data_11237 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11237 _Entry.Title ; Solution structure of the first and second PHD domain from Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11237 2 F. Hayashi . . . 11237 3 S. Yokoyama . . . 11237 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 11237 '15N chemical shifts' 113 11237 '1H chemical shifts' 699 11237 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 . . 2011-08-03 2010-07-23 original author . 11237 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YSM 'BMRB Entry Tracking System' 11237 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11237 _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 the first and second PHD domain from Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog ; _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 X. Qin . . . 11237 1 2 F. Hayashi . . . 11237 1 3 S. Yokoyama . . . 11237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11237 _Assembly.ID 1 _Assembly.Name 'Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.1.1.43 _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 'PHD domain' 1 $entity_1 A . yes native no no . . . 11237 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11237 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11237 1 4 'ZINC ION no.3' 2 $ZN D . no native no no . . . 11237 1 5 'ZINC ION no.4' 2 $ZN E . no native no no . . . 11237 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 single . 1 'PHD domain' 1 CYS 10 10 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 10 CYS SG . . . . ZN 11237 1 2 coordination single . 1 'PHD domain' 1 CYS 13 13 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 13 CYS SG . . . . ZN 11237 1 3 coordination single . 1 'PHD domain' 1 CYS 25 25 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 25 CYS SG . . . . ZN 11237 1 4 coordination single . 1 'PHD domain' 1 CYS 28 28 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11237 1 5 coordination single . 1 'PHD domain' 1 HIS 33 33 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 HIS ND1 . . . . ZN 11237 1 6 coordination single . 1 'PHD domain' 1 CYS 36 36 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11237 1 7 coordination single . 1 'PHD domain' 1 CYS 51 51 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 51 CYS SG . . . . ZN 11237 1 8 coordination single . 1 'PHD domain' 1 CYS 54 54 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 54 CYS SG . . . . ZN 11237 1 9 coordination single . 1 'PHD domain' 1 CYS 57 57 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 57 CYS SG . . . . ZN 11237 1 10 coordination single . 1 'PHD domain' 1 CYS 60 60 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 60 CYS SG . . . . ZN 11237 1 11 coordination single . 1 'PHD domain' 1 CYS 72 72 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 72 CYS SG . . . . ZN 11237 1 12 coordination single . 1 'PHD domain' 1 CYS 75 75 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 75 CYS SG . . . . ZN 11237 1 13 coordination single . 1 'PHD domain' 1 HIS 80 80 ND1 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 80 HIS ND1 . . . . ZN 11237 1 14 coordination single . 1 'PHD domain' 1 CYS 83 83 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 83 CYS SG . . . . ZN 11237 1 15 coordination single . 1 'PHD domain' 1 CYS 98 98 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 98 CYS SG . . . . ZN 11237 1 16 coordination single . 1 'PHD domain' 1 CYS 101 101 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 101 CYS SG . . . . ZN 11237 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 98 98 HG . 98 CYS HG 11237 1 . . 1 1 CYS 101 101 HG . 101 CYS HG 11237 1 . . 1 1 HIS 80 80 HD1 . 80 HIS HD1 11237 1 . . 1 1 CYS 83 83 HG . 83 CYS HG 11237 1 . . 1 1 CYS 72 72 HG . 72 CYS HG 11237 1 . . 1 1 CYS 75 75 HG . 75 CYS HG 11237 1 . . 1 1 CYS 57 57 HG . 57 CYS HG 11237 1 . . 1 1 CYS 60 60 HG . 60 CYS HG 11237 1 . . 1 1 CYS 51 51 HG . 51 CYS HG 11237 1 . . 1 1 CYS 54 54 HG . 54 CYS HG 11237 1 . . 1 1 HIS 33 33 HD1 . 33 HIS HD1 11237 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11237 1 . . 1 1 CYS 25 25 HG . 25 CYS HG 11237 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11237 1 . . 1 1 CYS 10 10 HG . 10 CYS HG 11237 1 . . 1 1 CYS 13 13 HG . 13 CYS HG 11237 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 yes PDB 2ysm . . . . . . 11237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11237 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PHD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGANCAVCDSPGDLL DQFFCTTCGQHYHGMCLDIA VTPLKRAGWQCPECKVCQNC KQSGEDSKMLVCDTCDKGYH TFCLQPVMKSVPTNGWKCKN CRICISGPSSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 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 2YSM . "Solution Structure Of The First And Second Phd Domain From MyeloidLYMPHOID OR MIXED-Lineage Leukemia Protein 3 Homolog" . . . . . 100.00 111 100.00 100.00 4.81e-74 . . . . 11237 1 2 no DBJ BAC35712 . "unnamed protein product [Mus musculus]" . . . . . 89.19 814 98.99 98.99 7.44e-63 . . . . 11237 1 3 no REF XP_007948343 . "PREDICTED: histone-lysine N-methyltransferase 2C-like [Orycteropus afer afer]" . . . . . 89.19 583 97.98 98.99 7.44e-63 . . . . 11237 1 4 no REF XP_010639685 . "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X1 [Fukomys damarensis]" . . . . . 89.19 777 98.99 98.99 4.33e-63 . . . . 11237 1 5 no REF XP_010639691 . "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X2 [Fukomys damarensis]" . . . . . 89.19 777 98.99 98.99 4.33e-63 . . . . 11237 1 6 no REF XP_010639698 . "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X3 [Fukomys damarensis]" . . . . . 89.19 776 98.99 98.99 4.30e-63 . . . . 11237 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHD domain' . 11237 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 . 11237 1 2 . SER . 11237 1 3 . SER . 11237 1 4 . GLY . 11237 1 5 . SER . 11237 1 6 . SER . 11237 1 7 . GLY . 11237 1 8 . ALA . 11237 1 9 . ASN . 11237 1 10 . CYS . 11237 1 11 . ALA . 11237 1 12 . VAL . 11237 1 13 . CYS . 11237 1 14 . ASP . 11237 1 15 . SER . 11237 1 16 . PRO . 11237 1 17 . GLY . 11237 1 18 . ASP . 11237 1 19 . LEU . 11237 1 20 . LEU . 11237 1 21 . ASP . 11237 1 22 . GLN . 11237 1 23 . PHE . 11237 1 24 . PHE . 11237 1 25 . CYS . 11237 1 26 . THR . 11237 1 27 . THR . 11237 1 28 . CYS . 11237 1 29 . GLY . 11237 1 30 . GLN . 11237 1 31 . HIS . 11237 1 32 . TYR . 11237 1 33 . HIS . 11237 1 34 . GLY . 11237 1 35 . MET . 11237 1 36 . CYS . 11237 1 37 . LEU . 11237 1 38 . ASP . 11237 1 39 . ILE . 11237 1 40 . ALA . 11237 1 41 . VAL . 11237 1 42 . THR . 11237 1 43 . PRO . 11237 1 44 . LEU . 11237 1 45 . LYS . 11237 1 46 . ARG . 11237 1 47 . ALA . 11237 1 48 . GLY . 11237 1 49 . TRP . 11237 1 50 . GLN . 11237 1 51 . CYS . 11237 1 52 . PRO . 11237 1 53 . GLU . 11237 1 54 . CYS . 11237 1 55 . LYS . 11237 1 56 . VAL . 11237 1 57 . CYS . 11237 1 58 . GLN . 11237 1 59 . ASN . 11237 1 60 . CYS . 11237 1 61 . LYS . 11237 1 62 . GLN . 11237 1 63 . SER . 11237 1 64 . GLY . 11237 1 65 . GLU . 11237 1 66 . ASP . 11237 1 67 . SER . 11237 1 68 . LYS . 11237 1 69 . MET . 11237 1 70 . LEU . 11237 1 71 . VAL . 11237 1 72 . CYS . 11237 1 73 . ASP . 11237 1 74 . THR . 11237 1 75 . CYS . 11237 1 76 . ASP . 11237 1 77 . LYS . 11237 1 78 . GLY . 11237 1 79 . TYR . 11237 1 80 . HIS . 11237 1 81 . THR . 11237 1 82 . PHE . 11237 1 83 . CYS . 11237 1 84 . LEU . 11237 1 85 . GLN . 11237 1 86 . PRO . 11237 1 87 . VAL . 11237 1 88 . MET . 11237 1 89 . LYS . 11237 1 90 . SER . 11237 1 91 . VAL . 11237 1 92 . PRO . 11237 1 93 . THR . 11237 1 94 . ASN . 11237 1 95 . GLY . 11237 1 96 . TRP . 11237 1 97 . LYS . 11237 1 98 . CYS . 11237 1 99 . LYS . 11237 1 100 . ASN . 11237 1 101 . CYS . 11237 1 102 . ARG . 11237 1 103 . ILE . 11237 1 104 . CYS . 11237 1 105 . ILE . 11237 1 106 . SER . 11237 1 107 . GLY . 11237 1 108 . PRO . 11237 1 109 . SER . 11237 1 110 . SER . 11237 1 111 . GLY . 11237 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 11237 1 . SER 2 2 11237 1 . SER 3 3 11237 1 . GLY 4 4 11237 1 . SER 5 5 11237 1 . SER 6 6 11237 1 . GLY 7 7 11237 1 . ALA 8 8 11237 1 . ASN 9 9 11237 1 . CYS 10 10 11237 1 . ALA 11 11 11237 1 . VAL 12 12 11237 1 . CYS 13 13 11237 1 . ASP 14 14 11237 1 . SER 15 15 11237 1 . PRO 16 16 11237 1 . GLY 17 17 11237 1 . ASP 18 18 11237 1 . LEU 19 19 11237 1 . LEU 20 20 11237 1 . ASP 21 21 11237 1 . GLN 22 22 11237 1 . PHE 23 23 11237 1 . PHE 24 24 11237 1 . CYS 25 25 11237 1 . THR 26 26 11237 1 . THR 27 27 11237 1 . CYS 28 28 11237 1 . GLY 29 29 11237 1 . GLN 30 30 11237 1 . HIS 31 31 11237 1 . TYR 32 32 11237 1 . HIS 33 33 11237 1 . GLY 34 34 11237 1 . MET 35 35 11237 1 . CYS 36 36 11237 1 . LEU 37 37 11237 1 . ASP 38 38 11237 1 . ILE 39 39 11237 1 . ALA 40 40 11237 1 . VAL 41 41 11237 1 . THR 42 42 11237 1 . PRO 43 43 11237 1 . LEU 44 44 11237 1 . LYS 45 45 11237 1 . ARG 46 46 11237 1 . ALA 47 47 11237 1 . GLY 48 48 11237 1 . TRP 49 49 11237 1 . GLN 50 50 11237 1 . CYS 51 51 11237 1 . PRO 52 52 11237 1 . GLU 53 53 11237 1 . CYS 54 54 11237 1 . LYS 55 55 11237 1 . VAL 56 56 11237 1 . CYS 57 57 11237 1 . GLN 58 58 11237 1 . ASN 59 59 11237 1 . CYS 60 60 11237 1 . LYS 61 61 11237 1 . GLN 62 62 11237 1 . SER 63 63 11237 1 . GLY 64 64 11237 1 . GLU 65 65 11237 1 . ASP 66 66 11237 1 . SER 67 67 11237 1 . LYS 68 68 11237 1 . MET 69 69 11237 1 . LEU 70 70 11237 1 . VAL 71 71 11237 1 . CYS 72 72 11237 1 . ASP 73 73 11237 1 . THR 74 74 11237 1 . CYS 75 75 11237 1 . ASP 76 76 11237 1 . LYS 77 77 11237 1 . GLY 78 78 11237 1 . TYR 79 79 11237 1 . HIS 80 80 11237 1 . THR 81 81 11237 1 . PHE 82 82 11237 1 . CYS 83 83 11237 1 . LEU 84 84 11237 1 . GLN 85 85 11237 1 . PRO 86 86 11237 1 . VAL 87 87 11237 1 . MET 88 88 11237 1 . LYS 89 89 11237 1 . SER 90 90 11237 1 . VAL 91 91 11237 1 . PRO 92 92 11237 1 . THR 93 93 11237 1 . ASN 94 94 11237 1 . GLY 95 95 11237 1 . TRP 96 96 11237 1 . LYS 97 97 11237 1 . CYS 98 98 11237 1 . LYS 99 99 11237 1 . ASN 100 100 11237 1 . CYS 101 101 11237 1 . ARG 102 102 11237 1 . ILE 103 103 11237 1 . CYS 104 104 11237 1 . ILE 105 105 11237 1 . SER 106 106 11237 1 . GLY 107 107 11237 1 . PRO 108 108 11237 1 . SER 109 109 11237 1 . SER 110 110 11237 1 . GLY 111 111 11237 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11237 _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 2 _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 . 11237 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 11237 _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 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11237 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 11237 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P070115-52 . . . . . . 11237 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 11237 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _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 Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 11237 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11237 ZN [Zn++] SMILES CACTVS 3.341 11237 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11237 ZN [Zn+2] SMILES ACDLabs 10.04 11237 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11237 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11237 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 11237 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11237 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11237 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11237 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.94mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.94 . . mM . . . . 11237 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11237 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11237 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11237 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11237 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11237 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11237 1 8 H2O . . . . . . solvent 90 . . % . . . . 11237 1 9 D2O . . . . . . solvent 10 . . % . . . . 11237 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 11237 _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 11237 1 pH 7.0 0.05 pH 11237 1 pressure 1 0.001 atm 11237 1 temperature 293 0.1 K 11237 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11237 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11237 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11237 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11237 _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.' . . 11237 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11237 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11237 _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.' . . 11237 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11237 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11237 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11237 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11237 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11237 _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.' . . 11237 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11237 5 'structure solution' 11237 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 11237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11237 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11237 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11237 1 2 spectrometer_2 Varian INOVA . 900 . . . 11237 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11237 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11237 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11237 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11237 _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 . . . . . . . . . 11237 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11237 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11237 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 11237 _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 15N-separated NOESY' 1 $sample_1 isotropic 11237 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11237 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11237 1 2 $NMRPipe . . 11237 1 3 $NMRVIEW . . 11237 1 4 $Kujira . . 11237 1 5 $CYANA . . 11237 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 3 3 SER HA H 1 4.465 0.030 . 1 . . . . 3 SER HA . 11237 1 2 . 1 1 3 3 SER HB2 H 1 3.853 0.030 . 1 . . . . 3 SER HB2 . 11237 1 3 . 1 1 3 3 SER HB3 H 1 3.853 0.030 . 1 . . . . 3 SER HB3 . 11237 1 4 . 1 1 3 3 SER C C 13 175.043 0.300 . 1 . . . . 3 SER C . 11237 1 5 . 1 1 3 3 SER CA C 13 58.551 0.300 . 1 . . . . 3 SER CA . 11237 1 6 . 1 1 3 3 SER CB C 13 63.777 0.300 . 1 . . . . 3 SER CB . 11237 1 7 . 1 1 4 4 GLY H H 1 8.479 0.030 . 1 . . . . 4 GLY H . 11237 1 8 . 1 1 4 4 GLY HA2 H 1 4.003 0.030 . 1 . . . . 4 GLY HA2 . 11237 1 9 . 1 1 4 4 GLY HA3 H 1 4.003 0.030 . 1 . . . . 4 GLY HA3 . 11237 1 10 . 1 1 4 4 GLY C C 13 174.317 0.300 . 1 . . . . 4 GLY C . 11237 1 11 . 1 1 4 4 GLY CA C 13 45.357 0.300 . 1 . . . . 4 GLY CA . 11237 1 12 . 1 1 4 4 GLY N N 15 110.982 0.300 . 1 . . . . 4 GLY N . 11237 1 13 . 1 1 5 5 SER H H 1 8.327 0.030 . 1 . . . . 5 SER H . 11237 1 14 . 1 1 5 5 SER HA H 1 4.511 0.030 . 1 . . . . 5 SER HA . 11237 1 15 . 1 1 5 5 SER HB2 H 1 3.865 0.030 . 1 . . . . 5 SER HB2 . 11237 1 16 . 1 1 5 5 SER HB3 H 1 3.865 0.030 . 1 . . . . 5 SER HB3 . 11237 1 17 . 1 1 5 5 SER C C 13 174.876 0.300 . 1 . . . . 5 SER C . 11237 1 18 . 1 1 5 5 SER CA C 13 58.270 0.300 . 1 . . . . 5 SER CA . 11237 1 19 . 1 1 5 5 SER CB C 13 63.976 0.300 . 1 . . . . 5 SER CB . 11237 1 20 . 1 1 5 5 SER N N 15 115.894 0.300 . 1 . . . . 5 SER N . 11237 1 21 . 1 1 6 6 SER H H 1 8.467 0.030 . 1 . . . . 6 SER H . 11237 1 22 . 1 1 6 6 SER HA H 1 4.469 0.030 . 1 . . . . 6 SER HA . 11237 1 23 . 1 1 6 6 SER HB2 H 1 3.880 0.030 . 1 . . . . 6 SER HB2 . 11237 1 24 . 1 1 6 6 SER HB3 H 1 3.880 0.030 . 1 . . . . 6 SER HB3 . 11237 1 25 . 1 1 6 6 SER C C 13 174.917 0.300 . 1 . . . . 6 SER C . 11237 1 26 . 1 1 6 6 SER CA C 13 58.572 0.300 . 1 . . . . 6 SER CA . 11237 1 27 . 1 1 6 6 SER CB C 13 63.777 0.300 . 1 . . . . 6 SER CB . 11237 1 28 . 1 1 6 6 SER N N 15 117.933 0.300 . 1 . . . . 6 SER N . 11237 1 29 . 1 1 7 7 GLY H H 1 8.337 0.030 . 1 . . . . 7 GLY H . 11237 1 30 . 1 1 7 7 GLY HA2 H 1 3.914 0.030 . 1 . . . . 7 GLY HA2 . 11237 1 31 . 1 1 7 7 GLY HA3 H 1 3.914 0.030 . 1 . . . . 7 GLY HA3 . 11237 1 32 . 1 1 7 7 GLY C C 13 173.309 0.300 . 1 . . . . 7 GLY C . 11237 1 33 . 1 1 7 7 GLY CA C 13 45.326 0.300 . 1 . . . . 7 GLY CA . 11237 1 34 . 1 1 7 7 GLY N N 15 110.855 0.300 . 1 . . . . 7 GLY N . 11237 1 35 . 1 1 8 8 ALA H H 1 7.978 0.030 . 1 . . . . 8 ALA H . 11237 1 36 . 1 1 8 8 ALA HA H 1 4.075 0.030 . 1 . . . . 8 ALA HA . 11237 1 37 . 1 1 8 8 ALA HB1 H 1 0.950 0.030 . 1 . . . . 8 ALA HB . 11237 1 38 . 1 1 8 8 ALA HB2 H 1 0.950 0.030 . 1 . . . . 8 ALA HB . 11237 1 39 . 1 1 8 8 ALA HB3 H 1 0.950 0.030 . 1 . . . . 8 ALA HB . 11237 1 40 . 1 1 8 8 ALA C C 13 176.261 0.300 . 1 . . . . 8 ALA C . 11237 1 41 . 1 1 8 8 ALA CA C 13 51.770 0.300 . 1 . . . . 8 ALA CA . 11237 1 42 . 1 1 8 8 ALA CB C 13 19.094 0.300 . 1 . . . . 8 ALA CB . 11237 1 43 . 1 1 8 8 ALA N N 15 123.402 0.300 . 1 . . . . 8 ALA N . 11237 1 44 . 1 1 9 9 ASN H H 1 8.020 0.030 . 1 . . . . 9 ASN H . 11237 1 45 . 1 1 9 9 ASN HA H 1 4.253 0.030 . 1 . . . . 9 ASN HA . 11237 1 46 . 1 1 9 9 ASN HB2 H 1 2.219 0.030 . 2 . . . . 9 ASN HB2 . 11237 1 47 . 1 1 9 9 ASN HB3 H 1 2.551 0.030 . 2 . . . . 9 ASN HB3 . 11237 1 48 . 1 1 9 9 ASN HD21 H 1 7.189 0.030 . 2 . . . . 9 ASN HD21 . 11237 1 49 . 1 1 9 9 ASN HD22 H 1 6.574 0.030 . 2 . . . . 9 ASN HD22 . 11237 1 50 . 1 1 9 9 ASN C C 13 174.449 0.300 . 1 . . . . 9 ASN C . 11237 1 51 . 1 1 9 9 ASN CA C 13 51.955 0.300 . 1 . . . . 9 ASN CA . 11237 1 52 . 1 1 9 9 ASN CB C 13 39.153 0.300 . 1 . . . . 9 ASN CB . 11237 1 53 . 1 1 9 9 ASN N N 15 116.712 0.300 . 1 . . . . 9 ASN N . 11237 1 54 . 1 1 9 9 ASN ND2 N 15 110.808 0.300 . 1 . . . . 9 ASN ND2 . 11237 1 55 . 1 1 10 10 CYS H H 1 7.653 0.030 . 1 . . . . 10 CYS H . 11237 1 56 . 1 1 10 10 CYS HA H 1 4.026 0.030 . 1 . . . . 10 CYS HA . 11237 1 57 . 1 1 10 10 CYS HB2 H 1 3.412 0.030 . 2 . . . . 10 CYS HB2 . 11237 1 58 . 1 1 10 10 CYS HB3 H 1 1.934 0.030 . 2 . . . . 10 CYS HB3 . 11237 1 59 . 1 1 10 10 CYS C C 13 177.216 0.300 . 1 . . . . 10 CYS C . 11237 1 60 . 1 1 10 10 CYS CA C 13 57.915 0.300 . 1 . . . . 10 CYS CA . 11237 1 61 . 1 1 10 10 CYS CB C 13 31.896 0.300 . 1 . . . . 10 CYS CB . 11237 1 62 . 1 1 10 10 CYS N N 15 123.067 0.300 . 1 . . . . 10 CYS N . 11237 1 63 . 1 1 11 11 ALA H H 1 8.334 0.030 . 1 . . . . 11 ALA H . 11237 1 64 . 1 1 11 11 ALA HA H 1 4.083 0.030 . 1 . . . . 11 ALA HA . 11237 1 65 . 1 1 11 11 ALA HB1 H 1 1.059 0.030 . 1 . . . . 11 ALA HB . 11237 1 66 . 1 1 11 11 ALA HB2 H 1 1.059 0.030 . 1 . . . . 11 ALA HB . 11237 1 67 . 1 1 11 11 ALA HB3 H 1 1.059 0.030 . 1 . . . . 11 ALA HB . 11237 1 68 . 1 1 11 11 ALA C C 13 177.997 0.300 . 1 . . . . 11 ALA C . 11237 1 69 . 1 1 11 11 ALA CA C 13 54.006 0.300 . 1 . . . . 11 ALA CA . 11237 1 70 . 1 1 11 11 ALA CB C 13 18.697 0.300 . 1 . . . . 11 ALA CB . 11237 1 71 . 1 1 11 11 ALA N N 15 130.880 0.300 . 1 . . . . 11 ALA N . 11237 1 72 . 1 1 12 12 VAL H H 1 9.232 0.030 . 1 . . . . 12 VAL H . 11237 1 73 . 1 1 12 12 VAL HA H 1 4.087 0.030 . 1 . . . . 12 VAL HA . 11237 1 74 . 1 1 12 12 VAL HB H 1 2.216 0.030 . 1 . . . . 12 VAL HB . 11237 1 75 . 1 1 12 12 VAL HG11 H 1 1.237 0.030 . 1 . . . . 12 VAL HG1 . 11237 1 76 . 1 1 12 12 VAL HG12 H 1 1.237 0.030 . 1 . . . . 12 VAL HG1 . 11237 1 77 . 1 1 12 12 VAL HG13 H 1 1.237 0.030 . 1 . . . . 12 VAL HG1 . 11237 1 78 . 1 1 12 12 VAL HG21 H 1 1.116 0.030 . 1 . . . . 12 VAL HG2 . 11237 1 79 . 1 1 12 12 VAL HG22 H 1 1.116 0.030 . 1 . . . . 12 VAL HG2 . 11237 1 80 . 1 1 12 12 VAL HG23 H 1 1.116 0.030 . 1 . . . . 12 VAL HG2 . 11237 1 81 . 1 1 12 12 VAL C C 13 176.911 0.300 . 1 . . . . 12 VAL C . 11237 1 82 . 1 1 12 12 VAL CA C 13 64.984 0.300 . 1 . . . . 12 VAL CA . 11237 1 83 . 1 1 12 12 VAL CB C 13 33.143 0.300 . 1 . . . . 12 VAL CB . 11237 1 84 . 1 1 12 12 VAL CG1 C 13 21.667 0.300 . 2 . . . . 12 VAL CG1 . 11237 1 85 . 1 1 12 12 VAL CG2 C 13 20.729 0.300 . 2 . . . . 12 VAL CG2 . 11237 1 86 . 1 1 12 12 VAL N N 15 120.510 0.300 . 1 . . . . 12 VAL N . 11237 1 87 . 1 1 13 13 CYS H H 1 7.925 0.030 . 1 . . . . 13 CYS H . 11237 1 88 . 1 1 13 13 CYS HA H 1 4.881 0.030 . 1 . . . . 13 CYS HA . 11237 1 89 . 1 1 13 13 CYS HB2 H 1 3.296 0.030 . 2 . . . . 13 CYS HB2 . 11237 1 90 . 1 1 13 13 CYS HB3 H 1 3.035 0.030 . 2 . . . . 13 CYS HB3 . 11237 1 91 . 1 1 13 13 CYS C C 13 175.965 0.300 . 1 . . . . 13 CYS C . 11237 1 92 . 1 1 13 13 CYS CA C 13 58.551 0.300 . 1 . . . . 13 CYS CA . 11237 1 93 . 1 1 13 13 CYS CB C 13 31.030 0.300 . 1 . . . . 13 CYS CB . 11237 1 94 . 1 1 13 13 CYS N N 15 116.822 0.300 . 1 . . . . 13 CYS N . 11237 1 95 . 1 1 14 14 ASP H H 1 8.222 0.030 . 1 . . . . 14 ASP H . 11237 1 96 . 1 1 14 14 ASP HA H 1 4.524 0.030 . 1 . . . . 14 ASP HA . 11237 1 97 . 1 1 14 14 ASP HB2 H 1 2.461 0.030 . 2 . . . . 14 ASP HB2 . 11237 1 98 . 1 1 14 14 ASP HB3 H 1 3.062 0.030 . 2 . . . . 14 ASP HB3 . 11237 1 99 . 1 1 14 14 ASP C C 13 174.158 0.300 . 1 . . . . 14 ASP C . 11237 1 100 . 1 1 14 14 ASP CA C 13 55.537 0.300 . 1 . . . . 14 ASP CA . 11237 1 101 . 1 1 14 14 ASP CB C 13 40.417 0.300 . 1 . . . . 14 ASP CB . 11237 1 102 . 1 1 14 14 ASP N N 15 122.363 0.300 . 1 . . . . 14 ASP N . 11237 1 103 . 1 1 15 15 SER H H 1 7.919 0.030 . 1 . . . . 15 SER H . 11237 1 104 . 1 1 15 15 SER HA H 1 5.115 0.030 . 1 . . . . 15 SER HA . 11237 1 105 . 1 1 15 15 SER HB2 H 1 3.999 0.030 . 1 . . . . 15 SER HB2 . 11237 1 106 . 1 1 15 15 SER HB3 H 1 3.999 0.030 . 1 . . . . 15 SER HB3 . 11237 1 107 . 1 1 15 15 SER C C 13 173.721 0.300 . 1 . . . . 15 SER C . 11237 1 108 . 1 1 15 15 SER CA C 13 55.726 0.300 . 1 . . . . 15 SER CA . 11237 1 109 . 1 1 15 15 SER CB C 13 65.366 0.300 . 1 . . . . 15 SER CB . 11237 1 110 . 1 1 15 15 SER N N 15 112.839 0.300 . 1 . . . . 15 SER N . 11237 1 111 . 1 1 16 16 PRO HA H 1 4.626 0.030 . 1 . . . . 16 PRO HA . 11237 1 112 . 1 1 16 16 PRO HB2 H 1 2.246 0.030 . 2 . . . . 16 PRO HB2 . 11237 1 113 . 1 1 16 16 PRO HB3 H 1 1.980 0.030 . 2 . . . . 16 PRO HB3 . 11237 1 114 . 1 1 16 16 PRO HD2 H 1 3.842 0.030 . 1 . . . . 16 PRO HD2 . 11237 1 115 . 1 1 16 16 PRO HD3 H 1 3.842 0.030 . 1 . . . . 16 PRO HD3 . 11237 1 116 . 1 1 16 16 PRO HG2 H 1 2.038 0.030 . 2 . . . . 16 PRO HG2 . 11237 1 117 . 1 1 16 16 PRO HG3 H 1 2.002 0.030 . 2 . . . . 16 PRO HG3 . 11237 1 118 . 1 1 16 16 PRO C C 13 178.432 0.300 . 1 . . . . 16 PRO C . 11237 1 119 . 1 1 16 16 PRO CA C 13 63.800 0.300 . 1 . . . . 16 PRO CA . 11237 1 120 . 1 1 16 16 PRO CB C 13 31.999 0.300 . 1 . . . . 16 PRO CB . 11237 1 121 . 1 1 16 16 PRO CD C 13 50.851 0.300 . 1 . . . . 16 PRO CD . 11237 1 122 . 1 1 16 16 PRO CG C 13 27.048 0.300 . 1 . . . . 16 PRO CG . 11237 1 123 . 1 1 17 17 GLY H H 1 8.053 0.030 . 1 . . . . 17 GLY H . 11237 1 124 . 1 1 17 17 GLY HA2 H 1 3.605 0.030 . 2 . . . . 17 GLY HA2 . 11237 1 125 . 1 1 17 17 GLY HA3 H 1 3.853 0.030 . 2 . . . . 17 GLY HA3 . 11237 1 126 . 1 1 17 17 GLY C C 13 172.426 0.300 . 1 . . . . 17 GLY C . 11237 1 127 . 1 1 17 17 GLY CA C 13 45.875 0.300 . 1 . . . . 17 GLY CA . 11237 1 128 . 1 1 17 17 GLY N N 15 106.567 0.300 . 1 . . . . 17 GLY N . 11237 1 129 . 1 1 18 18 ASP H H 1 8.640 0.030 . 1 . . . . 18 ASP H . 11237 1 130 . 1 1 18 18 ASP HA H 1 4.553 0.030 . 1 . . . . 18 ASP HA . 11237 1 131 . 1 1 18 18 ASP HB2 H 1 2.564 0.030 . 2 . . . . 18 ASP HB2 . 11237 1 132 . 1 1 18 18 ASP HB3 H 1 2.848 0.030 . 2 . . . . 18 ASP HB3 . 11237 1 133 . 1 1 18 18 ASP C C 13 176.824 0.300 . 1 . . . . 18 ASP C . 11237 1 134 . 1 1 18 18 ASP CA C 13 53.763 0.300 . 1 . . . . 18 ASP CA . 11237 1 135 . 1 1 18 18 ASP CB C 13 40.535 0.300 . 1 . . . . 18 ASP CB . 11237 1 136 . 1 1 18 18 ASP N N 15 122.553 0.300 . 1 . . . . 18 ASP N . 11237 1 137 . 1 1 19 19 LEU H H 1 8.337 0.030 . 1 . . . . 19 LEU H . 11237 1 138 . 1 1 19 19 LEU HA H 1 4.043 0.030 . 1 . . . . 19 LEU HA . 11237 1 139 . 1 1 19 19 LEU HB2 H 1 1.515 0.030 . 2 . . . . 19 LEU HB2 . 11237 1 140 . 1 1 19 19 LEU HB3 H 1 1.612 0.030 . 2 . . . . 19 LEU HB3 . 11237 1 141 . 1 1 19 19 LEU HD11 H 1 0.779 0.030 . 1 . . . . 19 LEU HD1 . 11237 1 142 . 1 1 19 19 LEU HD12 H 1 0.779 0.030 . 1 . . . . 19 LEU HD1 . 11237 1 143 . 1 1 19 19 LEU HD13 H 1 0.779 0.030 . 1 . . . . 19 LEU HD1 . 11237 1 144 . 1 1 19 19 LEU HD21 H 1 0.698 0.030 . 1 . . . . 19 LEU HD2 . 11237 1 145 . 1 1 19 19 LEU HD22 H 1 0.698 0.030 . 1 . . . . 19 LEU HD2 . 11237 1 146 . 1 1 19 19 LEU HD23 H 1 0.698 0.030 . 1 . . . . 19 LEU HD2 . 11237 1 147 . 1 1 19 19 LEU HG H 1 1.616 0.030 . 1 . . . . 19 LEU HG . 11237 1 148 . 1 1 19 19 LEU C C 13 179.414 0.300 . 1 . . . . 19 LEU C . 11237 1 149 . 1 1 19 19 LEU CA C 13 57.061 0.300 . 1 . . . . 19 LEU CA . 11237 1 150 . 1 1 19 19 LEU CB C 13 42.241 0.300 . 1 . . . . 19 LEU CB . 11237 1 151 . 1 1 19 19 LEU CD1 C 13 24.822 0.300 . 2 . . . . 19 LEU CD1 . 11237 1 152 . 1 1 19 19 LEU CD2 C 13 23.461 0.300 . 2 . . . . 19 LEU CD2 . 11237 1 153 . 1 1 19 19 LEU CG C 13 26.969 0.300 . 1 . . . . 19 LEU CG . 11237 1 154 . 1 1 19 19 LEU N N 15 123.687 0.300 . 1 . . . . 19 LEU N . 11237 1 155 . 1 1 20 20 LEU H H 1 8.180 0.030 . 1 . . . . 20 LEU H . 11237 1 156 . 1 1 20 20 LEU HA H 1 4.164 0.030 . 1 . . . . 20 LEU HA . 11237 1 157 . 1 1 20 20 LEU HB2 H 1 1.839 0.030 . 2 . . . . 20 LEU HB2 . 11237 1 158 . 1 1 20 20 LEU HB3 H 1 1.548 0.030 . 2 . . . . 20 LEU HB3 . 11237 1 159 . 1 1 20 20 LEU HD11 H 1 0.904 0.030 . 1 . . . . 20 LEU HD1 . 11237 1 160 . 1 1 20 20 LEU HD12 H 1 0.904 0.030 . 1 . . . . 20 LEU HD1 . 11237 1 161 . 1 1 20 20 LEU HD13 H 1 0.904 0.030 . 1 . . . . 20 LEU HD1 . 11237 1 162 . 1 1 20 20 LEU HD21 H 1 0.834 0.030 . 1 . . . . 20 LEU HD2 . 11237 1 163 . 1 1 20 20 LEU HD22 H 1 0.834 0.030 . 1 . . . . 20 LEU HD2 . 11237 1 164 . 1 1 20 20 LEU HD23 H 1 0.834 0.030 . 1 . . . . 20 LEU HD2 . 11237 1 165 . 1 1 20 20 LEU HG H 1 1.647 0.030 . 1 . . . . 20 LEU HG . 11237 1 166 . 1 1 20 20 LEU C C 13 177.689 0.300 . 1 . . . . 20 LEU C . 11237 1 167 . 1 1 20 20 LEU CA C 13 56.410 0.300 . 1 . . . . 20 LEU CA . 11237 1 168 . 1 1 20 20 LEU CB C 13 41.044 0.300 . 1 . . . . 20 LEU CB . 11237 1 169 . 1 1 20 20 LEU CD1 C 13 24.852 0.300 . 2 . . . . 20 LEU CD1 . 11237 1 170 . 1 1 20 20 LEU CD2 C 13 23.000 0.300 . 2 . . . . 20 LEU CD2 . 11237 1 171 . 1 1 20 20 LEU CG C 13 27.148 0.300 . 1 . . . . 20 LEU CG . 11237 1 172 . 1 1 20 20 LEU N N 15 118.444 0.300 . 1 . . . . 20 LEU N . 11237 1 173 . 1 1 21 21 ASP H H 1 7.829 0.030 . 1 . . . . 21 ASP H . 11237 1 174 . 1 1 21 21 ASP HA H 1 4.819 0.030 . 1 . . . . 21 ASP HA . 11237 1 175 . 1 1 21 21 ASP HB2 H 1 2.601 0.030 . 2 . . . . 21 ASP HB2 . 11237 1 176 . 1 1 21 21 ASP HB3 H 1 2.716 0.030 . 2 . . . . 21 ASP HB3 . 11237 1 177 . 1 1 21 21 ASP C C 13 175.696 0.300 . 1 . . . . 21 ASP C . 11237 1 178 . 1 1 21 21 ASP CA C 13 53.412 0.300 . 1 . . . . 21 ASP CA . 11237 1 179 . 1 1 21 21 ASP CB C 13 42.447 0.300 . 1 . . . . 21 ASP CB . 11237 1 180 . 1 1 21 21 ASP N N 15 118.197 0.300 . 1 . . . . 21 ASP N . 11237 1 181 . 1 1 22 22 GLN H H 1 7.360 0.030 . 1 . . . . 22 GLN H . 11237 1 182 . 1 1 22 22 GLN HA H 1 4.622 0.030 . 1 . . . . 22 GLN HA . 11237 1 183 . 1 1 22 22 GLN HB2 H 1 2.007 0.030 . 2 . . . . 22 GLN HB2 . 11237 1 184 . 1 1 22 22 GLN HB3 H 1 2.101 0.030 . 2 . . . . 22 GLN HB3 . 11237 1 185 . 1 1 22 22 GLN HE21 H 1 6.780 0.030 . 1 . . . . 22 GLN HE21 . 11237 1 186 . 1 1 22 22 GLN HE22 H 1 6.780 0.030 . 1 . . . . 22 GLN HE22 . 11237 1 187 . 1 1 22 22 GLN HG2 H 1 2.610 0.030 . 2 . . . . 22 GLN HG2 . 11237 1 188 . 1 1 22 22 GLN HG3 H 1 1.965 0.030 . 2 . . . . 22 GLN HG3 . 11237 1 189 . 1 1 22 22 GLN C C 13 175.428 0.300 . 1 . . . . 22 GLN C . 11237 1 190 . 1 1 22 22 GLN CA C 13 55.711 0.300 . 1 . . . . 22 GLN CA . 11237 1 191 . 1 1 22 22 GLN CB C 13 30.158 0.300 . 1 . . . . 22 GLN CB . 11237 1 192 . 1 1 22 22 GLN CG C 13 34.756 0.300 . 1 . . . . 22 GLN CG . 11237 1 193 . 1 1 22 22 GLN N N 15 117.085 0.300 . 1 . . . . 22 GLN N . 11237 1 194 . 1 1 22 22 GLN NE2 N 15 110.281 0.300 . 1 . . . . 22 GLN NE2 . 11237 1 195 . 1 1 23 23 PHE H H 1 8.890 0.030 . 1 . . . . 23 PHE H . 11237 1 196 . 1 1 23 23 PHE HA H 1 4.284 0.030 . 1 . . . . 23 PHE HA . 11237 1 197 . 1 1 23 23 PHE HB2 H 1 2.055 0.030 . 2 . . . . 23 PHE HB2 . 11237 1 198 . 1 1 23 23 PHE HB3 H 1 1.497 0.030 . 2 . . . . 23 PHE HB3 . 11237 1 199 . 1 1 23 23 PHE HD1 H 1 6.231 0.030 . 1 . . . . 23 PHE HD1 . 11237 1 200 . 1 1 23 23 PHE HD2 H 1 6.231 0.030 . 1 . . . . 23 PHE HD2 . 11237 1 201 . 1 1 23 23 PHE HE1 H 1 6.623 0.030 . 1 . . . . 23 PHE HE1 . 11237 1 202 . 1 1 23 23 PHE HE2 H 1 6.623 0.030 . 1 . . . . 23 PHE HE2 . 11237 1 203 . 1 1 23 23 PHE HZ H 1 6.779 0.030 . 1 . . . . 23 PHE HZ . 11237 1 204 . 1 1 23 23 PHE C C 13 174.573 0.300 . 1 . . . . 23 PHE C . 11237 1 205 . 1 1 23 23 PHE CA C 13 57.645 0.300 . 1 . . . . 23 PHE CA . 11237 1 206 . 1 1 23 23 PHE CB C 13 40.148 0.300 . 1 . . . . 23 PHE CB . 11237 1 207 . 1 1 23 23 PHE CD1 C 13 130.525 0.300 . 1 . . . . 23 PHE CD1 . 11237 1 208 . 1 1 23 23 PHE CD2 C 13 130.525 0.300 . 1 . . . . 23 PHE CD2 . 11237 1 209 . 1 1 23 23 PHE CE1 C 13 129.885 0.300 . 1 . . . . 23 PHE CE1 . 11237 1 210 . 1 1 23 23 PHE CE2 C 13 129.885 0.300 . 1 . . . . 23 PHE CE2 . 11237 1 211 . 1 1 23 23 PHE CZ C 13 127.895 0.300 . 1 . . . . 23 PHE CZ . 11237 1 212 . 1 1 24 24 PHE H H 1 8.221 0.030 . 1 . . . . 24 PHE H . 11237 1 213 . 1 1 24 24 PHE HA H 1 5.078 0.030 . 1 . . . . 24 PHE HA . 11237 1 214 . 1 1 24 24 PHE HB2 H 1 2.810 0.030 . 2 . . . . 24 PHE HB2 . 11237 1 215 . 1 1 24 24 PHE HB3 H 1 2.718 0.030 . 2 . . . . 24 PHE HB3 . 11237 1 216 . 1 1 24 24 PHE HD1 H 1 6.596 0.030 . 1 . . . . 24 PHE HD1 . 11237 1 217 . 1 1 24 24 PHE HD2 H 1 6.596 0.030 . 1 . . . . 24 PHE HD2 . 11237 1 218 . 1 1 24 24 PHE HE1 H 1 7.197 0.030 . 1 . . . . 24 PHE HE1 . 11237 1 219 . 1 1 24 24 PHE HE2 H 1 7.197 0.030 . 1 . . . . 24 PHE HE2 . 11237 1 220 . 1 1 24 24 PHE HZ H 1 7.221 0.030 . 1 . . . . 24 PHE HZ . 11237 1 221 . 1 1 24 24 PHE C C 13 174.206 0.300 . 1 . . . . 24 PHE C . 11237 1 222 . 1 1 24 24 PHE CA C 13 55.301 0.300 . 1 . . . . 24 PHE CA . 11237 1 223 . 1 1 24 24 PHE CB C 13 41.322 0.300 . 1 . . . . 24 PHE CB . 11237 1 224 . 1 1 24 24 PHE CD1 C 13 131.292 0.300 . 1 . . . . 24 PHE CD1 . 11237 1 225 . 1 1 24 24 PHE CD2 C 13 131.292 0.300 . 1 . . . . 24 PHE CD2 . 11237 1 226 . 1 1 24 24 PHE CE1 C 13 131.146 0.300 . 1 . . . . 24 PHE CE1 . 11237 1 227 . 1 1 24 24 PHE CE2 C 13 131.146 0.300 . 1 . . . . 24 PHE CE2 . 11237 1 228 . 1 1 24 24 PHE CZ C 13 129.552 0.300 . 1 . . . . 24 PHE CZ . 11237 1 229 . 1 1 24 24 PHE N N 15 120.994 0.300 . 1 . . . . 24 PHE N . 11237 1 230 . 1 1 25 25 CYS H H 1 8.927 0.030 . 1 . . . . 25 CYS H . 11237 1 231 . 1 1 25 25 CYS HA H 1 4.728 0.030 . 1 . . . . 25 CYS HA . 11237 1 232 . 1 1 25 25 CYS HB2 H 1 3.513 0.030 . 2 . . . . 25 CYS HB2 . 11237 1 233 . 1 1 25 25 CYS HB3 H 1 2.862 0.030 . 2 . . . . 25 CYS HB3 . 11237 1 234 . 1 1 25 25 CYS C C 13 176.538 0.300 . 1 . . . . 25 CYS C . 11237 1 235 . 1 1 25 25 CYS CA C 13 60.174 0.300 . 1 . . . . 25 CYS CA . 11237 1 236 . 1 1 25 25 CYS CB C 13 30.851 0.300 . 1 . . . . 25 CYS CB . 11237 1 237 . 1 1 25 25 CYS N N 15 128.542 0.300 . 1 . . . . 25 CYS N . 11237 1 238 . 1 1 26 26 THR H H 1 8.924 0.030 . 1 . . . . 26 THR H . 11237 1 239 . 1 1 26 26 THR HA H 1 4.001 0.030 . 1 . . . . 26 THR HA . 11237 1 240 . 1 1 26 26 THR HB H 1 4.391 0.030 . 1 . . . . 26 THR HB . 11237 1 241 . 1 1 26 26 THR HG21 H 1 1.546 0.030 . 1 . . . . 26 THR HG2 . 11237 1 242 . 1 1 26 26 THR HG22 H 1 1.546 0.030 . 1 . . . . 26 THR HG2 . 11237 1 243 . 1 1 26 26 THR HG23 H 1 1.546 0.030 . 1 . . . . 26 THR HG2 . 11237 1 244 . 1 1 26 26 THR C C 13 174.588 0.300 . 1 . . . . 26 THR C . 11237 1 245 . 1 1 26 26 THR CA C 13 64.422 0.300 . 1 . . . . 26 THR CA . 11237 1 246 . 1 1 26 26 THR CB C 13 69.566 0.300 . 1 . . . . 26 THR CB . 11237 1 247 . 1 1 26 26 THR CG2 C 13 22.138 0.300 . 1 . . . . 26 THR CG2 . 11237 1 248 . 1 1 26 26 THR N N 15 122.870 0.300 . 1 . . . . 26 THR N . 11237 1 249 . 1 1 27 27 THR H H 1 8.963 0.030 . 1 . . . . 27 THR H . 11237 1 250 . 1 1 27 27 THR HA H 1 4.365 0.030 . 1 . . . . 27 THR HA . 11237 1 251 . 1 1 27 27 THR HB H 1 4.433 0.030 . 1 . . . . 27 THR HB . 11237 1 252 . 1 1 27 27 THR HG21 H 1 1.263 0.030 . 1 . . . . 27 THR HG2 . 11237 1 253 . 1 1 27 27 THR HG22 H 1 1.263 0.030 . 1 . . . . 27 THR HG2 . 11237 1 254 . 1 1 27 27 THR HG23 H 1 1.263 0.030 . 1 . . . . 27 THR HG2 . 11237 1 255 . 1 1 27 27 THR C C 13 175.142 0.300 . 1 . . . . 27 THR C . 11237 1 256 . 1 1 27 27 THR CA C 13 66.005 0.300 . 1 . . . . 27 THR CA . 11237 1 257 . 1 1 27 27 THR CB C 13 69.112 0.300 . 1 . . . . 27 THR CB . 11237 1 258 . 1 1 27 27 THR CG2 C 13 22.696 0.300 . 1 . . . . 27 THR CG2 . 11237 1 259 . 1 1 27 27 THR N N 15 121.309 0.300 . 1 . . . . 27 THR N . 11237 1 260 . 1 1 28 28 CYS H H 1 8.526 0.030 . 1 . . . . 28 CYS H . 11237 1 261 . 1 1 28 28 CYS HA H 1 4.868 0.030 . 1 . . . . 28 CYS HA . 11237 1 262 . 1 1 28 28 CYS HB2 H 1 3.197 0.030 . 2 . . . . 28 CYS HB2 . 11237 1 263 . 1 1 28 28 CYS HB3 H 1 2.667 0.030 . 2 . . . . 28 CYS HB3 . 11237 1 264 . 1 1 28 28 CYS C C 13 177.162 0.300 . 1 . . . . 28 CYS C . 11237 1 265 . 1 1 28 28 CYS CA C 13 59.273 0.300 . 1 . . . . 28 CYS CA . 11237 1 266 . 1 1 28 28 CYS CB C 13 32.398 0.300 . 1 . . . . 28 CYS CB . 11237 1 267 . 1 1 28 28 CYS N N 15 120.551 0.300 . 1 . . . . 28 CYS N . 11237 1 268 . 1 1 29 29 GLY H H 1 7.839 0.030 . 1 . . . . 29 GLY H . 11237 1 269 . 1 1 29 29 GLY HA2 H 1 3.776 0.030 . 2 . . . . 29 GLY HA2 . 11237 1 270 . 1 1 29 29 GLY HA3 H 1 4.090 0.030 . 2 . . . . 29 GLY HA3 . 11237 1 271 . 1 1 29 29 GLY C C 13 173.827 0.300 . 1 . . . . 29 GLY C . 11237 1 272 . 1 1 29 29 GLY CA C 13 46.425 0.300 . 1 . . . . 29 GLY CA . 11237 1 273 . 1 1 29 29 GLY N N 15 112.977 0.300 . 1 . . . . 29 GLY N . 11237 1 274 . 1 1 30 30 GLN H H 1 8.295 0.030 . 1 . . . . 30 GLN H . 11237 1 275 . 1 1 30 30 GLN HA H 1 4.459 0.030 . 1 . . . . 30 GLN HA . 11237 1 276 . 1 1 30 30 GLN HB2 H 1 2.276 0.030 . 2 . . . . 30 GLN HB2 . 11237 1 277 . 1 1 30 30 GLN HB3 H 1 1.939 0.030 . 2 . . . . 30 GLN HB3 . 11237 1 278 . 1 1 30 30 GLN HE21 H 1 6.948 0.030 . 2 . . . . 30 GLN HE21 . 11237 1 279 . 1 1 30 30 GLN HE22 H 1 7.810 0.030 . 2 . . . . 30 GLN HE22 . 11237 1 280 . 1 1 30 30 GLN HG2 H 1 2.614 0.030 . 2 . . . . 30 GLN HG2 . 11237 1 281 . 1 1 30 30 GLN HG3 H 1 2.282 0.030 . 2 . . . . 30 GLN HG3 . 11237 1 282 . 1 1 30 30 GLN C C 13 174.743 0.300 . 1 . . . . 30 GLN C . 11237 1 283 . 1 1 30 30 GLN CA C 13 56.776 0.300 . 1 . . . . 30 GLN CA . 11237 1 284 . 1 1 30 30 GLN CB C 13 31.167 0.300 . 1 . . . . 30 GLN CB . 11237 1 285 . 1 1 30 30 GLN CG C 13 35.651 0.300 . 1 . . . . 30 GLN CG . 11237 1 286 . 1 1 30 30 GLN N N 15 119.758 0.300 . 1 . . . . 30 GLN N . 11237 1 287 . 1 1 30 30 GLN NE2 N 15 114.605 0.300 . 1 . . . . 30 GLN NE2 . 11237 1 288 . 1 1 31 31 HIS H H 1 8.747 0.030 . 1 . . . . 31 HIS H . 11237 1 289 . 1 1 31 31 HIS HA H 1 5.561 0.030 . 1 . . . . 31 HIS HA . 11237 1 290 . 1 1 31 31 HIS HB2 H 1 2.735 0.030 . 2 . . . . 31 HIS HB2 . 11237 1 291 . 1 1 31 31 HIS HB3 H 1 2.642 0.030 . 2 . . . . 31 HIS HB3 . 11237 1 292 . 1 1 31 31 HIS HD2 H 1 7.097 0.030 . 1 . . . . 31 HIS HD2 . 11237 1 293 . 1 1 31 31 HIS HE1 H 1 7.929 0.030 . 1 . . . . 31 HIS HE1 . 11237 1 294 . 1 1 31 31 HIS C C 13 174.295 0.300 . 1 . . . . 31 HIS C . 11237 1 295 . 1 1 31 31 HIS CA C 13 55.269 0.300 . 1 . . . . 31 HIS CA . 11237 1 296 . 1 1 31 31 HIS CB C 13 31.197 0.300 . 1 . . . . 31 HIS CB . 11237 1 297 . 1 1 31 31 HIS CD2 C 13 122.025 0.300 . 1 . . . . 31 HIS CD2 . 11237 1 298 . 1 1 31 31 HIS CE1 C 13 137.057 0.300 . 1 . . . . 31 HIS CE1 . 11237 1 299 . 1 1 31 31 HIS N N 15 119.700 0.300 . 1 . . . . 31 HIS N . 11237 1 300 . 1 1 32 32 TYR H H 1 8.876 0.030 . 1 . . . . 32 TYR H . 11237 1 301 . 1 1 32 32 TYR HA H 1 5.470 0.030 . 1 . . . . 32 TYR HA . 11237 1 302 . 1 1 32 32 TYR HB2 H 1 2.818 0.030 . 2 . . . . 32 TYR HB2 . 11237 1 303 . 1 1 32 32 TYR HB3 H 1 2.602 0.030 . 2 . . . . 32 TYR HB3 . 11237 1 304 . 1 1 32 32 TYR HD1 H 1 7.144 0.030 . 1 . . . . 32 TYR HD1 . 11237 1 305 . 1 1 32 32 TYR HD2 H 1 7.144 0.030 . 1 . . . . 32 TYR HD2 . 11237 1 306 . 1 1 32 32 TYR HE1 H 1 6.775 0.030 . 1 . . . . 32 TYR HE1 . 11237 1 307 . 1 1 32 32 TYR HE2 H 1 6.775 0.030 . 1 . . . . 32 TYR HE2 . 11237 1 308 . 1 1 32 32 TYR C C 13 176.273 0.300 . 1 . . . . 32 TYR C . 11237 1 309 . 1 1 32 32 TYR CA C 13 56.631 0.300 . 1 . . . . 32 TYR CA . 11237 1 310 . 1 1 32 32 TYR CB C 13 44.178 0.300 . 1 . . . . 32 TYR CB . 11237 1 311 . 1 1 32 32 TYR CD1 C 13 133.260 0.300 . 1 . . . . 32 TYR CD1 . 11237 1 312 . 1 1 32 32 TYR CD2 C 13 133.260 0.300 . 1 . . . . 32 TYR CD2 . 11237 1 313 . 1 1 32 32 TYR CE1 C 13 119.171 0.300 . 1 . . . . 32 TYR CE1 . 11237 1 314 . 1 1 32 32 TYR CE2 C 13 119.171 0.300 . 1 . . . . 32 TYR CE2 . 11237 1 315 . 1 1 32 32 TYR N N 15 117.162 0.300 . 1 . . . . 32 TYR N . 11237 1 316 . 1 1 33 33 HIS H H 1 9.337 0.030 . 1 . . . . 33 HIS H . 11237 1 317 . 1 1 33 33 HIS HA H 1 5.071 0.030 . 1 . . . . 33 HIS HA . 11237 1 318 . 1 1 33 33 HIS HB2 H 1 3.757 0.030 . 2 . . . . 33 HIS HB2 . 11237 1 319 . 1 1 33 33 HIS HB3 H 1 3.817 0.030 . 2 . . . . 33 HIS HB3 . 11237 1 320 . 1 1 33 33 HIS HD2 H 1 7.280 0.030 . 1 . . . . 33 HIS HD2 . 11237 1 321 . 1 1 33 33 HIS HE1 H 1 7.545 0.030 . 1 . . . . 33 HIS HE1 . 11237 1 322 . 1 1 33 33 HIS C C 13 177.808 0.300 . 1 . . . . 33 HIS C . 11237 1 323 . 1 1 33 33 HIS CA C 13 58.130 0.300 . 1 . . . . 33 HIS CA . 11237 1 324 . 1 1 33 33 HIS CB C 13 30.648 0.300 . 1 . . . . 33 HIS CB . 11237 1 325 . 1 1 33 33 HIS CD2 C 13 117.989 0.300 . 1 . . . . 33 HIS CD2 . 11237 1 326 . 1 1 33 33 HIS CE1 C 13 138.840 0.300 . 1 . . . . 33 HIS CE1 . 11237 1 327 . 1 1 33 33 HIS N N 15 121.223 0.300 . 1 . . . . 33 HIS N . 11237 1 328 . 1 1 34 34 GLY H H 1 9.270 0.030 . 1 . . . . 34 GLY H . 11237 1 329 . 1 1 34 34 GLY HA2 H 1 4.078 0.030 . 2 . . . . 34 GLY HA2 . 11237 1 330 . 1 1 34 34 GLY HA3 H 1 3.746 0.030 . 2 . . . . 34 GLY HA3 . 11237 1 331 . 1 1 34 34 GLY C C 13 178.121 0.300 . 1 . . . . 34 GLY C . 11237 1 332 . 1 1 34 34 GLY CA C 13 48.888 0.300 . 1 . . . . 34 GLY CA . 11237 1 333 . 1 1 34 34 GLY N N 15 113.997 0.300 . 1 . . . . 34 GLY N . 11237 1 334 . 1 1 35 35 MET H H 1 10.106 0.030 . 1 . . . . 35 MET H . 11237 1 335 . 1 1 35 35 MET HA H 1 4.414 0.030 . 1 . . . . 35 MET HA . 11237 1 336 . 1 1 35 35 MET HB2 H 1 2.124 0.030 . 2 . . . . 35 MET HB2 . 11237 1 337 . 1 1 35 35 MET HB3 H 1 2.183 0.030 . 2 . . . . 35 MET HB3 . 11237 1 338 . 1 1 35 35 MET HE1 H 1 2.047 0.030 . 1 . . . . 35 MET HE . 11237 1 339 . 1 1 35 35 MET HE2 H 1 2.047 0.030 . 1 . . . . 35 MET HE . 11237 1 340 . 1 1 35 35 MET HE3 H 1 2.047 0.030 . 1 . . . . 35 MET HE . 11237 1 341 . 1 1 35 35 MET HG2 H 1 2.780 0.030 . 2 . . . . 35 MET HG2 . 11237 1 342 . 1 1 35 35 MET HG3 H 1 2.676 0.030 . 2 . . . . 35 MET HG3 . 11237 1 343 . 1 1 35 35 MET C C 13 179.323 0.300 . 1 . . . . 35 MET C . 11237 1 344 . 1 1 35 35 MET CA C 13 58.270 0.300 . 1 . . . . 35 MET CA . 11237 1 345 . 1 1 35 35 MET CB C 13 31.844 0.300 . 1 . . . . 35 MET CB . 11237 1 346 . 1 1 35 35 MET CE C 13 16.898 0.300 . 1 . . . . 35 MET CE . 11237 1 347 . 1 1 35 35 MET CG C 13 32.429 0.300 . 1 . . . . 35 MET CG . 11237 1 348 . 1 1 35 35 MET N N 15 120.187 0.300 . 1 . . . . 35 MET N . 11237 1 349 . 1 1 36 36 CYS H H 1 7.145 0.030 . 1 . . . . 36 CYS H . 11237 1 350 . 1 1 36 36 CYS HA H 1 4.252 0.030 . 1 . . . . 36 CYS HA . 11237 1 351 . 1 1 36 36 CYS HB2 H 1 3.218 0.030 . 2 . . . . 36 CYS HB2 . 11237 1 352 . 1 1 36 36 CYS HB3 H 1 3.140 0.030 . 2 . . . . 36 CYS HB3 . 11237 1 353 . 1 1 36 36 CYS C C 13 175.685 0.300 . 1 . . . . 36 CYS C . 11237 1 354 . 1 1 36 36 CYS CA C 13 63.240 0.300 . 1 . . . . 36 CYS CA . 11237 1 355 . 1 1 36 36 CYS CB C 13 28.955 0.300 . 1 . . . . 36 CYS CB . 11237 1 356 . 1 1 36 36 CYS N N 15 117.712 0.300 . 1 . . . . 36 CYS N . 11237 1 357 . 1 1 37 37 LEU H H 1 7.404 0.030 . 1 . . . . 37 LEU H . 11237 1 358 . 1 1 37 37 LEU HA H 1 4.503 0.030 . 1 . . . . 37 LEU HA . 11237 1 359 . 1 1 37 37 LEU HB2 H 1 1.736 0.030 . 2 . . . . 37 LEU HB2 . 11237 1 360 . 1 1 37 37 LEU HB3 H 1 1.697 0.030 . 2 . . . . 37 LEU HB3 . 11237 1 361 . 1 1 37 37 LEU HD11 H 1 0.659 0.030 . 1 . . . . 37 LEU HD1 . 11237 1 362 . 1 1 37 37 LEU HD12 H 1 0.659 0.030 . 1 . . . . 37 LEU HD1 . 11237 1 363 . 1 1 37 37 LEU HD13 H 1 0.659 0.030 . 1 . . . . 37 LEU HD1 . 11237 1 364 . 1 1 37 37 LEU HD21 H 1 0.832 0.030 . 1 . . . . 37 LEU HD2 . 11237 1 365 . 1 1 37 37 LEU HD22 H 1 0.832 0.030 . 1 . . . . 37 LEU HD2 . 11237 1 366 . 1 1 37 37 LEU HD23 H 1 0.832 0.030 . 1 . . . . 37 LEU HD2 . 11237 1 367 . 1 1 37 37 LEU HG H 1 1.698 0.030 . 1 . . . . 37 LEU HG . 11237 1 368 . 1 1 37 37 LEU C C 13 175.729 0.300 . 1 . . . . 37 LEU C . 11237 1 369 . 1 1 37 37 LEU CA C 13 54.182 0.300 . 1 . . . . 37 LEU CA . 11237 1 370 . 1 1 37 37 LEU CB C 13 43.973 0.300 . 1 . . . . 37 LEU CB . 11237 1 371 . 1 1 37 37 LEU CD1 C 13 26.325 0.300 . 2 . . . . 37 LEU CD1 . 11237 1 372 . 1 1 37 37 LEU CD2 C 13 22.366 0.300 . 2 . . . . 37 LEU CD2 . 11237 1 373 . 1 1 37 37 LEU CG C 13 26.476 0.300 . 1 . . . . 37 LEU CG . 11237 1 374 . 1 1 37 37 LEU N N 15 118.394 0.300 . 1 . . . . 37 LEU N . 11237 1 375 . 1 1 38 38 ASP H H 1 8.004 0.030 . 1 . . . . 38 ASP H . 11237 1 376 . 1 1 38 38 ASP HA H 1 4.346 0.030 . 1 . . . . 38 ASP HA . 11237 1 377 . 1 1 38 38 ASP HB2 H 1 2.559 0.030 . 2 . . . . 38 ASP HB2 . 11237 1 378 . 1 1 38 38 ASP HB3 H 1 3.103 0.030 . 2 . . . . 38 ASP HB3 . 11237 1 379 . 1 1 38 38 ASP C C 13 174.852 0.300 . 1 . . . . 38 ASP C . 11237 1 380 . 1 1 38 38 ASP CA C 13 55.394 0.300 . 1 . . . . 38 ASP CA . 11237 1 381 . 1 1 38 38 ASP CB C 13 40.060 0.300 . 1 . . . . 38 ASP CB . 11237 1 382 . 1 1 38 38 ASP N N 15 118.645 0.300 . 1 . . . . 38 ASP N . 11237 1 383 . 1 1 39 39 ILE H H 1 7.976 0.030 . 1 . . . . 39 ILE H . 11237 1 384 . 1 1 39 39 ILE HA H 1 4.355 0.030 . 1 . . . . 39 ILE HA . 11237 1 385 . 1 1 39 39 ILE HB H 1 1.608 0.030 . 1 . . . . 39 ILE HB . 11237 1 386 . 1 1 39 39 ILE HD11 H 1 0.694 0.030 . 1 . . . . 39 ILE HD1 . 11237 1 387 . 1 1 39 39 ILE HD12 H 1 0.694 0.030 . 1 . . . . 39 ILE HD1 . 11237 1 388 . 1 1 39 39 ILE HD13 H 1 0.694 0.030 . 1 . . . . 39 ILE HD1 . 11237 1 389 . 1 1 39 39 ILE HG12 H 1 1.366 0.030 . 2 . . . . 39 ILE HG12 . 11237 1 390 . 1 1 39 39 ILE HG13 H 1 0.959 0.030 . 2 . . . . 39 ILE HG13 . 11237 1 391 . 1 1 39 39 ILE HG21 H 1 0.855 0.030 . 1 . . . . 39 ILE HG2 . 11237 1 392 . 1 1 39 39 ILE HG22 H 1 0.855 0.030 . 1 . . . . 39 ILE HG2 . 11237 1 393 . 1 1 39 39 ILE HG23 H 1 0.855 0.030 . 1 . . . . 39 ILE HG2 . 11237 1 394 . 1 1 39 39 ILE C C 13 175.004 0.300 . 1 . . . . 39 ILE C . 11237 1 395 . 1 1 39 39 ILE CA C 13 60.398 0.300 . 1 . . . . 39 ILE CA . 11237 1 396 . 1 1 39 39 ILE CB C 13 41.896 0.300 . 1 . . . . 39 ILE CB . 11237 1 397 . 1 1 39 39 ILE CD1 C 13 14.157 0.300 . 1 . . . . 39 ILE CD1 . 11237 1 398 . 1 1 39 39 ILE CG1 C 13 25.964 0.300 . 1 . . . . 39 ILE CG1 . 11237 1 399 . 1 1 39 39 ILE CG2 C 13 17.947 0.300 . 1 . . . . 39 ILE CG2 . 11237 1 400 . 1 1 39 39 ILE N N 15 115.963 0.300 . 1 . . . . 39 ILE N . 11237 1 401 . 1 1 40 40 ALA H H 1 8.502 0.030 . 1 . . . . 40 ALA H . 11237 1 402 . 1 1 40 40 ALA HA H 1 4.351 0.030 . 1 . . . . 40 ALA HA . 11237 1 403 . 1 1 40 40 ALA HB1 H 1 1.305 0.030 . 1 . . . . 40 ALA HB . 11237 1 404 . 1 1 40 40 ALA HB2 H 1 1.305 0.030 . 1 . . . . 40 ALA HB . 11237 1 405 . 1 1 40 40 ALA HB3 H 1 1.305 0.030 . 1 . . . . 40 ALA HB . 11237 1 406 . 1 1 40 40 ALA C C 13 177.657 0.300 . 1 . . . . 40 ALA C . 11237 1 407 . 1 1 40 40 ALA CA C 13 51.769 0.300 . 1 . . . . 40 ALA CA . 11237 1 408 . 1 1 40 40 ALA CB C 13 18.778 0.300 . 1 . . . . 40 ALA CB . 11237 1 409 . 1 1 40 40 ALA N N 15 126.919 0.300 . 1 . . . . 40 ALA N . 11237 1 410 . 1 1 41 41 VAL H H 1 8.427 0.030 . 1 . . . . 41 VAL H . 11237 1 411 . 1 1 41 41 VAL HA H 1 3.770 0.030 . 1 . . . . 41 VAL HA . 11237 1 412 . 1 1 41 41 VAL HB H 1 1.761 0.030 . 1 . . . . 41 VAL HB . 11237 1 413 . 1 1 41 41 VAL HG11 H 1 0.490 0.030 . 1 . . . . 41 VAL HG1 . 11237 1 414 . 1 1 41 41 VAL HG12 H 1 0.490 0.030 . 1 . . . . 41 VAL HG1 . 11237 1 415 . 1 1 41 41 VAL HG13 H 1 0.490 0.030 . 1 . . . . 41 VAL HG1 . 11237 1 416 . 1 1 41 41 VAL HG21 H 1 0.489 0.030 . 1 . . . . 41 VAL HG2 . 11237 1 417 . 1 1 41 41 VAL HG22 H 1 0.489 0.030 . 1 . . . . 41 VAL HG2 . 11237 1 418 . 1 1 41 41 VAL HG23 H 1 0.489 0.030 . 1 . . . . 41 VAL HG2 . 11237 1 419 . 1 1 41 41 VAL C C 13 175.809 0.300 . 1 . . . . 41 VAL C . 11237 1 420 . 1 1 41 41 VAL CA C 13 62.880 0.300 . 1 . . . . 41 VAL CA . 11237 1 421 . 1 1 41 41 VAL CB C 13 32.329 0.300 . 1 . . . . 41 VAL CB . 11237 1 422 . 1 1 41 41 VAL CG1 C 13 20.954 0.300 . 2 . . . . 41 VAL CG1 . 11237 1 423 . 1 1 41 41 VAL CG2 C 13 20.910 0.300 . 2 . . . . 41 VAL CG2 . 11237 1 424 . 1 1 41 41 VAL N N 15 122.776 0.300 . 1 . . . . 41 VAL N . 11237 1 425 . 1 1 42 42 THR H H 1 7.201 0.030 . 1 . . . . 42 THR H . 11237 1 426 . 1 1 42 42 THR HA H 1 4.797 0.030 . 1 . . . . 42 THR HA . 11237 1 427 . 1 1 42 42 THR HB H 1 4.541 0.030 . 1 . . . . 42 THR HB . 11237 1 428 . 1 1 42 42 THR HG21 H 1 1.226 0.030 . 1 . . . . 42 THR HG2 . 11237 1 429 . 1 1 42 42 THR HG22 H 1 1.226 0.030 . 1 . . . . 42 THR HG2 . 11237 1 430 . 1 1 42 42 THR HG23 H 1 1.226 0.030 . 1 . . . . 42 THR HG2 . 11237 1 431 . 1 1 42 42 THR C C 13 173.151 0.300 . 1 . . . . 42 THR C . 11237 1 432 . 1 1 42 42 THR CA C 13 58.869 0.300 . 1 . . . . 42 THR CA . 11237 1 433 . 1 1 42 42 THR CB C 13 69.609 0.300 . 1 . . . . 42 THR CB . 11237 1 434 . 1 1 42 42 THR CG2 C 13 21.940 0.300 . 1 . . . . 42 THR CG2 . 11237 1 435 . 1 1 42 42 THR N N 15 117.549 0.300 . 1 . . . . 42 THR N . 11237 1 436 . 1 1 43 43 PRO HA H 1 4.128 0.030 . 1 . . . . 43 PRO HA . 11237 1 437 . 1 1 43 43 PRO HB2 H 1 2.363 0.030 . 2 . . . . 43 PRO HB2 . 11237 1 438 . 1 1 43 43 PRO HB3 H 1 1.923 0.030 . 2 . . . . 43 PRO HB3 . 11237 1 439 . 1 1 43 43 PRO HD2 H 1 3.866 0.030 . 1 . . . . 43 PRO HD2 . 11237 1 440 . 1 1 43 43 PRO HD3 H 1 3.866 0.030 . 1 . . . . 43 PRO HD3 . 11237 1 441 . 1 1 43 43 PRO HG2 H 1 1.938 0.030 . 2 . . . . 43 PRO HG2 . 11237 1 442 . 1 1 43 43 PRO HG3 H 1 2.096 0.030 . 2 . . . . 43 PRO HG3 . 11237 1 443 . 1 1 43 43 PRO C C 13 178.694 0.300 . 1 . . . . 43 PRO C . 11237 1 444 . 1 1 43 43 PRO CA C 13 65.425 0.300 . 1 . . . . 43 PRO CA . 11237 1 445 . 1 1 43 43 PRO CB C 13 32.021 0.300 . 1 . . . . 43 PRO CB . 11237 1 446 . 1 1 43 43 PRO CD C 13 50.686 0.300 . 1 . . . . 43 PRO CD . 11237 1 447 . 1 1 43 43 PRO CG C 13 27.594 0.300 . 1 . . . . 43 PRO CG . 11237 1 448 . 1 1 44 44 LEU H H 1 7.940 0.030 . 1 . . . . 44 LEU H . 11237 1 449 . 1 1 44 44 LEU HA H 1 4.209 0.030 . 1 . . . . 44 LEU HA . 11237 1 450 . 1 1 44 44 LEU HB2 H 1 1.568 0.030 . 2 . . . . 44 LEU HB2 . 11237 1 451 . 1 1 44 44 LEU HB3 H 1 1.655 0.030 . 2 . . . . 44 LEU HB3 . 11237 1 452 . 1 1 44 44 LEU HD11 H 1 0.869 0.030 . 1 . . . . 44 LEU HD1 . 11237 1 453 . 1 1 44 44 LEU HD12 H 1 0.869 0.030 . 1 . . . . 44 LEU HD1 . 11237 1 454 . 1 1 44 44 LEU HD13 H 1 0.869 0.030 . 1 . . . . 44 LEU HD1 . 11237 1 455 . 1 1 44 44 LEU HD21 H 1 0.935 0.030 . 1 . . . . 44 LEU HD2 . 11237 1 456 . 1 1 44 44 LEU HD22 H 1 0.935 0.030 . 1 . . . . 44 LEU HD2 . 11237 1 457 . 1 1 44 44 LEU HD23 H 1 0.935 0.030 . 1 . . . . 44 LEU HD2 . 11237 1 458 . 1 1 44 44 LEU HG H 1 1.549 0.030 . 1 . . . . 44 LEU HG . 11237 1 459 . 1 1 44 44 LEU C C 13 178.415 0.300 . 1 . . . . 44 LEU C . 11237 1 460 . 1 1 44 44 LEU CA C 13 57.160 0.300 . 1 . . . . 44 LEU CA . 11237 1 461 . 1 1 44 44 LEU CB C 13 42.373 0.300 . 1 . . . . 44 LEU CB . 11237 1 462 . 1 1 44 44 LEU CD1 C 13 25.096 0.300 . 2 . . . . 44 LEU CD1 . 11237 1 463 . 1 1 44 44 LEU CD2 C 13 23.917 0.300 . 2 . . . . 44 LEU CD2 . 11237 1 464 . 1 1 44 44 LEU CG C 13 27.273 0.300 . 1 . . . . 44 LEU CG . 11237 1 465 . 1 1 44 44 LEU N N 15 117.747 0.300 . 1 . . . . 44 LEU N . 11237 1 466 . 1 1 45 45 LYS H H 1 7.531 0.030 . 1 . . . . 45 LYS H . 11237 1 467 . 1 1 45 45 LYS HA H 1 4.351 0.030 . 1 . . . . 45 LYS HA . 11237 1 468 . 1 1 45 45 LYS HB2 H 1 1.922 0.030 . 2 . . . . 45 LYS HB2 . 11237 1 469 . 1 1 45 45 LYS HB3 H 1 1.810 0.030 . 2 . . . . 45 LYS HB3 . 11237 1 470 . 1 1 45 45 LYS HD2 H 1 1.621 0.030 . 2 . . . . 45 LYS HD2 . 11237 1 471 . 1 1 45 45 LYS HD3 H 1 1.920 0.030 . 2 . . . . 45 LYS HD3 . 11237 1 472 . 1 1 45 45 LYS HE2 H 1 2.923 0.030 . 2 . . . . 45 LYS HE2 . 11237 1 473 . 1 1 45 45 LYS HE3 H 1 3.028 0.030 . 2 . . . . 45 LYS HE3 . 11237 1 474 . 1 1 45 45 LYS HG2 H 1 1.140 0.030 . 2 . . . . 45 LYS HG2 . 11237 1 475 . 1 1 45 45 LYS HG3 H 1 1.607 0.030 . 2 . . . . 45 LYS HG3 . 11237 1 476 . 1 1 45 45 LYS C C 13 177.732 0.300 . 1 . . . . 45 LYS C . 11237 1 477 . 1 1 45 45 LYS CA C 13 57.561 0.300 . 1 . . . . 45 LYS CA . 11237 1 478 . 1 1 45 45 LYS CB C 13 34.695 0.300 . 1 . . . . 45 LYS CB . 11237 1 479 . 1 1 45 45 LYS CD C 13 30.151 0.300 . 1 . . . . 45 LYS CD . 11237 1 480 . 1 1 45 45 LYS CE C 13 42.476 0.300 . 1 . . . . 45 LYS CE . 11237 1 481 . 1 1 45 45 LYS CG C 13 26.253 0.300 . 1 . . . . 45 LYS CG . 11237 1 482 . 1 1 45 45 LYS N N 15 116.050 0.300 . 1 . . . . 45 LYS N . 11237 1 483 . 1 1 46 46 ARG H H 1 7.757 0.030 . 1 . . . . 46 ARG H . 11237 1 484 . 1 1 46 46 ARG HA H 1 3.977 0.030 . 1 . . . . 46 ARG HA . 11237 1 485 . 1 1 46 46 ARG HB2 H 1 1.864 0.030 . 2 . . . . 46 ARG HB2 . 11237 1 486 . 1 1 46 46 ARG HB3 H 1 1.766 0.030 . 2 . . . . 46 ARG HB3 . 11237 1 487 . 1 1 46 46 ARG HD2 H 1 2.811 0.030 . 2 . . . . 46 ARG HD2 . 11237 1 488 . 1 1 46 46 ARG HD3 H 1 2.907 0.030 . 2 . . . . 46 ARG HD3 . 11237 1 489 . 1 1 46 46 ARG HG2 H 1 1.589 0.030 . 2 . . . . 46 ARG HG2 . 11237 1 490 . 1 1 46 46 ARG HG3 H 1 1.251 0.030 . 2 . . . . 46 ARG HG3 . 11237 1 491 . 1 1 46 46 ARG C C 13 177.592 0.300 . 1 . . . . 46 ARG C . 11237 1 492 . 1 1 46 46 ARG CA C 13 59.013 0.300 . 1 . . . . 46 ARG CA . 11237 1 493 . 1 1 46 46 ARG CB C 13 31.315 0.300 . 1 . . . . 46 ARG CB . 11237 1 494 . 1 1 46 46 ARG CD C 13 43.521 0.300 . 1 . . . . 46 ARG CD . 11237 1 495 . 1 1 46 46 ARG CG C 13 28.350 0.300 . 1 . . . . 46 ARG CG . 11237 1 496 . 1 1 46 46 ARG N N 15 115.929 0.300 . 1 . . . . 46 ARG N . 11237 1 497 . 1 1 47 47 ALA H H 1 7.439 0.030 . 1 . . . . 47 ALA H . 11237 1 498 . 1 1 47 47 ALA HA H 1 4.361 0.030 . 1 . . . . 47 ALA HA . 11237 1 499 . 1 1 47 47 ALA HB1 H 1 1.457 0.030 . 1 . . . . 47 ALA HB . 11237 1 500 . 1 1 47 47 ALA HB2 H 1 1.457 0.030 . 1 . . . . 47 ALA HB . 11237 1 501 . 1 1 47 47 ALA HB3 H 1 1.457 0.030 . 1 . . . . 47 ALA HB . 11237 1 502 . 1 1 47 47 ALA C C 13 177.672 0.300 . 1 . . . . 47 ALA C . 11237 1 503 . 1 1 47 47 ALA CA C 13 53.226 0.300 . 1 . . . . 47 ALA CA . 11237 1 504 . 1 1 47 47 ALA CB C 13 17.785 0.300 . 1 . . . . 47 ALA CB . 11237 1 505 . 1 1 47 47 ALA N N 15 122.508 0.300 . 1 . . . . 47 ALA N . 11237 1 506 . 1 1 48 48 GLY H H 1 9.043 0.030 . 1 . . . . 48 GLY H . 11237 1 507 . 1 1 48 48 GLY HA2 H 1 3.945 0.030 . 1 . . . . 48 GLY HA2 . 11237 1 508 . 1 1 48 48 GLY HA3 H 1 3.945 0.030 . 1 . . . . 48 GLY HA3 . 11237 1 509 . 1 1 48 48 GLY C C 13 174.477 0.300 . 1 . . . . 48 GLY C . 11237 1 510 . 1 1 48 48 GLY CA C 13 46.243 0.300 . 1 . . . . 48 GLY CA . 11237 1 511 . 1 1 48 48 GLY N N 15 113.030 0.300 . 1 . . . . 48 GLY N . 11237 1 512 . 1 1 49 49 TRP H H 1 7.737 0.030 . 1 . . . . 49 TRP H . 11237 1 513 . 1 1 49 49 TRP HA H 1 4.161 0.030 . 1 . . . . 49 TRP HA . 11237 1 514 . 1 1 49 49 TRP HB2 H 1 3.774 0.030 . 2 . . . . 49 TRP HB2 . 11237 1 515 . 1 1 49 49 TRP HB3 H 1 3.199 0.030 . 2 . . . . 49 TRP HB3 . 11237 1 516 . 1 1 49 49 TRP HD1 H 1 7.250 0.030 . 1 . . . . 49 TRP HD1 . 11237 1 517 . 1 1 49 49 TRP HE1 H 1 9.878 0.030 . 1 . . . . 49 TRP HE1 . 11237 1 518 . 1 1 49 49 TRP HE3 H 1 7.217 0.030 . 1 . . . . 49 TRP HE3 . 11237 1 519 . 1 1 49 49 TRP HH2 H 1 6.149 0.030 . 1 . . . . 49 TRP HH2 . 11237 1 520 . 1 1 49 49 TRP HZ2 H 1 6.740 0.030 . 1 . . . . 49 TRP HZ2 . 11237 1 521 . 1 1 49 49 TRP HZ3 H 1 6.675 0.030 . 1 . . . . 49 TRP HZ3 . 11237 1 522 . 1 1 49 49 TRP C C 13 175.580 0.300 . 1 . . . . 49 TRP C . 11237 1 523 . 1 1 49 49 TRP CA C 13 61.179 0.300 . 1 . . . . 49 TRP CA . 11237 1 524 . 1 1 49 49 TRP CB C 13 28.535 0.300 . 1 . . . . 49 TRP CB . 11237 1 525 . 1 1 49 49 TRP CD1 C 13 127.445 0.300 . 1 . . . . 49 TRP CD1 . 11237 1 526 . 1 1 49 49 TRP CE3 C 13 120.044 0.300 . 1 . . . . 49 TRP CE3 . 11237 1 527 . 1 1 49 49 TRP CH2 C 13 122.207 0.300 . 1 . . . . 49 TRP CH2 . 11237 1 528 . 1 1 49 49 TRP CZ2 C 13 114.553 0.300 . 1 . . . . 49 TRP CZ2 . 11237 1 529 . 1 1 49 49 TRP CZ3 C 13 120.169 0.300 . 1 . . . . 49 TRP CZ3 . 11237 1 530 . 1 1 49 49 TRP N N 15 121.305 0.300 . 1 . . . . 49 TRP N . 11237 1 531 . 1 1 49 49 TRP NE1 N 15 131.907 0.300 . 1 . . . . 49 TRP NE1 . 11237 1 532 . 1 1 50 50 GLN H H 1 7.367 0.030 . 1 . . . . 50 GLN H . 11237 1 533 . 1 1 50 50 GLN HA H 1 5.156 0.030 . 1 . . . . 50 GLN HA . 11237 1 534 . 1 1 50 50 GLN HB2 H 1 1.455 0.030 . 2 . . . . 50 GLN HB2 . 11237 1 535 . 1 1 50 50 GLN HB3 H 1 1.287 0.030 . 2 . . . . 50 GLN HB3 . 11237 1 536 . 1 1 50 50 GLN HE21 H 1 7.686 0.030 . 2 . . . . 50 GLN HE21 . 11237 1 537 . 1 1 50 50 GLN HE22 H 1 6.070 0.030 . 2 . . . . 50 GLN HE22 . 11237 1 538 . 1 1 50 50 GLN HG2 H 1 2.169 0.030 . 2 . . . . 50 GLN HG2 . 11237 1 539 . 1 1 50 50 GLN HG3 H 1 2.128 0.030 . 2 . . . . 50 GLN HG3 . 11237 1 540 . 1 1 50 50 GLN C C 13 172.721 0.300 . 1 . . . . 50 GLN C . 11237 1 541 . 1 1 50 50 GLN CA C 13 52.726 0.300 . 1 . . . . 50 GLN CA . 11237 1 542 . 1 1 50 50 GLN CB C 13 33.565 0.300 . 1 . . . . 50 GLN CB . 11237 1 543 . 1 1 50 50 GLN CG C 13 34.132 0.300 . 1 . . . . 50 GLN CG . 11237 1 544 . 1 1 50 50 GLN N N 15 124.798 0.300 . 1 . . . . 50 GLN N . 11237 1 545 . 1 1 50 50 GLN NE2 N 15 113.536 0.300 . 1 . . . . 50 GLN NE2 . 11237 1 546 . 1 1 51 51 CYS H H 1 8.846 0.030 . 1 . . . . 51 CYS H . 11237 1 547 . 1 1 51 51 CYS HA H 1 3.323 0.030 . 1 . . . . 51 CYS HA . 11237 1 548 . 1 1 51 51 CYS HB2 H 1 2.784 0.030 . 2 . . . . 51 CYS HB2 . 11237 1 549 . 1 1 51 51 CYS HB3 H 1 2.345 0.030 . 2 . . . . 51 CYS HB3 . 11237 1 550 . 1 1 51 51 CYS C C 13 172.858 0.300 . 1 . . . . 51 CYS C . 11237 1 551 . 1 1 51 51 CYS CA C 13 56.645 0.300 . 1 . . . . 51 CYS CA . 11237 1 552 . 1 1 51 51 CYS CB C 13 29.830 0.300 . 1 . . . . 51 CYS CB . 11237 1 553 . 1 1 51 51 CYS N N 15 125.676 0.300 . 1 . . . . 51 CYS N . 11237 1 554 . 1 1 52 52 PRO HA H 1 3.885 0.030 . 1 . . . . 52 PRO HA . 11237 1 555 . 1 1 52 52 PRO HB2 H 1 1.801 0.030 . 2 . . . . 52 PRO HB2 . 11237 1 556 . 1 1 52 52 PRO HB3 H 1 2.304 0.030 . 2 . . . . 52 PRO HB3 . 11237 1 557 . 1 1 52 52 PRO HD2 H 1 3.231 0.030 . 2 . . . . 52 PRO HD2 . 11237 1 558 . 1 1 52 52 PRO HD3 H 1 3.193 0.030 . 2 . . . . 52 PRO HD3 . 11237 1 559 . 1 1 52 52 PRO HG2 H 1 2.001 0.030 . 2 . . . . 52 PRO HG2 . 11237 1 560 . 1 1 52 52 PRO HG3 H 1 1.893 0.030 . 2 . . . . 52 PRO HG3 . 11237 1 561 . 1 1 52 52 PRO C C 13 178.229 0.300 . 1 . . . . 52 PRO C . 11237 1 562 . 1 1 52 52 PRO CA C 13 65.660 0.300 . 1 . . . . 52 PRO CA . 11237 1 563 . 1 1 52 52 PRO CB C 13 32.023 0.300 . 1 . . . . 52 PRO CB . 11237 1 564 . 1 1 52 52 PRO CD C 13 49.647 0.300 . 1 . . . . 52 PRO CD . 11237 1 565 . 1 1 52 52 PRO CG C 13 27.829 0.300 . 1 . . . . 52 PRO CG . 11237 1 566 . 1 1 53 53 GLU H H 1 8.000 0.030 . 1 . . . . 53 GLU H . 11237 1 567 . 1 1 53 53 GLU HA H 1 4.093 0.030 . 1 . . . . 53 GLU HA . 11237 1 568 . 1 1 53 53 GLU HB2 H 1 2.038 0.030 . 1 . . . . 53 GLU HB2 . 11237 1 569 . 1 1 53 53 GLU HB3 H 1 2.038 0.030 . 1 . . . . 53 GLU HB3 . 11237 1 570 . 1 1 53 53 GLU HG2 H 1 2.333 0.030 . 2 . . . . 53 GLU HG2 . 11237 1 571 . 1 1 53 53 GLU HG3 H 1 2.237 0.030 . 2 . . . . 53 GLU HG3 . 11237 1 572 . 1 1 53 53 GLU C C 13 177.868 0.300 . 1 . . . . 53 GLU C . 11237 1 573 . 1 1 53 53 GLU CA C 13 58.175 0.300 . 1 . . . . 53 GLU CA . 11237 1 574 . 1 1 53 53 GLU CB C 13 30.285 0.300 . 1 . . . . 53 GLU CB . 11237 1 575 . 1 1 53 53 GLU CG C 13 36.807 0.300 . 1 . . . . 53 GLU CG . 11237 1 576 . 1 1 53 53 GLU N N 15 115.624 0.300 . 1 . . . . 53 GLU N . 11237 1 577 . 1 1 54 54 CYS H H 1 7.680 0.030 . 1 . . . . 54 CYS H . 11237 1 578 . 1 1 54 54 CYS HA H 1 3.924 0.030 . 1 . . . . 54 CYS HA . 11237 1 579 . 1 1 54 54 CYS HB2 H 1 2.744 0.030 . 2 . . . . 54 CYS HB2 . 11237 1 580 . 1 1 54 54 CYS HB3 H 1 2.515 0.030 . 2 . . . . 54 CYS HB3 . 11237 1 581 . 1 1 54 54 CYS C C 13 175.520 0.300 . 1 . . . . 54 CYS C . 11237 1 582 . 1 1 54 54 CYS CA C 13 61.293 0.300 . 1 . . . . 54 CYS CA . 11237 1 583 . 1 1 54 54 CYS CB C 13 31.749 0.300 . 1 . . . . 54 CYS CB . 11237 1 584 . 1 1 54 54 CYS N N 15 120.863 0.300 . 1 . . . . 54 CYS N . 11237 1 585 . 1 1 55 55 LYS H H 1 7.378 0.030 . 1 . . . . 55 LYS H . 11237 1 586 . 1 1 55 55 LYS HA H 1 3.451 0.030 . 1 . . . . 55 LYS HA . 11237 1 587 . 1 1 55 55 LYS HB2 H 1 1.386 0.030 . 2 . . . . 55 LYS HB2 . 11237 1 588 . 1 1 55 55 LYS HB3 H 1 1.345 0.030 . 2 . . . . 55 LYS HB3 . 11237 1 589 . 1 1 55 55 LYS HD2 H 1 1.430 0.030 . 2 . . . . 55 LYS HD2 . 11237 1 590 . 1 1 55 55 LYS HD3 H 1 1.382 0.030 . 2 . . . . 55 LYS HD3 . 11237 1 591 . 1 1 55 55 LYS HE2 H 1 2.547 0.030 . 2 . . . . 55 LYS HE2 . 11237 1 592 . 1 1 55 55 LYS HE3 H 1 2.779 0.030 . 2 . . . . 55 LYS HE3 . 11237 1 593 . 1 1 55 55 LYS HG2 H 1 1.137 0.030 . 2 . . . . 55 LYS HG2 . 11237 1 594 . 1 1 55 55 LYS HG3 H 1 1.046 0.030 . 2 . . . . 55 LYS HG3 . 11237 1 595 . 1 1 55 55 LYS C C 13 175.788 0.300 . 1 . . . . 55 LYS C . 11237 1 596 . 1 1 55 55 LYS CA C 13 57.908 0.300 . 1 . . . . 55 LYS CA . 11237 1 597 . 1 1 55 55 LYS CB C 13 32.065 0.300 . 1 . . . . 55 LYS CB . 11237 1 598 . 1 1 55 55 LYS CD C 13 29.072 0.300 . 1 . . . . 55 LYS CD . 11237 1 599 . 1 1 55 55 LYS CE C 13 41.851 0.300 . 1 . . . . 55 LYS CE . 11237 1 600 . 1 1 55 55 LYS CG C 13 24.398 0.300 . 1 . . . . 55 LYS CG . 11237 1 601 . 1 1 55 55 LYS N N 15 118.897 0.300 . 1 . . . . 55 LYS N . 11237 1 602 . 1 1 56 56 VAL H H 1 7.137 0.030 . 1 . . . . 56 VAL H . 11237 1 603 . 1 1 56 56 VAL HA H 1 4.115 0.030 . 1 . . . . 56 VAL HA . 11237 1 604 . 1 1 56 56 VAL HB H 1 1.518 0.030 . 1 . . . . 56 VAL HB . 11237 1 605 . 1 1 56 56 VAL HG11 H 1 0.615 0.030 . 1 . . . . 56 VAL HG1 . 11237 1 606 . 1 1 56 56 VAL HG12 H 1 0.615 0.030 . 1 . . . . 56 VAL HG1 . 11237 1 607 . 1 1 56 56 VAL HG13 H 1 0.615 0.030 . 1 . . . . 56 VAL HG1 . 11237 1 608 . 1 1 56 56 VAL HG21 H 1 0.697 0.030 . 1 . . . . 56 VAL HG2 . 11237 1 609 . 1 1 56 56 VAL HG22 H 1 0.697 0.030 . 1 . . . . 56 VAL HG2 . 11237 1 610 . 1 1 56 56 VAL HG23 H 1 0.697 0.030 . 1 . . . . 56 VAL HG2 . 11237 1 611 . 1 1 56 56 VAL C C 13 174.322 0.300 . 1 . . . . 56 VAL C . 11237 1 612 . 1 1 56 56 VAL CA C 13 58.440 0.300 . 1 . . . . 56 VAL CA . 11237 1 613 . 1 1 56 56 VAL CB C 13 34.994 0.300 . 1 . . . . 56 VAL CB . 11237 1 614 . 1 1 56 56 VAL CG1 C 13 18.564 0.300 . 2 . . . . 56 VAL CG1 . 11237 1 615 . 1 1 56 56 VAL CG2 C 13 21.311 0.300 . 2 . . . . 56 VAL CG2 . 11237 1 616 . 1 1 56 56 VAL N N 15 116.806 0.300 . 1 . . . . 56 VAL N . 11237 1 617 . 1 1 57 57 CYS H H 1 7.801 0.030 . 1 . . . . 57 CYS H . 11237 1 618 . 1 1 57 57 CYS HA H 1 3.933 0.030 . 1 . . . . 57 CYS HA . 11237 1 619 . 1 1 57 57 CYS HB2 H 1 3.230 0.030 . 2 . . . . 57 CYS HB2 . 11237 1 620 . 1 1 57 57 CYS HB3 H 1 1.644 0.030 . 2 . . . . 57 CYS HB3 . 11237 1 621 . 1 1 57 57 CYS C C 13 178.122 0.300 . 1 . . . . 57 CYS C . 11237 1 622 . 1 1 57 57 CYS CA C 13 57.283 0.300 . 1 . . . . 57 CYS CA . 11237 1 623 . 1 1 57 57 CYS CB C 13 31.616 0.300 . 1 . . . . 57 CYS CB . 11237 1 624 . 1 1 57 57 CYS N N 15 124.716 0.300 . 1 . . . . 57 CYS N . 11237 1 625 . 1 1 58 58 GLN H H 1 8.527 0.030 . 1 . . . . 58 GLN H . 11237 1 626 . 1 1 58 58 GLN HA H 1 3.709 0.030 . 1 . . . . 58 GLN HA . 11237 1 627 . 1 1 58 58 GLN HB2 H 1 2.028 0.030 . 2 . . . . 58 GLN HB2 . 11237 1 628 . 1 1 58 58 GLN HB3 H 1 1.331 0.030 . 2 . . . . 58 GLN HB3 . 11237 1 629 . 1 1 58 58 GLN HE21 H 1 7.653 0.030 . 2 . . . . 58 GLN HE21 . 11237 1 630 . 1 1 58 58 GLN HE22 H 1 7.244 0.030 . 2 . . . . 58 GLN HE22 . 11237 1 631 . 1 1 58 58 GLN HG2 H 1 2.499 0.030 . 2 . . . . 58 GLN HG2 . 11237 1 632 . 1 1 58 58 GLN HG3 H 1 2.064 0.030 . 2 . . . . 58 GLN HG3 . 11237 1 633 . 1 1 58 58 GLN C C 13 176.094 0.300 . 1 . . . . 58 GLN C . 11237 1 634 . 1 1 58 58 GLN CA C 13 56.807 0.300 . 1 . . . . 58 GLN CA . 11237 1 635 . 1 1 58 58 GLN CB C 13 29.023 0.300 . 1 . . . . 58 GLN CB . 11237 1 636 . 1 1 58 58 GLN CG C 13 34.604 0.300 . 1 . . . . 58 GLN CG . 11237 1 637 . 1 1 58 58 GLN N N 15 125.856 0.300 . 1 . . . . 58 GLN N . 11237 1 638 . 1 1 58 58 GLN NE2 N 15 117.299 0.300 . 1 . . . . 58 GLN NE2 . 11237 1 639 . 1 1 59 59 ASN H H 1 8.838 0.030 . 1 . . . . 59 ASN H . 11237 1 640 . 1 1 59 59 ASN HA H 1 5.089 0.030 . 1 . . . . 59 ASN HA . 11237 1 641 . 1 1 59 59 ASN HB2 H 1 3.218 0.030 . 2 . . . . 59 ASN HB2 . 11237 1 642 . 1 1 59 59 ASN HB3 H 1 2.793 0.030 . 2 . . . . 59 ASN HB3 . 11237 1 643 . 1 1 59 59 ASN HD21 H 1 7.309 0.030 . 2 . . . . 59 ASN HD21 . 11237 1 644 . 1 1 59 59 ASN HD22 H 1 7.549 0.030 . 2 . . . . 59 ASN HD22 . 11237 1 645 . 1 1 59 59 ASN C C 13 175.666 0.300 . 1 . . . . 59 ASN C . 11237 1 646 . 1 1 59 59 ASN CA C 13 54.637 0.300 . 1 . . . . 59 ASN CA . 11237 1 647 . 1 1 59 59 ASN CB C 13 39.418 0.300 . 1 . . . . 59 ASN CB . 11237 1 648 . 1 1 59 59 ASN N N 15 119.401 0.300 . 1 . . . . 59 ASN N . 11237 1 649 . 1 1 59 59 ASN ND2 N 15 109.994 0.300 . 1 . . . . 59 ASN ND2 . 11237 1 650 . 1 1 60 60 CYS H H 1 8.248 0.030 . 1 . . . . 60 CYS H . 11237 1 651 . 1 1 60 60 CYS HA H 1 4.921 0.030 . 1 . . . . 60 CYS HA . 11237 1 652 . 1 1 60 60 CYS HB2 H 1 3.312 0.030 . 2 . . . . 60 CYS HB2 . 11237 1 653 . 1 1 60 60 CYS HB3 H 1 3.199 0.030 . 2 . . . . 60 CYS HB3 . 11237 1 654 . 1 1 60 60 CYS C C 13 175.921 0.300 . 1 . . . . 60 CYS C . 11237 1 655 . 1 1 60 60 CYS CA C 13 59.167 0.300 . 1 . . . . 60 CYS CA . 11237 1 656 . 1 1 60 60 CYS CB C 13 31.050 0.300 . 1 . . . . 60 CYS CB . 11237 1 657 . 1 1 60 60 CYS N N 15 119.031 0.300 . 1 . . . . 60 CYS N . 11237 1 658 . 1 1 61 61 LYS H H 1 7.932 0.030 . 1 . . . . 61 LYS H . 11237 1 659 . 1 1 61 61 LYS HA H 1 4.008 0.030 . 1 . . . . 61 LYS HA . 11237 1 660 . 1 1 61 61 LYS HB2 H 1 2.168 0.030 . 2 . . . . 61 LYS HB2 . 11237 1 661 . 1 1 61 61 LYS HB3 H 1 1.969 0.030 . 2 . . . . 61 LYS HB3 . 11237 1 662 . 1 1 61 61 LYS HD2 H 1 1.595 0.030 . 2 . . . . 61 LYS HD2 . 11237 1 663 . 1 1 61 61 LYS HD3 H 1 1.482 0.030 . 2 . . . . 61 LYS HD3 . 11237 1 664 . 1 1 61 61 LYS HE2 H 1 2.953 0.030 . 1 . . . . 61 LYS HE2 . 11237 1 665 . 1 1 61 61 LYS HE3 H 1 2.953 0.030 . 1 . . . . 61 LYS HE3 . 11237 1 666 . 1 1 61 61 LYS HG2 H 1 1.329 0.030 . 2 . . . . 61 LYS HG2 . 11237 1 667 . 1 1 61 61 LYS HG3 H 1 1.180 0.030 . 2 . . . . 61 LYS HG3 . 11237 1 668 . 1 1 61 61 LYS C C 13 174.958 0.300 . 1 . . . . 61 LYS C . 11237 1 669 . 1 1 61 61 LYS CA C 13 56.814 0.300 . 1 . . . . 61 LYS CA . 11237 1 670 . 1 1 61 61 LYS CB C 13 28.564 0.300 . 1 . . . . 61 LYS CB . 11237 1 671 . 1 1 61 61 LYS CD C 13 28.273 0.300 . 1 . . . . 61 LYS CD . 11237 1 672 . 1 1 61 61 LYS CE C 13 42.506 0.300 . 1 . . . . 61 LYS CE . 11237 1 673 . 1 1 61 61 LYS CG C 13 24.773 0.300 . 1 . . . . 61 LYS CG . 11237 1 674 . 1 1 61 61 LYS N N 15 117.286 0.300 . 1 . . . . 61 LYS N . 11237 1 675 . 1 1 62 62 GLN H H 1 8.434 0.030 . 1 . . . . 62 GLN H . 11237 1 676 . 1 1 62 62 GLN HA H 1 4.829 0.030 . 1 . . . . 62 GLN HA . 11237 1 677 . 1 1 62 62 GLN HB2 H 1 2.334 0.030 . 1 . . . . 62 GLN HB2 . 11237 1 678 . 1 1 62 62 GLN HB3 H 1 2.334 0.030 . 1 . . . . 62 GLN HB3 . 11237 1 679 . 1 1 62 62 GLN HE21 H 1 7.443 0.030 . 2 . . . . 62 GLN HE21 . 11237 1 680 . 1 1 62 62 GLN HE22 H 1 6.917 0.030 . 2 . . . . 62 GLN HE22 . 11237 1 681 . 1 1 62 62 GLN HG2 H 1 2.461 0.030 . 1 . . . . 62 GLN HG2 . 11237 1 682 . 1 1 62 62 GLN HG3 H 1 2.461 0.030 . 1 . . . . 62 GLN HG3 . 11237 1 683 . 1 1 62 62 GLN C C 13 176.327 0.300 . 1 . . . . 62 GLN C . 11237 1 684 . 1 1 62 62 GLN CA C 13 54.163 0.300 . 1 . . . . 62 GLN CA . 11237 1 685 . 1 1 62 62 GLN CB C 13 31.273 0.300 . 1 . . . . 62 GLN CB . 11237 1 686 . 1 1 62 62 GLN CG C 13 33.704 0.300 . 1 . . . . 62 GLN CG . 11237 1 687 . 1 1 62 62 GLN N N 15 117.908 0.300 . 1 . . . . 62 GLN N . 11237 1 688 . 1 1 62 62 GLN NE2 N 15 113.109 0.300 . 1 . . . . 62 GLN NE2 . 11237 1 689 . 1 1 63 63 SER H H 1 8.663 0.030 . 1 . . . . 63 SER H . 11237 1 690 . 1 1 63 63 SER HA H 1 4.583 0.030 . 1 . . . . 63 SER HA . 11237 1 691 . 1 1 63 63 SER HB2 H 1 3.979 0.030 . 2 . . . . 63 SER HB2 . 11237 1 692 . 1 1 63 63 SER HB3 H 1 3.790 0.030 . 2 . . . . 63 SER HB3 . 11237 1 693 . 1 1 63 63 SER C C 13 174.892 0.300 . 1 . . . . 63 SER C . 11237 1 694 . 1 1 63 63 SER CA C 13 57.650 0.300 . 1 . . . . 63 SER CA . 11237 1 695 . 1 1 63 63 SER CB C 13 63.976 0.300 . 1 . . . . 63 SER CB . 11237 1 696 . 1 1 63 63 SER N N 15 117.105 0.300 . 1 . . . . 63 SER N . 11237 1 697 . 1 1 64 64 GLY H H 1 8.643 0.030 . 1 . . . . 64 GLY H . 11237 1 698 . 1 1 64 64 GLY HA2 H 1 4.010 0.030 . 2 . . . . 64 GLY HA2 . 11237 1 699 . 1 1 64 64 GLY HA3 H 1 4.223 0.030 . 2 . . . . 64 GLY HA3 . 11237 1 700 . 1 1 64 64 GLY C C 13 173.704 0.300 . 1 . . . . 64 GLY C . 11237 1 701 . 1 1 64 64 GLY CA C 13 44.807 0.300 . 1 . . . . 64 GLY CA . 11237 1 702 . 1 1 64 64 GLY N N 15 109.704 0.300 . 1 . . . . 64 GLY N . 11237 1 703 . 1 1 65 65 GLU H H 1 8.675 0.030 . 1 . . . . 65 GLU H . 11237 1 704 . 1 1 65 65 GLU HA H 1 4.148 0.030 . 1 . . . . 65 GLU HA . 11237 1 705 . 1 1 65 65 GLU HB2 H 1 2.175 0.030 . 2 . . . . 65 GLU HB2 . 11237 1 706 . 1 1 65 65 GLU HB3 H 1 1.951 0.030 . 2 . . . . 65 GLU HB3 . 11237 1 707 . 1 1 65 65 GLU HG2 H 1 2.216 0.030 . 1 . . . . 65 GLU HG2 . 11237 1 708 . 1 1 65 65 GLU HG3 H 1 2.216 0.030 . 1 . . . . 65 GLU HG3 . 11237 1 709 . 1 1 65 65 GLU C C 13 177.250 0.300 . 1 . . . . 65 GLU C . 11237 1 710 . 1 1 65 65 GLU CA C 13 56.866 0.300 . 1 . . . . 65 GLU CA . 11237 1 711 . 1 1 65 65 GLU CB C 13 28.410 0.300 . 1 . . . . 65 GLU CB . 11237 1 712 . 1 1 65 65 GLU CG C 13 35.815 0.300 . 1 . . . . 65 GLU CG . 11237 1 713 . 1 1 65 65 GLU N N 15 117.891 0.300 . 1 . . . . 65 GLU N . 11237 1 714 . 1 1 66 66 ASP H H 1 8.400 0.030 . 1 . . . . 66 ASP H . 11237 1 715 . 1 1 66 66 ASP HA H 1 4.271 0.030 . 1 . . . . 66 ASP HA . 11237 1 716 . 1 1 66 66 ASP HB2 H 1 2.673 0.030 . 2 . . . . 66 ASP HB2 . 11237 1 717 . 1 1 66 66 ASP HB3 H 1 2.601 0.030 . 2 . . . . 66 ASP HB3 . 11237 1 718 . 1 1 66 66 ASP C C 13 177.738 0.300 . 1 . . . . 66 ASP C . 11237 1 719 . 1 1 66 66 ASP CA C 13 56.551 0.300 . 1 . . . . 66 ASP CA . 11237 1 720 . 1 1 66 66 ASP CB C 13 40.733 0.300 . 1 . . . . 66 ASP CB . 11237 1 721 . 1 1 66 66 ASP N N 15 118.409 0.300 . 1 . . . . 66 ASP N . 11237 1 722 . 1 1 67 67 SER H H 1 8.207 0.030 . 1 . . . . 67 SER H . 11237 1 723 . 1 1 67 67 SER HA H 1 4.385 0.030 . 1 . . . . 67 SER HA . 11237 1 724 . 1 1 67 67 SER HB2 H 1 3.950 0.030 . 2 . . . . 67 SER HB2 . 11237 1 725 . 1 1 67 67 SER HB3 H 1 3.894 0.030 . 2 . . . . 67 SER HB3 . 11237 1 726 . 1 1 67 67 SER C C 13 174.639 0.300 . 1 . . . . 67 SER C . 11237 1 727 . 1 1 67 67 SER CA C 13 59.462 0.300 . 1 . . . . 67 SER CA . 11237 1 728 . 1 1 67 67 SER CB C 13 63.111 0.300 . 1 . . . . 67 SER CB . 11237 1 729 . 1 1 67 67 SER N N 15 113.861 0.300 . 1 . . . . 67 SER N . 11237 1 730 . 1 1 68 68 LYS H H 1 8.201 0.030 . 1 . . . . 68 LYS H . 11237 1 731 . 1 1 68 68 LYS HA H 1 4.418 0.030 . 1 . . . . 68 LYS HA . 11237 1 732 . 1 1 68 68 LYS HB2 H 1 1.832 0.030 . 2 . . . . 68 LYS HB2 . 11237 1 733 . 1 1 68 68 LYS HB3 H 1 2.442 0.030 . 2 . . . . 68 LYS HB3 . 11237 1 734 . 1 1 68 68 LYS HD2 H 1 1.741 0.030 . 1 . . . . 68 LYS HD2 . 11237 1 735 . 1 1 68 68 LYS HD3 H 1 1.741 0.030 . 1 . . . . 68 LYS HD3 . 11237 1 736 . 1 1 68 68 LYS HE2 H 1 2.985 0.030 . 1 . . . . 68 LYS HE2 . 11237 1 737 . 1 1 68 68 LYS HE3 H 1 2.985 0.030 . 1 . . . . 68 LYS HE3 . 11237 1 738 . 1 1 68 68 LYS HG2 H 1 1.391 0.030 . 2 . . . . 68 LYS HG2 . 11237 1 739 . 1 1 68 68 LYS HG3 H 1 1.499 0.030 . 2 . . . . 68 LYS HG3 . 11237 1 740 . 1 1 68 68 LYS C C 13 175.024 0.300 . 1 . . . . 68 LYS C . 11237 1 741 . 1 1 68 68 LYS CA C 13 55.285 0.300 . 1 . . . . 68 LYS CA . 11237 1 742 . 1 1 68 68 LYS CB C 13 32.533 0.300 . 1 . . . . 68 LYS CB . 11237 1 743 . 1 1 68 68 LYS CD C 13 29.072 0.300 . 1 . . . . 68 LYS CD . 11237 1 744 . 1 1 68 68 LYS CE C 13 42.395 0.300 . 1 . . . . 68 LYS CE . 11237 1 745 . 1 1 68 68 LYS CG C 13 25.162 0.300 . 1 . . . . 68 LYS CG . 11237 1 746 . 1 1 68 68 LYS N N 15 121.709 0.300 . 1 . . . . 68 LYS N . 11237 1 747 . 1 1 69 69 MET H H 1 7.808 0.030 . 1 . . . . 69 MET H . 11237 1 748 . 1 1 69 69 MET HA H 1 4.405 0.030 . 1 . . . . 69 MET HA . 11237 1 749 . 1 1 69 69 MET HB2 H 1 1.860 0.030 . 2 . . . . 69 MET HB2 . 11237 1 750 . 1 1 69 69 MET HB3 H 1 1.694 0.030 . 2 . . . . 69 MET HB3 . 11237 1 751 . 1 1 69 69 MET HE1 H 1 1.490 0.030 . 1 . . . . 69 MET HE . 11237 1 752 . 1 1 69 69 MET HE2 H 1 1.490 0.030 . 1 . . . . 69 MET HE . 11237 1 753 . 1 1 69 69 MET HE3 H 1 1.490 0.030 . 1 . . . . 69 MET HE . 11237 1 754 . 1 1 69 69 MET HG2 H 1 1.992 0.030 . 1 . . . . 69 MET HG2 . 11237 1 755 . 1 1 69 69 MET HG3 H 1 1.992 0.030 . 1 . . . . 69 MET HG3 . 11237 1 756 . 1 1 69 69 MET C C 13 175.081 0.300 . 1 . . . . 69 MET C . 11237 1 757 . 1 1 69 69 MET CA C 13 55.219 0.300 . 1 . . . . 69 MET CA . 11237 1 758 . 1 1 69 69 MET CB C 13 33.922 0.300 . 1 . . . . 69 MET CB . 11237 1 759 . 1 1 69 69 MET CE C 13 16.398 0.300 . 1 . . . . 69 MET CE . 11237 1 760 . 1 1 69 69 MET CG C 13 32.036 0.300 . 1 . . . . 69 MET CG . 11237 1 761 . 1 1 69 69 MET N N 15 121.624 0.300 . 1 . . . . 69 MET N . 11237 1 762 . 1 1 70 70 LEU H H 1 8.770 0.030 . 1 . . . . 70 LEU H . 11237 1 763 . 1 1 70 70 LEU HA H 1 4.154 0.030 . 1 . . . . 70 LEU HA . 11237 1 764 . 1 1 70 70 LEU HB2 H 1 0.838 0.030 . 2 . . . . 70 LEU HB2 . 11237 1 765 . 1 1 70 70 LEU HB3 H 1 0.419 0.030 . 2 . . . . 70 LEU HB3 . 11237 1 766 . 1 1 70 70 LEU HD11 H 1 -0.056 0.030 . 1 . . . . 70 LEU HD1 . 11237 1 767 . 1 1 70 70 LEU HD12 H 1 -0.056 0.030 . 1 . . . . 70 LEU HD1 . 11237 1 768 . 1 1 70 70 LEU HD13 H 1 -0.056 0.030 . 1 . . . . 70 LEU HD1 . 11237 1 769 . 1 1 70 70 LEU HD21 H 1 0.052 0.030 . 1 . . . . 70 LEU HD2 . 11237 1 770 . 1 1 70 70 LEU HD22 H 1 0.052 0.030 . 1 . . . . 70 LEU HD2 . 11237 1 771 . 1 1 70 70 LEU HD23 H 1 0.052 0.030 . 1 . . . . 70 LEU HD2 . 11237 1 772 . 1 1 70 70 LEU HG H 1 0.995 0.030 . 1 . . . . 70 LEU HG . 11237 1 773 . 1 1 70 70 LEU C C 13 175.291 0.300 . 1 . . . . 70 LEU C . 11237 1 774 . 1 1 70 70 LEU CA C 13 54.233 0.300 . 1 . . . . 70 LEU CA . 11237 1 775 . 1 1 70 70 LEU CB C 13 42.273 0.300 . 1 . . . . 70 LEU CB . 11237 1 776 . 1 1 70 70 LEU CD1 C 13 25.262 0.300 . 2 . . . . 70 LEU CD1 . 11237 1 777 . 1 1 70 70 LEU CD2 C 13 24.229 0.300 . 2 . . . . 70 LEU CD2 . 11237 1 778 . 1 1 70 70 LEU CG C 13 26.550 0.300 . 1 . . . . 70 LEU CG . 11237 1 779 . 1 1 70 70 LEU N N 15 128.560 0.300 . 1 . . . . 70 LEU N . 11237 1 780 . 1 1 71 71 VAL H H 1 8.222 0.030 . 1 . . . . 71 VAL H . 11237 1 781 . 1 1 71 71 VAL HA H 1 4.720 0.030 . 1 . . . . 71 VAL HA . 11237 1 782 . 1 1 71 71 VAL HB H 1 1.826 0.030 . 1 . . . . 71 VAL HB . 11237 1 783 . 1 1 71 71 VAL HG11 H 1 0.745 0.030 . 1 . . . . 71 VAL HG1 . 11237 1 784 . 1 1 71 71 VAL HG12 H 1 0.745 0.030 . 1 . . . . 71 VAL HG1 . 11237 1 785 . 1 1 71 71 VAL HG13 H 1 0.745 0.030 . 1 . . . . 71 VAL HG1 . 11237 1 786 . 1 1 71 71 VAL HG21 H 1 0.682 0.030 . 1 . . . . 71 VAL HG2 . 11237 1 787 . 1 1 71 71 VAL HG22 H 1 0.682 0.030 . 1 . . . . 71 VAL HG2 . 11237 1 788 . 1 1 71 71 VAL HG23 H 1 0.682 0.030 . 1 . . . . 71 VAL HG2 . 11237 1 789 . 1 1 71 71 VAL C C 13 175.857 0.300 . 1 . . . . 71 VAL C . 11237 1 790 . 1 1 71 71 VAL CA C 13 60.926 0.300 . 1 . . . . 71 VAL CA . 11237 1 791 . 1 1 71 71 VAL CB C 13 33.771 0.300 . 1 . . . . 71 VAL CB . 11237 1 792 . 1 1 71 71 VAL CG1 C 13 21.529 0.300 . 2 . . . . 71 VAL CG1 . 11237 1 793 . 1 1 71 71 VAL CG2 C 13 21.173 0.300 . 2 . . . . 71 VAL CG2 . 11237 1 794 . 1 1 71 71 VAL N N 15 121.024 0.300 . 1 . . . . 71 VAL N . 11237 1 795 . 1 1 72 72 CYS H H 1 9.115 0.030 . 1 . . . . 72 CYS H . 11237 1 796 . 1 1 72 72 CYS HA H 1 4.686 0.030 . 1 . . . . 72 CYS HA . 11237 1 797 . 1 1 72 72 CYS HB2 H 1 3.651 0.030 . 2 . . . . 72 CYS HB2 . 11237 1 798 . 1 1 72 72 CYS HB3 H 1 2.947 0.030 . 2 . . . . 72 CYS HB3 . 11237 1 799 . 1 1 72 72 CYS C C 13 177.913 0.300 . 1 . . . . 72 CYS C . 11237 1 800 . 1 1 72 72 CYS CA C 13 60.204 0.300 . 1 . . . . 72 CYS CA . 11237 1 801 . 1 1 72 72 CYS CB C 13 31.322 0.300 . 1 . . . . 72 CYS CB . 11237 1 802 . 1 1 72 72 CYS N N 15 129.914 0.300 . 1 . . . . 72 CYS N . 11237 1 803 . 1 1 73 73 ASP H H 1 9.437 0.030 . 1 . . . . 73 ASP H . 11237 1 804 . 1 1 73 73 ASP HA H 1 4.499 0.030 . 1 . . . . 73 ASP HA . 11237 1 805 . 1 1 73 73 ASP HB2 H 1 2.868 0.030 . 1 . . . . 73 ASP HB2 . 11237 1 806 . 1 1 73 73 ASP HB3 H 1 2.868 0.030 . 1 . . . . 73 ASP HB3 . 11237 1 807 . 1 1 73 73 ASP C C 13 176.365 0.300 . 1 . . . . 73 ASP C . 11237 1 808 . 1 1 73 73 ASP CA C 13 56.667 0.300 . 1 . . . . 73 ASP CA . 11237 1 809 . 1 1 73 73 ASP CB C 13 41.381 0.300 . 1 . . . . 73 ASP CB . 11237 1 810 . 1 1 73 73 ASP N N 15 131.319 0.300 . 1 . . . . 73 ASP N . 11237 1 811 . 1 1 74 74 THR H H 1 9.465 0.030 . 1 . . . . 74 THR H . 11237 1 812 . 1 1 74 74 THR HA H 1 4.461 0.030 . 1 . . . . 74 THR HA . 11237 1 813 . 1 1 74 74 THR HB H 1 4.506 0.030 . 1 . . . . 74 THR HB . 11237 1 814 . 1 1 74 74 THR HG21 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 11237 1 815 . 1 1 74 74 THR HG22 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 11237 1 816 . 1 1 74 74 THR HG23 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 11237 1 817 . 1 1 74 74 THR C C 13 174.902 0.300 . 1 . . . . 74 THR C . 11237 1 818 . 1 1 74 74 THR CA C 13 65.497 0.300 . 1 . . . . 74 THR CA . 11237 1 819 . 1 1 74 74 THR CB C 13 69.778 0.300 . 1 . . . . 74 THR CB . 11237 1 820 . 1 1 74 74 THR CG2 C 13 22.277 0.300 . 1 . . . . 74 THR CG2 . 11237 1 821 . 1 1 74 74 THR N N 15 119.307 0.300 . 1 . . . . 74 THR N . 11237 1 822 . 1 1 75 75 CYS H H 1 8.578 0.030 . 1 . . . . 75 CYS H . 11237 1 823 . 1 1 75 75 CYS HA H 1 4.880 0.030 . 1 . . . . 75 CYS HA . 11237 1 824 . 1 1 75 75 CYS HB2 H 1 3.264 0.030 . 2 . . . . 75 CYS HB2 . 11237 1 825 . 1 1 75 75 CYS HB3 H 1 2.564 0.030 . 2 . . . . 75 CYS HB3 . 11237 1 826 . 1 1 75 75 CYS C C 13 175.617 0.300 . 1 . . . . 75 CYS C . 11237 1 827 . 1 1 75 75 CYS CA C 13 59.273 0.300 . 1 . . . . 75 CYS CA . 11237 1 828 . 1 1 75 75 CYS CB C 13 32.094 0.300 . 1 . . . . 75 CYS CB . 11237 1 829 . 1 1 75 75 CYS N N 15 120.514 0.300 . 1 . . . . 75 CYS N . 11237 1 830 . 1 1 76 76 ASP H H 1 8.075 0.030 . 1 . . . . 76 ASP H . 11237 1 831 . 1 1 76 76 ASP HA H 1 4.707 0.030 . 1 . . . . 76 ASP HA . 11237 1 832 . 1 1 76 76 ASP HB2 H 1 3.193 0.030 . 2 . . . . 76 ASP HB2 . 11237 1 833 . 1 1 76 76 ASP HB3 H 1 2.256 0.030 . 2 . . . . 76 ASP HB3 . 11237 1 834 . 1 1 76 76 ASP C C 13 174.582 0.300 . 1 . . . . 76 ASP C . 11237 1 835 . 1 1 76 76 ASP CA C 13 57.018 0.300 . 1 . . . . 76 ASP CA . 11237 1 836 . 1 1 76 76 ASP CB C 13 43.880 0.300 . 1 . . . . 76 ASP CB . 11237 1 837 . 1 1 76 76 ASP N N 15 122.440 0.300 . 1 . . . . 76 ASP N . 11237 1 838 . 1 1 77 77 LYS H H 1 8.251 0.030 . 1 . . . . 77 LYS H . 11237 1 839 . 1 1 77 77 LYS HA H 1 4.329 0.030 . 1 . . . . 77 LYS HA . 11237 1 840 . 1 1 77 77 LYS HB2 H 1 2.256 0.030 . 2 . . . . 77 LYS HB2 . 11237 1 841 . 1 1 77 77 LYS HB3 H 1 1.593 0.030 . 2 . . . . 77 LYS HB3 . 11237 1 842 . 1 1 77 77 LYS HD2 H 1 1.803 0.030 . 2 . . . . 77 LYS HD2 . 11237 1 843 . 1 1 77 77 LYS HD3 H 1 1.595 0.030 . 2 . . . . 77 LYS HD3 . 11237 1 844 . 1 1 77 77 LYS HE2 H 1 3.087 0.030 . 1 . . . . 77 LYS HE2 . 11237 1 845 . 1 1 77 77 LYS HE3 H 1 3.087 0.030 . 1 . . . . 77 LYS HE3 . 11237 1 846 . 1 1 77 77 LYS HG2 H 1 1.707 0.030 . 2 . . . . 77 LYS HG2 . 11237 1 847 . 1 1 77 77 LYS HG3 H 1 1.458 0.030 . 2 . . . . 77 LYS HG3 . 11237 1 848 . 1 1 77 77 LYS C C 13 175.780 0.300 . 1 . . . . 77 LYS C . 11237 1 849 . 1 1 77 77 LYS CA C 13 57.183 0.300 . 1 . . . . 77 LYS CA . 11237 1 850 . 1 1 77 77 LYS CB C 13 33.523 0.300 . 1 . . . . 77 LYS CB . 11237 1 851 . 1 1 77 77 LYS CD C 13 28.689 0.300 . 1 . . . . 77 LYS CD . 11237 1 852 . 1 1 77 77 LYS CE C 13 43.124 0.300 . 1 . . . . 77 LYS CE . 11237 1 853 . 1 1 77 77 LYS CG C 13 26.976 0.300 . 1 . . . . 77 LYS CG . 11237 1 854 . 1 1 77 77 LYS N N 15 119.524 0.300 . 1 . . . . 77 LYS N . 11237 1 855 . 1 1 78 78 GLY H H 1 9.190 0.030 . 1 . . . . 78 GLY H . 11237 1 856 . 1 1 78 78 GLY HA2 H 1 3.066 0.030 . 2 . . . . 78 GLY HA2 . 11237 1 857 . 1 1 78 78 GLY HA3 H 1 5.488 0.030 . 2 . . . . 78 GLY HA3 . 11237 1 858 . 1 1 78 78 GLY C C 13 172.094 0.300 . 1 . . . . 78 GLY C . 11237 1 859 . 1 1 78 78 GLY CA C 13 44.123 0.300 . 1 . . . . 78 GLY CA . 11237 1 860 . 1 1 78 78 GLY N N 15 108.028 0.300 . 1 . . . . 78 GLY N . 11237 1 861 . 1 1 79 79 TYR H H 1 8.803 0.030 . 1 . . . . 79 TYR H . 11237 1 862 . 1 1 79 79 TYR HA H 1 5.236 0.030 . 1 . . . . 79 TYR HA . 11237 1 863 . 1 1 79 79 TYR HB2 H 1 2.599 0.030 . 2 . . . . 79 TYR HB2 . 11237 1 864 . 1 1 79 79 TYR HB3 H 1 2.469 0.030 . 2 . . . . 79 TYR HB3 . 11237 1 865 . 1 1 79 79 TYR HD1 H 1 7.140 0.030 . 1 . . . . 79 TYR HD1 . 11237 1 866 . 1 1 79 79 TYR HD2 H 1 7.140 0.030 . 1 . . . . 79 TYR HD2 . 11237 1 867 . 1 1 79 79 TYR HE1 H 1 6.748 0.030 . 1 . . . . 79 TYR HE1 . 11237 1 868 . 1 1 79 79 TYR HE2 H 1 6.748 0.030 . 1 . . . . 79 TYR HE2 . 11237 1 869 . 1 1 79 79 TYR C C 13 175.650 0.300 . 1 . . . . 79 TYR C . 11237 1 870 . 1 1 79 79 TYR CA C 13 56.283 0.300 . 1 . . . . 79 TYR CA . 11237 1 871 . 1 1 79 79 TYR CB C 13 43.477 0.300 . 1 . . . . 79 TYR CB . 11237 1 872 . 1 1 79 79 TYR CD1 C 13 133.770 0.300 . 1 . . . . 79 TYR CD1 . 11237 1 873 . 1 1 79 79 TYR CD2 C 13 133.770 0.300 . 1 . . . . 79 TYR CD2 . 11237 1 874 . 1 1 79 79 TYR CE1 C 13 118.302 0.300 . 1 . . . . 79 TYR CE1 . 11237 1 875 . 1 1 79 79 TYR CE2 C 13 118.302 0.300 . 1 . . . . 79 TYR CE2 . 11237 1 876 . 1 1 79 79 TYR N N 15 118.039 0.300 . 1 . . . . 79 TYR N . 11237 1 877 . 1 1 80 80 HIS H H 1 9.281 0.030 . 1 . . . . 80 HIS H . 11237 1 878 . 1 1 80 80 HIS HA H 1 4.804 0.030 . 1 . . . . 80 HIS HA . 11237 1 879 . 1 1 80 80 HIS HB2 H 1 2.904 0.030 . 2 . . . . 80 HIS HB2 . 11237 1 880 . 1 1 80 80 HIS HB3 H 1 1.442 0.030 . 2 . . . . 80 HIS HB3 . 11237 1 881 . 1 1 80 80 HIS HD2 H 1 6.802 0.030 . 1 . . . . 80 HIS HD2 . 11237 1 882 . 1 1 80 80 HIS HE1 H 1 7.387 0.030 . 1 . . . . 80 HIS HE1 . 11237 1 883 . 1 1 80 80 HIS C C 13 178.635 0.300 . 1 . . . . 80 HIS C . 11237 1 884 . 1 1 80 80 HIS CA C 13 57.860 0.300 . 1 . . . . 80 HIS CA . 11237 1 885 . 1 1 80 80 HIS CB C 13 30.319 0.300 . 1 . . . . 80 HIS CB . 11237 1 886 . 1 1 80 80 HIS CD2 C 13 117.983 0.300 . 1 . . . . 80 HIS CD2 . 11237 1 887 . 1 1 80 80 HIS CE1 C 13 138.150 0.300 . 1 . . . . 80 HIS CE1 . 11237 1 888 . 1 1 80 80 HIS N N 15 122.683 0.300 . 1 . . . . 80 HIS N . 11237 1 889 . 1 1 81 81 THR H H 1 9.064 0.030 . 1 . . . . 81 THR H . 11237 1 890 . 1 1 81 81 THR HA H 1 3.619 0.030 . 1 . . . . 81 THR HA . 11237 1 891 . 1 1 81 81 THR HB H 1 4.404 0.030 . 1 . . . . 81 THR HB . 11237 1 892 . 1 1 81 81 THR HG21 H 1 1.087 0.030 . 1 . . . . 81 THR HG2 . 11237 1 893 . 1 1 81 81 THR HG22 H 1 1.087 0.030 . 1 . . . . 81 THR HG2 . 11237 1 894 . 1 1 81 81 THR HG23 H 1 1.087 0.030 . 1 . . . . 81 THR HG2 . 11237 1 895 . 1 1 81 81 THR C C 13 176.945 0.300 . 1 . . . . 81 THR C . 11237 1 896 . 1 1 81 81 THR CA C 13 65.146 0.300 . 1 . . . . 81 THR CA . 11237 1 897 . 1 1 81 81 THR CB C 13 66.705 0.300 . 1 . . . . 81 THR CB . 11237 1 898 . 1 1 81 81 THR CG2 C 13 22.890 0.300 . 1 . . . . 81 THR CG2 . 11237 1 899 . 1 1 81 81 THR N N 15 114.166 0.300 . 1 . . . . 81 THR N . 11237 1 900 . 1 1 82 82 PHE H H 1 6.558 0.030 . 1 . . . . 82 PHE H . 11237 1 901 . 1 1 82 82 PHE HA H 1 4.804 0.030 . 1 . . . . 82 PHE HA . 11237 1 902 . 1 1 82 82 PHE HB2 H 1 3.589 0.030 . 2 . . . . 82 PHE HB2 . 11237 1 903 . 1 1 82 82 PHE HB3 H 1 2.946 0.030 . 2 . . . . 82 PHE HB3 . 11237 1 904 . 1 1 82 82 PHE HD1 H 1 7.233 0.030 . 1 . . . . 82 PHE HD1 . 11237 1 905 . 1 1 82 82 PHE HD2 H 1 7.233 0.030 . 1 . . . . 82 PHE HD2 . 11237 1 906 . 1 1 82 82 PHE HE1 H 1 7.075 0.030 . 1 . . . . 82 PHE HE1 . 11237 1 907 . 1 1 82 82 PHE HE2 H 1 7.075 0.030 . 1 . . . . 82 PHE HE2 . 11237 1 908 . 1 1 82 82 PHE HZ H 1 6.379 0.030 . 1 . . . . 82 PHE HZ . 11237 1 909 . 1 1 82 82 PHE C C 13 176.145 0.300 . 1 . . . . 82 PHE C . 11237 1 910 . 1 1 82 82 PHE CA C 13 56.207 0.300 . 1 . . . . 82 PHE CA . 11237 1 911 . 1 1 82 82 PHE CB C 13 37.157 0.300 . 1 . . . . 82 PHE CB . 11237 1 912 . 1 1 82 82 PHE CD1 C 13 132.456 0.300 . 1 . . . . 82 PHE CD1 . 11237 1 913 . 1 1 82 82 PHE CD2 C 13 132.456 0.300 . 1 . . . . 82 PHE CD2 . 11237 1 914 . 1 1 82 82 PHE CE1 C 13 131.967 0.300 . 1 . . . . 82 PHE CE1 . 11237 1 915 . 1 1 82 82 PHE CE2 C 13 131.967 0.300 . 1 . . . . 82 PHE CE2 . 11237 1 916 . 1 1 82 82 PHE CZ C 13 130.024 0.300 . 1 . . . . 82 PHE CZ . 11237 1 917 . 1 1 82 82 PHE N N 15 111.835 0.300 . 1 . . . . 82 PHE N . 11237 1 918 . 1 1 83 83 CYS H H 1 7.591 0.030 . 1 . . . . 83 CYS H . 11237 1 919 . 1 1 83 83 CYS HA H 1 4.562 0.030 . 1 . . . . 83 CYS HA . 11237 1 920 . 1 1 83 83 CYS HB2 H 1 2.859 0.030 . 2 . . . . 83 CYS HB2 . 11237 1 921 . 1 1 83 83 CYS HB3 H 1 3.424 0.030 . 2 . . . . 83 CYS HB3 . 11237 1 922 . 1 1 83 83 CYS C C 13 174.741 0.300 . 1 . . . . 83 CYS C . 11237 1 923 . 1 1 83 83 CYS CA C 13 60.901 0.300 . 1 . . . . 83 CYS CA . 11237 1 924 . 1 1 83 83 CYS CB C 13 31.058 0.300 . 1 . . . . 83 CYS CB . 11237 1 925 . 1 1 83 83 CYS N N 15 121.585 0.300 . 1 . . . . 83 CYS N . 11237 1 926 . 1 1 84 84 LEU H H 1 6.812 0.030 . 1 . . . . 84 LEU H . 11237 1 927 . 1 1 84 84 LEU HA H 1 4.390 0.030 . 1 . . . . 84 LEU HA . 11237 1 928 . 1 1 84 84 LEU HB2 H 1 1.748 0.030 . 2 . . . . 84 LEU HB2 . 11237 1 929 . 1 1 84 84 LEU HB3 H 1 1.433 0.030 . 2 . . . . 84 LEU HB3 . 11237 1 930 . 1 1 84 84 LEU HD11 H 1 0.714 0.030 . 1 . . . . 84 LEU HD1 . 11237 1 931 . 1 1 84 84 LEU HD12 H 1 0.714 0.030 . 1 . . . . 84 LEU HD1 . 11237 1 932 . 1 1 84 84 LEU HD13 H 1 0.714 0.030 . 1 . . . . 84 LEU HD1 . 11237 1 933 . 1 1 84 84 LEU HD21 H 1 0.746 0.030 . 1 . . . . 84 LEU HD2 . 11237 1 934 . 1 1 84 84 LEU HD22 H 1 0.746 0.030 . 1 . . . . 84 LEU HD2 . 11237 1 935 . 1 1 84 84 LEU HD23 H 1 0.746 0.030 . 1 . . . . 84 LEU HD2 . 11237 1 936 . 1 1 84 84 LEU HG H 1 1.793 0.030 . 1 . . . . 84 LEU HG . 11237 1 937 . 1 1 84 84 LEU C C 13 175.084 0.300 . 1 . . . . 84 LEU C . 11237 1 938 . 1 1 84 84 LEU CA C 13 54.197 0.300 . 1 . . . . 84 LEU CA . 11237 1 939 . 1 1 84 84 LEU CB C 13 44.073 0.300 . 1 . . . . 84 LEU CB . 11237 1 940 . 1 1 84 84 LEU CD1 C 13 26.896 0.300 . 2 . . . . 84 LEU CD1 . 11237 1 941 . 1 1 84 84 LEU CD2 C 13 23.417 0.300 . 2 . . . . 84 LEU CD2 . 11237 1 942 . 1 1 84 84 LEU CG C 13 26.322 0.300 . 1 . . . . 84 LEU CG . 11237 1 943 . 1 1 84 84 LEU N N 15 122.090 0.300 . 1 . . . . 84 LEU N . 11237 1 944 . 1 1 85 85 GLN H H 1 7.906 0.030 . 1 . . . . 85 GLN H . 11237 1 945 . 1 1 85 85 GLN HA H 1 4.591 0.030 . 1 . . . . 85 GLN HA . 11237 1 946 . 1 1 85 85 GLN HB2 H 1 1.959 0.030 . 2 . . . . 85 GLN HB2 . 11237 1 947 . 1 1 85 85 GLN HB3 H 1 1.891 0.030 . 2 . . . . 85 GLN HB3 . 11237 1 948 . 1 1 85 85 GLN HE21 H 1 7.564 0.030 . 2 . . . . 85 GLN HE21 . 11237 1 949 . 1 1 85 85 GLN HE22 H 1 6.833 0.030 . 2 . . . . 85 GLN HE22 . 11237 1 950 . 1 1 85 85 GLN HG2 H 1 2.253 0.030 . 1 . . . . 85 GLN HG2 . 11237 1 951 . 1 1 85 85 GLN HG3 H 1 2.253 0.030 . 1 . . . . 85 GLN HG3 . 11237 1 952 . 1 1 85 85 GLN C C 13 174.290 0.300 . 1 . . . . 85 GLN C . 11237 1 953 . 1 1 85 85 GLN CA C 13 52.322 0.300 . 1 . . . . 85 GLN CA . 11237 1 954 . 1 1 85 85 GLN CB C 13 31.065 0.300 . 1 . . . . 85 GLN CB . 11237 1 955 . 1 1 85 85 GLN CG C 13 33.537 0.300 . 1 . . . . 85 GLN CG . 11237 1 956 . 1 1 85 85 GLN N N 15 117.984 0.300 . 1 . . . . 85 GLN N . 11237 1 957 . 1 1 85 85 GLN NE2 N 15 112.528 0.300 . 1 . . . . 85 GLN NE2 . 11237 1 958 . 1 1 86 86 PRO HA H 1 4.774 0.030 . 1 . . . . 86 PRO HA . 11237 1 959 . 1 1 86 86 PRO HB2 H 1 2.080 0.030 . 2 . . . . 86 PRO HB2 . 11237 1 960 . 1 1 86 86 PRO HB3 H 1 2.408 0.030 . 2 . . . . 86 PRO HB3 . 11237 1 961 . 1 1 86 86 PRO HD2 H 1 3.620 0.030 . 2 . . . . 86 PRO HD2 . 11237 1 962 . 1 1 86 86 PRO HD3 H 1 3.477 0.030 . 2 . . . . 86 PRO HD3 . 11237 1 963 . 1 1 86 86 PRO HG2 H 1 1.817 0.030 . 2 . . . . 86 PRO HG2 . 11237 1 964 . 1 1 86 86 PRO HG3 H 1 1.930 0.030 . 2 . . . . 86 PRO HG3 . 11237 1 965 . 1 1 86 86 PRO C C 13 175.380 0.300 . 1 . . . . 86 PRO C . 11237 1 966 . 1 1 86 86 PRO CA C 13 62.969 0.300 . 1 . . . . 86 PRO CA . 11237 1 967 . 1 1 86 86 PRO CB C 13 34.587 0.300 . 1 . . . . 86 PRO CB . 11237 1 968 . 1 1 86 86 PRO CD C 13 50.035 0.300 . 1 . . . . 86 PRO CD . 11237 1 969 . 1 1 86 86 PRO CG C 13 25.061 0.300 . 1 . . . . 86 PRO CG . 11237 1 970 . 1 1 87 87 VAL H H 1 8.186 0.030 . 1 . . . . 87 VAL H . 11237 1 971 . 1 1 87 87 VAL HA H 1 3.863 0.030 . 1 . . . . 87 VAL HA . 11237 1 972 . 1 1 87 87 VAL HB H 1 2.016 0.030 . 1 . . . . 87 VAL HB . 11237 1 973 . 1 1 87 87 VAL HG11 H 1 0.972 0.030 . 1 . . . . 87 VAL HG1 . 11237 1 974 . 1 1 87 87 VAL HG12 H 1 0.972 0.030 . 1 . . . . 87 VAL HG1 . 11237 1 975 . 1 1 87 87 VAL HG13 H 1 0.972 0.030 . 1 . . . . 87 VAL HG1 . 11237 1 976 . 1 1 87 87 VAL HG21 H 1 1.055 0.030 . 1 . . . . 87 VAL HG2 . 11237 1 977 . 1 1 87 87 VAL HG22 H 1 1.055 0.030 . 1 . . . . 87 VAL HG2 . 11237 1 978 . 1 1 87 87 VAL HG23 H 1 1.055 0.030 . 1 . . . . 87 VAL HG2 . 11237 1 979 . 1 1 87 87 VAL C C 13 177.059 0.300 . 1 . . . . 87 VAL C . 11237 1 980 . 1 1 87 87 VAL CA C 13 63.276 0.300 . 1 . . . . 87 VAL CA . 11237 1 981 . 1 1 87 87 VAL CB C 13 32.398 0.300 . 1 . . . . 87 VAL CB . 11237 1 982 . 1 1 87 87 VAL CG1 C 13 21.300 0.300 . 2 . . . . 87 VAL CG1 . 11237 1 983 . 1 1 87 87 VAL CG2 C 13 21.246 0.300 . 2 . . . . 87 VAL CG2 . 11237 1 984 . 1 1 87 87 VAL N N 15 117.860 0.300 . 1 . . . . 87 VAL N . 11237 1 985 . 1 1 88 88 MET H H 1 7.729 0.030 . 1 . . . . 88 MET H . 11237 1 986 . 1 1 88 88 MET HA H 1 4.570 0.030 . 1 . . . . 88 MET HA . 11237 1 987 . 1 1 88 88 MET HB2 H 1 1.832 0.030 . 2 . . . . 88 MET HB2 . 11237 1 988 . 1 1 88 88 MET HB3 H 1 1.991 0.030 . 2 . . . . 88 MET HB3 . 11237 1 989 . 1 1 88 88 MET HE1 H 1 2.017 0.030 . 1 . . . . 88 MET HE . 11237 1 990 . 1 1 88 88 MET HE2 H 1 2.017 0.030 . 1 . . . . 88 MET HE . 11237 1 991 . 1 1 88 88 MET HE3 H 1 2.017 0.030 . 1 . . . . 88 MET HE . 11237 1 992 . 1 1 88 88 MET HG2 H 1 2.465 0.030 . 1 . . . . 88 MET HG2 . 11237 1 993 . 1 1 88 88 MET HG3 H 1 2.465 0.030 . 1 . . . . 88 MET HG3 . 11237 1 994 . 1 1 88 88 MET C C 13 175.834 0.300 . 1 . . . . 88 MET C . 11237 1 995 . 1 1 88 88 MET CA C 13 54.638 0.300 . 1 . . . . 88 MET CA . 11237 1 996 . 1 1 88 88 MET CB C 13 34.148 0.300 . 1 . . . . 88 MET CB . 11237 1 997 . 1 1 88 88 MET CE C 13 17.023 0.300 . 1 . . . . 88 MET CE . 11237 1 998 . 1 1 88 88 MET CG C 13 32.309 0.300 . 1 . . . . 88 MET CG . 11237 1 999 . 1 1 88 88 MET N N 15 124.739 0.300 . 1 . . . . 88 MET N . 11237 1 1000 . 1 1 89 89 LYS H H 1 8.728 0.030 . 1 . . . . 89 LYS H . 11237 1 1001 . 1 1 89 89 LYS HA H 1 4.235 0.030 . 1 . . . . 89 LYS HA . 11237 1 1002 . 1 1 89 89 LYS HB2 H 1 1.770 0.030 . 2 . . . . 89 LYS HB2 . 11237 1 1003 . 1 1 89 89 LYS HB3 H 1 1.905 0.030 . 2 . . . . 89 LYS HB3 . 11237 1 1004 . 1 1 89 89 LYS HD2 H 1 1.672 0.030 . 1 . . . . 89 LYS HD2 . 11237 1 1005 . 1 1 89 89 LYS HD3 H 1 1.672 0.030 . 1 . . . . 89 LYS HD3 . 11237 1 1006 . 1 1 89 89 LYS HE2 H 1 2.978 0.030 . 1 . . . . 89 LYS HE2 . 11237 1 1007 . 1 1 89 89 LYS HE3 H 1 2.978 0.030 . 1 . . . . 89 LYS HE3 . 11237 1 1008 . 1 1 89 89 LYS HG2 H 1 1.386 0.030 . 2 . . . . 89 LYS HG2 . 11237 1 1009 . 1 1 89 89 LYS HG3 H 1 1.485 0.030 . 2 . . . . 89 LYS HG3 . 11237 1 1010 . 1 1 89 89 LYS C C 13 176.231 0.300 . 1 . . . . 89 LYS C . 11237 1 1011 . 1 1 89 89 LYS CA C 13 57.269 0.300 . 1 . . . . 89 LYS CA . 11237 1 1012 . 1 1 89 89 LYS CB C 13 32.964 0.300 . 1 . . . . 89 LYS CB . 11237 1 1013 . 1 1 89 89 LYS CD C 13 28.927 0.300 . 1 . . . . 89 LYS CD . 11237 1 1014 . 1 1 89 89 LYS CE C 13 42.021 0.300 . 1 . . . . 89 LYS CE . 11237 1 1015 . 1 1 89 89 LYS CG C 13 25.101 0.300 . 1 . . . . 89 LYS CG . 11237 1 1016 . 1 1 89 89 LYS N N 15 123.479 0.300 . 1 . . . . 89 LYS N . 11237 1 1017 . 1 1 90 90 SER H H 1 7.606 0.030 . 1 . . . . 90 SER H . 11237 1 1018 . 1 1 90 90 SER HA H 1 4.576 0.030 . 1 . . . . 90 SER HA . 11237 1 1019 . 1 1 90 90 SER HB2 H 1 3.788 0.030 . 2 . . . . 90 SER HB2 . 11237 1 1020 . 1 1 90 90 SER HB3 H 1 3.718 0.030 . 2 . . . . 90 SER HB3 . 11237 1 1021 . 1 1 90 90 SER C C 13 172.636 0.300 . 1 . . . . 90 SER C . 11237 1 1022 . 1 1 90 90 SER CA C 13 56.638 0.300 . 1 . . . . 90 SER CA . 11237 1 1023 . 1 1 90 90 SER CB C 13 64.509 0.300 . 1 . . . . 90 SER CB . 11237 1 1024 . 1 1 90 90 SER N N 15 112.335 0.300 . 1 . . . . 90 SER N . 11237 1 1025 . 1 1 91 91 VAL H H 1 8.403 0.030 . 1 . . . . 91 VAL H . 11237 1 1026 . 1 1 91 91 VAL HA H 1 4.190 0.030 . 1 . . . . 91 VAL HA . 11237 1 1027 . 1 1 91 91 VAL HB H 1 1.971 0.030 . 1 . . . . 91 VAL HB . 11237 1 1028 . 1 1 91 91 VAL HG11 H 1 0.853 0.030 . 1 . . . . 91 VAL HG1 . 11237 1 1029 . 1 1 91 91 VAL HG12 H 1 0.853 0.030 . 1 . . . . 91 VAL HG1 . 11237 1 1030 . 1 1 91 91 VAL HG13 H 1 0.853 0.030 . 1 . . . . 91 VAL HG1 . 11237 1 1031 . 1 1 91 91 VAL HG21 H 1 0.889 0.030 . 1 . . . . 91 VAL HG2 . 11237 1 1032 . 1 1 91 91 VAL HG22 H 1 0.889 0.030 . 1 . . . . 91 VAL HG2 . 11237 1 1033 . 1 1 91 91 VAL HG23 H 1 0.889 0.030 . 1 . . . . 91 VAL HG2 . 11237 1 1034 . 1 1 91 91 VAL C C 13 174.738 0.300 . 1 . . . . 91 VAL C . 11237 1 1035 . 1 1 91 91 VAL CA C 13 60.138 0.300 . 1 . . . . 91 VAL CA . 11237 1 1036 . 1 1 91 91 VAL CB C 13 32.410 0.300 . 1 . . . . 91 VAL CB . 11237 1 1037 . 1 1 91 91 VAL CG1 C 13 20.898 0.300 . 2 . . . . 91 VAL CG1 . 11237 1 1038 . 1 1 91 91 VAL CG2 C 13 20.851 0.300 . 2 . . . . 91 VAL CG2 . 11237 1 1039 . 1 1 91 91 VAL N N 15 122.656 0.300 . 1 . . . . 91 VAL N . 11237 1 1040 . 1 1 92 92 PRO HA H 1 4.579 0.030 . 1 . . . . 92 PRO HA . 11237 1 1041 . 1 1 92 92 PRO HB2 H 1 2.122 0.030 . 2 . . . . 92 PRO HB2 . 11237 1 1042 . 1 1 92 92 PRO HB3 H 1 2.460 0.030 . 2 . . . . 92 PRO HB3 . 11237 1 1043 . 1 1 92 92 PRO HD2 H 1 3.497 0.030 . 2 . . . . 92 PRO HD2 . 11237 1 1044 . 1 1 92 92 PRO HD3 H 1 3.924 0.030 . 2 . . . . 92 PRO HD3 . 11237 1 1045 . 1 1 92 92 PRO HG2 H 1 2.080 0.030 . 2 . . . . 92 PRO HG2 . 11237 1 1046 . 1 1 92 92 PRO HG3 H 1 2.017 0.030 . 2 . . . . 92 PRO HG3 . 11237 1 1047 . 1 1 92 92 PRO C C 13 177.403 0.300 . 1 . . . . 92 PRO C . 11237 1 1048 . 1 1 92 92 PRO CA C 13 62.894 0.300 . 1 . . . . 92 PRO CA . 11237 1 1049 . 1 1 92 92 PRO CB C 13 32.494 0.300 . 1 . . . . 92 PRO CB . 11237 1 1050 . 1 1 92 92 PRO CD C 13 51.265 0.300 . 1 . . . . 92 PRO CD . 11237 1 1051 . 1 1 92 92 PRO CG C 13 27.587 0.300 . 1 . . . . 92 PRO CG . 11237 1 1052 . 1 1 93 93 THR H H 1 8.535 0.030 . 1 . . . . 93 THR H . 11237 1 1053 . 1 1 93 93 THR HA H 1 4.325 0.030 . 1 . . . . 93 THR HA . 11237 1 1054 . 1 1 93 93 THR HB H 1 4.361 0.030 . 1 . . . . 93 THR HB . 11237 1 1055 . 1 1 93 93 THR HG21 H 1 1.253 0.030 . 1 . . . . 93 THR HG2 . 11237 1 1056 . 1 1 93 93 THR HG22 H 1 1.253 0.030 . 1 . . . . 93 THR HG2 . 11237 1 1057 . 1 1 93 93 THR HG23 H 1 1.253 0.030 . 1 . . . . 93 THR HG2 . 11237 1 1058 . 1 1 93 93 THR C C 13 175.080 0.300 . 1 . . . . 93 THR C . 11237 1 1059 . 1 1 93 93 THR CA C 13 62.526 0.300 . 1 . . . . 93 THR CA . 11237 1 1060 . 1 1 93 93 THR CB C 13 69.487 0.300 . 1 . . . . 93 THR CB . 11237 1 1061 . 1 1 93 93 THR CG2 C 13 21.789 0.300 . 1 . . . . 93 THR CG2 . 11237 1 1062 . 1 1 93 93 THR N N 15 112.921 0.300 . 1 . . . . 93 THR N . 11237 1 1063 . 1 1 94 94 ASN H H 1 8.246 0.030 . 1 . . . . 94 ASN H . 11237 1 1064 . 1 1 94 94 ASN HA H 1 4.956 0.030 . 1 . . . . 94 ASN HA . 11237 1 1065 . 1 1 94 94 ASN HB2 H 1 2.913 0.030 . 2 . . . . 94 ASN HB2 . 11237 1 1066 . 1 1 94 94 ASN HB3 H 1 2.851 0.030 . 2 . . . . 94 ASN HB3 . 11237 1 1067 . 1 1 94 94 ASN HD21 H 1 7.671 0.030 . 2 . . . . 94 ASN HD21 . 11237 1 1068 . 1 1 94 94 ASN HD22 H 1 6.931 0.030 . 2 . . . . 94 ASN HD22 . 11237 1 1069 . 1 1 94 94 ASN C C 13 175.072 0.300 . 1 . . . . 94 ASN C . 11237 1 1070 . 1 1 94 94 ASN CA C 13 52.961 0.300 . 1 . . . . 94 ASN CA . 11237 1 1071 . 1 1 94 94 ASN CB C 13 38.969 0.300 . 1 . . . . 94 ASN CB . 11237 1 1072 . 1 1 94 94 ASN N N 15 119.046 0.300 . 1 . . . . 94 ASN N . 11237 1 1073 . 1 1 94 94 ASN ND2 N 15 113.088 0.300 . 1 . . . . 94 ASN ND2 . 11237 1 1074 . 1 1 95 95 GLY H H 1 8.312 0.030 . 1 . . . . 95 GLY H . 11237 1 1075 . 1 1 95 95 GLY HA2 H 1 3.899 0.030 . 2 . . . . 95 GLY HA2 . 11237 1 1076 . 1 1 95 95 GLY HA3 H 1 4.336 0.030 . 2 . . . . 95 GLY HA3 . 11237 1 1077 . 1 1 95 95 GLY C C 13 172.864 0.300 . 1 . . . . 95 GLY C . 11237 1 1078 . 1 1 95 95 GLY CA C 13 45.340 0.300 . 1 . . . . 95 GLY CA . 11237 1 1079 . 1 1 95 95 GLY N N 15 109.247 0.300 . 1 . . . . 95 GLY N . 11237 1 1080 . 1 1 96 96 TRP H H 1 8.494 0.030 . 1 . . . . 96 TRP H . 11237 1 1081 . 1 1 96 96 TRP HA H 1 4.385 0.030 . 1 . . . . 96 TRP HA . 11237 1 1082 . 1 1 96 96 TRP HB2 H 1 3.097 0.030 . 1 . . . . 96 TRP HB2 . 11237 1 1083 . 1 1 96 96 TRP HB3 H 1 3.097 0.030 . 1 . . . . 96 TRP HB3 . 11237 1 1084 . 1 1 96 96 TRP HD1 H 1 7.276 0.030 . 1 . . . . 96 TRP HD1 . 11237 1 1085 . 1 1 96 96 TRP HE1 H 1 9.888 0.030 . 1 . . . . 96 TRP HE1 . 11237 1 1086 . 1 1 96 96 TRP HE3 H 1 7.087 0.030 . 1 . . . . 96 TRP HE3 . 11237 1 1087 . 1 1 96 96 TRP HH2 H 1 6.437 0.030 . 1 . . . . 96 TRP HH2 . 11237 1 1088 . 1 1 96 96 TRP HZ2 H 1 7.109 0.030 . 1 . . . . 96 TRP HZ2 . 11237 1 1089 . 1 1 96 96 TRP HZ3 H 1 6.813 0.030 . 1 . . . . 96 TRP HZ3 . 11237 1 1090 . 1 1 96 96 TRP C C 13 172.910 0.300 . 1 . . . . 96 TRP C . 11237 1 1091 . 1 1 96 96 TRP CA C 13 59.947 0.300 . 1 . . . . 96 TRP CA . 11237 1 1092 . 1 1 96 96 TRP CB C 13 30.249 0.300 . 1 . . . . 96 TRP CB . 11237 1 1093 . 1 1 96 96 TRP CD1 C 13 125.756 0.300 . 1 . . . . 96 TRP CD1 . 11237 1 1094 . 1 1 96 96 TRP CE3 C 13 120.400 0.300 . 1 . . . . 96 TRP CE3 . 11237 1 1095 . 1 1 96 96 TRP CH2 C 13 123.235 0.300 . 1 . . . . 96 TRP CH2 . 11237 1 1096 . 1 1 96 96 TRP CZ2 C 13 114.570 0.300 . 1 . . . . 96 TRP CZ2 . 11237 1 1097 . 1 1 96 96 TRP CZ3 C 13 120.360 0.300 . 1 . . . . 96 TRP CZ3 . 11237 1 1098 . 1 1 96 96 TRP N N 15 123.166 0.300 . 1 . . . . 96 TRP N . 11237 1 1099 . 1 1 96 96 TRP NE1 N 15 128.948 0.300 . 1 . . . . 96 TRP NE1 . 11237 1 1100 . 1 1 97 97 LYS H H 1 6.681 0.030 . 1 . . . . 97 LYS H . 11237 1 1101 . 1 1 97 97 LYS HA H 1 5.206 0.030 . 1 . . . . 97 LYS HA . 11237 1 1102 . 1 1 97 97 LYS HB2 H 1 1.293 0.030 . 2 . . . . 97 LYS HB2 . 11237 1 1103 . 1 1 97 97 LYS HB3 H 1 1.185 0.030 . 2 . . . . 97 LYS HB3 . 11237 1 1104 . 1 1 97 97 LYS HD2 H 1 1.428 0.030 . 1 . . . . 97 LYS HD2 . 11237 1 1105 . 1 1 97 97 LYS HD3 H 1 1.428 0.030 . 1 . . . . 97 LYS HD3 . 11237 1 1106 . 1 1 97 97 LYS HE2 H 1 2.902 0.030 . 2 . . . . 97 LYS HE2 . 11237 1 1107 . 1 1 97 97 LYS HE3 H 1 2.937 0.030 . 2 . . . . 97 LYS HE3 . 11237 1 1108 . 1 1 97 97 LYS HG2 H 1 1.389 0.030 . 2 . . . . 97 LYS HG2 . 11237 1 1109 . 1 1 97 97 LYS HG3 H 1 1.344 0.030 . 2 . . . . 97 LYS HG3 . 11237 1 1110 . 1 1 97 97 LYS C C 13 174.686 0.300 . 1 . . . . 97 LYS C . 11237 1 1111 . 1 1 97 97 LYS CA C 13 53.365 0.300 . 1 . . . . 97 LYS CA . 11237 1 1112 . 1 1 97 97 LYS CB C 13 36.932 0.300 . 1 . . . . 97 LYS CB . 11237 1 1113 . 1 1 97 97 LYS CD C 13 29.506 0.300 . 1 . . . . 97 LYS CD . 11237 1 1114 . 1 1 97 97 LYS CE C 13 42.000 0.300 . 1 . . . . 97 LYS CE . 11237 1 1115 . 1 1 97 97 LYS CG C 13 25.307 0.300 . 1 . . . . 97 LYS CG . 11237 1 1116 . 1 1 97 97 LYS N N 15 124.830 0.300 . 1 . . . . 97 LYS N . 11237 1 1117 . 1 1 98 98 CYS H H 1 8.972 0.030 . 1 . . . . 98 CYS H . 11237 1 1118 . 1 1 98 98 CYS HA H 1 3.514 0.030 . 1 . . . . 98 CYS HA . 11237 1 1119 . 1 1 98 98 CYS HB2 H 1 2.998 0.030 . 2 . . . . 98 CYS HB2 . 11237 1 1120 . 1 1 98 98 CYS HB3 H 1 2.519 0.030 . 2 . . . . 98 CYS HB3 . 11237 1 1121 . 1 1 98 98 CYS C C 13 174.812 0.300 . 1 . . . . 98 CYS C . 11237 1 1122 . 1 1 98 98 CYS CA C 13 57.319 0.300 . 1 . . . . 98 CYS CA . 11237 1 1123 . 1 1 98 98 CYS CB C 13 32.148 0.300 . 1 . . . . 98 CYS CB . 11237 1 1124 . 1 1 98 98 CYS N N 15 124.833 0.300 . 1 . . . . 98 CYS N . 11237 1 1125 . 1 1 99 99 LYS H H 1 8.115 0.030 . 1 . . . . 99 LYS H . 11237 1 1126 . 1 1 99 99 LYS HA H 1 3.678 0.030 . 1 . . . . 99 LYS HA . 11237 1 1127 . 1 1 99 99 LYS HB2 H 1 1.733 0.030 . 2 . . . . 99 LYS HB2 . 11237 1 1128 . 1 1 99 99 LYS HB3 H 1 1.833 0.030 . 2 . . . . 99 LYS HB3 . 11237 1 1129 . 1 1 99 99 LYS HD2 H 1 1.699 0.030 . 1 . . . . 99 LYS HD2 . 11237 1 1130 . 1 1 99 99 LYS HD3 H 1 1.699 0.030 . 1 . . . . 99 LYS HD3 . 11237 1 1131 . 1 1 99 99 LYS HE2 H 1 3.027 0.030 . 1 . . . . 99 LYS HE2 . 11237 1 1132 . 1 1 99 99 LYS HE3 H 1 3.027 0.030 . 1 . . . . 99 LYS HE3 . 11237 1 1133 . 1 1 99 99 LYS HG2 H 1 1.368 0.030 . 1 . . . . 99 LYS HG2 . 11237 1 1134 . 1 1 99 99 LYS HG3 H 1 1.368 0.030 . 1 . . . . 99 LYS HG3 . 11237 1 1135 . 1 1 99 99 LYS C C 13 177.628 0.300 . 1 . . . . 99 LYS C . 11237 1 1136 . 1 1 99 99 LYS CA C 13 59.285 0.300 . 1 . . . . 99 LYS CA . 11237 1 1137 . 1 1 99 99 LYS CB C 13 32.153 0.300 . 1 . . . . 99 LYS CB . 11237 1 1138 . 1 1 99 99 LYS CD C 13 29.433 0.300 . 1 . . . . 99 LYS CD . 11237 1 1139 . 1 1 99 99 LYS CE C 13 42.175 0.300 . 1 . . . . 99 LYS CE . 11237 1 1140 . 1 1 99 99 LYS CG C 13 24.301 0.300 . 1 . . . . 99 LYS CG . 11237 1 1141 . 1 1 99 99 LYS N N 15 117.344 0.300 . 1 . . . . 99 LYS N . 11237 1 1142 . 1 1 100 100 ASN H H 1 8.284 0.030 . 1 . . . . 100 ASN H . 11237 1 1143 . 1 1 100 100 ASN HA H 1 4.527 0.030 . 1 . . . . 100 ASN HA . 11237 1 1144 . 1 1 100 100 ASN HB2 H 1 2.907 0.030 . 2 . . . . 100 ASN HB2 . 11237 1 1145 . 1 1 100 100 ASN HB3 H 1 2.848 0.030 . 2 . . . . 100 ASN HB3 . 11237 1 1146 . 1 1 100 100 ASN HD21 H 1 7.080 0.030 . 2 . . . . 100 ASN HD21 . 11237 1 1147 . 1 1 100 100 ASN HD22 H 1 7.816 0.030 . 2 . . . . 100 ASN HD22 . 11237 1 1148 . 1 1 100 100 ASN C C 13 177.209 0.300 . 1 . . . . 100 ASN C . 11237 1 1149 . 1 1 100 100 ASN CA C 13 55.792 0.300 . 1 . . . . 100 ASN CA . 11237 1 1150 . 1 1 100 100 ASN CB C 13 39.205 0.300 . 1 . . . . 100 ASN CB . 11237 1 1151 . 1 1 100 100 ASN N N 15 117.997 0.300 . 1 . . . . 100 ASN N . 11237 1 1152 . 1 1 100 100 ASN ND2 N 15 114.717 0.300 . 1 . . . . 100 ASN ND2 . 11237 1 1153 . 1 1 101 101 CYS H H 1 8.136 0.030 . 1 . . . . 101 CYS H . 11237 1 1154 . 1 1 101 101 CYS HA H 1 4.073 0.030 . 1 . . . . 101 CYS HA . 11237 1 1155 . 1 1 101 101 CYS HB2 H 1 2.774 0.030 . 2 . . . . 101 CYS HB2 . 11237 1 1156 . 1 1 101 101 CYS HB3 H 1 2.621 0.030 . 2 . . . . 101 CYS HB3 . 11237 1 1157 . 1 1 101 101 CYS C C 13 176.706 0.300 . 1 . . . . 101 CYS C . 11237 1 1158 . 1 1 101 101 CYS CA C 13 62.801 0.300 . 1 . . . . 101 CYS CA . 11237 1 1159 . 1 1 101 101 CYS CB C 13 30.153 0.300 . 1 . . . . 101 CYS CB . 11237 1 1160 . 1 1 101 101 CYS N N 15 122.917 0.300 . 1 . . . . 101 CYS N . 11237 1 1161 . 1 1 102 102 ARG H H 1 7.848 0.030 . 1 . . . . 102 ARG H . 11237 1 1162 . 1 1 102 102 ARG HA H 1 3.961 0.030 . 1 . . . . 102 ARG HA . 11237 1 1163 . 1 1 102 102 ARG HB2 H 1 1.650 0.030 . 1 . . . . 102 ARG HB2 . 11237 1 1164 . 1 1 102 102 ARG HB3 H 1 1.650 0.030 . 1 . . . . 102 ARG HB3 . 11237 1 1165 . 1 1 102 102 ARG HD2 H 1 3.025 0.030 . 1 . . . . 102 ARG HD2 . 11237 1 1166 . 1 1 102 102 ARG HD3 H 1 3.025 0.030 . 1 . . . . 102 ARG HD3 . 11237 1 1167 . 1 1 102 102 ARG HG2 H 1 1.505 0.030 . 2 . . . . 102 ARG HG2 . 11237 1 1168 . 1 1 102 102 ARG HG3 H 1 1.450 0.030 . 2 . . . . 102 ARG HG3 . 11237 1 1169 . 1 1 102 102 ARG C C 13 176.575 0.300 . 1 . . . . 102 ARG C . 11237 1 1170 . 1 1 102 102 ARG CA C 13 57.440 0.300 . 1 . . . . 102 ARG CA . 11237 1 1171 . 1 1 102 102 ARG CB C 13 30.255 0.300 . 1 . . . . 102 ARG CB . 11237 1 1172 . 1 1 102 102 ARG CD C 13 43.522 0.300 . 1 . . . . 102 ARG CD . 11237 1 1173 . 1 1 102 102 ARG CG C 13 26.950 0.300 . 1 . . . . 102 ARG CG . 11237 1 1174 . 1 1 102 102 ARG N N 15 118.634 0.300 . 1 . . . . 102 ARG N . 11237 1 1175 . 1 1 103 103 ILE H H 1 7.693 0.030 . 1 . . . . 103 ILE H . 11237 1 1176 . 1 1 103 103 ILE HA H 1 4.062 0.030 . 1 . . . . 103 ILE HA . 11237 1 1177 . 1 1 103 103 ILE HB H 1 1.889 0.030 . 1 . . . . 103 ILE HB . 11237 1 1178 . 1 1 103 103 ILE HD11 H 1 0.845 0.030 . 1 . . . . 103 ILE HD1 . 11237 1 1179 . 1 1 103 103 ILE HD12 H 1 0.845 0.030 . 1 . . . . 103 ILE HD1 . 11237 1 1180 . 1 1 103 103 ILE HD13 H 1 0.845 0.030 . 1 . . . . 103 ILE HD1 . 11237 1 1181 . 1 1 103 103 ILE HG12 H 1 1.516 0.030 . 2 . . . . 103 ILE HG12 . 11237 1 1182 . 1 1 103 103 ILE HG13 H 1 1.186 0.030 . 2 . . . . 103 ILE HG13 . 11237 1 1183 . 1 1 103 103 ILE HG21 H 1 0.875 0.030 . 1 . . . . 103 ILE HG2 . 11237 1 1184 . 1 1 103 103 ILE HG22 H 1 0.875 0.030 . 1 . . . . 103 ILE HG2 . 11237 1 1185 . 1 1 103 103 ILE HG23 H 1 0.875 0.030 . 1 . . . . 103 ILE HG2 . 11237 1 1186 . 1 1 103 103 ILE C C 13 176.395 0.300 . 1 . . . . 103 ILE C . 11237 1 1187 . 1 1 103 103 ILE CA C 13 61.808 0.300 . 1 . . . . 103 ILE CA . 11237 1 1188 . 1 1 103 103 ILE CB C 13 38.433 0.300 . 1 . . . . 103 ILE CB . 11237 1 1189 . 1 1 103 103 ILE CD1 C 13 13.043 0.300 . 1 . . . . 103 ILE CD1 . 11237 1 1190 . 1 1 103 103 ILE CG1 C 13 27.484 0.300 . 1 . . . . 103 ILE CG1 . 11237 1 1191 . 1 1 103 103 ILE CG2 C 13 17.388 0.300 . 1 . . . . 103 ILE CG2 . 11237 1 1192 . 1 1 103 103 ILE N N 15 119.311 0.300 . 1 . . . . 103 ILE N . 11237 1 1193 . 1 1 104 104 CYS H H 1 8.137 0.030 . 1 . . . . 104 CYS H . 11237 1 1194 . 1 1 104 104 CYS HA H 1 4.444 0.030 . 1 . . . . 104 CYS HA . 11237 1 1195 . 1 1 104 104 CYS HB2 H 1 2.892 0.030 . 1 . . . . 104 CYS HB2 . 11237 1 1196 . 1 1 104 104 CYS HB3 H 1 2.892 0.030 . 1 . . . . 104 CYS HB3 . 11237 1 1197 . 1 1 104 104 CYS C C 13 174.776 0.300 . 1 . . . . 104 CYS C . 11237 1 1198 . 1 1 104 104 CYS CA C 13 59.057 0.300 . 1 . . . . 104 CYS CA . 11237 1 1199 . 1 1 104 104 CYS CB C 13 27.646 0.300 . 1 . . . . 104 CYS CB . 11237 1 1200 . 1 1 104 104 CYS N N 15 122.635 0.300 . 1 . . . . 104 CYS N . 11237 1 1201 . 1 1 105 105 ILE H H 1 8.207 0.030 . 1 . . . . 105 ILE H . 11237 1 1202 . 1 1 105 105 ILE HA H 1 4.203 0.030 . 1 . . . . 105 ILE HA . 11237 1 1203 . 1 1 105 105 ILE HB H 1 1.891 0.030 . 1 . . . . 105 ILE HB . 11237 1 1204 . 1 1 105 105 ILE HD11 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11237 1 1205 . 1 1 105 105 ILE HD12 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11237 1 1206 . 1 1 105 105 ILE HD13 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11237 1 1207 . 1 1 105 105 ILE HG12 H 1 1.458 0.030 . 2 . . . . 105 ILE HG12 . 11237 1 1208 . 1 1 105 105 ILE HG13 H 1 1.177 0.030 . 2 . . . . 105 ILE HG13 . 11237 1 1209 . 1 1 105 105 ILE HG21 H 1 0.895 0.030 . 1 . . . . 105 ILE HG2 . 11237 1 1210 . 1 1 105 105 ILE HG22 H 1 0.895 0.030 . 1 . . . . 105 ILE HG2 . 11237 1 1211 . 1 1 105 105 ILE HG23 H 1 0.895 0.030 . 1 . . . . 105 ILE HG2 . 11237 1 1212 . 1 1 105 105 ILE C C 13 176.280 0.300 . 1 . . . . 105 ILE C . 11237 1 1213 . 1 1 105 105 ILE CA C 13 61.410 0.300 . 1 . . . . 105 ILE CA . 11237 1 1214 . 1 1 105 105 ILE CB C 13 38.609 0.300 . 1 . . . . 105 ILE CB . 11237 1 1215 . 1 1 105 105 ILE CD1 C 13 13.005 0.300 . 1 . . . . 105 ILE CD1 . 11237 1 1216 . 1 1 105 105 ILE CG1 C 13 27.199 0.300 . 1 . . . . 105 ILE CG1 . 11237 1 1217 . 1 1 105 105 ILE CG2 C 13 17.458 0.300 . 1 . . . . 105 ILE CG2 . 11237 1 1218 . 1 1 105 105 ILE N N 15 123.025 0.300 . 1 . . . . 105 ILE N . 11237 1 1219 . 1 1 106 106 SER H H 1 8.336 0.030 . 1 . . . . 106 SER H . 11237 1 1220 . 1 1 106 106 SER HA H 1 4.502 0.030 . 1 . . . . 106 SER HA . 11237 1 1221 . 1 1 106 106 SER HB2 H 1 3.856 0.030 . 1 . . . . 106 SER HB2 . 11237 1 1222 . 1 1 106 106 SER HB3 H 1 3.856 0.030 . 1 . . . . 106 SER HB3 . 11237 1 1223 . 1 1 106 106 SER C C 13 174.443 0.300 . 1 . . . . 106 SER C . 11237 1 1224 . 1 1 106 106 SER CA C 13 58.274 0.300 . 1 . . . . 106 SER CA . 11237 1 1225 . 1 1 106 106 SER CB C 13 63.926 0.300 . 1 . . . . 106 SER CB . 11237 1 1226 . 1 1 106 106 SER N N 15 119.322 0.300 . 1 . . . . 106 SER N . 11237 1 1227 . 1 1 107 107 GLY H H 1 8.209 0.030 . 1 . . . . 107 GLY H . 11237 1 1228 . 1 1 107 107 GLY HA2 H 1 4.139 0.030 . 2 . . . . 107 GLY HA2 . 11237 1 1229 . 1 1 107 107 GLY HA3 H 1 4.112 0.030 . 2 . . . . 107 GLY HA3 . 11237 1 1230 . 1 1 107 107 GLY C C 13 171.720 0.300 . 1 . . . . 107 GLY C . 11237 1 1231 . 1 1 107 107 GLY CA C 13 44.638 0.300 . 1 . . . . 107 GLY CA . 11237 1 1232 . 1 1 107 107 GLY N N 15 110.961 0.300 . 1 . . . . 107 GLY N . 11237 1 1233 . 1 1 108 108 PRO HA H 1 4.467 0.030 . 1 . . . . 108 PRO HA . 11237 1 1234 . 1 1 108 108 PRO HB2 H 1 1.978 0.030 . 2 . . . . 108 PRO HB2 . 11237 1 1235 . 1 1 108 108 PRO HB3 H 1 2.291 0.030 . 2 . . . . 108 PRO HB3 . 11237 1 1236 . 1 1 108 108 PRO HD2 H 1 3.626 0.030 . 1 . . . . 108 PRO HD2 . 11237 1 1237 . 1 1 108 108 PRO HD3 H 1 3.626 0.030 . 1 . . . . 108 PRO HD3 . 11237 1 1238 . 1 1 108 108 PRO HG2 H 1 2.025 0.030 . 1 . . . . 108 PRO HG2 . 11237 1 1239 . 1 1 108 108 PRO HG3 H 1 2.025 0.030 . 1 . . . . 108 PRO HG3 . 11237 1 1240 . 1 1 108 108 PRO C C 13 177.392 0.300 . 1 . . . . 108 PRO C . 11237 1 1241 . 1 1 108 108 PRO CA C 13 63.270 0.300 . 1 . . . . 108 PRO CA . 11237 1 1242 . 1 1 108 108 PRO CB C 13 32.166 0.300 . 1 . . . . 108 PRO CB . 11237 1 1243 . 1 1 108 108 PRO CD C 13 49.748 0.300 . 1 . . . . 108 PRO CD . 11237 1 1244 . 1 1 108 108 PRO CG C 13 27.192 0.300 . 1 . . . . 108 PRO CG . 11237 1 1245 . 1 1 109 109 SER H H 1 8.536 0.030 . 1 . . . . 109 SER H . 11237 1 1246 . 1 1 109 109 SER HA H 1 4.501 0.030 . 1 . . . . 109 SER HA . 11237 1 1247 . 1 1 109 109 SER HB2 H 1 3.899 0.030 . 1 . . . . 109 SER HB2 . 11237 1 1248 . 1 1 109 109 SER HB3 H 1 3.899 0.030 . 1 . . . . 109 SER HB3 . 11237 1 1249 . 1 1 109 109 SER C C 13 174.654 0.300 . 1 . . . . 109 SER C . 11237 1 1250 . 1 1 109 109 SER CA C 13 58.271 0.300 . 1 . . . . 109 SER CA . 11237 1 1251 . 1 1 109 109 SER CB C 13 63.843 0.300 . 1 . . . . 109 SER CB . 11237 1 1252 . 1 1 109 109 SER N N 15 116.397 0.300 . 1 . . . . 109 SER N . 11237 1 1253 . 1 1 110 110 SER H H 1 8.339 0.030 . 1 . . . . 110 SER H . 11237 1 1254 . 1 1 110 110 SER HA H 1 4.470 0.030 . 1 . . . . 110 SER HA . 11237 1 1255 . 1 1 110 110 SER HB2 H 1 3.885 0.030 . 1 . . . . 110 SER HB2 . 11237 1 1256 . 1 1 110 110 SER HB3 H 1 3.885 0.030 . 1 . . . . 110 SER HB3 . 11237 1 1257 . 1 1 110 110 SER C C 13 173.924 0.300 . 1 . . . . 110 SER C . 11237 1 1258 . 1 1 110 110 SER CA C 13 58.550 0.300 . 1 . . . . 110 SER CA . 11237 1 1259 . 1 1 110 110 SER CB C 13 63.862 0.300 . 1 . . . . 110 SER CB . 11237 1 1260 . 1 1 110 110 SER N N 15 117.874 0.300 . 1 . . . . 110 SER N . 11237 1 1261 . 1 1 111 111 GLY H H 1 8.063 0.030 . 1 . . . . 111 GLY H . 11237 1 1262 . 1 1 111 111 GLY HA2 H 1 3.793 0.030 . 2 . . . . 111 GLY HA2 . 11237 1 1263 . 1 1 111 111 GLY HA3 H 1 3.742 0.030 . 2 . . . . 111 GLY HA3 . 11237 1 1264 . 1 1 111 111 GLY C C 13 178.999 0.300 . 1 . . . . 111 GLY C . 11237 1 1265 . 1 1 111 111 GLY CA C 13 46.033 0.300 . 1 . . . . 111 GLY CA . 11237 1 1266 . 1 1 111 111 GLY N N 15 116.882 0.300 . 1 . . . . 111 GLY N . 11237 1 stop_ save_