 56 56 GLU HG2 H 1 2.468 0.030 . 2 . . . . 56 GLU HG2 . 10038 1 612 . 1 1 56 56 GLU HG3 H 1 2.294 0.030 . 2 . . . . 56 GLU HG3 . 10038 1 613 . 1 1 56 56 GLU C C 13 179.508 0.300 . 1 . . . . 56 GLU C . 10038 1 614 . 1 1 56 56 GLU CA C 13 60.692 0.300 . 1 . . . . 56 GLU CA . 10038 1 615 . 1 1 56 56 GLU CB C 13 28.594 0.300 . 1 . . . . 56 GLU CB . 10038 1 616 . 1 1 56 56 GLU CG C 13 37.186 0.300 . 1 . . . . 56 GLU CG . 10038 1 617 . 1 1 56 56 GLU N N 15 118.782 0.300 . 1 . . . . 56 GLU N . 10038 1 618 . 1 1 57 57 LEU H H 1 7.700 0.030 . 1 . . . . 57 LEU H . 10038 1 619 . 1 1 57 57 LEU HA H 1 4.163 0.030 . 1 . . . . 57 LEU HA . 10038 1 620 . 1 1 57 57 LEU HB2 H 1 1.987 0.030 . 2 . . . . 57 LEU HB2 . 10038 1 621 . 1 1 57 57 LEU HB3 H 1 1.689 0.030 . 2 . . . . 57 LEU HB3 . 10038 1 622 . 1 1 57 57 LEU HG H 1 1.771 0.030 . 1 . . . . 57 LEU HG . 10038 1 623 . 1 1 57 57 LEU HD11 H 1 1.206 0.030 . 1 . . . . 57 LEU HD1 . 10038 1 624 . 1 1 57 57 LEU HD12 H 1 1.206 0.030 . 1 . . . . 57 LEU HD1 . 10038 1 625 . 1 1 57 57 LEU HD13 H 1 1.206 0.030 . 1 . . . . 57 LEU HD1 . 10038 1 626 . 1 1 57 57 LEU HD21 H 1 1.028 0.030 . 1 . . . . 57 LEU HD2 . 10038 1 627 . 1 1 57 57 LEU HD22 H 1 1.028 0.030 . 1 . . . . 57 LEU HD2 . 10038 1 628 . 1 1 57 57 LEU HD23 H 1 1.028 0.030 . 1 . . . . 57 LEU HD2 . 10038 1 629 . 1 1 57 57 LEU C C 13 179.755 0.300 . 1 . . . . 57 LEU C . 10038 1 630 . 1 1 57 57 LEU CA C 13 57.378 0.300 . 1 . . . . 57 LEU CA . 10038 1 631 . 1 1 57 57 LEU CB C 13 41.960 0.300 . 1 . . . . 57 LEU CB . 10038 1 632 . 1 1 57 57 LEU CG C 13 27.655 0.300 . 1 . . . . 57 LEU CG . 10038 1 633 . 1 1 57 57 LEU CD1 C 13 25.931 0.300 . 2 . . . . 57 LEU CD1 . 10038 1 634 . 1 1 57 57 LEU CD2 C 13 22.947 0.300 . 2 . . . . 57 LEU CD2 . 10038 1 635 . 1 1 57 57 LEU N N 15 120.786 0.300 . 1 . . . . 57 LEU N . 10038 1 636 . 1 1 58 58 LYS H H 1 7.527 0.030 . 1 . . . . 58 LYS H . 10038 1 637 . 1 1 58 58 LYS HA H 1 2.775 0.030 . 1 . . . . 58 LYS HA . 10038 1 638 . 1 1 58 58 LYS HB2 H 1 1.974 0.030 . 2 . . . . 58 LYS HB2 . 10038 1 639 . 1 1 58 58 LYS HB3 H 1 1.674 0.030 . 2 . . . . 58 LYS HB3 . 10038 1 640 . 1 1 58 58 LYS HG2 H 1 1.224 0.030 . 1 . . . . 58 LYS HG2 . 10038 1 641 . 1 1 58 58 LYS HG3 H 1 1.224 0.030 . 1 . . . . 58 LYS HG3 . 10038 1 642 . 1 1 58 58 LYS HD2 H 1 1.607 0.030 . 1 . . . . 58 LYS HD2 . 10038 1 643 . 1 1 58 58 LYS HD3 H 1 1.607 0.030 . 1 . . . . 58 LYS HD3 . 10038 1 644 . 1 1 58 58 LYS HE2 H 1 2.925 0.030 . 1 . . . . 58 LYS HE2 . 10038 1 645 . 1 1 58 58 LYS HE3 H 1 2.925 0.030 . 1 . . . . 58 LYS HE3 . 10038 1 646 . 1 1 58 58 LYS C C 13 177.877 0.300 . 1 . . . . 58 LYS C . 10038 1 647 . 1 1 58 58 LYS CA C 13 59.577 0.300 . 1 . . . . 58 LYS CA . 10038 1 648 . 1 1 58 58 LYS CB C 13 31.873 0.300 . 1 . . . . 58 LYS CB . 10038 1 649 . 1 1 58 58 LYS CG C 13 23.940 0.300 . 1 . . . . 58 LYS CG . 10038 1 650 . 1 1 58 58 LYS CD C 13 29.858 0.300 . 1 . . . . 58 LYS CD . 10038 1 651 . 1 1 58 58 LYS CE C 13 42.195 0.300 . 1 . . . . 58 LYS CE . 10038 1 652 . 1 1 58 58 LYS N N 15 122.248 0.300 . 1 . . . . 58 LYS N . 10038 1 653 . 1 1 59 59 GLN H H 1 8.370 0.030 . 1 . . . . 59 GLN H . 10038 1 654 . 1 1 59 59 GLN HA H 1 4.059 0.030 . 1 . . . . 59 GLN HA . 10038 1 655 . 1 1 59 59 GLN HB2 H 1 2.170 0.030 . 1 . . . . 59 GLN HB2 . 10038 1 656 . 1 1 59 59 GLN HB3 H 1 2.170 0.030 . 1 . . . . 59 GLN HB3 . 10038 1 657 . 1 1 59 59 GLN HG2 H 1 2.511 0.030 . 2 . . . . 59 GLN HG2 . 10038 1 658 . 1 1 59 59 GLN HG3 H 1 2.458 0.030 . 2 . . . . 59 GLN HG3 . 10038 1 659 . 1 1 59 59 GLN HE21 H 1 6.883 0.030 . 2 . . . . 59 GLN HE21 . 10038 1 660 . 1 1 59 59 GLN HE22 H 1 7.462 0.030 . 2 . . . . 59 GLN HE22 . 10038 1 661 . 1 1 59 59 GLN C C 13 178.858 0.300 . 1 . . . . 59 GLN C . 10038 1 662 . 1 1 59 59 GLN CA C 13 59.043 0.300 . 1 . . . . 59 GLN CA . 10038 1 663 . 1 1 59 59 GLN CB C 13 28.149 0.300 . 1 . . . . 59 GLN CB . 10038 1 664 . 1 1 59 59 GLN CG C 13 34.093 0.300 . 1 . . . . 59 GLN CG . 10038 1 665 . 1 1 59 59 GLN N N 15 119.802 0.300 . 1 . . . . 59 GLN N . 10038 1 666 . 1 1 59 59 GLN NE2 N 15 111.417 0.300 . 1 . . . . 59 GLN NE2 . 10038 1 667 . 1 1 60 60 GLU H H 1 7.767 0.030 . 1 . . . . 60 GLU H . 10038 1 668 . 1 1 60 60 GLU HA H 1 4.051 0.030 . 1 . . . . 60 GLU HA . 10038 1 669 . 1 1 60 60 GLU HB2 H 1 2.076 0.030 . 1 . . . . 60 GLU HB2 . 10038 1 670 . 1 1 60 60 GLU HB3 H 1 2.076 0.030 . 1 . . . . 60 GLU HB3 . 10038 1 671 . 1 1 60 60 GLU HG2 H 1 2.380 0.030 . 2 . . . . 60 GLU HG2 . 10038 1 672 . 1 1 60 60 GLU HG3 H 1 2.236 0.030 . 2 . . . . 60 GLU HG3 . 10038 1 673 . 1 1 60 60 GLU C C 13 178.828 0.300 . 1 . . . . 60 GLU C . 10038 1 674 . 1 1 60 60 GLU CA C 13 59.098 0.300 . 1 . . . . 60 GLU CA . 10038 1 675 . 1 1 60 60 GLU CB C 13 29.692 0.300 . 1 . . . . 60 GLU CB . 10038 1 676 . 1 1 60 60 GLU CG C 13 36.074 0.300 . 1 . . . . 60 GLU CG . 10038 1 677 . 1 1 60 60 GLU N N 15 119.778 0.300 . 1 . . . . 60 GLU N . 10038 1 678 . 1 1 61 61 HIS H H 1 7.627 0.030 . 1 . . . . 61 HIS H . 10038 1 679 . 1 1 61 61 HIS HA H 1 4.218 0.030 . 1 . . . . 61 HIS HA . 10038 1 680 . 1 1 61 61 HIS HB2 H 1 2.918 0.030 . 1 . . . . 61 HIS HB2 . 10038 1 681 . 1 1 61 61 HIS HB3 H 1 2.918 0.030 . 1 . . . . 61 HIS HB3 . 10038 1 682 . 1 1 61 61 HIS HD2 H 1 7.066 0.030 . 1 . . . . 61 HIS HD2 . 10038 1 683 . 1 1 61 61 HIS HE1 H 1 8.238 0.030 . 1 . . . . 61 HIS HE1 . 10038 1 684 . 1 1 61 61 HIS C C 13 177.773 0.300 . 1 . . . . 61 HIS C . 10038 1 685 . 1 1 61 61 HIS CA C 13 59.243 0.300 . 1 . . . . 61 HIS CA . 10038 1 686 . 1 1 61 61 HIS CB C 13 28.199 0.300 . 1 . . . . 61 HIS CB . 10038 1 687 . 1 1 61 61 HIS CD2 C 13 128.377 0.300 . 1 . . . . 61 HIS CD2 . 10038 1 688 . 1 1 61 61 HIS CE1 C 13 139.406 0.300 . 1 . . . . 61 HIS CE1 . 10038 1 689 . 1 1 61 61 HIS N N 15 117.992 0.300 . 1 . . . . 61 HIS N . 10038 1 690 . 1 1 62 62 GLU H H 1 8.659 0.030 . 1 . . . . 62 GLU H . 10038 1 691 . 1 1 62 62 GLU HA H 1 3.869 0.030 . 1 . . . . 62 GLU HA . 10038 1 692 . 1 1 62 62 GLU HB2 H 1 2.343 0.030 . 2 . . . . 62 GLU HB2 . 10038 1 693 . 1 1 62 62 GLU HB3 H 1 2.176 0.030 . 2 . . . . 62 GLU HB3 . 10038 1 694 . 1 1 62 62 GLU HG2 H 1 2.613 0.030 . 1 . . . . 62 GLU HG2 . 10038 1 695 . 1 1 62 62 GLU HG3 H 1 2.613 0.030 . 1 . . . . 62 GLU HG3 . 10038 1 696 . 1 1 62 62 GLU C C 13 177.677 0.300 . 1 . . . . 62 GLU C . 10038 1 697 . 1 1 62 62 GLU CA C 13 60.549 0.300 . 1 . . . . 62 GLU CA . 10038 1 698 . 1 1 62 62 GLU CB C 13 30.319 0.300 . 1 . . . . 62 GLU CB . 10038 1 699 . 1 1 62 62 GLU CG C 13 37.178 0.300 . 1 . . . . 62 GLU CG . 10038 1 700 . 1 1 62 62 GLU N N 15 119.668 0.300 . 1 . . . . 62 GLU N . 10038 1 701 . 1 1 63 63 SER H H 1 7.328 0.030 . 1 . . . . 63 SER H . 10038 1 702 . 1 1 63 63 SER HA H 1 4.256 0.030 . 1 . . . . 63 SER HA . 10038 1 703 . 1 1 63 63 SER HB2 H 1 3.987 0.030 . 1 . . . . 63 SER HB2 . 10038 1 704 . 1 1 63 63 SER HB3 H 1 3.987 0.030 . 1 . . . . 63 SER HB3 . 10038 1 705 . 1 1 63 63 SER C C 13 174.792 0.300 . 1 . . . . 63 SER C . 10038 1 706 . 1 1 63 63 SER CA C 13 60.680 0.300 . 1 . . . . 63 SER CA . 10038 1 707 . 1 1 63 63 SER CB C 13 63.475 0.300 . 1 . . . . 63 SER CB . 10038 1 708 . 1 1 63 63 SER N N 15 110.513 0.300 . 1 . . . . 63 SER N . 10038 1 709 . 1 1 64 64 LYS H H 1 7.457 0.030 . 1 . . . . 64 LYS H . 10038 1 710 . 1 1 64 64 LYS HA H 1 4.510 0.030 . 1 . . . . 64 LYS HA . 10038 1 711 . 1 1 64 64 LYS HB2 H 1 1.910 0.030 . 2 . . . . 64 LYS HB2 . 10038 1 712 . 1 1 64 64 LYS HB3 H 1 1.724 0.030 . 2 . . . . 64 LYS HB3 . 10038 1 713 . 1 1 64 64 LYS HG2 H 1 1.409 0.030 . 1 . . . . 64 LYS HG2 . 10038 1 714 . 1 1 64 64 LYS HG3 H 1 1.409 0.030 . 1 . . . . 64 LYS HG3 . 10038 1 715 . 1 1 64 64 LYS HD2 H 1 1.693 0.030 . 2 . . . . 64 LYS HD2 . 10038 1 716 . 1 1 64 64 LYS HE2 H 1 2.979 0.030 . 2 . . . . 64 LYS HE2 . 10038 1 717 . 1 1 64 64 LYS C C 13 175.516 0.300 . 1 . . . . 64 LYS C . 10038 1 718 . 1 1 64 64 LYS CA C 13 55.132 0.300 . 1 . . . . 64 LYS CA . 10038 1 719 . 1 1 64 64 LYS CB C 13 33.836 0.300 . 1 . . . . 64 LYS CB . 10038 1 720 . 1 1 64 64 LYS CG C 13 24.351 0.300 . 1 . . . . 64 LYS CG . 10038 1 721 . 1 1 64 64 LYS CE C 13 42.252 0.300 . 1 . . . . 64 LYS CE . 10038 1 722 . 1 1 64 64 LYS N N 15 118.913 0.300 . 1 . . . . 64 LYS N . 10038 1 723 . 1 1 65 65 CYS H H 1 7.153 0.030 . 1 . . . . 65 CYS H . 10038 1 724 . 1 1 65 65 CYS HA H 1 3.806 0.030 . 1 . . . . 65 CYS HA . 10038 1 725 . 1 1 65 65 CYS HB2 H 1 2.832 0.030 . 2 . . . . 65 CYS HB2 . 10038 1 726 . 1 1 65 65 CYS HB3 H 1 2.385 0.030 . 2 . . . . 65 CYS HB3 . 10038 1 727 . 1 1 65 65 CYS C C 13 178.123 0.300 . 1 . . . . 65 CYS C . 10038 1 728 . 1 1 65 65 CYS CA C 13 61.828 0.300 . 1 . . . . 65 CYS CA . 10038 1 729 . 1 1 65 65 CYS CB C 13 29.205 0.300 . 1 . . . . 65 CYS CB . 10038 1 730 . 1 1 65 65 CYS N N 15 124.677 0.300 . 1 . . . . 65 CYS N . 10038 1 731 . 1 1 66 66 GLU H H 1 9.580 0.030 . 1 . . . . 66 GLU H . 10038 1 732 . 1 1 66 66 GLU HA H 1 4.050 0.030 . 1 . . . . 66 GLU HA . 10038 1 733 . 1 1 66 66 GLU HB2 H 1 1.920 0.030 . 2 . . . . 66 GLU HB2 . 10038 1 734 . 1 1 66 66 GLU HB3 H 1 1.960 0.030 . 2 . . . . 66 GLU HB3 . 10038 1 735 . 1 1 66 66 GLU HG2 H 1 2.233 0.030 . 2 . . . . 66 GLU HG2 . 10038 1 736 . 1 1 66 66 GLU C C 13 177.434 0.300 . 1 . . . . 66 GLU C . 10038 1 737 . 1 1 66 66 GLU CA C 13 58.969 0.300 . 1 . . . . 66 GLU CA . 10038 1 738 . 1 1 66 66 GLU CB C 13 29.610 0.300 . 1 . . . . 66 GLU CB . 10038 1 739 . 1 1 66 66 GLU CG C 13 36.224 0.300 . 1 . . . . 66 GLU CG . 10038 1 740 . 1 1 66 66 GLU N N 15 132.020 0.300 . 1 . . . . 66 GLU N . 10038 1 741 . 1 1 67 67 TYR H H 1 8.597 0.030 . 1 . . . . 67 TYR H . 10038 1 742 . 1 1 67 67 TYR HA H 1 4.198 0.030 . 1 . . . . 67 TYR HA . 10038 1 743 . 1 1 67 67 TYR HB2 H 1 3.074 0.030 . 2 . . . . 67 TYR HB2 . 10038 1 744 . 1 1 67 67 TYR HB3 H 1 2.856 0.030 . 2 . . . . 67 TYR HB3 . 10038 1 745 . 1 1 67 67 TYR HD1 H 1 7.253 0.030 . 1 . . . . 67 TYR HD1 . 10038 1 746 . 1 1 67 67 TYR HD2 H 1 7.253 0.030 . 1 . . . . 67 TYR HD2 . 10038 1 747 . 1 1 67 67 TYR HE1 H 1 6.945 0.030 . 1 . . . . 67 TYR HE1 . 10038 1 748 . 1 1 67 67 TYR HE2 H 1 6.945 0.030 . 1 . . . . 67 TYR HE2 . 10038 1 749 . 1 1 67 67 TYR C C 13 177.924 0.300 . 1 . . . . 67 TYR C . 10038 1 750 . 1 1 67 67 TYR CA C 13 60.227 0.300 . 1 . . . . 67 TYR CA . 10038 1 751 . 1 1 67 67 TYR CB C 13 38.146 0.300 . 1 . . . . 67 TYR CB . 10038 1 752 . 1 1 67 67 TYR CD1 C 13 133.277 0.300 . 1 . . . . 67 TYR CD1 . 10038 1 753 . 1 1 67 67 TYR CD2 C 13 133.277 0.300 . 1 . . . . 67 TYR CD2 . 10038 1 754 . 1 1 67 67 TYR CE1 C 13 118.488 0.300 . 1 . . . . 67 TYR CE1 . 10038 1 755 . 1 1 67 67 TYR CE2 C 13 118.488 0.300 . 1 . . . . 67 TYR CE2 . 10038 1 756 . 1 1 67 67 TYR N N 15 118.111 0.300 . 1 . . . . 67 TYR N . 10038 1 757 . 1 1 68 68 LYS H H 1 7.593 0.030 . 1 . . . . 68 LYS H . 10038 1 758 . 1 1 68 68 LYS HA H 1 3.204 0.030 . 1 . . . . 68 LYS HA . 10038 1 759 . 1 1 68 68 LYS HB2 H 1 1.629 0.030 . 2 . . . . 68 LYS HB2 . 10038 1 760 . 1 1 68 68 LYS HB3 H 1 1.209 0.030 . 2 . . . . 68 LYS HB3 . 10038 1 761 . 1 1 68 68 LYS HG2 H 1 0.441 0.030 . 2 . . . . 68 LYS HG2 . 10038 1 762 . 1 1 68 68 LYS HG3 H 1 0.885 0.030 . 2 . . . . 68 LYS HG3 . 10038 1 763 . 1 1 68 68 LYS HD2 H 1 1.529 0.030 . 1 . . . . 68 LYS HD2 . 10038 1 764 . 1 1 68 68 LYS HD3 H 1 1.529 0.030 . 1 . . . . 68 LYS HD3 . 10038 1 765 . 1 1 68 68 LYS HE2 H 1 2.868 0.030 . 1 . . . . 68 LYS HE2 . 10038 1 766 . 1 1 68 68 LYS HE3 H 1 2.868 0.030 . 1 . . . . 68 LYS HE3 . 10038 1 767 . 1 1 68 68 LYS C C 13 177.950 0.300 . 1 . . . . 68 LYS C . 10038 1 768 . 1 1 68 68 LYS CA C 13 59.938 0.300 . 1 . . . . 68 LYS CA . 10038 1 769 . 1 1 68 68 LYS CB C 13 32.375 0.300 . 1 . . . . 68 LYS CB . 10038 1 770 . 1 1 68 68 LYS CG C 13 24.854 0.300 . 1 . . . . 68 LYS CG . 10038 1 771 . 1 1 68 68 LYS CD C 13 29.723 0.300 . 1 . . . . 68 LYS CD . 10038 1 772 . 1 1 68 68 LYS CE C 13 42.323 0.300 . 1 . . . . 68 LYS CE . 10038 1 773 . 1 1 68 68 LYS N N 15 125.469 0.300 . 1 . . . . 68 LYS N . 10038 1 774 . 1 1 69 69 LYS H H 1 7.431 0.030 . 1 . . . . 69 LYS H . 10038 1 775 . 1 1 69 69 LYS HA H 1 4.195 0.030 . 1 . . . . 69 LYS HA . 10038 1 776 . 1 1 69 69 LYS HB2 H 1 1.822 0.030 . 2 . . . . 69 LYS HB2 . 10038 1 777 . 1 1 69 69 LYS HB3 H 1 1.859 0.030 . 2 . . . . 69 LYS HB3 . 10038 1 778 . 1 1 69 69 LYS HG2 H 1 1.411 0.030 . 1 . . . . 69 LYS HG2 . 10038 1 779 . 1 1 69 69 LYS HG3 H 1 1.411 0.030 . 1 . . . . 69 LYS HG3 . 10038 1 780 . 1 1 69 69 LYS HD2 H 1 1.670 0.030 . 1 . . . . 69 LYS HD2 . 10038 1 781 . 1 1 69 69 LYS HD3 H 1 1.670 0.030 . 1 . . . . 69 LYS HD3 . 10038 1 782 . 1 1 69 69 LYS HE2 H 1 2.956 0.030 . 1 . . . . 69 LYS HE2 . 10038 1 783 . 1 1 69 69 LYS HE3 H 1 2.956 0.030 . 1 . . . . 69 LYS HE3 . 10038 1 784 . 1 1 69 69 LYS C C 13 176.448 0.300 . 1 . . . . 69 LYS C . 10038 1 785 . 1 1 69 69 LYS CA C 13 57.679 0.300 . 1 . . . . 69 LYS CA . 10038 1 786 . 1 1 69 69 LYS CB C 13 32.172 0.300 . 1 . . . . 69 LYS CB . 10038 1 787 . 1 1 69 69 LYS CG C 13 24.886 0.300 . 1 . . . . 69 LYS CG . 10038 1 788 . 1 1 69 69 LYS CD C 13 29.236 0.300 . 1 . . . . 69 LYS CD . 10038 1 789 . 1 1 69 69 LYS CE C 13 42.162 0.300 . 1 . . . . 69 LYS CE . 10038 1 790 . 1 1 69 69 LYS N N 15 115.607 0.300 . 1 . . . . 69 LYS N . 10038 1 791 . 1 1 70 70 LEU H H 1 7.178 0.030 . 1 . . . . 70 LEU H . 10038 1 792 . 1 1 70 70 LEU HA H 1 4.481 0.030 . 1 . . . . 70 LEU HA . 10038 1 793 . 1 1 70 70 LEU HB2 H 1 2.213 0.030 . 2 . . . . 70 LEU HB2 . 10038 1 794 . 1 1 70 70 LEU HB3 H 1 1.685 0.030 . 2 . . . . 70 LEU HB3 . 10038 1 795 . 1 1 70 70 LEU HG H 1 1.495 0.030 . 1 . . . . 70 LEU HG . 10038 1 796 . 1 1 70 70 LEU HD11 H 1 0.765 0.030 . 1 . . . . 70 LEU HD1 . 10038 1 797 . 1 1 70 70 LEU HD12 H 1 0.765 0.030 . 1 . . . . 70 LEU HD1 . 10038 1 798 . 1 1 70 70 LEU HD13 H 1 0.765 0.030 . 1 . . . . 70 LEU HD1 . 10038 1 799 . 1 1 70 70 LEU HD21 H 1 0.660 0.030 . 1 . . . . 70 LEU HD2 . 10038 1 800 . 1 1 70 70 LEU HD22 H 1 0.660 0.030 . 1 . . . . 70 LEU HD2 . 10038 1 801 . 1 1 70 70 LEU HD23 H 1 0.660 0.030 . 1 . . . . 70 LEU HD2 . 10038 1 802 . 1 1 70 70 LEU C C 13 175.351 0.300 . 1 . . . . 70 LEU C . 10038 1 803 . 1 1 70 70 LEU CA C 13 54.308 0.300 . 1 . . . . 70 LEU CA . 10038 1 804 . 1 1 70 70 LEU CB C 13 41.886 0.300 . 1 . . . . 70 LEU CB . 10038 1 805 . 1 1 70 70 LEU CG C 13 26.746 0.300 . 1 . . . . 70 LEU CG . 10038 1 806 . 1 1 70 70 LEU CD1 C 13 25.350 0.300 . 2 . . . . 70 LEU CD1 . 10038 1 807 . 1 1 70 70 LEU CD2 C 13 22.328 0.300 . 2 . . . . 70 LEU CD2 . 10038 1 808 . 1 1 70 70 LEU N N 15 118.332 0.300 . 1 . . . . 70 LEU N . 10038 1 809 . 1 1 71 71 THR H H 1 7.586 0.030 . 1 . . . . 71 THR H . 10038 1 810 . 1 1 71 71 THR HA H 1 5.059 0.030 . 1 . . . . 71 THR HA . 10038 1 811 . 1 1 71 71 THR HB H 1 4.066 0.030 . 1 . . . . 71 THR HB . 10038 1 812 . 1 1 71 71 THR HG21 H 1 1.083 0.030 . 1 . . . . 71 THR HG2 . 10038 1 813 . 1 1 71 71 THR HG22 H 1 1.083 0.030 . 1 . . . . 71 THR HG2 . 10038 1 814 . 1 1 71 71 THR HG23 H 1 1.083 0.030 . 1 . . . . 71 THR HG2 . 10038 1 815 . 1 1 71 71 THR C C 13 173.142 0.300 . 1 . . . . 71 THR C . 10038 1 816 . 1 1 71 71 THR CA C 13 62.118 0.300 . 1 . . . . 71 THR CA . 10038 1 817 . 1 1 71 71 THR CB C 13 71.021 0.300 . 1 . . . . 71 THR CB . 10038 1 818 . 1 1 71 71 THR CG2 C 13 20.427 0.300 . 1 . . . . 71 THR CG2 . 10038 1 819 . 1 1 71 71 THR N N 15 116.887 0.300 . 1 . . . . 71 THR N . 10038 1 820 . 1 1 72 72 CYS H H 1 9.213 0.030 . 1 . . . . 72 CYS H . 10038 1 821 . 1 1 72 72 CYS HA H 1 4.648 0.030 . 1 . . . . 72 CYS HA . 10038 1 822 . 1 1 72 72 CYS HB2 H 1 2.958 0.030 . 2 . . . . 72 CYS HB2 . 10038 1 823 . 1 1 72 72 CYS HB3 H 1 3.256 0.030 . 2 . . . . 72 CYS HB3 . 10038 1 824 . 1 1 72 72 CYS C C 13 176.488 0.300 . 1 . . . . 72 CYS C . 10038 1 825 . 1 1 72 72 CYS CA C 13 58.748 0.300 . 1 . . . . 72 CYS CA . 10038 1 826 . 1 1 72 72 CYS CB C 13 29.915 0.300 . 1 . . . . 72 CYS CB . 10038 1 827 . 1 1 72 72 CYS N N 15 127.580 0.300 . 1 . . . . 72 CYS N . 10038 1 828 . 1 1 73 73 LEU H H 1 9.251 0.030 . 1 . . . . 73 LEU H . 10038 1 829 . 1 1 73 73 LEU HA H 1 4.372 0.030 . 1 . . . . 73 LEU HA . 10038 1 830 . 1 1 73 73 LEU HB2 H 1 1.817 0.030 . 2 . . . . 73 LEU HB2 . 10038 1 831 . 1 1 73 73 LEU HB3 H 1 1.649 0.030 . 2 . . . . 73 LEU HB3 . 10038 1 832 . 1 1 73 73 LEU HG H 1 1.822 0.030 . 1 . . . . 73 LEU HG . 10038 1 833 . 1 1 73 73 LEU HD11 H 1 0.972 0.030 . 1 . . . . 73 LEU HD1 . 10038 1 834 . 1 1 73 73 LEU HD12 H 1 0.972 0.030 . 1 . . . . 73 LEU HD1 . 10038 1 835 . 1 1 73 73 LEU HD13 H 1 0.972 0.030 . 1 . . . . 73 LEU HD1 . 10038 1 836 . 1 1 73 73 LEU HD21 H 1 0.899 0.030 . 1 . . . . 73 LEU HD2 . 10038 1 837 . 1 1 73 73 LEU HD22 H 1 0.899 0.030 . 1 . . . . 73 LEU HD2 . 10038 1 838 . 1 1 73 73 LEU HD23 H 1 0.899 0.030 . 1 . . . . 73 LEU HD2 . 10038 1 839 . 1 1 73 73 LEU C C 13 177.939 0.300 . 1 . . . . 73 LEU C . 10038 1 840 . 1 1 73 73 LEU CA C 13 57.110 0.300 . 1 . . . . 73 LEU CA . 10038 1 841 . 1 1 73 73 LEU CB C 13 40.953 0.300 . 1 . . . . 73 LEU CB . 10038 1 842 . 1 1 73 73 LEU CG C 13 27.348 0.300 . 1 . . . . 73 LEU CG . 10038 1 843 . 1 1 73 73 LEU CD1 C 13 25.350 0.300 . 2 . . . . 73 LEU CD1 . 10038 1 844 . 1 1 73 73 LEU CD2 C 13 22.906 0.300 . 2 . . . . 73 LEU CD2 . 10038 1 845 . 1 1 73 73 LEU N N 15 131.652 0.300 . 1 . . . . 73 LEU N . 10038 1 846 . 1 1 74 74 GLU H H 1 8.281 0.030 . 1 . . . . 74 GLU H . 10038 1 847 . 1 1 74 74 GLU HA H 1 4.205 0.030 . 1 . . . . 74 GLU HA . 10038 1 848 . 1 1 74 74 GLU HB2 H 1 1.733 0.030 . 2 . . . . 74 GLU HB2 . 10038 1 849 . 1 1 74 74 GLU HB3 H 1 1.822 0.030 . 2 . . . . 74 GLU HB3 . 10038 1 850 . 1 1 74 74 GLU HG2 H 1 2.118 0.030 . 1 . . . . 74 GLU HG2 . 10038 1 851 . 1 1 74 74 GLU HG3 H 1 2.118 0.030 . 1 . . . . 74 GLU HG3 . 10038 1 852 . 1 1 74 74 GLU C C 13 177.939 0.300 . 1 . . . . 74 GLU C . 10038 1 853 . 1 1 74 74 GLU CA C 13 59.218 0.300 . 1 . . . . 74 GLU CA . 10038 1 854 . 1 1 74 74 GLU CG C 13 36.408 0.300 . 1 . . . . 74 GLU CG . 10038 1 855 . 1 1 74 74 GLU N N 15 119.636 0.300 . 1 . . . . 74 GLU N . 10038 1 856 . 1 1 75 75 CYS H H 1 8.183 0.030 . 1 . . . . 75 CYS H . 10038 1 857 . 1 1 75 75 CYS HA H 1 4.571 0.030 . 1 . . . . 75 CYS HA . 10038 1 858 . 1 1 75 75 CYS HB2 H 1 3.171 0.030 . 2 . . . . 75 CYS HB2 . 10038 1 859 . 1 1 75 75 CYS HB3 H 1 2.951 0.030 . 2 . . . . 75 CYS HB3 . 10038 1 860 . 1 1 75 75 CYS CA C 13 60.274 0.300 . 1 . . . . 75 CYS CA . 10038 1 861 . 1 1 75 75 CYS CB C 13 30.893 0.300 . 1 . . . . 75 CYS CB . 10038 1 862 . 1 1 75 75 CYS N N 15 116.768 0.300 . 1 . . . . 75 CYS N . 10038 1 863 . 1 1 76 76 MET H H 1 8.394 0.030 . 1 . . . . 76 MET H . 10038 1 864 . 1 1 76 76 MET HA H 1 4.272 0.030 . 1 . . . . 76 MET HA . 10038 1 865 . 1 1 76 76 MET HB2 H 1 2.268 0.030 . 2 . . . . 76 MET HB2 . 10038 1 866 . 1 1 76 76 MET HB3 H 1 2.205 0.030 . 2 . . . . 76 MET HB3 . 10038 1 867 . 1 1 76 76 MET HG2 H 1 2.649 0.030 . 2 . . . . 76 MET HG2 . 10038 1 868 . 1 1 76 76 MET HG3 H 1 2.485 0.030 . 2 . . . . 76 MET HG3 . 10038 1 869 . 1 1 76 76 MET HE1 H 1 2.034 0.030 . 1 . . . . 76 MET HE . 10038 1 870 . 1 1 76 76 MET HE2 H 1 2.034 0.030 . 1 . . . . 76 MET HE . 10038 1 871 . 1 1 76 76 MET HE3 H 1 2.034 0.030 . 1 . . . . 76 MET HE . 10038 1 872 . 1 1 76 76 MET CA C 13 55.377 0.300 . 1 . . . . 76 MET CA . 10038 1 873 . 1 1 76 76 MET CB C 13 27.888 0.300 . 1 . . . . 76 MET CB . 10038 1 874 . 1 1 76 76 MET CG C 13 32.538 0.300 . 1 . . . . 76 MET CG . 10038 1 875 . 1 1 76 76 MET CE C 13 16.229 0.300 . 1 . . . . 76 MET CE . 10038 1 876 . 1 1 76 76 MET N N 15 118.053 0.300 . 1 . . . . 76 MET N . 10038 1 877 . 1 1 77 77 ARG H H 1 7.436 0.030 . 1 . . . . 77 ARG H . 10038 1 878 . 1 1 77 77 ARG HA H 1 4.535 0.030 . 1 . . . . 77 ARG HA . 10038 1 879 . 1 1 77 77 ARG HB2 H 1 1.367 0.030 . 1 . . . . 77 ARG HB2 . 10038 1 880 . 1 1 77 77 ARG HB3 H 1 1.367 0.030 . 1 . . . . 77 ARG HB3 . 10038 1 881 . 1 1 77 77 ARG HG2 H 1 1.263 0.030 . 2 . . . . 77 ARG HG2 . 10038 1 882 . 1 1 77 77 ARG HG3 H 1 1.591 0.030 . 2 . . . . 77 ARG HG3 . 10038 1 883 . 1 1 77 77 ARG HD2 H 1 2.970 0.030 . 2 . . . . 77 ARG HD2 . 10038 1 884 . 1 1 77 77 ARG HD3 H 1 3.155 0.030 . 2 . . . . 77 ARG HD3 . 10038 1 885 . 1 1 77 77 ARG CA C 13 58.294 0.300 . 1 . . . . 77 ARG CA . 10038 1 886 . 1 1 77 77 ARG CB C 13 34.214 0.300 . 1 . . . . 77 ARG CB . 10038 1 887 . 1 1 77 77 ARG CG C 13 27.086 0.300 . 1 . . . . 77 ARG CG . 10038 1 888 . 1 1 77 77 ARG CD C 13 43.785 0.300 . 1 . . . . 77 ARG CD . 10038 1 889 . 1 1 77 77 ARG N N 15 118.045 0.300 . 1 . . . . 77 ARG N . 10038 1 890 . 1 1 78 78 THR H H 1 8.408 0.030 . 1 . . . . 78 THR H . 10038 1 891 . 1 1 78 78 THR HA H 1 4.924 0.030 . 1 . . . . 78 THR HA . 10038 1 892 . 1 1 78 78 THR HB H 1 3.858 0.030 . 1 . . . . 78 THR HB . 10038 1 893 . 1 1 78 78 THR HG21 H 1 1.333 0.030 . 1 . . . . 78 THR HG2 . 10038 1 894 . 1 1 78 78 THR HG22 H 1 1.333 0.030 . 1 . . . . 78 THR HG2 . 10038 1 895 . 1 1 78 78 THR HG23 H 1 1.333 0.030 . 1 . . . . 78 THR HG2 . 10038 1 896 . 1 1 78 78 THR C C 13 173.756 0.300 . 1 . . . . 78 THR C . 10038 1 897 . 1 1 78 78 THR CA C 13 62.192 0.300 . 1 . . . . 78 THR CA . 10038 1 898 . 1 1 78 78 THR CB C 13 70.666 0.300 . 1 . . . . 78 THR CB . 10038 1 899 . 1 1 78 78 THR CG2 C 13 22.419 0.300 . 1 . . . . 78 THR CG2 . 10038 1 900 . 1 1 79 79 PHE H H 1 8.883 0.030 . 1 . . . . 79 PHE H . 10038 1 901 . 1 1 79 79 PHE HA H 1 4.634 0.030 . 1 . . . . 79 PHE HA . 10038 1 902 . 1 1 79 79 PHE HB2 H 1 2.817 0.030 . 2 . . . . 79 PHE HB2 . 10038 1 903 . 1 1 79 79 PHE HB3 H 1 3.404 0.030 . 2 . . . . 79 PHE HB3 . 10038 1 904 . 1 1 79 79 PHE HD1 H 1 7.322 0.030 . 1 . . . . 79 PHE HD1 . 10038 1 905 . 1 1 79 79 PHE HD2 H 1 7.322 0.030 . 1 . . . . 79 PHE HD2 . 10038 1 906 . 1 1 79 79 PHE HE1 H 1 6.860 0.030 . 1 . . . . 79 PHE HE1 . 10038 1 907 . 1 1 79 79 PHE HE2 H 1 6.860 0.030 . 1 . . . . 79 PHE HE2 . 10038 1 908 . 1 1 79 79 PHE HZ H 1 5.876 0.030 . 1 . . . . 79 PHE HZ . 10038 1 909 . 1 1 79 79 PHE C C 13 175.264 0.300 . 1 . . . . 79 PHE C . 10038 1 910 . 1 1 79 79 PHE CA C 13 57.793 0.300 . 1 . . . . 79 PHE CA . 10038 1 911 . 1 1 79 79 PHE CB C 13 42.355 0.300 . 1 . . . . 79 PHE CB . 10038 1 912 . 1 1 79 79 PHE CD1 C 13 132.190 0.300 . 1 . . . . 79 PHE CD1 . 10038 1 913 . 1 1 79 79 PHE CD2 C 13 132.190 0.300 . 1 . . . . 79 PHE CD2 . 10038 1 914 . 1 1 79 79 PHE CE1 C 13 130.538 0.300 . 1 . . . . 79 PHE CE1 . 10038 1 915 . 1 1 79 79 PHE CE2 C 13 130.538 0.300 . 1 . . . . 79 PHE CE2 . 10038 1 916 . 1 1 79 79 PHE CZ C 13 127.764 0.300 . 1 . . . . 79 PHE CZ . 10038 1 917 . 1 1 79 79 PHE N N 15 124.290 0.300 . 1 . . . . 79 PHE N . 10038 1 918 . 1 1 80 80 LYS H H 1 8.923 0.030 . 1 . . . . 80 LYS H . 10038 1 919 . 1 1 80 80 LYS HA H 1 4.469 0.030 . 1 . . . . 80 LYS HA . 10038 1 920 . 1 1 80 80 LYS HB2 H 1 2.088 0.030 . 2 . . . . 80 LYS HB2 . 10038 1 921 . 1 1 80 80 LYS HB3 H 1 1.955 0.030 . 2 . . . . 80 LYS HB3 . 10038 1 922 . 1 1 80 80 LYS HG2 H 1 1.599 0.030 . 2 . . . . 80 LYS HG2 . 10038 1 923 . 1 1 80 80 LYS HG3 H 1 1.542 0.030 . 2 . . . . 80 LYS HG3 . 10038 1 924 . 1 1 80 80 LYS HD2 H 1 1.754 0.030 . 1 . . . . 80 LYS HD2 . 10038 1 925 . 1 1 80 80 LYS HD3 H 1 1.754 0.030 . 1 . . . . 80 LYS HD3 . 10038 1 926 . 1 1 80 80 LYS HE2 H 1 3.047 0.030 . 2 . . . . 80 LYS HE2 . 10038 1 927 . 1 1 80 80 LYS C C 13 176.627 0.300 . 1 . . . . 80 LYS C . 10038 1 928 . 1 1 80 80 LYS CA C 13 56.827 0.300 . 1 . . . . 80 LYS CA . 10038 1 929 . 1 1 80 80 LYS CB C 13 33.492 0.300 . 1 . . . . 80 LYS CB . 10038 1 930 . 1 1 80 80 LYS CG C 13 25.168 0.300 . 1 . . . . 80 LYS CG . 10038 1 931 . 1 1 80 80 LYS CD C 13 28.970 0.300 . 1 . . . . 80 LYS CD . 10038 1 932 . 1 1 80 80 LYS CE C 13 42.180 0.300 . 1 . . . . 80 LYS CE . 10038 1 933 . 1 1 80 80 LYS N N 15 115.497 0.300 . 1 . . . . 80 LYS N . 10038 1 934 . 1 1 81 81 SER H H 1 7.601 0.030 . 1 . . . . 81 SER H . 10038 1 935 . 1 1 81 81 SER HA H 1 4.912 0.030 . 1 . . . . 81 SER HA . 10038 1 936 . 1 1 81 81 SER HB2 H 1 4.402 0.030 . 2 . . . . 81 SER HB2 . 10038 1 937 . 1 1 81 81 SER HB3 H 1 4.075 0.030 . 2 . . . . 81 SER HB3 . 10038 1 938 . 1 1 81 81 SER C C 13 176.627 0.300 . 1 . . . . 81 SER C . 10038 1 939 . 1 1 81 81 SER CA C 13 56.531 0.300 . 1 . . . . 81 SER CA . 10038 1 940 . 1 1 81 81 SER CB C 13 67.128 0.300 . 1 . . . . 81 SER CB . 10038 1 941 . 1 1 81 81 SER N N 15 109.790 0.300 . 1 . . . . 81 SER N . 10038 1 942 . 1 1 82 82 SER HA H 1 4.182 0.030 . 1 . . . . 82 SER HA . 10038 1 943 . 1 1 82 82 SER HB2 H 1 3.864 0.030 . 2 . . . . 82 SER HB2 . 10038 1 944 . 1 1 82 82 SER C C 13 176.627 0.300 . 1 . . . . 82 SER C . 10038 1 945 . 1 1 82 82 SER CA C 13 61.145 0.300 . 1 . . . . 82 SER CA . 10038 1 946 . 1 1 82 82 SER CB C 13 62.292 0.300 . 1 . . . . 82 SER CB . 10038 1 947 . 1 1 83 83 PHE H H 1 8.466 0.030 . 1 . . . . 83 PHE H . 10038 1 948 . 1 1 83 83 PHE HA H 1 4.440 0.030 . 1 . . . . 83 PHE HA . 10038 1 949 . 1 1 83 83 PHE HB2 H 1 3.037 0.030 . 2 . . . . 83 PHE HB2 . 10038 1 950 . 1 1 83 83 PHE HB3 H 1 3.338 0.030 . 2 . . . . 83 PHE HB3 . 10038 1 951 . 1 1 83 83 PHE HD1 H 1 7.297 0.030 . 1 . . . . 83 PHE HD1 . 10038 1 952 . 1 1 83 83 PHE HD2 H 1 7.297 0.030 . 1 . . . . 83 PHE HD2 . 10038 1 953 . 1 1 83 83 PHE HE1 H 1 7.461 0.030 . 1 . . . . 83 PHE HE1 . 10038 1 954 . 1 1 83 83 PHE HE2 H 1 7.461 0.030 . 1 . . . . 83 PHE HE2 . 10038 1 955 . 1 1 83 83 PHE HZ H 1 7.415 0.030 . 1 . . . . 83 PHE HZ . 10038 1 956 . 1 1 83 83 PHE C C 13 176.884 0.300 . 1 . . . . 83 PHE C . 10038 1 957 . 1 1 83 83 PHE CA C 13 61.690 0.300 . 1 . . . . 83 PHE CA . 10038 1 958 . 1 1 83 83 PHE CB C 13 39.467 0.300 . 1 . . . . 83 PHE CB . 10038 1 959 . 1 1 83 83 PHE CD1 C 13 131.901 0.300 . 1 . . . . 83 PHE CD1 . 10038 1 960 . 1 1 83 83 PHE CD2 C 13 131.901 0.300 . 1 . . . . 83 PHE CD2 . 10038 1 961 . 1 1 83 83 PHE CE1 C 13 131.756 0.300 . 1 . . . . 83 PHE CE1 . 10038 1 962 . 1 1 83 83 PHE CE2 C 13 131.756 0.300 . 1 . . . . 83 PHE CE2 . 10038 1 963 . 1 1 83 83 PHE CZ C 13 130.044 0.300 . 1 . . . . 83 PHE CZ . 10038 1 964 . 1 1 83 83 PHE N N 15 123.258 0.300 . 1 . . . . 83 PHE N . 10038 1 965 . 1 1 84 84 SER H H 1 8.111 0.030 . 1 . . . . 84 SER H . 10038 1 966 . 1 1 84 84 SER HA H 1 4.202 0.030 . 1 . . . . 84 SER HA . 10038 1 967 . 1 1 84 84 SER HB2 H 1 4.223 0.030 . 1 . . . . 84 SER HB2 . 10038 1 968 . 1 1 84 84 SER HB3 H 1 4.223 0.030 . 1 . . . . 84 SER HB3 . 10038 1 969 . 1 1 84 84 SER C C 13 177.852 0.300 . 1 . . . . 84 SER C . 10038 1 970 . 1 1 84 84 SER CA C 13 61.989 0.300 . 1 . . . . 84 SER CA . 10038 1 971 . 1 1 84 84 SER CB C 13 63.384 0.300 . 1 . . . . 84 SER CB . 10038 1 972 . 1 1 84 84 SER N N 15 114.006 0.300 . 1 . . . . 84 SER N . 10038 1 973 . 1 1 85 85 ILE H H 1 7.819 0.030 . 1 . . . . 85 ILE H . 10038 1 974 . 1 1 85 85 ILE HA H 1 3.320 0.030 . 1 . . . . 85 ILE HA . 10038 1 975 . 1 1 85 85 ILE HB H 1 1.565 0.030 . 1 . . . . 85 ILE HB . 10038 1 976 . 1 1 85 85 ILE HG12 H 1 1.215 0.030 . 2 . . . . 85 ILE HG12 . 10038 1 977 . 1 1 85 85 ILE HG13 H 1 1.114 0.030 . 2 . . . . 85 ILE HG13 . 10038 1 978 . 1 1 85 85 ILE HG21 H 1 1.261 0.030 . 1 . . . . 85 ILE HG2 . 10038 1 979 . 1 1 85 85 ILE HG22 H 1 1.261 0.030 . 1 . . . . 85 ILE HG2 . 10038 1 980 . 1 1 85 85 ILE HG23 H 1 1.261 0.030 . 1 . . . . 85 ILE HG2 . 10038 1 981 . 1 1 85 85 ILE HD11 H 1 0.797 0.030 . 1 . . . . 85 ILE HD1 . 10038 1 982 . 1 1 85 85 ILE HD12 H 1 0.797 0.030 . 1 . . . . 85 ILE HD1 . 10038 1 983 . 1 1 85 85 ILE HD13 H 1 0.797 0.030 . 1 . . . . 85 ILE HD1 . 10038 1 984 . 1 1 85 85 ILE C C 13 175.714 0.300 . 1 . . . . 85 ILE C . 10038 1 985 . 1 1 85 85 ILE CA C 13 63.662 0.300 . 1 . . . . 85 ILE CA . 10038 1 986 . 1 1 85 85 ILE CB C 13 37.089 0.300 . 1 . . . . 85 ILE CB . 10038 1 987 . 1 1 85 85 ILE CG1 C 13 30.353 0.300 . 1 . . . . 85 ILE CG1 . 10038 1 988 . 1 1 85 85 ILE CG2 C 13 16.913 0.300 . 1 . . . . 85 ILE CG2 . 10038 1 989 . 1 1 85 85 ILE CD1 C 13 13.998 0.300 . 1 . . . . 85 ILE CD1 . 10038 1 990 . 1 1 85 85 ILE N N 15 120.708 0.300 . 1 . . . . 85 ILE N . 10038 1 991 . 1 1 86 86 TRP H H 1 7.776 0.030 . 1 . . . . 86 TRP H . 10038 1 992 . 1 1 86 86 TRP HA H 1 4.468 0.030 . 1 . . . . 86 TRP HA . 10038 1 993 . 1 1 86 86 TRP HB2 H 1 3.295 0.030 . 2 . . . . 86 TRP HB2 . 10038 1 994 . 1 1 86 86 TRP HB3 H 1 3.446 0.030 . 2 . . . . 86 TRP HB3 . 10038 1 995 . 1 1 86 86 TRP HD1 H 1 7.233 0.030 . 1 . . . . 86 TRP HD1 . 10038 1 996 . 1 1 86 86 TRP HE1 H 1 9.985 0.030 . 1 . . . . 86 TRP HE1 . 10038 1 997 . 1 1 86 86 TRP HE3 H 1 7.288 0.030 . 1 . . . . 86 TRP HE3 . 10038 1 998 . 1 1 86 86 TRP HZ2 H 1 7.448 0.030 . 1 . . . . 86 TRP HZ2 . 10038 1 999 . 1 1 86 86 TRP HZ3 H 1 7.096 0.030 . 1 . . . . 86 TRP HZ3 . 10038 1 1000 . 1 1 86 86 TRP HH2 H 1 7.203 0.030 . 1 . . . . 86 TRP HH2 . 10038 1 1001 . 1 1 86 86 TRP C C 13 177.384 0.300 . 1 . . . . 86 TRP C . 10038 1 1002 . 1 1 86 86 TRP CA C 13 61.083 0.300 . 1 . . . . 86 TRP CA . 10038 1 1003 . 1 1 86 86 TRP CB C 13 27.514 0.300 . 1 . . . . 86 TRP CB . 10038 1 1004 . 1 1 86 86 TRP CD1 C 13 127.244 0.300 . 1 . . . . 86 TRP CD1 . 10038 1 1005 . 1 1 86 86 TRP CE3 C 13 120.703 0.300 . 1 . . . . 86 TRP CE3 . 10038 1 1006 . 1 1 86 86 TRP CZ2 C 13 114.657 0.300 . 1 . . . . 86 TRP CZ2 . 10038 1 1007 . 1 1 86 86 TRP CZ3 C 13 121.735 0.300 . 1 . . . . 86 TRP CZ3 . 10038 1 1008 . 1 1 86 86 TRP CH2 C 13 123.930 0.300 . 1 . . . . 86 TRP CH2 . 10038 1 1009 . 1 1 86 86 TRP N N 15 126.291 0.300 . 1 . . . . 86 TRP N . 10038 1 1010 . 1 1 86 86 TRP NE1 N 15 130.382 0.300 . 1 . . . . 86 TRP NE1 . 10038 1 1011 . 1 1 87 87 ARG H H 1 8.126 0.030 . 1 . . . . 87 ARG H . 10038 1 1012 . 1 1 87 87 ARG HA H 1 3.114 0.030 . 1 . . . . 87 ARG HA . 10038 1 1013 . 1 1 87 87 ARG HB2 H 1 1.623 0.030 . 1 . . . . 87 ARG HB2 . 10038 1 1014 . 1 1 87 87 ARG HB3 H 1 1.623 0.030 . 1 . . . . 87 ARG HB3 . 10038 1 1015 . 1 1 87 87 ARG HG2 H 1 1.448 0.030 . 2 . . . . 87 ARG HG2 . 10038 1 1016 . 1 1 87 87 ARG HG3 H 1 1.233 0.030 . 2 . . . . 87 ARG HG3 . 10038 1 1017 . 1 1 87 87 ARG HD2 H 1 2.480 0.030 . 2 . . . . 87 ARG HD2 . 10038 1 1018 . 1 1 87 87 ARG HD3 H 1 2.910 0.030 . 2 . . . . 87 ARG HD3 . 10038 1 1019 . 1 1 87 87 ARG C C 13 178.043 0.300 . 1 . . . . 87 ARG C . 10038 1 1020 . 1 1 87 87 ARG CA C 13 57.473 0.300 . 1 . . . . 87 ARG CA . 10038 1 1021 . 1 1 87 87 ARG CB C 13 28.010 0.300 . 1 . . . . 87 ARG CB . 10038 1 1022 . 1 1 87 87 ARG CG C 13 24.846 0.300 . 1 . . . . 87 ARG CG . 10038 1 1023 . 1 1 87 87 ARG CD C 13 41.903 0.300 . 1 . . . . 87 ARG CD . 10038 1 1024 . 1 1 87 87 ARG N N 15 115.737 0.300 . 1 . . . . 87 ARG N . 10038 1 1025 . 1 1 88 88 HIS H H 1 7.423 0.030 . 1 . . . . 88 HIS H . 10038 1 1026 . 1 1 88 88 HIS HA H 1 4.181 0.030 . 1 . . . . 88 HIS HA . 10038 1 1027 . 1 1 88 88 HIS HB2 H 1 2.692 0.030 . 2 . . . . 88 HIS HB2 . 10038 1 1028 . 1 1 88 88 HIS HB3 H 1 3.146 0.030 . 2 . . . . 88 HIS HB3 . 10038 1 1029 . 1 1 88 88 HIS HD2 H 1 6.857 0.030 . 1 . . . . 88 HIS HD2 . 10038 1 1030 . 1 1 88 88 HIS HE1 H 1 8.255 0.030 . 1 . . . . 88 HIS HE1 . 10038 1 1031 . 1 1 88 88 HIS C C 13 176.653 0.300 . 1 . . . . 88 HIS C . 10038 1 1032 . 1 1 88 88 HIS CA C 13 59.517 0.300 . 1 . . . . 88 HIS CA . 10038 1 1033 . 1 1 88 88 HIS CB C 13 28.197 0.300 . 1 . . . . 88 HIS CB . 10038 1 1034 . 1 1 88 88 HIS CD2 C 13 127.126 0.300 . 1 . . . . 88 HIS CD2 . 10038 1 1035 . 1 1 88 88 HIS CE1 C 13 139.648 0.300 . 1 . . . . 88 HIS CE1 . 10038 1 1036 . 1 1 88 88 HIS N N 15 117.192 0.300 . 1 . . . . 88 HIS N . 10038 1 1037 . 1 1 89 89 GLN H H 1 8.416 0.030 . 1 . . . . 89 GLN H . 10038 1 1038 . 1 1 89 89 GLN HA H 1 3.756 0.030 . 1 . . . . 89 GLN HA . 10038 1 1039 . 1 1 89 89 GLN HB2 H 1 2.446 0.030 . 2 . . . . 89 GLN HB2 . 10038 1 1040 . 1 1 89 89 GLN HB3 H 1 1.994 0.030 . 2 . . . . 89 GLN HB3 . 10038 1 1041 . 1 1 89 89 GLN HG2 H 1 2.589 0.030 . 2 . . . . 89 GLN HG2 . 10038 1 1042 . 1 1 89 89 GLN HG3 H 1 2.713 0.030 . 2 . . . . 89 GLN HG3 . 10038 1 1043 . 1 1 89 89 GLN HE21 H 1 7.329 0.030 . 2 . . . . 89 GLN HE21 . 10038 1 1044 . 1 1 89 89 GLN HE22 H 1 6.847 0.030 . 2 . . . . 89 GLN HE22 . 10038 1 1045 . 1 1 89 89 GLN C C 13 178.982 0.300 . 1 . . . . 89 GLN C . 10038 1 1046 . 1 1 89 89 GLN CA C 13 59.909 0.300 . 1 . . . . 89 GLN CA . 10038 1 1047 . 1 1 89 89 GLN CB C 13 27.297 0.300 . 1 . . . . 89 GLN CB . 10038 1 1048 . 1 1 89 89 GLN CG C 13 34.229 0.300 . 1 . . . . 89 GLN CG . 10038 1 1049 . 1 1 89 89 GLN N N 15 119.461 0.300 . 1 . . . . 89 GLN N . 10038 1 1050 . 1 1 89 89 GLN NE2 N 15 109.898 0.300 . 1 . . . . 89 GLN NE2 . 10038 1 1051 . 1 1 90 90 VAL H H 1 7.864 0.030 . 1 . . . . 90 VAL H . 10038 1 1052 . 1 1 90 90 VAL HA H 1 3.465 0.030 . 1 . . . . 90 VAL HA . 10038 1 1053 . 1 1 90 90 VAL HB H 1 1.578 0.030 . 1 . . . . 90 VAL HB . 10038 1 1054 . 1 1 90 90 VAL HG11 H 1 0.655 0.030 . 1 . . . . 90 VAL HG1 . 10038 1 1055 . 1 1 90 90 VAL HG12 H 1 0.655 0.030 . 1 . . . . 90 VAL HG1 . 10038 1 1056 . 1 1 90 90 VAL HG13 H 1 0.655 0.030 . 1 . . . . 90 VAL HG1 . 10038 1 1057 . 1 1 90 90 VAL HG21 H 1 0.337 0.030 . 1 . . . . 90 VAL HG2 . 10038 1 1058 . 1 1 90 90 VAL HG22 H 1 0.337 0.030 . 1 . . . . 90 VAL HG2 . 10038 1 1059 . 1 1 90 90 VAL HG23 H 1 0.337 0.030 . 1 . . . . 90 VAL HG2 . 10038 1 1060 . 1 1 90 90 VAL C C 13 178.201 0.300 . 1 . . . . 90 VAL C . 10038 1 1061 . 1 1 90 90 VAL CA C 13 66.054 0.300 . 1 . . . . 90 VAL CA . 10038 1 1062 . 1 1 90 90 VAL CB C 13 32.333 0.300 . 1 . . . . 90 VAL CB . 10038 1 1063 . 1 1 90 90 VAL CG1 C 13 20.845 0.300 . 2 . . . . 90 VAL CG1 . 10038 1 1064 . 1 1 90 90 VAL CG2 C 13 21.307 0.300 . 2 . . . . 90 VAL CG2 . 10038 1 1065 . 1 1 90 90 VAL N N 15 118.609 0.300 . 1 . . . . 90 VAL N . 10038 1 1066 . 1 1 91 91 GLU H H 1 8.278 0.030 . 1 . . . . 91 GLU H . 10038 1 1067 . 1 1 91 91 GLU HA H 1 3.908 0.030 . 1 . . . . 91 GLU HA . 10038 1 1068 . 1 1 91 91 GLU HB2 H 1 1.953 0.030 . 2 . . . . 91 GLU HB2 . 10038 1 1069 . 1 1 91 91 GLU HB3 H 1 1.880 0.030 . 2 . . . . 91 GLU HB3 . 10038 1 1070 . 1 1 91 91 GLU HG2 H 1 2.149 0.030 . 2 . . . . 91 GLU HG2 . 10038 1 1071 . 1 1 91 91 GLU HG3 H 1 2.348 0.030 . 2 . . . . 91 GLU HG3 . 10038 1 1072 . 1 1 91 91 GLU C C 13 178.325 0.300 . 1 . . . . 91 GLU C . 10038 1 1073 . 1 1 91 91 GLU CA C 13 58.950 0.300 . 1 . . . . 91 GLU CA . 10038 1 1074 . 1 1 91 91 GLU CB C 13 30.355 0.300 . 1 . . . . 91 GLU CB . 10038 1 1075 . 1 1 91 91 GLU CG C 13 36.834 0.300 . 1 . . . . 91 GLU CG . 10038 1 1076 . 1 1 91 91 GLU N N 15 117.094 0.300 . 1 . . . . 91 GLU N . 10038 1 1077 . 1 1 92 92 VAL H H 1 8.262 0.030 . 1 . . . . 92 VAL H . 10038 1 1078 . 1 1 92 92 VAL HA H 1 3.798 0.030 . 1 . . . . 92 VAL HA . 10038 1 1079 . 1 1 92 92 VAL HB H 1 0.898 0.030 . 1 . . . . 92 VAL HB . 10038 1 1080 . 1 1 92 92 VAL HG11 H 1 0.192 0.030 . 1 . . . . 92 VAL HG1 . 10038 1 1081 . 1 1 92 92 VAL HG12 H 1 0.192 0.030 . 1 . . . . 92 VAL HG1 . 10038 1 1082 . 1 1 92 92 VAL HG13 H 1 0.192 0.030 . 1 . . . . 92 VAL HG1 . 10038 1 1083 . 1 1 92 92 VAL HG21 H 1 0.749 0.030 . 1 . . . . 92 VAL HG2 . 10038 1 1084 . 1 1 92 92 VAL HG22 H 1 0.749 0.030 . 1 . . . . 92 VAL HG2 . 10038 1 1085 . 1 1 92 92 VAL HG23 H 1 0.749 0.030 . 1 . . . . 92 VAL HG2 . 10038 1 1086 . 1 1 92 92 VAL C C 13 176.420 0.300 . 1 . . . . 92 VAL C . 10038 1 1087 . 1 1 92 92 VAL CA C 13 63.928 0.300 . 1 . . . . 92 VAL CA . 10038 1 1088 . 1 1 92 92 VAL CB C 13 32.102 0.300 . 1 . . . . 92 VAL CB . 10038 1 1089 . 1 1 92 92 VAL CG1 C 13 20.801 0.300 . 2 . . . . 92 VAL CG1 . 10038 1 1090 . 1 1 92 92 VAL CG2 C 13 22.798 0.300 . 2 . . . . 92 VAL CG2 . 10038 1 1091 . 1 1 92 92 VAL N N 15 116.103 0.300 . 1 . . . . 92 VAL N . 10038 1 1092 . 1 1 93 93 HIS H H 1 6.572 0.030 . 1 . . . . 93 HIS H . 10038 1 1093 . 1 1 93 93 HIS HA H 1 4.910 0.030 . 1 . . . . 93 HIS HA . 10038 1 1094 . 1 1 93 93 HIS HB2 H 1 3.201 0.030 . 2 . . . . 93 HIS HB2 . 10038 1 1095 . 1 1 93 93 HIS HB3 H 1 3.455 0.030 . 2 . . . . 93 HIS HB3 . 10038 1 1096 . 1 1 93 93 HIS HD2 H 1 6.444 0.030 . 1 . . . . 93 HIS HD2 . 10038 1 1097 . 1 1 93 93 HIS HE1 H 1 7.794 0.030 . 1 . . . . 93 HIS HE1 . 10038 1 1098 . 1 1 93 93 HIS C C 13 174.555 0.300 . 1 . . . . 93 HIS C . 10038 1 1099 . 1 1 93 93 HIS CA C 13 54.493 0.300 . 1 . . . . 93 HIS CA . 10038 1 1100 . 1 1 93 93 HIS CB C 13 28.998 0.300 . 1 . . . . 93 HIS CB . 10038 1 1101 . 1 1 93 93 HIS CD2 C 13 127.296 0.300 . 1 . . . . 93 HIS CD2 . 10038 1 1102 . 1 1 93 93 HIS CE1 C 13 139.543 0.300 . 1 . . . . 93 HIS CE1 . 10038 1 1103 . 1 1 93 93 HIS N N 15 114.183 0.300 . 1 . . . . 93 HIS N . 10038 1 1104 . 1 1 94 94 ASN H H 1 7.536 0.030 . 1 . . . . 94 ASN H . 10038 1 1105 . 1 1 94 94 ASN HA H 1 4.618 0.030 . 1 . . . . 94 ASN HA . 10038 1 1106 . 1 1 94 94 ASN HB2 H 1 3.022 0.030 . 2 . . . . 94 ASN HB2 . 10038 1 1107 . 1 1 94 94 ASN HB3 H 1 2.720 0.030 . 2 . . . . 94 ASN HB3 . 10038 1 1108 . 1 1 94 94 ASN HD21 H 1 7.498 0.030 . 2 . . . . 94 ASN HD21 . 10038 1 1109 . 1 1 94 94 ASN HD22 H 1 6.800 0.030 . 2 . . . . 94 ASN HD22 . 10038 1 1110 . 1 1 94 94 ASN C C 13 174.948 0.300 . 1 . . . . 94 ASN C . 10038 1 1111 . 1 1 94 94 ASN CA C 13 54.113 0.300 . 1 . . . . 94 ASN CA . 10038 1 1112 . 1 1 94 94 ASN CB C 13 38.014 0.300 . 1 . . . . 94 ASN CB . 10038 1 1113 . 1 1 94 94 ASN N N 15 116.965 0.300 . 1 . . . . 94 ASN N . 10038 1 1114 . 1 1 94 94 ASN ND2 N 15 111.941 0.300 . 1 . . . . 94 ASN ND2 . 10038 1 1115 . 1 1 95 95 GLN H H 1 8.056 0.030 . 1 . . . . 95 GLN H . 10038 1 1116 . 1 1 95 95 GLN HA H 1 4.300 0.030 . 1 . . . . 95 GLN HA . 10038 1 1117 . 1 1 95 95 GLN HB2 H 1 1.971 0.030 . 2 . . . . 95 GLN HB2 . 10038 1 1118 . 1 1 95 95 GLN HB3 H 1 1.740 0.030 . 2 . . . . 95 GLN HB3 . 10038 1 1119 . 1 1 95 95 GLN HG2 H 1 2.299 0.030 . 1 . . . . 95 GLN HG2 . 10038 1 1120 . 1 1 95 95 GLN HG3 H 1 2.299 0.030 . 1 . . . . 95 GLN HG3 . 10038 1 1121 . 1 1 95 95 GLN HE21 H 1 7.413 0.030 . 2 . . . . 95 GLN HE21 . 10038 1 1122 . 1 1 95 95 GLN HE22 H 1 6.774 0.030 . 2 . . . . 95 GLN HE22 . 10038 1 1123 . 1 1 95 95 GLN C C 13 175.457 0.300 . 1 . . . . 95 GLN C . 10038 1 1124 . 1 1 95 95 GLN CA C 13 55.850 0.300 . 1 . . . . 95 GLN CA . 10038 1 1125 . 1 1 95 95 GLN CB C 13 29.428 0.300 . 1 . . . . 95 GLN CB . 10038 1 1126 . 1 1 95 95 GLN CG C 13 33.820 0.300 . 1 . . . . 95 GLN CG . 10038 1 1127 . 1 1 95 95 GLN N N 15 118.550 0.300 . 1 . . . . 95 GLN N . 10038 1 1128 . 1 1 95 95 GLN NE2 N 15 111.855 0.300 . 1 . . . . 95 GLN NE2 . 10038 1 1129 . 1 1 96 96 ASN H H 1 8.490 0.030 . 1 . . . . 96 ASN H . 10038 1 1130 . 1 1 96 96 ASN HA H 1 4.743 0.030 . 1 . . . . 96 ASN HA . 10038 1 1131 . 1 1 96 96 ASN HB2 H 1 2.888 0.030 . 2 . . . . 96 ASN HB2 . 10038 1 1132 . 1 1 96 96 ASN HB3 H 1 2.760 0.030 . 2 . . . . 96 ASN HB3 . 10038 1 1133 . 1 1 96 96 ASN HD21 H 1 7.550 0.030 . 2 . . . . 96 ASN HD21 . 10038 1 1134 . 1 1 96 96 ASN HD22 H 1 6.917 0.030 . 2 . . . . 96 ASN HD22 . 10038 1 1135 . 1 1 96 96 ASN C C 13 175.090 0.300 . 1 . . . . 96 ASN C . 10038 1 1136 . 1 1 96 96 ASN CA C 13 53.110 0.300 . 1 . . . . 96 ASN CA . 10038 1 1137 . 1 1 96 96 ASN CB C 13 38.820 0.300 . 1 . . . . 96 ASN CB . 10038 1 1138 . 1 1 96 96 ASN N N 15 119.593 0.300 . 1 . . . . 96 ASN N . 10038 1 1139 . 1 1 96 96 ASN ND2 N 15 112.068 0.300 . 1 . . . . 96 ASN ND2 . 10038 1 1140 . 1 1 97 97 ASN H H 1 8.370 0.030 . 1 . . . . 97 ASN H . 10038 1 1141 . 1 1 97 97 ASN HA H 1 4.725 0.030 . 1 . . . . 97 ASN HA . 10038 1 1142 . 1 1 97 97 ASN HB2 H 1 2.750 0.030 . 2 . . . . 97 ASN HB2 . 10038 1 1143 . 1 1 97 97 ASN HB3 H 1 2.884 0.030 . 2 . . . . 97 ASN HB3 . 10038 1 1144 . 1 1 97 97 ASN HD21 H 1 7.609 0.030 . 2 . . . . 97 ASN HD21 . 10038 1 1145 . 1 1 97 97 ASN HD22 H 1 6.924 0.030 . 2 . . . . 97 ASN HD22 . 10038 1 1146 . 1 1 97 97 ASN C C 13 175.306 0.300 . 1 . . . . 97 ASN C . 10038 1 1147 . 1 1 97 97 ASN CA C 13 53.447 0.300 . 1 . . . . 97 ASN CA . 10038 1 1148 . 1 1 97 97 ASN CB C 13 38.882 0.300 . 1 . . . . 97 ASN CB . 10038 1 1149 . 1 1 97 97 ASN N N 15 118.825 0.300 . 1 . . . . 97 ASN N . 10038 1 1150 . 1 1 97 97 ASN ND2 N 15 112.843 0.300 . 1 . . . . 97 ASN ND2 . 10038 1 1151 . 1 1 98 98 MET H H 1 8.310 0.030 . 1 . . . . 98 MET H . 10038 1 1152 . 1 1 98 98 MET HA H 1 4.459 0.030 . 1 . . . . 98 MET HA . 10038 1 1153 . 1 1 98 98 MET HB2 H 1 1.989 0.030 . 2 . . . . 98 MET HB2 . 10038 1 1154 . 1 1 98 98 MET HB3 H 1 2.086 0.030 . 2 . . . . 98 MET HB3 . 10038 1 1155 . 1 1 98 98 MET HG2 H 1 2.516 0.030 . 2 . . . . 98 MET HG2 . 10038 1 1156 . 1 1 98 98 MET HG3 H 1 2.582 0.030 . 2 . . . . 98 MET HG3 . 10038 1 1157 . 1 1 98 98 MET HE1 H 1 2.066 0.030 . 1 . . . . 98 MET HE . 10038 1 1158 . 1 1 98 98 MET HE2 H 1 2.066 0.030 . 1 . . . . 98 MET HE . 10038 1 1159 . 1 1 98 98 MET HE3 H 1 2.066 0.030 . 1 . . . . 98 MET HE . 10038 1 1160 . 1 1 98 98 MET C C 13 175.447 0.300 . 1 . . . . 98 MET C . 10038 1 1161 . 1 1 98 98 MET CA C 13 55.418 0.300 . 1 . . . . 98 MET CA . 10038 1 1162 . 1 1 98 98 MET CB C 13 32.936 0.300 . 1 . . . . 98 MET CB . 10038 1 1163 . 1 1 98 98 MET CG C 13 32.087 0.300 . 1 . . . . 98 MET CG . 10038 1 1164 . 1 1 98 98 MET CE C 13 16.978 0.300 . 1 . . . . 98 MET CE . 10038 1 1165 . 1 1 98 98 MET N N 15 120.172 0.300 . 1 . . . . 98 MET N . 10038 1 1166 . 1 1 99 99 ALA H H 1 8.160 0.030 . 1 . . . . 99 ALA H . 10038 1 1167 . 1 1 99 99 ALA HA H 1 4.129 0.030 . 1 . . . . 99 ALA HA . 10038 1 1168 . 1 1 99 99 ALA HB1 H 1 1.185 0.030 . 1 . . . . 99 ALA HB . 10038 1 1169 . 1 1 99 99 ALA HB2 H 1 1.185 0.030 . 1 . . . . 99 ALA HB . 10038 1 1170 . 1 1 99 99 ALA HB3 H 1 1.185 0.030 . 1 . . . . 99 ALA HB . 10038 1 1171 . 1 1 99 99 ALA C C 13 175.447 0.300 . 1 . . . . 99 ALA C . 10038 1 1172 . 1 1 99 99 ALA CA C 13 50.505 0.300 . 1 . . . . 99 ALA CA . 10038 1 1173 . 1 1 99 99 ALA CB C 13 17.895 0.300 . 1 . . . . 99 ALA CB . 10038 1 1174 . 1 1 99 99 ALA N N 15 125.990 0.300 . 1 . . . . 99 ALA N . 10038 1 1175 . 1 1 100 100 PRO HA H 1 4.406 0.030 . 1 . . . . 100 PRO HA . 10038 1 1176 . 1 1 100 100 PRO HB2 H 1 2.223 0.030 . 2 . . . . 100 PRO HB2 . 10038 1 1177 . 1 1 100 100 PRO HB3 H 1 1.910 0.030 . 2 . . . . 100 PRO HB3 . 10038 1 1178 . 1 1 100 100 PRO HG2 H 1 1.931 0.030 . 1 . . . . 100 PRO HG2 . 10038 1 1179 . 1 1 100 100 PRO HG3 H 1 1.931 0.030 . 1 . . . . 100 PRO HG3 . 10038 1 1180 . 1 1 100 100 PRO HD2 H 1 3.504 0.030 . 2 . . . . 100 PRO HD2 . 10038 1 1181 . 1 1 100 100 PRO HD3 H 1 3.418 0.030 . 2 . . . . 100 PRO HD3 . 10038 1 1182 . 1 1 100 100 PRO C C 13 177.218 0.300 . 1 . . . . 100 PRO C . 10038 1 1183 . 1 1 100 100 PRO CA C 13 63.029 0.300 . 1 . . . . 100 PRO CA . 10038 1 1184 . 1 1 100 100 PRO CB C 13 31.971 0.300 . 1 . . . . 100 PRO CB . 10038 1 1185 . 1 1 100 100 PRO CG C 13 27.314 0.300 . 1 . . . . 100 PRO CG . 10038 1 1186 . 1 1 100 100 PRO CD C 13 50.255 0.300 . 1 . . . . 100 PRO CD . 10038 1 1187 . 1 1 101 101 THR H H 1 8.157 0.030 . 1 . . . . 101 THR H . 10038 1 1188 . 1 1 101 101 THR HA H 1 4.358 0.030 . 1 . . . . 101 THR HA . 10038 1 1189 . 1 1 101 101 THR HB H 1 4.274 0.030 . 1 . . . . 101 THR HB . 10038 1 1190 . 1 1 101 101 THR HG21 H 1 1.215 0.030 . 1 . . . . 101 THR HG2 . 10038 1 1191 . 1 1 101 101 THR HG22 H 1 1.215 0.030 . 1 . . . . 101 THR HG2 . 10038 1 1192 . 1 1 101 101 THR HG23 H 1 1.215 0.030 . 1 . . . . 101 THR HG2 . 10038 1 1193 . 1 1 101 101 THR C C 13 174.614 0.300 . 1 . . . . 101 THR C . 10038 1 1194 . 1 1 101 101 THR CA C 13 61.709 0.300 . 1 . . . . 101 THR CA . 10038 1 1195 . 1 1 101 101 THR CB C 13 69.865 0.300 . 1 . . . . 101 THR CB . 10038 1 1196 . 1 1 101 101 THR CG2 C 13 21.611 0.300 . 1 . . . . 101 THR CG2 . 10038 1 1197 . 1 1 101 101 THR N N 15 113.583 0.300 . 1 . . . . 101 THR N . 10038 1 1198 . 1 1 102 102 SER H H 1 8.236 0.030 . 1 . . . . 102 SER H . 10038 1 1199 . 1 1 102 102 SER HA H 1 4.524 0.030 . 1 . . . . 102 SER HA . 10038 1 1200 . 1 1 102 102 SER HB2 H 1 3.883 0.030 . 1 . . . . 102 SER HB2 . 10038 1 1201 . 1 1 102 102 SER HB3 H 1 3.883 0.030 . 1 . . . . 102 SER HB3 . 10038 1 1202 . 1 1 102 102 SER C C 13 174.396 0.300 . 1 . . . . 102 SER C . 10038 1 1203 . 1 1 102 102 SER CA C 13 58.156 0.300 . 1 . . . . 102 SER CA . 10038 1 1204 . 1 1 102 102 SER CB C 13 64.072 0.300 . 1 . . . . 102 SER CB . 10038 1 1205 . 1 1 102 102 SER N N 15 117.465 0.300 . 1 . . . . 102 SER N . 10038 1 1206 . 1 1 103 103 GLY H H 1 8.228 0.030 . 1 . . . . 103 GLY H . 10038 1 1207 . 1 1 103 103 GLY HA2 H 1 4.047 0.030 . 2 . . . . 103 GLY HA2 . 10038 1 1208 . 1 1 103 103 GLY HA3 H 1 4.078 0.030 . 2 . . . . 103 GLY HA3 . 10038 1 1209 . 1 1 103 103 GLY C C 13 174.396 0.300 . 1 . . . . 103 GLY C . 10038 1 1210 . 1 1 103 103 GLY CA C 13 44.574 0.300 . 1 . . . . 103 GLY CA . 10038 1 1211 . 1 1 103 103 GLY N N 15 110.551 0.300 . 1 . . . . 103 GLY N . 10038 1 1212 . 1 1 104 104 PRO HA H 1 4.448 0.030 . 1 . . . . 104 PRO HA . 10038 1 1213 . 1 1 104 104 PRO HB2 H 1 2.277 0.030 . 2 . . . . 104 PRO HB2 . 10038 1 1214 . 1 1 104 104 PRO HB3 H 1 1.979 0.030 . 2 . . . . 104 PRO HB3 . 10038 1 1215 . 1 1 104 104 PRO HG2 H 1 1.997 0.030 . 2 . . . . 104 PRO HG2 . 10038 1 1216 . 1 1 104 104 PRO HD2 H 1 3.598 0.030 . 2 . . . . 104 PRO HD2 . 10038 1 1217 . 1 1 104 104 PRO HD3 H 1 3.540 0.030 . 2 . . . . 104 PRO HD3 . 10038 1 1218 . 1 1 104 104 PRO C C 13 177.362 0.300 . 1 . . . . 104 PRO C . 10038 1 1219 . 1 1 104 104 PRO CA C 13 63.270 0.300 . 1 . . . . 104 PRO CA . 10038 1 1220 . 1 1 104 104 PRO CB C 13 32.177 0.300 . 1 . . . . 104 PRO CB . 10038 1 1221 . 1 1 104 104 PRO CG C 13 27.133 0.300 . 1 . . . . 104 PRO CG . 10038 1 1222 . 1 1 104 104 PRO CD C 13 49.729 0.300 . 1 . . . . 104 PRO CD . 10038 1 1223 . 1 1 105 105 SER H H 1 8.511 0.030 . 1 . . . . 105 SER H . 10038 1 1224 . 1 1 105 105 SER HA H 1 4.503 0.030 . 1 . . . . 105 SER HA . 10038 1 1225 . 1 1 105 105 SER HB2 H 1 3.890 0.030 . 2 . . . . 105 SER HB2 . 10038 1 1226 . 1 1 105 105 SER HB3 H 1 3.930 0.030 . 2 . . . . 105 SER HB3 . 10038 1 1227 . 1 1 105 105 SER C C 13 174.654 0.300 . 1 . . . . 105 SER C . 10038 1 1228 . 1 1 105 105 SER CA C 13 58.398 0.300 . 1 . . . . 105 SER CA . 10038 1 1229 . 1 1 105 105 SER CB C 13 63.801 0.300 . 1 . . . . 105 SER CB . 10038 1 1230 . 1 1 105 105 SER N N 15 116.332 0.300 . 1 . . . . 105 SER N . 10038 1 1231 . 1 1 106 106 SER H H 1 8.315 0.030 . 1 . . . . 106 SER H . 10038 1 1232 . 1 1 106 106 SER HA H 1 4.493 0.030 . 1 . . . . 106 SER HA . 10038 1 1233 . 1 1 106 106 SER HB2 H 1 3.872 0.030 . 2 . . . . 106 SER HB2 . 10038 1 1234 . 1 1 106 106 SER HB3 H 1 3.912 0.030 . 2 . . . . 106 SER HB3 . 10038 1 1235 . 1 1 106 106 SER C C 13 173.935 0.300 . 1 . . . . 106 SER C . 10038 1 1236 . 1 1 106 106 SER CA C 13 58.418 0.300 . 1 . . . . 106 SER CA . 10038 1 1237 . 1 1 106 106 SER CB C 13 64.070 0.300 . 1 . . . . 106 SER CB . 10038 1 1238 . 1 1 106 106 SER N N 15 117.757 0.300 . 1 . . . . 106 SER N . 10038 1 1239 . 1 1 107 107 GLY H H 1 8.044 0.030 . 1 . . . . 107 GLY H . 10038 1 1240 . 1 1 107 107 GLY C C 13 173.935 0.300 . 1 . . . . 107 GLY C . 10038 1 1241 . 1 1 107 107 GLY CA C 13 46.243 0.300 . 1 . . . . 107 GLY CA . 10038 1 1242 . 1 1 107 107 GLY N N 15 116.843 0.300 . 1 . . . . 107 GLY N . 10038 1 stop_ save_