data_11308 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11308 _Entry.Title ; Solution structure of the C2H2 zinc finger domain of the protein arginine N-methyltransferase 3 from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 K. Miyamoto . . . 11308 2 T. Tomizawa . . . 11308 3 S. Koshiba . . . 11308 4 M. Inoue . . . 11308 5 T. Kigawa . . . 11308 6 S. Yokoyama . . . 11308 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)' . 11308 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11308 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 11308 '15N chemical shifts' 112 11308 '1H chemical shifts' 809 11308 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 . . 2011-08-19 2010-08-10 original author . 11308 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WIR 'BMRB Entry Tracking System' 11308 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11308 _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 C2H2 zinc finger domain of the protein arginine N-methyltransferase 3 from Mus musculus ; _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 K. Miyamoto . . . 11308 1 2 T. Tomizawa . . . 11308 1 3 S. Koshiba . . . 11308 1 4 M. Inoue . . . 11308 1 5 T. Kigawa . . . 11308 1 6 S. Yokoyama . . . 11308 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11308 _Assembly.ID 1 _Assembly.Name 'Protein arginine N-methyltransferase 3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _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 'C2H2 zinc finger domain' 1 $entity_1 A . yes native no no . . . 11308 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11308 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 'C2H2 zinc finger domain' 1 CYS 18 18 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11308 1 2 coordination single . 1 'C2H2 zinc finger domain' 1 CYS 21 21 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11308 1 3 coordination single . 1 'C2H2 zinc finger domain' 1 HIS 34 34 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 34 HIS NE2 . . . . ZN 11308 1 4 coordination single . 1 'C2H2 zinc finger domain' 1 HIS 39 39 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 39 HIS NE2 . . . . ZN 11308 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 34 34 HE2 . 34 HIS HE2 11308 1 . . 1 1 HIS 39 39 HE2 . 39 HIS HE2 11308 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11308 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11308 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 1wir . . . . . . 11308 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11308 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 zinc finger 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 ; GSSGSSGEPAHGRQHTPCLF CDRLFASAEETFSHCKLEHQ FNIDSMVHKHGLEFYGYIKL INFIRLKNPTVEYMNSIYNP VPWEKDEYLKPVLEDDLLLQ FDVEDLYEPVSTPFSSGPSS G ; _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 121 _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 1WIR . "Solution Structure Of The C2h2 Zinc Finger Domain Of The Protein Arginine N-methyltransferase 3 From Mus Musculus" . . . . . 100.00 121 100.00 100.00 1.31e-83 . . . . 11308 1 2 no DBJ BAC25300 . "unnamed protein product [Mus musculus]" . . . . . 89.26 418 100.00 100.00 8.30e-73 . . . . 11308 1 3 no DBJ BAC27531 . "unnamed protein product [Mus musculus]" . . . . . 91.74 528 97.30 98.20 1.08e-71 . . . . 11308 1 4 no DBJ BAC39708 . "unnamed protein product [Mus musculus]" . . . . . 91.74 528 97.30 98.20 1.08e-71 . . . . 11308 1 5 no DBJ BAG60456 . "unnamed protein product [Homo sapiens]" . . . . . 57.85 454 97.14 98.57 4.32e-39 . . . . 11308 1 6 no GB AAH50775 . "Prmt3 protein [Mus musculus]" . . . . . 89.26 532 100.00 100.00 1.26e-71 . . . . 11308 1 7 no GB AAN84530 . "protein arginine methyltransferase 3 [Mus musculus]" . . . . . 91.74 528 97.30 98.20 1.08e-71 . . . . 11308 1 8 no GB EAW68334 . "protein arginine methyltransferase 3, isoform CRA_b [Homo sapiens]" . . . . . 57.85 454 97.14 98.57 4.23e-39 . . . . 11308 1 9 no GB EDL22978 . "protein arginine N-methyltransferase 3, partial [Mus musculus]" . . . . . 89.26 571 100.00 100.00 1.75e-71 . . . . 11308 1 10 no GB ERE78768 . "oxidoreductase HTATIP2-like isoform 1, partial [Cricetulus griseus]" . . . . . 76.03 476 97.83 100.00 1.30e-56 . . . . 11308 1 11 no REF NP_001138639 . "protein arginine N-methyltransferase 3 isoform 3 [Homo sapiens]" . . . . . 57.85 454 97.14 98.57 4.23e-39 . . . . 11308 1 12 no REF NP_598501 . "protein arginine N-methyltransferase 3 [Mus musculus]" . . . . . 91.74 528 97.30 98.20 1.08e-71 . . . . 11308 1 13 no REF XP_003254364 . "PREDICTED: protein arginine N-methyltransferase 3 isoform X4 [Nomascus leucogenys]" . . . . . 57.85 454 97.14 98.57 4.32e-39 . . . . 11308 1 14 no REF XP_004711656 . "PREDICTED: protein arginine N-methyltransferase 3 [Echinops telfairi]" . . . . . 57.85 453 97.14 98.57 4.40e-39 . . . . 11308 1 15 no REF XP_005578451 . "PREDICTED: protein arginine N-methyltransferase 3 isoform X3 [Macaca fascicularis]" . . . . . 57.85 454 97.14 98.57 4.27e-39 . . . . 11308 1 16 no SP Q922H1 . "RecName: Full=Protein arginine N-methyltransferase 3; AltName: Full=Heterogeneous nuclear ribonucleoprotein methyltransferase-l" . . . . . 89.26 532 100.00 100.00 1.26e-71 . . . . 11308 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 zinc finger domain' . 11308 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 . 11308 1 2 . SER . 11308 1 3 . SER . 11308 1 4 . GLY . 11308 1 5 . SER . 11308 1 6 . SER . 11308 1 7 . GLY . 11308 1 8 . GLU . 11308 1 9 . PRO . 11308 1 10 . ALA . 11308 1 11 . HIS . 11308 1 12 . GLY . 11308 1 13 . ARG . 11308 1 14 . GLN . 11308 1 15 . HIS . 11308 1 16 . THR . 11308 1 17 . PRO . 11308 1 18 . CYS . 11308 1 19 . LEU . 11308 1 20 . PHE . 11308 1 21 . CYS . 11308 1 22 . ASP . 11308 1 23 . ARG . 11308 1 24 . LEU . 11308 1 25 . PHE . 11308 1 26 . ALA . 11308 1 27 . SER . 11308 1 28 . ALA . 11308 1 29 . GLU . 11308 1 30 . GLU . 11308 1 31 . THR . 11308 1 32 . PHE . 11308 1 33 . SER . 11308 1 34 . HIS . 11308 1 35 . CYS . 11308 1 36 . LYS . 11308 1 37 . LEU . 11308 1 38 . GLU . 11308 1 39 . HIS . 11308 1 40 . GLN . 11308 1 41 . PHE . 11308 1 42 . ASN . 11308 1 43 . ILE . 11308 1 44 . ASP . 11308 1 45 . SER . 11308 1 46 . MET . 11308 1 47 . VAL . 11308 1 48 . HIS . 11308 1 49 . LYS . 11308 1 50 . HIS . 11308 1 51 . GLY . 11308 1 52 . LEU . 11308 1 53 . GLU . 11308 1 54 . PHE . 11308 1 55 . TYR . 11308 1 56 . GLY . 11308 1 57 . TYR . 11308 1 58 . ILE . 11308 1 59 . LYS . 11308 1 60 . LEU . 11308 1 61 . ILE . 11308 1 62 . ASN . 11308 1 63 . PHE . 11308 1 64 . ILE . 11308 1 65 . ARG . 11308 1 66 . LEU . 11308 1 67 . LYS . 11308 1 68 . ASN . 11308 1 69 . PRO . 11308 1 70 . THR . 11308 1 71 . VAL . 11308 1 72 . GLU . 11308 1 73 . TYR . 11308 1 74 . MET . 11308 1 75 . ASN . 11308 1 76 . SER . 11308 1 77 . ILE . 11308 1 78 . TYR . 11308 1 79 . ASN . 11308 1 80 . PRO . 11308 1 81 . VAL . 11308 1 82 . PRO . 11308 1 83 . TRP . 11308 1 84 . GLU . 11308 1 85 . LYS . 11308 1 86 . ASP . 11308 1 87 . GLU . 11308 1 88 . TYR . 11308 1 89 . LEU . 11308 1 90 . LYS . 11308 1 91 . PRO . 11308 1 92 . VAL . 11308 1 93 . LEU . 11308 1 94 . GLU . 11308 1 95 . ASP . 11308 1 96 . ASP . 11308 1 97 . LEU . 11308 1 98 . LEU . 11308 1 99 . LEU . 11308 1 100 . GLN . 11308 1 101 . PHE . 11308 1 102 . ASP . 11308 1 103 . VAL . 11308 1 104 . GLU . 11308 1 105 . ASP . 11308 1 106 . LEU . 11308 1 107 . TYR . 11308 1 108 . GLU . 11308 1 109 . PRO . 11308 1 110 . VAL . 11308 1 111 . SER . 11308 1 112 . THR . 11308 1 113 . PRO . 11308 1 114 . PHE . 11308 1 115 . SER . 11308 1 116 . SER . 11308 1 117 . GLY . 11308 1 118 . PRO . 11308 1 119 . SER . 11308 1 120 . SER . 11308 1 121 . GLY . 11308 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 11308 1 . SER 2 2 11308 1 . SER 3 3 11308 1 . GLY 4 4 11308 1 . SER 5 5 11308 1 . SER 6 6 11308 1 . GLY 7 7 11308 1 . GLU 8 8 11308 1 . PRO 9 9 11308 1 . ALA 10 10 11308 1 . HIS 11 11 11308 1 . GLY 12 12 11308 1 . ARG 13 13 11308 1 . GLN 14 14 11308 1 . HIS 15 15 11308 1 . THR 16 16 11308 1 . PRO 17 17 11308 1 . CYS 18 18 11308 1 . LEU 19 19 11308 1 . PHE 20 20 11308 1 . CYS 21 21 11308 1 . ASP 22 22 11308 1 . ARG 23 23 11308 1 . LEU 24 24 11308 1 . PHE 25 25 11308 1 . ALA 26 26 11308 1 . SER 27 27 11308 1 . ALA 28 28 11308 1 . GLU 29 29 11308 1 . GLU 30 30 11308 1 . THR 31 31 11308 1 . PHE 32 32 11308 1 . SER 33 33 11308 1 . HIS 34 34 11308 1 . CYS 35 35 11308 1 . LYS 36 36 11308 1 . LEU 37 37 11308 1 . GLU 38 38 11308 1 . HIS 39 39 11308 1 . GLN 40 40 11308 1 . PHE 41 41 11308 1 . ASN 42 42 11308 1 . ILE 43 43 11308 1 . ASP 44 44 11308 1 . SER 45 45 11308 1 . MET 46 46 11308 1 . VAL 47 47 11308 1 . HIS 48 48 11308 1 . LYS 49 49 11308 1 . HIS 50 50 11308 1 . GLY 51 51 11308 1 . LEU 52 52 11308 1 . GLU 53 53 11308 1 . PHE 54 54 11308 1 . TYR 55 55 11308 1 . GLY 56 56 11308 1 . TYR 57 57 11308 1 . ILE 58 58 11308 1 . LYS 59 59 11308 1 . LEU 60 60 11308 1 . ILE 61 61 11308 1 . ASN 62 62 11308 1 . PHE 63 63 11308 1 . ILE 64 64 11308 1 . ARG 65 65 11308 1 . LEU 66 66 11308 1 . LYS 67 67 11308 1 . ASN 68 68 11308 1 . PRO 69 69 11308 1 . THR 70 70 11308 1 . VAL 71 71 11308 1 . GLU 72 72 11308 1 . TYR 73 73 11308 1 . MET 74 74 11308 1 . ASN 75 75 11308 1 . SER 76 76 11308 1 . ILE 77 77 11308 1 . TYR 78 78 11308 1 . ASN 79 79 11308 1 . PRO 80 80 11308 1 . VAL 81 81 11308 1 . PRO 82 82 11308 1 . TRP 83 83 11308 1 . GLU 84 84 11308 1 . LYS 85 85 11308 1 . ASP 86 86 11308 1 . GLU 87 87 11308 1 . TYR 88 88 11308 1 . LEU 89 89 11308 1 . LYS 90 90 11308 1 . PRO 91 91 11308 1 . VAL 92 92 11308 1 . LEU 93 93 11308 1 . GLU 94 94 11308 1 . ASP 95 95 11308 1 . ASP 96 96 11308 1 . LEU 97 97 11308 1 . LEU 98 98 11308 1 . LEU 99 99 11308 1 . GLN 100 100 11308 1 . PHE 101 101 11308 1 . ASP 102 102 11308 1 . VAL 103 103 11308 1 . GLU 104 104 11308 1 . ASP 105 105 11308 1 . LEU 106 106 11308 1 . TYR 107 107 11308 1 . GLU 108 108 11308 1 . PRO 109 109 11308 1 . VAL 110 110 11308 1 . SER 111 111 11308 1 . THR 112 112 11308 1 . PRO 113 113 11308 1 . PHE 114 114 11308 1 . SER 115 115 11308 1 . SER 116 116 11308 1 . GLY 117 117 11308 1 . PRO 118 118 11308 1 . SER 119 119 11308 1 . SER 120 120 11308 1 . GLY 121 121 11308 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11308 _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 . 11308 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 11308 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11308 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 11308 _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 . . . . . . . . . . . . . plasmid . . P040126-40 . . . . . . 11308 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 11308 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on 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 11308 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11308 ZN [Zn++] SMILES CACTVS 3.341 11308 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11308 ZN [Zn+2] SMILES ACDLabs 10.04 11308 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11308 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11308 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 11308 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11308 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11308 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11308 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM C2H2 zinc finger domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZnCl2;} 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 'C2H2 zinc finger domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11308 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11308 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11308 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11308 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11308 1 6 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11308 1 7 H2O . . . . . . solvent 90 . . % . . . . 11308 1 8 D2O . . . . . . solvent 10 . . % . . . . 11308 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 11308 _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 11308 1 pH 7.0 0.05 pH 11308 1 pressure 1 0.001 atm 11308 1 temperature 296 0.1 K 11308 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11308 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11308 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11308 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11308 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11308 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11308 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11308 _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.' . . 11308 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11308 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11308 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11308 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11308 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11308 _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.' . . 11308 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11308 5 'structure solution' 11308 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 11308 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ 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 11308 _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 Bruker AVANCE . 800 . . . 11308 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 11308 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11308 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11308 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 11308 _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 . . . . . . . . . 11308 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11308 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11308 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 11308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11308 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11308 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 $XWINNMR . . 11308 1 2 $NMRPipe . . 11308 1 3 $NMRView . . 11308 1 4 $Kujira . . 11308 1 5 $CYANA . . 11308 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 7 7 GLY HA2 H 1 3.961 0.030 . 1 . . . . 7 GLY HA2 . 11308 1 2 . 1 1 7 7 GLY HA3 H 1 3.961 0.030 . 1 . . . . 7 GLY HA3 . 11308 1 3 . 1 1 7 7 GLY CA C 13 45.082 0.300 . 1 . . . . 7 GLY CA . 11308 1 4 . 1 1 8 8 GLU H H 1 8.199 0.030 . 1 . . . . 8 GLU H . 11308 1 5 . 1 1 8 8 GLU HA H 1 4.568 0.030 . 1 . . . . 8 GLU HA . 11308 1 6 . 1 1 8 8 GLU HB2 H 1 1.864 0.030 . 2 . . . . 8 GLU HB2 . 11308 1 7 . 1 1 8 8 GLU HB3 H 1 2.010 0.030 . 2 . . . . 8 GLU HB3 . 11308 1 8 . 1 1 8 8 GLU HG2 H 1 2.273 0.030 . 1 . . . . 8 GLU HG2 . 11308 1 9 . 1 1 8 8 GLU HG3 H 1 2.273 0.030 . 1 . . . . 8 GLU HG3 . 11308 1 10 . 1 1 8 8 GLU CA C 13 54.162 0.300 . 1 . . . . 8 GLU CA . 11308 1 11 . 1 1 8 8 GLU CB C 13 29.607 0.300 . 1 . . . . 8 GLU CB . 11308 1 12 . 1 1 8 8 GLU CG C 13 35.988 0.300 . 1 . . . . 8 GLU CG . 11308 1 13 . 1 1 8 8 GLU N N 15 121.908 0.300 . 1 . . . . 8 GLU N . 11308 1 14 . 1 1 9 9 PRO HA H 1 4.367 0.030 . 1 . . . . 9 PRO HA . 11308 1 15 . 1 1 9 9 PRO HB2 H 1 1.725 0.030 . 2 . . . . 9 PRO HB2 . 11308 1 16 . 1 1 9 9 PRO HB3 H 1 1.790 0.030 . 2 . . . . 9 PRO HB3 . 11308 1 17 . 1 1 9 9 PRO HD2 H 1 3.643 0.030 . 2 . . . . 9 PRO HD2 . 11308 1 18 . 1 1 9 9 PRO HD3 H 1 3.809 0.030 . 2 . . . . 9 PRO HD3 . 11308 1 19 . 1 1 9 9 PRO HG2 H 1 1.975 0.030 . 1 . . . . 9 PRO HG2 . 11308 1 20 . 1 1 9 9 PRO HG3 H 1 1.975 0.030 . 1 . . . . 9 PRO HG3 . 11308 1 21 . 1 1 9 9 PRO C C 13 176.735 0.300 . 1 . . . . 9 PRO C . 11308 1 22 . 1 1 9 9 PRO CA C 13 63.124 0.300 . 1 . . . . 9 PRO CA . 11308 1 23 . 1 1 9 9 PRO CB C 13 31.816 0.300 . 1 . . . . 9 PRO CB . 11308 1 24 . 1 1 9 9 PRO CD C 13 50.634 0.300 . 1 . . . . 9 PRO CD . 11308 1 25 . 1 1 9 9 PRO CG C 13 27.433 0.300 . 1 . . . . 9 PRO CG . 11308 1 26 . 1 1 10 10 ALA H H 1 8.440 0.030 . 1 . . . . 10 ALA H . 11308 1 27 . 1 1 10 10 ALA HA H 1 4.224 0.030 . 1 . . . . 10 ALA HA . 11308 1 28 . 1 1 10 10 ALA HB1 H 1 1.324 0.030 . 1 . . . . 10 ALA HB . 11308 1 29 . 1 1 10 10 ALA HB2 H 1 1.324 0.030 . 1 . . . . 10 ALA HB . 11308 1 30 . 1 1 10 10 ALA HB3 H 1 1.324 0.030 . 1 . . . . 10 ALA HB . 11308 1 31 . 1 1 10 10 ALA C C 13 177.707 0.300 . 1 . . . . 10 ALA C . 11308 1 32 . 1 1 10 10 ALA CA C 13 52.588 0.300 . 1 . . . . 10 ALA CA . 11308 1 33 . 1 1 10 10 ALA CB C 13 19.077 0.300 . 1 . . . . 10 ALA CB . 11308 1 34 . 1 1 10 10 ALA N N 15 124.221 0.300 . 1 . . . . 10 ALA N . 11308 1 35 . 1 1 11 11 HIS H H 1 8.211 0.030 . 1 . . . . 11 HIS H . 11308 1 36 . 1 1 11 11 HIS HA H 1 4.623 0.030 . 1 . . . . 11 HIS HA . 11308 1 37 . 1 1 11 11 HIS HB2 H 1 3.113 0.030 . 2 . . . . 11 HIS HB2 . 11308 1 38 . 1 1 11 11 HIS HB3 H 1 3.180 0.030 . 2 . . . . 11 HIS HB3 . 11308 1 39 . 1 1 11 11 HIS HD2 H 1 7.102 0.030 . 1 . . . . 11 HIS HD2 . 11308 1 40 . 1 1 11 11 HIS HE1 H 1 8.052 0.030 . 1 . . . . 11 HIS HE1 . 11308 1 41 . 1 1 11 11 HIS C C 13 175.805 0.300 . 1 . . . . 11 HIS C . 11308 1 42 . 1 1 11 11 HIS CA C 13 55.982 0.300 . 1 . . . . 11 HIS CA . 11308 1 43 . 1 1 11 11 HIS CB C 13 30.417 0.300 . 1 . . . . 11 HIS CB . 11308 1 44 . 1 1 11 11 HIS CD2 C 13 120.049 0.300 . 1 . . . . 11 HIS CD2 . 11308 1 45 . 1 1 11 11 HIS CE1 C 13 137.904 0.300 . 1 . . . . 11 HIS CE1 . 11308 1 46 . 1 1 11 11 HIS N N 15 117.914 0.300 . 1 . . . . 11 HIS N . 11308 1 47 . 1 1 12 12 GLY H H 1 8.365 0.030 . 1 . . . . 12 GLY H . 11308 1 48 . 1 1 12 12 GLY HA2 H 1 3.951 0.030 . 1 . . . . 12 GLY HA2 . 11308 1 49 . 1 1 12 12 GLY HA3 H 1 3.951 0.030 . 1 . . . . 12 GLY HA3 . 11308 1 50 . 1 1 12 12 GLY C C 13 173.924 0.300 . 1 . . . . 12 GLY C . 11308 1 51 . 1 1 12 12 GLY CA C 13 45.302 0.300 . 1 . . . . 12 GLY CA . 11308 1 52 . 1 1 12 12 GLY N N 15 109.958 0.300 . 1 . . . . 12 GLY N . 11308 1 53 . 1 1 13 13 ARG H H 1 8.308 0.030 . 1 . . . . 13 ARG H . 11308 1 54 . 1 1 13 13 ARG HA H 1 4.360 0.030 . 1 . . . . 13 ARG HA . 11308 1 55 . 1 1 13 13 ARG HB2 H 1 1.769 0.030 . 2 . . . . 13 ARG HB2 . 11308 1 56 . 1 1 13 13 ARG HB3 H 1 1.872 0.030 . 2 . . . . 13 ARG HB3 . 11308 1 57 . 1 1 13 13 ARG HD2 H 1 3.215 0.030 . 1 . . . . 13 ARG HD2 . 11308 1 58 . 1 1 13 13 ARG HD3 H 1 3.215 0.030 . 1 . . . . 13 ARG HD3 . 11308 1 59 . 1 1 13 13 ARG HG2 H 1 1.629 0.030 . 1 . . . . 13 ARG HG2 . 11308 1 60 . 1 1 13 13 ARG HG3 H 1 1.629 0.030 . 1 . . . . 13 ARG HG3 . 11308 1 61 . 1 1 13 13 ARG C C 13 176.196 0.300 . 1 . . . . 13 ARG C . 11308 1 62 . 1 1 13 13 ARG CA C 13 56.031 0.300 . 1 . . . . 13 ARG CA . 11308 1 63 . 1 1 13 13 ARG CB C 13 31.000 0.300 . 1 . . . . 13 ARG CB . 11308 1 64 . 1 1 13 13 ARG CD C 13 43.398 0.300 . 1 . . . . 13 ARG CD . 11308 1 65 . 1 1 13 13 ARG CG C 13 27.095 0.300 . 1 . . . . 13 ARG CG . 11308 1 66 . 1 1 13 13 ARG N N 15 120.344 0.300 . 1 . . . . 13 ARG N . 11308 1 67 . 1 1 14 14 GLN H H 1 8.529 0.030 . 1 . . . . 14 GLN H . 11308 1 68 . 1 1 14 14 GLN HA H 1 4.306 0.030 . 1 . . . . 14 GLN HA . 11308 1 69 . 1 1 14 14 GLN HB2 H 1 2.015 0.030 . 2 . . . . 14 GLN HB2 . 11308 1 70 . 1 1 14 14 GLN HB3 H 1 1.960 0.030 . 2 . . . . 14 GLN HB3 . 11308 1 71 . 1 1 14 14 GLN HE21 H 1 7.527 0.030 . 2 . . . . 14 GLN HE21 . 11308 1 72 . 1 1 14 14 GLN HE22 H 1 6.889 0.030 . 2 . . . . 14 GLN HE22 . 11308 1 73 . 1 1 14 14 GLN HG2 H 1 2.343 0.030 . 1 . . . . 14 GLN HG2 . 11308 1 74 . 1 1 14 14 GLN HG3 H 1 2.343 0.030 . 1 . . . . 14 GLN HG3 . 11308 1 75 . 1 1 14 14 GLN C C 13 174.823 0.300 . 1 . . . . 14 GLN C . 11308 1 76 . 1 1 14 14 GLN CA C 13 55.842 0.300 . 1 . . . . 14 GLN CA . 11308 1 77 . 1 1 14 14 GLN CB C 13 29.538 0.300 . 1 . . . . 14 GLN CB . 11308 1 78 . 1 1 14 14 GLN CG C 13 33.876 0.300 . 1 . . . . 14 GLN CG . 11308 1 79 . 1 1 14 14 GLN N N 15 122.129 0.300 . 1 . . . . 14 GLN N . 11308 1 80 . 1 1 14 14 GLN NE2 N 15 112.662 0.300 . 1 . . . . 14 GLN NE2 . 11308 1 81 . 1 1 15 15 HIS H H 1 8.170 0.030 . 1 . . . . 15 HIS H . 11308 1 82 . 1 1 15 15 HIS HA H 1 5.044 0.030 . 1 . . . . 15 HIS HA . 11308 1 83 . 1 1 15 15 HIS HB2 H 1 2.825 0.030 . 2 . . . . 15 HIS HB2 . 11308 1 84 . 1 1 15 15 HIS HB3 H 1 2.955 0.030 . 2 . . . . 15 HIS HB3 . 11308 1 85 . 1 1 15 15 HIS HD2 H 1 6.646 0.030 . 1 . . . . 15 HIS HD2 . 11308 1 86 . 1 1 15 15 HIS HE1 H 1 7.806 0.030 . 1 . . . . 15 HIS HE1 . 11308 1 87 . 1 1 15 15 HIS C C 13 174.639 0.300 . 1 . . . . 15 HIS C . 11308 1 88 . 1 1 15 15 HIS CA C 13 55.054 0.300 . 1 . . . . 15 HIS CA . 11308 1 89 . 1 1 15 15 HIS CB C 13 33.220 0.300 . 1 . . . . 15 HIS CB . 11308 1 90 . 1 1 15 15 HIS CD2 C 13 120.459 0.300 . 1 . . . . 15 HIS CD2 . 11308 1 91 . 1 1 15 15 HIS CE1 C 13 138.214 0.300 . 1 . . . . 15 HIS CE1 . 11308 1 92 . 1 1 15 15 HIS N N 15 118.509 0.300 . 1 . . . . 15 HIS N . 11308 1 93 . 1 1 16 16 THR H H 1 9.151 0.030 . 1 . . . . 16 THR H . 11308 1 94 . 1 1 16 16 THR HA H 1 5.063 0.030 . 1 . . . . 16 THR HA . 11308 1 95 . 1 1 16 16 THR HB H 1 3.846 0.030 . 1 . . . . 16 THR HB . 11308 1 96 . 1 1 16 16 THR HG21 H 1 0.978 0.030 . 1 . . . . 16 THR HG2 . 11308 1 97 . 1 1 16 16 THR HG22 H 1 0.978 0.030 . 1 . . . . 16 THR HG2 . 11308 1 98 . 1 1 16 16 THR HG23 H 1 0.978 0.030 . 1 . . . . 16 THR HG2 . 11308 1 99 . 1 1 16 16 THR C C 13 174.639 0.300 . 1 . . . . 16 THR C . 11308 1 100 . 1 1 16 16 THR CA C 13 58.670 0.300 . 1 . . . . 16 THR CA . 11308 1 101 . 1 1 16 16 THR CB C 13 72.556 0.300 . 1 . . . . 16 THR CB . 11308 1 102 . 1 1 16 16 THR CG2 C 13 20.541 0.300 . 1 . . . . 16 THR CG2 . 11308 1 103 . 1 1 16 16 THR N N 15 118.122 0.300 . 1 . . . . 16 THR N . 11308 1 104 . 1 1 17 17 PRO HA H 1 5.190 0.030 . 1 . . . . 17 PRO HA . 11308 1 105 . 1 1 17 17 PRO HB2 H 1 2.042 0.030 . 2 . . . . 17 PRO HB2 . 11308 1 106 . 1 1 17 17 PRO HB3 H 1 2.164 0.030 . 2 . . . . 17 PRO HB3 . 11308 1 107 . 1 1 17 17 PRO HD2 H 1 3.798 0.030 . 2 . . . . 17 PRO HD2 . 11308 1 108 . 1 1 17 17 PRO HD3 H 1 3.730 0.030 . 2 . . . . 17 PRO HD3 . 11308 1 109 . 1 1 17 17 PRO HG2 H 1 1.904 0.030 . 1 . . . . 17 PRO HG2 . 11308 1 110 . 1 1 17 17 PRO HG3 H 1 1.904 0.030 . 1 . . . . 17 PRO HG3 . 11308 1 111 . 1 1 17 17 PRO C C 13 177.251 0.300 . 1 . . . . 17 PRO C . 11308 1 112 . 1 1 17 17 PRO CA C 13 61.667 0.300 . 1 . . . . 17 PRO CA . 11308 1 113 . 1 1 17 17 PRO CB C 13 31.777 0.300 . 1 . . . . 17 PRO CB . 11308 1 114 . 1 1 17 17 PRO CD C 13 51.692 0.300 . 1 . . . . 17 PRO CD . 11308 1 115 . 1 1 17 17 PRO CG C 13 27.215 0.300 . 1 . . . . 17 PRO CG . 11308 1 116 . 1 1 18 18 CYS H H 1 8.655 0.030 . 1 . . . . 18 CYS H . 11308 1 117 . 1 1 18 18 CYS HA H 1 3.906 0.030 . 1 . . . . 18 CYS HA . 11308 1 118 . 1 1 18 18 CYS HB2 H 1 3.371 0.030 . 2 . . . . 18 CYS HB2 . 11308 1 119 . 1 1 18 18 CYS HB3 H 1 3.070 0.030 . 2 . . . . 18 CYS HB3 . 11308 1 120 . 1 1 18 18 CYS C C 13 173.525 0.300 . 1 . . . . 18 CYS C . 11308 1 121 . 1 1 18 18 CYS CA C 13 60.233 0.300 . 1 . . . . 18 CYS CA . 11308 1 122 . 1 1 18 18 CYS CB C 13 29.135 0.300 . 1 . . . . 18 CYS CB . 11308 1 123 . 1 1 18 18 CYS N N 15 121.978 0.300 . 1 . . . . 18 CYS N . 11308 1 124 . 1 1 19 19 LEU H H 1 6.044 0.030 . 1 . . . . 19 LEU H . 11308 1 125 . 1 1 19 19 LEU HA H 1 3.728 0.030 . 1 . . . . 19 LEU HA . 11308 1 126 . 1 1 19 19 LEU HB2 H 1 1.023 0.030 . 2 . . . . 19 LEU HB2 . 11308 1 127 . 1 1 19 19 LEU HB3 H 1 0.423 0.030 . 2 . . . . 19 LEU HB3 . 11308 1 128 . 1 1 19 19 LEU HD11 H 1 0.579 0.030 . 1 . . . . 19 LEU HD1 . 11308 1 129 . 1 1 19 19 LEU HD12 H 1 0.579 0.030 . 1 . . . . 19 LEU HD1 . 11308 1 130 . 1 1 19 19 LEU HD13 H 1 0.579 0.030 . 1 . . . . 19 LEU HD1 . 11308 1 131 . 1 1 19 19 LEU HD21 H 1 0.806 0.030 . 1 . . . . 19 LEU HD2 . 11308 1 132 . 1 1 19 19 LEU HD22 H 1 0.806 0.030 . 1 . . . . 19 LEU HD2 . 11308 1 133 . 1 1 19 19 LEU HD23 H 1 0.806 0.030 . 1 . . . . 19 LEU HD2 . 11308 1 134 . 1 1 19 19 LEU HG H 1 1.326 0.030 . 1 . . . . 19 LEU HG . 11308 1 135 . 1 1 19 19 LEU C C 13 177.528 0.300 . 1 . . . . 19 LEU C . 11308 1 136 . 1 1 19 19 LEU CA C 13 56.686 0.300 . 1 . . . . 19 LEU CA . 11308 1 137 . 1 1 19 19 LEU CB C 13 45.244 0.300 . 1 . . . . 19 LEU CB . 11308 1 138 . 1 1 19 19 LEU CD1 C 13 21.437 0.300 . 2 . . . . 19 LEU CD1 . 11308 1 139 . 1 1 19 19 LEU CD2 C 13 25.695 0.300 . 2 . . . . 19 LEU CD2 . 11308 1 140 . 1 1 19 19 LEU CG C 13 26.907 0.300 . 1 . . . . 19 LEU CG . 11308 1 141 . 1 1 19 19 LEU N N 15 125.771 0.300 . 1 . . . . 19 LEU N . 11308 1 142 . 1 1 20 20 PHE H H 1 9.745 0.030 . 1 . . . . 20 PHE H . 11308 1 143 . 1 1 20 20 PHE HA H 1 4.540 0.030 . 1 . . . . 20 PHE HA . 11308 1 144 . 1 1 20 20 PHE HB2 H 1 2.921 0.030 . 2 . . . . 20 PHE HB2 . 11308 1 145 . 1 1 20 20 PHE HB3 H 1 0.973 0.030 . 2 . . . . 20 PHE HB3 . 11308 1 146 . 1 1 20 20 PHE HD1 H 1 6.972 0.030 . 1 . . . . 20 PHE HD1 . 11308 1 147 . 1 1 20 20 PHE HD2 H 1 6.972 0.030 . 1 . . . . 20 PHE HD2 . 11308 1 148 . 1 1 20 20 PHE HE1 H 1 6.363 0.030 . 1 . . . . 20 PHE HE1 . 11308 1 149 . 1 1 20 20 PHE HE2 H 1 6.363 0.030 . 1 . . . . 20 PHE HE2 . 11308 1 150 . 1 1 20 20 PHE HZ H 1 5.889 0.030 . 1 . . . . 20 PHE HZ . 11308 1 151 . 1 1 20 20 PHE C C 13 174.281 0.300 . 1 . . . . 20 PHE C . 11308 1 152 . 1 1 20 20 PHE CA C 13 57.831 0.300 . 1 . . . . 20 PHE CA . 11308 1 153 . 1 1 20 20 PHE CB C 13 40.317 0.300 . 1 . . . . 20 PHE CB . 11308 1 154 . 1 1 20 20 PHE CD1 C 13 132.440 0.300 . 1 . . . . 20 PHE CD1 . 11308 1 155 . 1 1 20 20 PHE CD2 C 13 132.440 0.300 . 1 . . . . 20 PHE CD2 . 11308 1 156 . 1 1 20 20 PHE CE1 C 13 130.865 0.300 . 1 . . . . 20 PHE CE1 . 11308 1 157 . 1 1 20 20 PHE CE2 C 13 130.865 0.300 . 1 . . . . 20 PHE CE2 . 11308 1 158 . 1 1 20 20 PHE CZ C 13 127.707 0.300 . 1 . . . . 20 PHE CZ . 11308 1 159 . 1 1 20 20 PHE N N 15 118.103 0.300 . 1 . . . . 20 PHE N . 11308 1 160 . 1 1 21 21 CYS H H 1 7.516 0.030 . 1 . . . . 21 CYS H . 11308 1 161 . 1 1 21 21 CYS HA H 1 4.936 0.030 . 1 . . . . 21 CYS HA . 11308 1 162 . 1 1 21 21 CYS HB2 H 1 3.382 0.030 . 2 . . . . 21 CYS HB2 . 11308 1 163 . 1 1 21 21 CYS HB3 H 1 3.429 0.030 . 2 . . . . 21 CYS HB3 . 11308 1 164 . 1 1 21 21 CYS C C 13 172.385 0.300 . 1 . . . . 21 CYS C . 11308 1 165 . 1 1 21 21 CYS CA C 13 58.664 0.300 . 1 . . . . 21 CYS CA . 11308 1 166 . 1 1 21 21 CYS CB C 13 30.143 0.300 . 1 . . . . 21 CYS CB . 11308 1 167 . 1 1 21 21 CYS N N 15 118.217 0.300 . 1 . . . . 21 CYS N . 11308 1 168 . 1 1 22 22 ASP H H 1 8.073 0.030 . 1 . . . . 22 ASP H . 11308 1 169 . 1 1 22 22 ASP HA H 1 4.660 0.030 . 1 . . . . 22 ASP HA . 11308 1 170 . 1 1 22 22 ASP HB2 H 1 2.692 0.030 . 2 . . . . 22 ASP HB2 . 11308 1 171 . 1 1 22 22 ASP HB3 H 1 2.760 0.030 . 2 . . . . 22 ASP HB3 . 11308 1 172 . 1 1 22 22 ASP C C 13 177.088 0.300 . 1 . . . . 22 ASP C . 11308 1 173 . 1 1 22 22 ASP CA C 13 53.821 0.300 . 1 . . . . 22 ASP CA . 11308 1 174 . 1 1 22 22 ASP CB C 13 40.897 0.300 . 1 . . . . 22 ASP CB . 11308 1 175 . 1 1 22 22 ASP N N 15 113.860 0.300 . 1 . . . . 22 ASP N . 11308 1 176 . 1 1 23 23 ARG H H 1 8.485 0.030 . 1 . . . . 23 ARG H . 11308 1 177 . 1 1 23 23 ARG HA H 1 3.843 0.030 . 1 . . . . 23 ARG HA . 11308 1 178 . 1 1 23 23 ARG HB2 H 1 1.316 0.030 . 2 . . . . 23 ARG HB2 . 11308 1 179 . 1 1 23 23 ARG HB3 H 1 1.492 0.030 . 2 . . . . 23 ARG HB3 . 11308 1 180 . 1 1 23 23 ARG HD2 H 1 3.200 0.030 . 2 . . . . 23 ARG HD2 . 11308 1 181 . 1 1 23 23 ARG HD3 H 1 2.886 0.030 . 2 . . . . 23 ARG HD3 . 11308 1 182 . 1 1 23 23 ARG HG2 H 1 1.893 0.030 . 2 . . . . 23 ARG HG2 . 11308 1 183 . 1 1 23 23 ARG HG3 H 1 1.441 0.030 . 2 . . . . 23 ARG HG3 . 11308 1 184 . 1 1 23 23 ARG C C 13 173.739 0.300 . 1 . . . . 23 ARG C . 11308 1 185 . 1 1 23 23 ARG CA C 13 57.860 0.300 . 1 . . . . 23 ARG CA . 11308 1 186 . 1 1 23 23 ARG CB C 13 31.723 0.300 . 1 . . . . 23 ARG CB . 11308 1 187 . 1 1 23 23 ARG CD C 13 43.902 0.300 . 1 . . . . 23 ARG CD . 11308 1 188 . 1 1 23 23 ARG CG C 13 27.889 0.300 . 1 . . . . 23 ARG CG . 11308 1 189 . 1 1 23 23 ARG N N 15 122.776 0.300 . 1 . . . . 23 ARG N . 11308 1 190 . 1 1 24 24 LEU H H 1 7.595 0.030 . 1 . . . . 24 LEU H . 11308 1 191 . 1 1 24 24 LEU HA H 1 4.776 0.030 . 1 . . . . 24 LEU HA . 11308 1 192 . 1 1 24 24 LEU HB2 H 1 1.413 0.030 . 2 . . . . 24 LEU HB2 . 11308 1 193 . 1 1 24 24 LEU HB3 H 1 0.891 0.030 . 2 . . . . 24 LEU HB3 . 11308 1 194 . 1 1 24 24 LEU HD11 H 1 0.642 0.030 . 1 . . . . 24 LEU HD1 . 11308 1 195 . 1 1 24 24 LEU HD12 H 1 0.642 0.030 . 1 . . . . 24 LEU HD1 . 11308 1 196 . 1 1 24 24 LEU HD13 H 1 0.642 0.030 . 1 . . . . 24 LEU HD1 . 11308 1 197 . 1 1 24 24 LEU HD21 H 1 0.563 0.030 . 1 . . . . 24 LEU HD2 . 11308 1 198 . 1 1 24 24 LEU HD22 H 1 0.563 0.030 . 1 . . . . 24 LEU HD2 . 11308 1 199 . 1 1 24 24 LEU HD23 H 1 0.563 0.030 . 1 . . . . 24 LEU HD2 . 11308 1 200 . 1 1 24 24 LEU HG H 1 1.501 0.030 . 1 . . . . 24 LEU HG . 11308 1 201 . 1 1 24 24 LEU C C 13 176.916 0.300 . 1 . . . . 24 LEU C . 11308 1 202 . 1 1 24 24 LEU CA C 13 53.282 0.300 . 1 . . . . 24 LEU CA . 11308 1 203 . 1 1 24 24 LEU CB C 13 44.732 0.300 . 1 . . . . 24 LEU CB . 11308 1 204 . 1 1 24 24 LEU CD1 C 13 25.186 0.300 . 2 . . . . 24 LEU CD1 . 11308 1 205 . 1 1 24 24 LEU CD2 C 13 23.110 0.300 . 2 . . . . 24 LEU CD2 . 11308 1 206 . 1 1 24 24 LEU CG C 13 26.662 0.300 . 1 . . . . 24 LEU CG . 11308 1 207 . 1 1 24 24 LEU N N 15 118.118 0.300 . 1 . . . . 24 LEU N . 11308 1 208 . 1 1 25 25 PHE H H 1 8.878 0.030 . 1 . . . . 25 PHE H . 11308 1 209 . 1 1 25 25 PHE HA H 1 4.645 0.030 . 1 . . . . 25 PHE HA . 11308 1 210 . 1 1 25 25 PHE HB2 H 1 2.909 0.030 . 2 . . . . 25 PHE HB2 . 11308 1 211 . 1 1 25 25 PHE HB3 H 1 3.014 0.030 . 2 . . . . 25 PHE HB3 . 11308 1 212 . 1 1 25 25 PHE HD1 H 1 7.079 0.030 . 1 . . . . 25 PHE HD1 . 11308 1 213 . 1 1 25 25 PHE HD2 H 1 7.079 0.030 . 1 . . . . 25 PHE HD2 . 11308 1 214 . 1 1 25 25 PHE HE1 H 1 6.801 0.030 . 1 . . . . 25 PHE HE1 . 11308 1 215 . 1 1 25 25 PHE HE2 H 1 6.801 0.030 . 1 . . . . 25 PHE HE2 . 11308 1 216 . 1 1 25 25 PHE HZ H 1 5.594 0.030 . 1 . . . . 25 PHE HZ . 11308 1 217 . 1 1 25 25 PHE C C 13 175.614 0.300 . 1 . . . . 25 PHE C . 11308 1 218 . 1 1 25 25 PHE CA C 13 57.490 0.300 . 1 . . . . 25 PHE CA . 11308 1 219 . 1 1 25 25 PHE CB C 13 44.473 0.300 . 1 . . . . 25 PHE CB . 11308 1 220 . 1 1 25 25 PHE CD1 C 13 131.867 0.300 . 1 . . . . 25 PHE CD1 . 11308 1 221 . 1 1 25 25 PHE CD2 C 13 131.867 0.300 . 1 . . . . 25 PHE CD2 . 11308 1 222 . 1 1 25 25 PHE CE1 C 13 130.477 0.300 . 1 . . . . 25 PHE CE1 . 11308 1 223 . 1 1 25 25 PHE CE2 C 13 130.477 0.300 . 1 . . . . 25 PHE CE2 . 11308 1 224 . 1 1 25 25 PHE CZ C 13 127.767 0.300 . 1 . . . . 25 PHE CZ . 11308 1 225 . 1 1 25 25 PHE N N 15 118.217 0.300 . 1 . . . . 25 PHE N . 11308 1 226 . 1 1 26 26 ALA H H 1 9.017 0.030 . 1 . . . . 26 ALA H . 11308 1 227 . 1 1 26 26 ALA HA H 1 4.353 0.030 . 1 . . . . 26 ALA HA . 11308 1 228 . 1 1 26 26 ALA HB1 H 1 1.366 0.030 . 1 . . . . 26 ALA HB . 11308 1 229 . 1 1 26 26 ALA HB2 H 1 1.366 0.030 . 1 . . . . 26 ALA HB . 11308 1 230 . 1 1 26 26 ALA HB3 H 1 1.366 0.030 . 1 . . . . 26 ALA HB . 11308 1 231 . 1 1 26 26 ALA C C 13 176.151 0.300 . 1 . . . . 26 ALA C . 11308 1 232 . 1 1 26 26 ALA CA C 13 52.237 0.300 . 1 . . . . 26 ALA CA . 11308 1 233 . 1 1 26 26 ALA CB C 13 19.584 0.300 . 1 . . . . 26 ALA CB . 11308 1 234 . 1 1 26 26 ALA N N 15 120.771 0.300 . 1 . . . . 26 ALA N . 11308 1 235 . 1 1 27 27 SER H H 1 7.225 0.030 . 1 . . . . 27 SER H . 11308 1 236 . 1 1 27 27 SER HA H 1 4.717 0.030 . 1 . . . . 27 SER HA . 11308 1 237 . 1 1 27 27 SER HB2 H 1 4.016 0.030 . 2 . . . . 27 SER HB2 . 11308 1 238 . 1 1 27 27 SER HB3 H 1 4.294 0.030 . 2 . . . . 27 SER HB3 . 11308 1 239 . 1 1 27 27 SER C C 13 175.192 0.300 . 1 . . . . 27 SER C . 11308 1 240 . 1 1 27 27 SER CA C 13 56.786 0.300 . 1 . . . . 27 SER CA . 11308 1 241 . 1 1 27 27 SER CB C 13 66.579 0.300 . 1 . . . . 27 SER CB . 11308 1 242 . 1 1 27 27 SER N N 15 105.955 0.300 . 1 . . . . 27 SER N . 11308 1 243 . 1 1 28 28 ALA H H 1 9.845 0.030 . 1 . . . . 28 ALA H . 11308 1 244 . 1 1 28 28 ALA HA H 1 3.544 0.030 . 1 . . . . 28 ALA HA . 11308 1 245 . 1 1 28 28 ALA HB1 H 1 1.247 0.030 . 1 . . . . 28 ALA HB . 11308 1 246 . 1 1 28 28 ALA HB2 H 1 1.247 0.030 . 1 . . . . 28 ALA HB . 11308 1 247 . 1 1 28 28 ALA HB3 H 1 1.247 0.030 . 1 . . . . 28 ALA HB . 11308 1 248 . 1 1 28 28 ALA C C 13 177.892 0.300 . 1 . . . . 28 ALA C . 11308 1 249 . 1 1 28 28 ALA CA C 13 55.131 0.300 . 1 . . . . 28 ALA CA . 11308 1 250 . 1 1 28 28 ALA CB C 13 18.684 0.300 . 1 . . . . 28 ALA CB . 11308 1 251 . 1 1 28 28 ALA N N 15 127.478 0.300 . 1 . . . . 28 ALA N . 11308 1 252 . 1 1 29 29 GLU H H 1 9.658 0.030 . 1 . . . . 29 GLU H . 11308 1 253 . 1 1 29 29 GLU HA H 1 3.972 0.030 . 1 . . . . 29 GLU HA . 11308 1 254 . 1 1 29 29 GLU HB2 H 1 2.045 0.030 . 2 . . . . 29 GLU HB2 . 11308 1 255 . 1 1 29 29 GLU HB3 H 1 2.215 0.030 . 2 . . . . 29 GLU HB3 . 11308 1 256 . 1 1 29 29 GLU HG2 H 1 2.439 0.030 . 2 . . . . 29 GLU HG2 . 11308 1 257 . 1 1 29 29 GLU HG3 H 1 2.557 0.030 . 2 . . . . 29 GLU HG3 . 11308 1 258 . 1 1 29 29 GLU C C 13 179.834 0.300 . 1 . . . . 29 GLU C . 11308 1 259 . 1 1 29 29 GLU CA C 13 61.162 0.300 . 1 . . . . 29 GLU CA . 11308 1 260 . 1 1 29 29 GLU CB C 13 28.805 0.300 . 1 . . . . 29 GLU CB . 11308 1 261 . 1 1 29 29 GLU CG C 13 36.986 0.300 . 1 . . . . 29 GLU CG . 11308 1 262 . 1 1 29 29 GLU N N 15 118.872 0.300 . 1 . . . . 29 GLU N . 11308 1 263 . 1 1 30 30 GLU H H 1 8.095 0.030 . 1 . . . . 30 GLU H . 11308 1 264 . 1 1 30 30 GLU HA H 1 4.031 0.030 . 1 . . . . 30 GLU HA . 11308 1 265 . 1 1 30 30 GLU HB2 H 1 2.060 0.030 . 2 . . . . 30 GLU HB2 . 11308 1 266 . 1 1 30 30 GLU HB3 H 1 2.211 0.030 . 2 . . . . 30 GLU HB3 . 11308 1 267 . 1 1 30 30 GLU HG2 H 1 2.373 0.030 . 1 . . . . 30 GLU HG2 . 11308 1 268 . 1 1 30 30 GLU HG3 H 1 2.373 0.030 . 1 . . . . 30 GLU HG3 . 11308 1 269 . 1 1 30 30 GLU C C 13 179.127 0.300 . 1 . . . . 30 GLU C . 11308 1 270 . 1 1 30 30 GLU CA C 13 59.185 0.300 . 1 . . . . 30 GLU CA . 11308 1 271 . 1 1 30 30 GLU CB C 13 30.791 0.300 . 1 . . . . 30 GLU CB . 11308 1 272 . 1 1 30 30 GLU CG C 13 37.571 0.300 . 1 . . . . 30 GLU CG . 11308 1 273 . 1 1 30 30 GLU N N 15 118.619 0.300 . 1 . . . . 30 GLU N . 11308 1 274 . 1 1 31 31 THR H H 1 7.304 0.030 . 1 . . . . 31 THR H . 11308 1 275 . 1 1 31 31 THR HA H 1 3.805 0.030 . 1 . . . . 31 THR HA . 11308 1 276 . 1 1 31 31 THR HB H 1 2.741 0.030 . 1 . . . . 31 THR HB . 11308 1 277 . 1 1 31 31 THR HG21 H 1 0.932 0.030 . 1 . . . . 31 THR HG2 . 11308 1 278 . 1 1 31 31 THR HG22 H 1 0.932 0.030 . 1 . . . . 31 THR HG2 . 11308 1 279 . 1 1 31 31 THR HG23 H 1 0.932 0.030 . 1 . . . . 31 THR HG2 . 11308 1 280 . 1 1 31 31 THR C C 13 177.391 0.300 . 1 . . . . 31 THR C . 11308 1 281 . 1 1 31 31 THR CA C 13 67.302 0.300 . 1 . . . . 31 THR CA . 11308 1 282 . 1 1 31 31 THR CB C 13 67.245 0.300 . 1 . . . . 31 THR CB . 11308 1 283 . 1 1 31 31 THR CG2 C 13 21.239 0.300 . 1 . . . . 31 THR CG2 . 11308 1 284 . 1 1 31 31 THR N N 15 118.117 0.300 . 1 . . . . 31 THR N . 11308 1 285 . 1 1 32 32 PHE H H 1 8.708 0.030 . 1 . . . . 32 PHE H . 11308 1 286 . 1 1 32 32 PHE HA H 1 4.714 0.030 . 1 . . . . 32 PHE HA . 11308 1 287 . 1 1 32 32 PHE HB2 H 1 2.937 0.030 . 2 . . . . 32 PHE HB2 . 11308 1 288 . 1 1 32 32 PHE HB3 H 1 3.255 0.030 . 2 . . . . 32 PHE HB3 . 11308 1 289 . 1 1 32 32 PHE HD1 H 1 6.953 0.030 . 1 . . . . 32 PHE HD1 . 11308 1 290 . 1 1 32 32 PHE HD2 H 1 6.953 0.030 . 1 . . . . 32 PHE HD2 . 11308 1 291 . 1 1 32 32 PHE HE1 H 1 6.804 0.030 . 1 . . . . 32 PHE HE1 . 11308 1 292 . 1 1 32 32 PHE HE2 H 1 6.804 0.030 . 1 . . . . 32 PHE HE2 . 11308 1 293 . 1 1 32 32 PHE HZ H 1 7.707 0.030 . 1 . . . . 32 PHE HZ . 11308 1 294 . 1 1 32 32 PHE C C 13 179.692 0.300 . 1 . . . . 32 PHE C . 11308 1 295 . 1 1 32 32 PHE CA C 13 60.638 0.300 . 1 . . . . 32 PHE CA . 11308 1 296 . 1 1 32 32 PHE CB C 13 37.416 0.300 . 1 . . . . 32 PHE CB . 11308 1 297 . 1 1 32 32 PHE CD1 C 13 130.608 0.300 . 1 . . . . 32 PHE CD1 . 11308 1 298 . 1 1 32 32 PHE CD2 C 13 130.608 0.300 . 1 . . . . 32 PHE CD2 . 11308 1 299 . 1 1 32 32 PHE CE1 C 13 130.722 0.300 . 1 . . . . 32 PHE CE1 . 11308 1 300 . 1 1 32 32 PHE CE2 C 13 130.722 0.300 . 1 . . . . 32 PHE CE2 . 11308 1 301 . 1 1 32 32 PHE CZ C 13 130.899 0.300 . 1 . . . . 32 PHE CZ . 11308 1 302 . 1 1 32 32 PHE N N 15 121.299 0.300 . 1 . . . . 32 PHE N . 11308 1 303 . 1 1 33 33 SER H H 1 8.522 0.030 . 1 . . . . 33 SER H . 11308 1 304 . 1 1 33 33 SER HA H 1 4.377 0.030 . 1 . . . . 33 SER HA . 11308 1 305 . 1 1 33 33 SER HB2 H 1 3.992 0.030 . 2 . . . . 33 SER HB2 . 11308 1 306 . 1 1 33 33 SER HB3 H 1 4.047 0.030 . 2 . . . . 33 SER HB3 . 11308 1 307 . 1 1 33 33 SER C C 13 176.597 0.300 . 1 . . . . 33 SER C . 11308 1 308 . 1 1 33 33 SER CA C 13 62.089 0.300 . 1 . . . . 33 SER CA . 11308 1 309 . 1 1 33 33 SER CB C 13 62.494 0.300 . 1 . . . . 33 SER CB . 11308 1 310 . 1 1 33 33 SER N N 15 119.185 0.300 . 1 . . . . 33 SER N . 11308 1 311 . 1 1 34 34 HIS H H 1 7.725 0.030 . 1 . . . . 34 HIS H . 11308 1 312 . 1 1 34 34 HIS HA H 1 4.572 0.030 . 1 . . . . 34 HIS HA . 11308 1 313 . 1 1 34 34 HIS HB2 H 1 3.068 0.030 . 1 . . . . 34 HIS HB2 . 11308 1 314 . 1 1 34 34 HIS HB3 H 1 3.068 0.030 . 1 . . . . 34 HIS HB3 . 11308 1 315 . 1 1 34 34 HIS HD2 H 1 7.754 0.030 . 1 . . . . 34 HIS HD2 . 11308 1 316 . 1 1 34 34 HIS HE1 H 1 7.869 0.030 . 1 . . . . 34 HIS HE1 . 11308 1 317 . 1 1 34 34 HIS C C 13 177.579 0.300 . 1 . . . . 34 HIS C . 11308 1 318 . 1 1 34 34 HIS CA C 13 59.166 0.300 . 1 . . . . 34 HIS CA . 11308 1 319 . 1 1 34 34 HIS CB C 13 27.398 0.300 . 1 . . . . 34 HIS CB . 11308 1 320 . 1 1 34 34 HIS CD2 C 13 131.000 0.300 . 1 . . . . 34 HIS CD2 . 11308 1 321 . 1 1 34 34 HIS CE1 C 13 138.335 0.300 . 1 . . . . 34 HIS CE1 . 11308 1 322 . 1 1 34 34 HIS N N 15 121.676 0.300 . 1 . . . . 34 HIS N . 11308 1 323 . 1 1 35 35 CYS H H 1 9.009 0.030 . 1 . . . . 35 CYS H . 11308 1 324 . 1 1 35 35 CYS HA H 1 4.228 0.030 . 1 . . . . 35 CYS HA . 11308 1 325 . 1 1 35 35 CYS HB2 H 1 3.452 0.030 . 2 . . . . 35 CYS HB2 . 11308 1 326 . 1 1 35 35 CYS HB3 H 1 3.866 0.030 . 2 . . . . 35 CYS HB3 . 11308 1 327 . 1 1 35 35 CYS C C 13 177.585 0.300 . 1 . . . . 35 CYS C . 11308 1 328 . 1 1 35 35 CYS CA C 13 65.939 0.300 . 1 . . . . 35 CYS CA . 11308 1 329 . 1 1 35 35 CYS CB C 13 27.581 0.300 . 1 . . . . 35 CYS CB . 11308 1 330 . 1 1 35 35 CYS N N 15 117.775 0.300 . 1 . . . . 35 CYS N . 11308 1 331 . 1 1 36 36 LYS H H 1 8.013 0.030 . 1 . . . . 36 LYS H . 11308 1 332 . 1 1 36 36 LYS HA H 1 3.786 0.030 . 1 . . . . 36 LYS HA . 11308 1 333 . 1 1 36 36 LYS HB2 H 1 2.028 0.030 . 2 . . . . 36 LYS HB2 . 11308 1 334 . 1 1 36 36 LYS HB3 H 1 2.032 0.030 . 2 . . . . 36 LYS HB3 . 11308 1 335 . 1 1 36 36 LYS HD2 H 1 1.714 0.030 . 1 . . . . 36 LYS HD2 . 11308 1 336 . 1 1 36 36 LYS HD3 H 1 1.714 0.030 . 1 . . . . 36 LYS HD3 . 11308 1 337 . 1 1 36 36 LYS HE2 H 1 2.869 0.030 . 2 . . . . 36 LYS HE2 . 11308 1 338 . 1 1 36 36 LYS HE3 H 1 2.954 0.030 . 2 . . . . 36 LYS HE3 . 11308 1 339 . 1 1 36 36 LYS HG2 H 1 1.309 0.030 . 2 . . . . 36 LYS HG2 . 11308 1 340 . 1 1 36 36 LYS HG3 H 1 1.660 0.030 . 2 . . . . 36 LYS HG3 . 11308 1 341 . 1 1 36 36 LYS C C 13 178.136 0.300 . 1 . . . . 36 LYS C . 11308 1 342 . 1 1 36 36 LYS CA C 13 60.482 0.300 . 1 . . . . 36 LYS CA . 11308 1 343 . 1 1 36 36 LYS CB C 13 33.165 0.300 . 1 . . . . 36 LYS CB . 11308 1 344 . 1 1 36 36 LYS CD C 13 30.047 0.300 . 1 . . . . 36 LYS CD . 11308 1 345 . 1 1 36 36 LYS CE C 13 41.878 0.300 . 1 . . . . 36 LYS CE . 11308 1 346 . 1 1 36 36 LYS CG C 13 25.905 0.300 . 1 . . . . 36 LYS CG . 11308 1 347 . 1 1 36 36 LYS N N 15 122.466 0.300 . 1 . . . . 36 LYS N . 11308 1 348 . 1 1 37 37 LEU H H 1 7.770 0.030 . 1 . . . . 37 LEU H . 11308 1 349 . 1 1 37 37 LEU HA H 1 4.133 0.030 . 1 . . . . 37 LEU HA . 11308 1 350 . 1 1 37 37 LEU HB2 H 1 1.627 0.030 . 2 . . . . 37 LEU HB2 . 11308 1 351 . 1 1 37 37 LEU HB3 H 1 1.803 0.030 . 2 . . . . 37 LEU HB3 . 11308 1 352 . 1 1 37 37 LEU HD11 H 1 0.922 0.030 . 1 . . . . 37 LEU HD1 . 11308 1 353 . 1 1 37 37 LEU HD12 H 1 0.922 0.030 . 1 . . . . 37 LEU HD1 . 11308 1 354 . 1 1 37 37 LEU HD13 H 1 0.922 0.030 . 1 . . . . 37 LEU HD1 . 11308 1 355 . 1 1 37 37 LEU HD21 H 1 0.927 0.030 . 1 . . . . 37 LEU HD2 . 11308 1 356 . 1 1 37 37 LEU HD22 H 1 0.927 0.030 . 1 . . . . 37 LEU HD2 . 11308 1 357 . 1 1 37 37 LEU HD23 H 1 0.927 0.030 . 1 . . . . 37 LEU HD2 . 11308 1 358 . 1 1 37 37 LEU HG H 1 1.716 0.030 . 1 . . . . 37 LEU HG . 11308 1 359 . 1 1 37 37 LEU C C 13 178.534 0.300 . 1 . . . . 37 LEU C . 11308 1 360 . 1 1 37 37 LEU CA C 13 57.617 0.300 . 1 . . . . 37 LEU CA . 11308 1 361 . 1 1 37 37 LEU CB C 13 43.178 0.300 . 1 . . . . 37 LEU CB . 11308 1 362 . 1 1 37 37 LEU CD1 C 13 23.717 0.300 . 2 . . . . 37 LEU CD1 . 11308 1 363 . 1 1 37 37 LEU CD2 C 13 24.453 0.300 . 2 . . . . 37 LEU CD2 . 11308 1 364 . 1 1 37 37 LEU CG C 13 27.167 0.300 . 1 . . . . 37 LEU CG . 11308 1 365 . 1 1 37 37 LEU N N 15 118.452 0.300 . 1 . . . . 37 LEU N . 11308 1 366 . 1 1 38 38 GLU H H 1 8.580 0.030 . 1 . . . . 38 GLU H . 11308 1 367 . 1 1 38 38 GLU HA H 1 4.340 0.030 . 1 . . . . 38 GLU HA . 11308 1 368 . 1 1 38 38 GLU HB2 H 1 1.162 0.030 . 2 . . . . 38 GLU HB2 . 11308 1 369 . 1 1 38 38 GLU HB3 H 1 1.302 0.030 . 2 . . . . 38 GLU HB3 . 11308 1 370 . 1 1 38 38 GLU HG2 H 1 2.039 0.030 . 1 . . . . 38 GLU HG2 . 11308 1 371 . 1 1 38 38 GLU HG3 H 1 2.039 0.030 . 1 . . . . 38 GLU HG3 . 11308 1 372 . 1 1 38 38 GLU C C 13 177.115 0.300 . 1 . . . . 38 GLU C . 11308 1 373 . 1 1 38 38 GLU CA C 13 57.023 0.300 . 1 . . . . 38 GLU CA . 11308 1 374 . 1 1 38 38 GLU CB C 13 30.270 0.300 . 1 . . . . 38 GLU CB . 11308 1 375 . 1 1 38 38 GLU CG C 13 36.782 0.300 . 1 . . . . 38 GLU CG . 11308 1 376 . 1 1 38 38 GLU N N 15 114.127 0.300 . 1 . . . . 38 GLU N . 11308 1 377 . 1 1 39 39 HIS H H 1 6.777 0.030 . 1 . . . . 39 HIS H . 11308 1 378 . 1 1 39 39 HIS HA H 1 5.033 0.030 . 1 . . . . 39 HIS HA . 11308 1 379 . 1 1 39 39 HIS HB2 H 1 3.074 0.030 . 2 . . . . 39 HIS HB2 . 11308 1 380 . 1 1 39 39 HIS HB3 H 1 3.182 0.030 . 2 . . . . 39 HIS HB3 . 11308 1 381 . 1 1 39 39 HIS HD2 H 1 7.078 0.030 . 1 . . . . 39 HIS HD2 . 11308 1 382 . 1 1 39 39 HIS HE1 H 1 8.094 0.030 . 1 . . . . 39 HIS HE1 . 11308 1 383 . 1 1 39 39 HIS C C 13 173.683 0.300 . 1 . . . . 39 HIS C . 11308 1 384 . 1 1 39 39 HIS CA C 13 53.875 0.300 . 1 . . . . 39 HIS CA . 11308 1 385 . 1 1 39 39 HIS CB C 13 29.281 0.300 . 1 . . . . 39 HIS CB . 11308 1 386 . 1 1 39 39 HIS CD2 C 13 128.054 0.300 . 1 . . . . 39 HIS CD2 . 11308 1 387 . 1 1 39 39 HIS CE1 C 13 140.262 0.300 . 1 . . . . 39 HIS CE1 . 11308 1 388 . 1 1 39 39 HIS N N 15 110.867 0.300 . 1 . . . . 39 HIS N . 11308 1 389 . 1 1 40 40 GLN H H 1 7.187 0.030 . 1 . . . . 40 GLN H . 11308 1 390 . 1 1 40 40 GLN HA H 1 3.993 0.030 . 1 . . . . 40 GLN HA . 11308 1 391 . 1 1 40 40 GLN HB2 H 1 2.214 0.030 . 2 . . . . 40 GLN HB2 . 11308 1 392 . 1 1 40 40 GLN HB3 H 1 2.303 0.030 . 2 . . . . 40 GLN HB3 . 11308 1 393 . 1 1 40 40 GLN HE21 H 1 6.584 0.030 . 2 . . . . 40 GLN HE21 . 11308 1 394 . 1 1 40 40 GLN HE22 H 1 7.301 0.030 . 2 . . . . 40 GLN HE22 . 11308 1 395 . 1 1 40 40 GLN HG2 H 1 2.248 0.030 . 1 . . . . 40 GLN HG2 . 11308 1 396 . 1 1 40 40 GLN HG3 H 1 2.248 0.030 . 1 . . . . 40 GLN HG3 . 11308 1 397 . 1 1 40 40 GLN C C 13 173.894 0.300 . 1 . . . . 40 GLN C . 11308 1 398 . 1 1 40 40 GLN CA C 13 57.569 0.300 . 1 . . . . 40 GLN CA . 11308 1 399 . 1 1 40 40 GLN CB C 13 25.692 0.300 . 1 . . . . 40 GLN CB . 11308 1 400 . 1 1 40 40 GLN CG C 13 34.399 0.300 . 1 . . . . 40 GLN CG . 11308 1 401 . 1 1 40 40 GLN N N 15 112.309 0.300 . 1 . . . . 40 GLN N . 11308 1 402 . 1 1 40 40 GLN NE2 N 15 112.420 0.300 . 1 . . . . 40 GLN NE2 . 11308 1 403 . 1 1 41 41 PHE H H 1 7.725 0.030 . 1 . . . . 41 PHE H . 11308 1 404 . 1 1 41 41 PHE HA H 1 4.737 0.030 . 1 . . . . 41 PHE HA . 11308 1 405 . 1 1 41 41 PHE HB2 H 1 2.529 0.030 . 1 . . . . 41 PHE HB2 . 11308 1 406 . 1 1 41 41 PHE HB3 H 1 2.529 0.030 . 1 . . . . 41 PHE HB3 . 11308 1 407 . 1 1 41 41 PHE HD1 H 1 7.219 0.030 . 1 . . . . 41 PHE HD1 . 11308 1 408 . 1 1 41 41 PHE HD2 H 1 7.219 0.030 . 1 . . . . 41 PHE HD2 . 11308 1 409 . 1 1 41 41 PHE HE1 H 1 7.192 0.030 . 1 . . . . 41 PHE HE1 . 11308 1 410 . 1 1 41 41 PHE HE2 H 1 7.192 0.030 . 1 . . . . 41 PHE HE2 . 11308 1 411 . 1 1 41 41 PHE HZ H 1 6.921 0.030 . 1 . . . . 41 PHE HZ . 11308 1 412 . 1 1 41 41 PHE C C 13 173.227 0.300 . 1 . . . . 41 PHE C . 11308 1 413 . 1 1 41 41 PHE CA C 13 56.453 0.300 . 1 . . . . 41 PHE CA . 11308 1 414 . 1 1 41 41 PHE CB C 13 41.633 0.300 . 1 . . . . 41 PHE CB . 11308 1 415 . 1 1 41 41 PHE CD1 C 13 132.658 0.300 . 1 . . . . 41 PHE CD1 . 11308 1 416 . 1 1 41 41 PHE CD2 C 13 132.658 0.300 . 1 . . . . 41 PHE CD2 . 11308 1 417 . 1 1 41 41 PHE CE1 C 13 130.588 0.300 . 1 . . . . 41 PHE CE1 . 11308 1 418 . 1 1 41 41 PHE CE2 C 13 130.588 0.300 . 1 . . . . 41 PHE CE2 . 11308 1 419 . 1 1 41 41 PHE CZ C 13 128.349 0.300 . 1 . . . . 41 PHE CZ . 11308 1 420 . 1 1 41 41 PHE N N 15 117.951 0.300 . 1 . . . . 41 PHE N . 11308 1 421 . 1 1 42 42 ASN H H 1 8.893 0.030 . 1 . . . . 42 ASN H . 11308 1 422 . 1 1 42 42 ASN HA H 1 4.656 0.030 . 1 . . . . 42 ASN HA . 11308 1 423 . 1 1 42 42 ASN HB2 H 1 2.962 0.030 . 2 . . . . 42 ASN HB2 . 11308 1 424 . 1 1 42 42 ASN HB3 H 1 2.471 0.030 . 2 . . . . 42 ASN HB3 . 11308 1 425 . 1 1 42 42 ASN HD21 H 1 7.147 0.030 . 2 . . . . 42 ASN HD21 . 11308 1 426 . 1 1 42 42 ASN HD22 H 1 7.614 0.030 . 2 . . . . 42 ASN HD22 . 11308 1 427 . 1 1 42 42 ASN C C 13 174.795 0.300 . 1 . . . . 42 ASN C . 11308 1 428 . 1 1 42 42 ASN CA C 13 50.764 0.300 . 1 . . . . 42 ASN CA . 11308 1 429 . 1 1 42 42 ASN CB C 13 39.172 0.300 . 1 . . . . 42 ASN CB . 11308 1 430 . 1 1 42 42 ASN N N 15 128.008 0.300 . 1 . . . . 42 ASN N . 11308 1 431 . 1 1 42 42 ASN ND2 N 15 112.207 0.300 . 1 . . . . 42 ASN ND2 . 11308 1 432 . 1 1 43 43 ILE H H 1 8.637 0.030 . 1 . . . . 43 ILE H . 11308 1 433 . 1 1 43 43 ILE HA H 1 3.538 0.030 . 1 . . . . 43 ILE HA . 11308 1 434 . 1 1 43 43 ILE HB H 1 1.279 0.030 . 1 . . . . 43 ILE HB . 11308 1 435 . 1 1 43 43 ILE HD11 H 1 0.811 0.030 . 1 . . . . 43 ILE HD1 . 11308 1 436 . 1 1 43 43 ILE HD12 H 1 0.811 0.030 . 1 . . . . 43 ILE HD1 . 11308 1 437 . 1 1 43 43 ILE HD13 H 1 0.811 0.030 . 1 . . . . 43 ILE HD1 . 11308 1 438 . 1 1 43 43 ILE HG12 H 1 0.942 0.030 . 2 . . . . 43 ILE HG12 . 11308 1 439 . 1 1 43 43 ILE HG13 H 1 0.646 0.030 . 2 . . . . 43 ILE HG13 . 11308 1 440 . 1 1 43 43 ILE HG21 H 1 0.204 0.030 . 1 . . . . 43 ILE HG2 . 11308 1 441 . 1 1 43 43 ILE HG22 H 1 0.204 0.030 . 1 . . . . 43 ILE HG2 . 11308 1 442 . 1 1 43 43 ILE HG23 H 1 0.204 0.030 . 1 . . . . 43 ILE HG2 . 11308 1 443 . 1 1 43 43 ILE C C 13 174.506 0.300 . 1 . . . . 43 ILE C . 11308 1 444 . 1 1 43 43 ILE CA C 13 60.350 0.300 . 1 . . . . 43 ILE CA . 11308 1 445 . 1 1 43 43 ILE CB C 13 38.100 0.300 . 1 . . . . 43 ILE CB . 11308 1 446 . 1 1 43 43 ILE CD1 C 13 13.676 0.300 . 1 . . . . 43 ILE CD1 . 11308 1 447 . 1 1 43 43 ILE CG1 C 13 28.230 0.300 . 1 . . . . 43 ILE CG1 . 11308 1 448 . 1 1 43 43 ILE CG2 C 13 18.003 0.300 . 1 . . . . 43 ILE CG2 . 11308 1 449 . 1 1 43 43 ILE N N 15 125.378 0.300 . 1 . . . . 43 ILE N . 11308 1 450 . 1 1 44 44 ASP H H 1 7.858 0.030 . 1 . . . . 44 ASP H . 11308 1 451 . 1 1 44 44 ASP HA H 1 4.029 0.030 . 1 . . . . 44 ASP HA . 11308 1 452 . 1 1 44 44 ASP HB2 H 1 2.578 0.030 . 2 . . . . 44 ASP HB2 . 11308 1 453 . 1 1 44 44 ASP HB3 H 1 2.654 0.030 . 2 . . . . 44 ASP HB3 . 11308 1 454 . 1 1 44 44 ASP C C 13 178.450 0.300 . 1 . . . . 44 ASP C . 11308 1 455 . 1 1 44 44 ASP CA C 13 57.183 0.300 . 1 . . . . 44 ASP CA . 11308 1 456 . 1 1 44 44 ASP CB C 13 39.915 0.300 . 1 . . . . 44 ASP CB . 11308 1 457 . 1 1 44 44 ASP N N 15 121.941 0.300 . 1 . . . . 44 ASP N . 11308 1 458 . 1 1 45 45 SER H H 1 7.239 0.030 . 1 . . . . 45 SER H . 11308 1 459 . 1 1 45 45 SER HA H 1 4.201 0.030 . 1 . . . . 45 SER HA . 11308 1 460 . 1 1 45 45 SER HB2 H 1 3.868 0.030 . 1 . . . . 45 SER HB2 . 11308 1 461 . 1 1 45 45 SER HB3 H 1 3.868 0.030 . 1 . . . . 45 SER HB3 . 11308 1 462 . 1 1 45 45 SER C C 13 177.010 0.300 . 1 . . . . 45 SER C . 11308 1 463 . 1 1 45 45 SER CA C 13 60.759 0.300 . 1 . . . . 45 SER CA . 11308 1 464 . 1 1 45 45 SER CB C 13 62.387 0.300 . 1 . . . . 45 SER CB . 11308 1 465 . 1 1 45 45 SER N N 15 114.023 0.300 . 1 . . . . 45 SER N . 11308 1 466 . 1 1 46 46 MET H H 1 7.701 0.030 . 1 . . . . 46 MET H . 11308 1 467 . 1 1 46 46 MET HA H 1 4.378 0.030 . 1 . . . . 46 MET HA . 11308 1 468 . 1 1 46 46 MET HB2 H 1 2.172 0.030 . 2 . . . . 46 MET HB2 . 11308 1 469 . 1 1 46 46 MET HB3 H 1 1.790 0.030 . 2 . . . . 46 MET HB3 . 11308 1 470 . 1 1 46 46 MET HE1 H 1 2.134 0.030 . 1 . . . . 46 MET HE . 11308 1 471 . 1 1 46 46 MET HE2 H 1 2.134 0.030 . 1 . . . . 46 MET HE . 11308 1 472 . 1 1 46 46 MET HE3 H 1 2.134 0.030 . 1 . . . . 46 MET HE . 11308 1 473 . 1 1 46 46 MET HG2 H 1 2.280 0.030 . 2 . . . . 46 MET HG2 . 11308 1 474 . 1 1 46 46 MET HG3 H 1 2.353 0.030 . 2 . . . . 46 MET HG3 . 11308 1 475 . 1 1 46 46 MET C C 13 178.160 0.300 . 1 . . . . 46 MET C . 11308 1 476 . 1 1 46 46 MET CA C 13 57.431 0.300 . 1 . . . . 46 MET CA . 11308 1 477 . 1 1 46 46 MET CB C 13 31.525 0.300 . 1 . . . . 46 MET CB . 11308 1 478 . 1 1 46 46 MET CE C 13 18.279 0.300 . 1 . . . . 46 MET CE . 11308 1 479 . 1 1 46 46 MET CG C 13 32.836 0.300 . 1 . . . . 46 MET CG . 11308 1 480 . 1 1 46 46 MET N N 15 120.436 0.300 . 1 . . . . 46 MET N . 11308 1 481 . 1 1 47 47 VAL H H 1 8.214 0.030 . 1 . . . . 47 VAL H . 11308 1 482 . 1 1 47 47 VAL HA H 1 3.503 0.030 . 1 . . . . 47 VAL HA . 11308 1 483 . 1 1 47 47 VAL HB H 1 2.132 0.030 . 1 . . . . 47 VAL HB . 11308 1 484 . 1 1 47 47 VAL HG11 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11308 1 485 . 1 1 47 47 VAL HG12 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11308 1 486 . 1 1 47 47 VAL HG13 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11308 1 487 . 1 1 47 47 VAL HG21 H 1 0.977 0.030 . 1 . . . . 47 VAL HG2 . 11308 1 488 . 1 1 47 47 VAL HG22 H 1 0.977 0.030 . 1 . . . . 47 VAL HG2 . 11308 1 489 . 1 1 47 47 VAL HG23 H 1 0.977 0.030 . 1 . . . . 47 VAL HG2 . 11308 1 490 . 1 1 47 47 VAL C C 13 178.254 0.300 . 1 . . . . 47 VAL C . 11308 1 491 . 1 1 47 47 VAL CA C 13 66.623 0.300 . 1 . . . . 47 VAL CA . 11308 1 492 . 1 1 47 47 VAL CB C 13 31.526 0.300 . 1 . . . . 47 VAL CB . 11308 1 493 . 1 1 47 47 VAL CG1 C 13 20.962 0.300 . 2 . . . . 47 VAL CG1 . 11308 1 494 . 1 1 47 47 VAL CG2 C 13 23.143 0.300 . 2 . . . . 47 VAL CG2 . 11308 1 495 . 1 1 47 47 VAL N N 15 118.659 0.300 . 1 . . . . 47 VAL N . 11308 1 496 . 1 1 48 48 HIS H H 1 7.693 0.030 . 1 . . . . 48 HIS H . 11308 1 497 . 1 1 48 48 HIS HA H 1 4.477 0.030 . 1 . . . . 48 HIS HA . 11308 1 498 . 1 1 48 48 HIS HB2 H 1 3.143 0.030 . 2 . . . . 48 HIS HB2 . 11308 1 499 . 1 1 48 48 HIS HB3 H 1 3.221 0.030 . 2 . . . . 48 HIS HB3 . 11308 1 500 . 1 1 48 48 HIS HD2 H 1 7.157 0.030 . 1 . . . . 48 HIS HD2 . 11308 1 501 . 1 1 48 48 HIS HE1 H 1 8.092 0.030 . 1 . . . . 48 HIS HE1 . 11308 1 502 . 1 1 48 48 HIS C C 13 177.906 0.300 . 1 . . . . 48 HIS C . 11308 1 503 . 1 1 48 48 HIS CA C 13 59.030 0.300 . 1 . . . . 48 HIS CA . 11308 1 504 . 1 1 48 48 HIS CB C 13 29.795 0.300 . 1 . . . . 48 HIS CB . 11308 1 505 . 1 1 48 48 HIS CD2 C 13 119.965 0.300 . 1 . . . . 48 HIS CD2 . 11308 1 506 . 1 1 48 48 HIS CE1 C 13 137.529 0.300 . 1 . . . . 48 HIS CE1 . 11308 1 507 . 1 1 48 48 HIS N N 15 115.810 0.300 . 1 . . . . 48 HIS N . 11308 1 508 . 1 1 49 49 LYS H H 1 8.825 0.030 . 1 . . . . 49 LYS H . 11308 1 509 . 1 1 49 49 LYS HA H 1 3.885 0.030 . 1 . . . . 49 LYS HA . 11308 1 510 . 1 1 49 49 LYS HB2 H 1 1.861 0.030 . 2 . . . . 49 LYS HB2 . 11308 1 511 . 1 1 49 49 LYS HB3 H 1 1.520 0.030 . 2 . . . . 49 LYS HB3 . 11308 1 512 . 1 1 49 49 LYS HD2 H 1 1.478 0.030 . 2 . . . . 49 LYS HD2 . 11308 1 513 . 1 1 49 49 LYS HD3 H 1 1.533 0.030 . 2 . . . . 49 LYS HD3 . 11308 1 514 . 1 1 49 49 LYS HE2 H 1 2.768 0.030 . 2 . . . . 49 LYS HE2 . 11308 1 515 . 1 1 49 49 LYS HE3 H 1 2.834 0.030 . 2 . . . . 49 LYS HE3 . 11308 1 516 . 1 1 49 49 LYS HG2 H 1 1.084 0.030 . 1 . . . . 49 LYS HG2 . 11308 1 517 . 1 1 49 49 LYS HG3 H 1 1.084 0.030 . 1 . . . . 49 LYS HG3 . 11308 1 518 . 1 1 49 49 LYS C C 13 178.005 0.300 . 1 . . . . 49 LYS C . 11308 1 519 . 1 1 49 49 LYS CA C 13 59.444 0.300 . 1 . . . . 49 LYS CA . 11308 1 520 . 1 1 49 49 LYS CB C 13 33.298 0.300 . 1 . . . . 49 LYS CB . 11308 1 521 . 1 1 49 49 LYS CD C 13 29.958 0.300 . 1 . . . . 49 LYS CD . 11308 1 522 . 1 1 49 49 LYS CE C 13 42.369 0.300 . 1 . . . . 49 LYS CE . 11308 1 523 . 1 1 49 49 LYS CG C 13 24.699 0.300 . 1 . . . . 49 LYS CG . 11308 1 524 . 1 1 49 49 LYS N N 15 120.864 0.300 . 1 . . . . 49 LYS N . 11308 1 525 . 1 1 50 50 HIS H H 1 7.551 0.030 . 1 . . . . 50 HIS H . 11308 1 526 . 1 1 50 50 HIS HA H 1 4.813 0.030 . 1 . . . . 50 HIS HA . 11308 1 527 . 1 1 50 50 HIS HB2 H 1 3.666 0.030 . 2 . . . . 50 HIS HB2 . 11308 1 528 . 1 1 50 50 HIS HB3 H 1 3.038 0.030 . 2 . . . . 50 HIS HB3 . 11308 1 529 . 1 1 50 50 HIS HD2 H 1 7.385 0.030 . 1 . . . . 50 HIS HD2 . 11308 1 530 . 1 1 50 50 HIS HE1 H 1 7.734 0.030 . 1 . . . . 50 HIS HE1 . 11308 1 531 . 1 1 50 50 HIS C C 13 175.114 0.300 . 1 . . . . 50 HIS C . 11308 1 532 . 1 1 50 50 HIS CA C 13 55.874 0.300 . 1 . . . . 50 HIS CA . 11308 1 533 . 1 1 50 50 HIS CB C 13 31.080 0.300 . 1 . . . . 50 HIS CB . 11308 1 534 . 1 1 50 50 HIS CD2 C 13 118.602 0.300 . 1 . . . . 50 HIS CD2 . 11308 1 535 . 1 1 50 50 HIS CE1 C 13 139.159 0.300 . 1 . . . . 50 HIS CE1 . 11308 1 536 . 1 1 50 50 HIS N N 15 112.343 0.300 . 1 . . . . 50 HIS N . 11308 1 537 . 1 1 51 51 GLY H H 1 7.672 0.030 . 1 . . . . 51 GLY H . 11308 1 538 . 1 1 51 51 GLY HA2 H 1 3.811 0.030 . 2 . . . . 51 GLY HA2 . 11308 1 539 . 1 1 51 51 GLY HA3 H 1 4.018 0.030 . 2 . . . . 51 GLY HA3 . 11308 1 540 . 1 1 51 51 GLY C C 13 176.030 0.300 . 1 . . . . 51 GLY C . 11308 1 541 . 1 1 51 51 GLY CA C 13 47.735 0.300 . 1 . . . . 51 GLY CA . 11308 1 542 . 1 1 51 51 GLY N N 15 112.362 0.300 . 1 . . . . 51 GLY N . 11308 1 543 . 1 1 52 52 LEU H H 1 8.171 0.030 . 1 . . . . 52 LEU H . 11308 1 544 . 1 1 52 52 LEU HA H 1 4.469 0.030 . 1 . . . . 52 LEU HA . 11308 1 545 . 1 1 52 52 LEU HB2 H 1 1.936 0.030 . 2 . . . . 52 LEU HB2 . 11308 1 546 . 1 1 52 52 LEU HB3 H 1 1.542 0.030 . 2 . . . . 52 LEU HB3 . 11308 1 547 . 1 1 52 52 LEU HD11 H 1 0.768 0.030 . 1 . . . . 52 LEU HD1 . 11308 1 548 . 1 1 52 52 LEU HD12 H 1 0.768 0.030 . 1 . . . . 52 LEU HD1 . 11308 1 549 . 1 1 52 52 LEU HD13 H 1 0.768 0.030 . 1 . . . . 52 LEU HD1 . 11308 1 550 . 1 1 52 52 LEU HD21 H 1 1.063 0.030 . 1 . . . . 52 LEU HD2 . 11308 1 551 . 1 1 52 52 LEU HD22 H 1 1.063 0.030 . 1 . . . . 52 LEU HD2 . 11308 1 552 . 1 1 52 52 LEU HD23 H 1 1.063 0.030 . 1 . . . . 52 LEU HD2 . 11308 1 553 . 1 1 52 52 LEU HG H 1 1.918 0.030 . 1 . . . . 52 LEU HG . 11308 1 554 . 1 1 52 52 LEU C C 13 176.852 0.300 . 1 . . . . 52 LEU C . 11308 1 555 . 1 1 52 52 LEU CA C 13 55.867 0.300 . 1 . . . . 52 LEU CA . 11308 1 556 . 1 1 52 52 LEU CB C 13 42.124 0.300 . 1 . . . . 52 LEU CB . 11308 1 557 . 1 1 52 52 LEU CD1 C 13 26.171 0.300 . 2 . . . . 52 LEU CD1 . 11308 1 558 . 1 1 52 52 LEU CD2 C 13 23.732 0.300 . 2 . . . . 52 LEU CD2 . 11308 1 559 . 1 1 52 52 LEU CG C 13 26.662 0.300 . 1 . . . . 52 LEU CG . 11308 1 560 . 1 1 52 52 LEU N N 15 115.909 0.300 . 1 . . . . 52 LEU N . 11308 1 561 . 1 1 53 53 GLU H H 1 8.030 0.030 . 1 . . . . 53 GLU H . 11308 1 562 . 1 1 53 53 GLU HA H 1 4.727 0.030 . 1 . . . . 53 GLU HA . 11308 1 563 . 1 1 53 53 GLU HB2 H 1 2.336 0.030 . 2 . . . . 53 GLU HB2 . 11308 1 564 . 1 1 53 53 GLU HB3 H 1 2.415 0.030 . 2 . . . . 53 GLU HB3 . 11308 1 565 . 1 1 53 53 GLU HG2 H 1 2.440 0.030 . 2 . . . . 53 GLU HG2 . 11308 1 566 . 1 1 53 53 GLU HG3 H 1 2.475 0.030 . 2 . . . . 53 GLU HG3 . 11308 1 567 . 1 1 53 53 GLU C C 13 175.414 0.300 . 1 . . . . 53 GLU C . 11308 1 568 . 1 1 53 53 GLU CA C 13 53.974 0.300 . 1 . . . . 53 GLU CA . 11308 1 569 . 1 1 53 53 GLU CB C 13 30.347 0.300 . 1 . . . . 53 GLU CB . 11308 1 570 . 1 1 53 53 GLU CG C 13 36.234 0.300 . 1 . . . . 53 GLU CG . 11308 1 571 . 1 1 53 53 GLU N N 15 119.749 0.300 . 1 . . . . 53 GLU N . 11308 1 572 . 1 1 54 54 PHE H H 1 8.556 0.030 . 1 . . . . 54 PHE H . 11308 1 573 . 1 1 54 54 PHE HA H 1 4.140 0.030 . 1 . . . . 54 PHE HA . 11308 1 574 . 1 1 54 54 PHE HB2 H 1 3.257 0.030 . 2 . . . . 54 PHE HB2 . 11308 1 575 . 1 1 54 54 PHE HB3 H 1 2.656 0.030 . 2 . . . . 54 PHE HB3 . 11308 1 576 . 1 1 54 54 PHE HD1 H 1 6.610 0.030 . 1 . . . . 54 PHE HD1 . 11308 1 577 . 1 1 54 54 PHE HD2 H 1 6.610 0.030 . 1 . . . . 54 PHE HD2 . 11308 1 578 . 1 1 54 54 PHE HE1 H 1 7.255 0.030 . 1 . . . . 54 PHE HE1 . 11308 1 579 . 1 1 54 54 PHE HE2 H 1 7.255 0.030 . 1 . . . . 54 PHE HE2 . 11308 1 580 . 1 1 54 54 PHE HZ H 1 7.326 0.030 . 1 . . . . 54 PHE HZ . 11308 1 581 . 1 1 54 54 PHE C C 13 176.178 0.300 . 1 . . . . 54 PHE C . 11308 1 582 . 1 1 54 54 PHE CA C 13 62.954 0.300 . 1 . . . . 54 PHE CA . 11308 1 583 . 1 1 54 54 PHE CB C 13 39.915 0.300 . 1 . . . . 54 PHE CB . 11308 1 584 . 1 1 54 54 PHE CD1 C 13 131.704 0.300 . 1 . . . . 54 PHE CD1 . 11308 1 585 . 1 1 54 54 PHE CD2 C 13 131.704 0.300 . 1 . . . . 54 PHE CD2 . 11308 1 586 . 1 1 54 54 PHE CE1 C 13 131.704 0.300 . 1 . . . . 54 PHE CE1 . 11308 1 587 . 1 1 54 54 PHE CE2 C 13 131.704 0.300 . 1 . . . . 54 PHE CE2 . 11308 1 588 . 1 1 54 54 PHE CZ C 13 130.218 0.300 . 1 . . . . 54 PHE CZ . 11308 1 589 . 1 1 54 54 PHE N N 15 120.350 0.300 . 1 . . . . 54 PHE N . 11308 1 590 . 1 1 55 55 TYR H H 1 8.625 0.030 . 1 . . . . 55 TYR H . 11308 1 591 . 1 1 55 55 TYR HA H 1 4.115 0.030 . 1 . . . . 55 TYR HA . 11308 1 592 . 1 1 55 55 TYR HB2 H 1 3.047 0.030 . 2 . . . . 55 TYR HB2 . 11308 1 593 . 1 1 55 55 TYR HB3 H 1 3.252 0.030 . 2 . . . . 55 TYR HB3 . 11308 1 594 . 1 1 55 55 TYR HD1 H 1 7.383 0.030 . 1 . . . . 55 TYR HD1 . 11308 1 595 . 1 1 55 55 TYR HD2 H 1 7.383 0.030 . 1 . . . . 55 TYR HD2 . 11308 1 596 . 1 1 55 55 TYR HE1 H 1 7.082 0.030 . 1 . . . . 55 TYR HE1 . 11308 1 597 . 1 1 55 55 TYR HE2 H 1 7.082 0.030 . 1 . . . . 55 TYR HE2 . 11308 1 598 . 1 1 55 55 TYR C C 13 178.001 0.300 . 1 . . . . 55 TYR C . 11308 1 599 . 1 1 55 55 TYR CA C 13 62.255 0.300 . 1 . . . . 55 TYR CA . 11308 1 600 . 1 1 55 55 TYR CB C 13 37.278 0.300 . 1 . . . . 55 TYR CB . 11308 1 601 . 1 1 55 55 TYR CD1 C 13 133.092 0.300 . 1 . . . . 55 TYR CD1 . 11308 1 602 . 1 1 55 55 TYR CD2 C 13 133.092 0.300 . 1 . . . . 55 TYR CD2 . 11308 1 603 . 1 1 55 55 TYR CE1 C 13 118.600 0.300 . 1 . . . . 55 TYR CE1 . 11308 1 604 . 1 1 55 55 TYR CE2 C 13 118.600 0.300 . 1 . . . . 55 TYR CE2 . 11308 1 605 . 1 1 55 55 TYR N N 15 114.779 0.300 . 1 . . . . 55 TYR N . 11308 1 606 . 1 1 56 56 GLY H H 1 8.661 0.030 . 1 . . . . 56 GLY H . 11308 1 607 . 1 1 56 56 GLY HA2 H 1 3.926 0.030 . 2 . . . . 56 GLY HA2 . 11308 1 608 . 1 1 56 56 GLY HA3 H 1 4.052 0.030 . 2 . . . . 56 GLY HA3 . 11308 1 609 . 1 1 56 56 GLY C C 13 174.502 0.300 . 1 . . . . 56 GLY C . 11308 1 610 . 1 1 56 56 GLY CA C 13 47.822 0.300 . 1 . . . . 56 GLY CA . 11308 1 611 . 1 1 56 56 GLY N N 15 109.033 0.300 . 1 . . . . 56 GLY N . 11308 1 612 . 1 1 57 57 TYR H H 1 8.358 0.030 . 1 . . . . 57 TYR H . 11308 1 613 . 1 1 57 57 TYR HA H 1 3.871 0.030 . 1 . . . . 57 TYR HA . 11308 1 614 . 1 1 57 57 TYR HB2 H 1 2.670 0.030 . 2 . . . . 57 TYR HB2 . 11308 1 615 . 1 1 57 57 TYR HB3 H 1 3.208 0.030 . 2 . . . . 57 TYR HB3 . 11308 1 616 . 1 1 57 57 TYR HD1 H 1 6.743 0.030 . 1 . . . . 57 TYR HD1 . 11308 1 617 . 1 1 57 57 TYR HD2 H 1 6.743 0.030 . 1 . . . . 57 TYR HD2 . 11308 1 618 . 1 1 57 57 TYR HE1 H 1 6.779 0.030 . 1 . . . . 57 TYR HE1 . 11308 1 619 . 1 1 57 57 TYR HE2 H 1 6.779 0.030 . 1 . . . . 57 TYR HE2 . 11308 1 620 . 1 1 57 57 TYR C C 13 175.192 0.300 . 1 . . . . 57 TYR C . 11308 1 621 . 1 1 57 57 TYR CA C 13 62.051 0.300 . 1 . . . . 57 TYR CA . 11308 1 622 . 1 1 57 57 TYR CB C 13 38.442 0.300 . 1 . . . . 57 TYR CB . 11308 1 623 . 1 1 57 57 TYR CD1 C 13 132.381 0.300 . 1 . . . . 57 TYR CD1 . 11308 1 624 . 1 1 57 57 TYR CD2 C 13 132.381 0.300 . 1 . . . . 57 TYR CD2 . 11308 1 625 . 1 1 57 57 TYR CE1 C 13 117.695 0.300 . 1 . . . . 57 TYR CE1 . 11308 1 626 . 1 1 57 57 TYR CE2 C 13 117.695 0.300 . 1 . . . . 57 TYR CE2 . 11308 1 627 . 1 1 57 57 TYR N N 15 120.838 0.300 . 1 . . . . 57 TYR N . 11308 1 628 . 1 1 58 58 ILE H H 1 7.729 0.030 . 1 . . . . 58 ILE H . 11308 1 629 . 1 1 58 58 ILE HA H 1 3.249 0.030 . 1 . . . . 58 ILE HA . 11308 1 630 . 1 1 58 58 ILE HB H 1 2.061 0.030 . 1 . . . . 58 ILE HB . 11308 1 631 . 1 1 58 58 ILE HD11 H 1 0.763 0.030 . 1 . . . . 58 ILE HD1 . 11308 1 632 . 1 1 58 58 ILE HD12 H 1 0.763 0.030 . 1 . . . . 58 ILE HD1 . 11308 1 633 . 1 1 58 58 ILE HD13 H 1 0.763 0.030 . 1 . . . . 58 ILE HD1 . 11308 1 634 . 1 1 58 58 ILE HG12 H 1 1.194 0.030 . 2 . . . . 58 ILE HG12 . 11308 1 635 . 1 1 58 58 ILE HG13 H 1 1.379 0.030 . 2 . . . . 58 ILE HG13 . 11308 1 636 . 1 1 58 58 ILE HG21 H 1 0.985 0.030 . 1 . . . . 58 ILE HG2 . 11308 1 637 . 1 1 58 58 ILE HG22 H 1 0.985 0.030 . 1 . . . . 58 ILE HG2 . 11308 1 638 . 1 1 58 58 ILE HG23 H 1 0.985 0.030 . 1 . . . . 58 ILE HG2 . 11308 1 639 . 1 1 58 58 ILE C C 13 177.459 0.300 . 1 . . . . 58 ILE C . 11308 1 640 . 1 1 58 58 ILE CA C 13 64.388 0.300 . 1 . . . . 58 ILE CA . 11308 1 641 . 1 1 58 58 ILE CB C 13 37.215 0.300 . 1 . . . . 58 ILE CB . 11308 1 642 . 1 1 58 58 ILE CD1 C 13 12.688 0.300 . 1 . . . . 58 ILE CD1 . 11308 1 643 . 1 1 58 58 ILE CG1 C 13 27.658 0.300 . 1 . . . . 58 ILE CG1 . 11308 1 644 . 1 1 58 58 ILE CG2 C 13 18.824 0.300 . 1 . . . . 58 ILE CG2 . 11308 1 645 . 1 1 58 58 ILE N N 15 118.199 0.300 . 1 . . . . 58 ILE N . 11308 1 646 . 1 1 59 59 LYS H H 1 7.755 0.030 . 1 . . . . 59 LYS H . 11308 1 647 . 1 1 59 59 LYS HA H 1 4.364 0.030 . 1 . . . . 59 LYS HA . 11308 1 648 . 1 1 59 59 LYS HB2 H 1 2.825 0.030 . 2 . . . . 59 LYS HB2 . 11308 1 649 . 1 1 59 59 LYS HB3 H 1 1.930 0.030 . 2 . . . . 59 LYS HB3 . 11308 1 650 . 1 1 59 59 LYS HD2 H 1 1.802 0.030 . 2 . . . . 59 LYS HD2 . 11308 1 651 . 1 1 59 59 LYS HD3 H 1 2.074 0.030 . 2 . . . . 59 LYS HD3 . 11308 1 652 . 1 1 59 59 LYS HE2 H 1 2.858 0.030 . 1 . . . . 59 LYS HE2 . 11308 1 653 . 1 1 59 59 LYS HE3 H 1 2.858 0.030 . 1 . . . . 59 LYS HE3 . 11308 1 654 . 1 1 59 59 LYS HG2 H 1 1.218 0.030 . 2 . . . . 59 LYS HG2 . 11308 1 655 . 1 1 59 59 LYS HG3 H 1 1.926 0.030 . 2 . . . . 59 LYS HG3 . 11308 1 656 . 1 1 59 59 LYS C C 13 178.382 0.300 . 1 . . . . 59 LYS C . 11308 1 657 . 1 1 59 59 LYS CA C 13 58.983 0.300 . 1 . . . . 59 LYS CA . 11308 1 658 . 1 1 59 59 LYS CB C 13 32.202 0.300 . 1 . . . . 59 LYS CB . 11308 1 659 . 1 1 59 59 LYS CD C 13 30.343 0.300 . 1 . . . . 59 LYS CD . 11308 1 660 . 1 1 59 59 LYS CE C 13 42.615 0.300 . 1 . . . . 59 LYS CE . 11308 1 661 . 1 1 59 59 LYS CG C 13 26.662 0.300 . 1 . . . . 59 LYS CG . 11308 1 662 . 1 1 59 59 LYS N N 15 117.209 0.300 . 1 . . . . 59 LYS N . 11308 1 663 . 1 1 60 60 LEU H H 1 7.667 0.030 . 1 . . . . 60 LEU H . 11308 1 664 . 1 1 60 60 LEU HA H 1 2.983 0.030 . 1 . . . . 60 LEU HA . 11308 1 665 . 1 1 60 60 LEU HB2 H 1 0.026 0.030 . 2 . . . . 60 LEU HB2 . 11308 1 666 . 1 1 60 60 LEU HB3 H 1 1.675 0.030 . 2 . . . . 60 LEU HB3 . 11308 1 667 . 1 1 60 60 LEU HD11 H 1 0.388 0.030 . 1 . . . . 60 LEU HD1 . 11308 1 668 . 1 1 60 60 LEU HD12 H 1 0.388 0.030 . 1 . . . . 60 LEU HD1 . 11308 1 669 . 1 1 60 60 LEU HD13 H 1 0.388 0.030 . 1 . . . . 60 LEU HD1 . 11308 1 670 . 1 1 60 60 LEU HD21 H 1 -0.407 0.030 . 1 . . . . 60 LEU HD2 . 11308 1 671 . 1 1 60 60 LEU HD22 H 1 -0.407 0.030 . 1 . . . . 60 LEU HD2 . 11308 1 672 . 1 1 60 60 LEU HD23 H 1 -0.407 0.030 . 1 . . . . 60 LEU HD2 . 11308 1 673 . 1 1 60 60 LEU HG H 1 0.904 0.030 . 1 . . . . 60 LEU HG . 11308 1 674 . 1 1 60 60 LEU C C 13 177.528 0.300 . 1 . . . . 60 LEU C . 11308 1 675 . 1 1 60 60 LEU CA C 13 58.466 0.300 . 1 . . . . 60 LEU CA . 11308 1 676 . 1 1 60 60 LEU CB C 13 40.400 0.300 . 1 . . . . 60 LEU CB . 11308 1 677 . 1 1 60 60 LEU CD1 C 13 26.431 0.300 . 2 . . . . 60 LEU CD1 . 11308 1 678 . 1 1 60 60 LEU CD2 C 13 23.977 0.300 . 2 . . . . 60 LEU CD2 . 11308 1 679 . 1 1 60 60 LEU CG C 13 26.431 0.300 . 1 . . . . 60 LEU CG . 11308 1 680 . 1 1 60 60 LEU N N 15 120.181 0.300 . 1 . . . . 60 LEU N . 11308 1 681 . 1 1 61 61 ILE H H 1 7.749 0.030 . 1 . . . . 61 ILE H . 11308 1 682 . 1 1 61 61 ILE HA H 1 3.346 0.030 . 1 . . . . 61 ILE HA . 11308 1 683 . 1 1 61 61 ILE HB H 1 1.882 0.030 . 1 . . . . 61 ILE HB . 11308 1 684 . 1 1 61 61 ILE HD11 H 1 0.574 0.030 . 1 . . . . 61 ILE HD1 . 11308 1 685 . 1 1 61 61 ILE HD12 H 1 0.574 0.030 . 1 . . . . 61 ILE HD1 . 11308 1 686 . 1 1 61 61 ILE HD13 H 1 0.574 0.030 . 1 . . . . 61 ILE HD1 . 11308 1 687 . 1 1 61 61 ILE HG12 H 1 1.096 0.030 . 2 . . . . 61 ILE HG12 . 11308 1 688 . 1 1 61 61 ILE HG13 H 1 0.597 0.030 . 2 . . . . 61 ILE HG13 . 11308 1 689 . 1 1 61 61 ILE HG21 H 1 0.574 0.030 . 1 . . . . 61 ILE HG2 . 11308 1 690 . 1 1 61 61 ILE HG22 H 1 0.574 0.030 . 1 . . . . 61 ILE HG2 . 11308 1 691 . 1 1 61 61 ILE HG23 H 1 0.574 0.030 . 1 . . . . 61 ILE HG2 . 11308 1 692 . 1 1 61 61 ILE C C 13 178.465 0.300 . 1 . . . . 61 ILE C . 11308 1 693 . 1 1 61 61 ILE CA C 13 61.783 0.300 . 1 . . . . 61 ILE CA . 11308 1 694 . 1 1 61 61 ILE CB C 13 34.515 0.300 . 1 . . . . 61 ILE CB . 11308 1 695 . 1 1 61 61 ILE CD1 C 13 8.000 0.300 . 1 . . . . 61 ILE CD1 . 11308 1 696 . 1 1 61 61 ILE CG1 C 13 25.681 0.300 . 1 . . . . 61 ILE CG1 . 11308 1 697 . 1 1 61 61 ILE CG2 C 13 18.534 0.300 . 1 . . . . 61 ILE CG2 . 11308 1 698 . 1 1 61 61 ILE N N 15 117.067 0.300 . 1 . . . . 61 ILE N . 11308 1 699 . 1 1 62 62 ASN H H 1 8.345 0.030 . 1 . . . . 62 ASN H . 11308 1 700 . 1 1 62 62 ASN HA H 1 4.450 0.030 . 1 . . . . 62 ASN HA . 11308 1 701 . 1 1 62 62 ASN HB2 H 1 3.474 0.030 . 2 . . . . 62 ASN HB2 . 11308 1 702 . 1 1 62 62 ASN HB3 H 1 2.706 0.030 . 2 . . . . 62 ASN HB3 . 11308 1 703 . 1 1 62 62 ASN HD21 H 1 7.370 0.030 . 2 . . . . 62 ASN HD21 . 11308 1 704 . 1 1 62 62 ASN HD22 H 1 6.002 0.030 . 2 . . . . 62 ASN HD22 . 11308 1 705 . 1 1 62 62 ASN C C 13 177.445 0.300 . 1 . . . . 62 ASN C . 11308 1 706 . 1 1 62 62 ASN CA C 13 57.225 0.300 . 1 . . . . 62 ASN CA . 11308 1 707 . 1 1 62 62 ASN CB C 13 37.896 0.300 . 1 . . . . 62 ASN CB . 11308 1 708 . 1 1 62 62 ASN N N 15 117.326 0.300 . 1 . . . . 62 ASN N . 11308 1 709 . 1 1 62 62 ASN ND2 N 15 116.420 0.300 . 1 . . . . 62 ASN ND2 . 11308 1 710 . 1 1 63 63 PHE H H 1 8.854 0.030 . 1 . . . . 63 PHE H . 11308 1 711 . 1 1 63 63 PHE HA H 1 3.693 0.030 . 1 . . . . 63 PHE HA . 11308 1 712 . 1 1 63 63 PHE HB2 H 1 2.330 0.030 . 2 . . . . 63 PHE HB2 . 11308 1 713 . 1 1 63 63 PHE HB3 H 1 3.242 0.030 . 2 . . . . 63 PHE HB3 . 11308 1 714 . 1 1 63 63 PHE HD1 H 1 6.821 0.030 . 1 . . . . 63 PHE HD1 . 11308 1 715 . 1 1 63 63 PHE HD2 H 1 6.821 0.030 . 1 . . . . 63 PHE HD2 . 11308 1 716 . 1 1 63 63 PHE HE1 H 1 7.371 0.030 . 1 . . . . 63 PHE HE1 . 11308 1 717 . 1 1 63 63 PHE HE2 H 1 7.371 0.030 . 1 . . . . 63 PHE HE2 . 11308 1 718 . 1 1 63 63 PHE HZ H 1 7.428 0.030 . 1 . . . . 63 PHE HZ . 11308 1 719 . 1 1 63 63 PHE C C 13 177.445 0.300 . 1 . . . . 63 PHE C . 11308 1 720 . 1 1 63 63 PHE CA C 13 62.184 0.300 . 1 . . . . 63 PHE CA . 11308 1 721 . 1 1 63 63 PHE CB C 13 39.424 0.300 . 1 . . . . 63 PHE CB . 11308 1 722 . 1 1 63 63 PHE CD1 C 13 132.104 0.300 . 1 . . . . 63 PHE CD1 . 11308 1 723 . 1 1 63 63 PHE CD2 C 13 132.104 0.300 . 1 . . . . 63 PHE CD2 . 11308 1 724 . 1 1 63 63 PHE CE1 C 13 130.839 0.300 . 1 . . . . 63 PHE CE1 . 11308 1 725 . 1 1 63 63 PHE CE2 C 13 130.839 0.300 . 1 . . . . 63 PHE CE2 . 11308 1 726 . 1 1 63 63 PHE CZ C 13 129.771 0.300 . 1 . . . . 63 PHE CZ . 11308 1 727 . 1 1 63 63 PHE N N 15 120.894 0.300 . 1 . . . . 63 PHE N . 11308 1 728 . 1 1 64 64 ILE H H 1 8.284 0.030 . 1 . . . . 64 ILE H . 11308 1 729 . 1 1 64 64 ILE HA H 1 3.050 0.030 . 1 . . . . 64 ILE HA . 11308 1 730 . 1 1 64 64 ILE HB H 1 1.741 0.030 . 1 . . . . 64 ILE HB . 11308 1 731 . 1 1 64 64 ILE HD11 H 1 0.623 0.030 . 1 . . . . 64 ILE HD1 . 11308 1 732 . 1 1 64 64 ILE HD12 H 1 0.623 0.030 . 1 . . . . 64 ILE HD1 . 11308 1 733 . 1 1 64 64 ILE HD13 H 1 0.623 0.030 . 1 . . . . 64 ILE HD1 . 11308 1 734 . 1 1 64 64 ILE HG12 H 1 0.782 0.030 . 2 . . . . 64 ILE HG12 . 11308 1 735 . 1 1 64 64 ILE HG13 H 1 2.243 0.030 . 2 . . . . 64 ILE HG13 . 11308 1 736 . 1 1 64 64 ILE HG21 H 1 0.407 0.030 . 1 . . . . 64 ILE HG2 . 11308 1 737 . 1 1 64 64 ILE HG22 H 1 0.407 0.030 . 1 . . . . 64 ILE HG2 . 11308 1 738 . 1 1 64 64 ILE HG23 H 1 0.407 0.030 . 1 . . . . 64 ILE HG2 . 11308 1 739 . 1 1 64 64 ILE C C 13 179.643 0.300 . 1 . . . . 64 ILE C . 11308 1 740 . 1 1 64 64 ILE CA C 13 65.115 0.300 . 1 . . . . 64 ILE CA . 11308 1 741 . 1 1 64 64 ILE CB C 13 37.461 0.300 . 1 . . . . 64 ILE CB . 11308 1 742 . 1 1 64 64 ILE CD1 C 13 14.637 0.300 . 1 . . . . 64 ILE CD1 . 11308 1 743 . 1 1 64 64 ILE CG1 C 13 29.376 0.300 . 1 . . . . 64 ILE CG1 . 11308 1 744 . 1 1 64 64 ILE CG2 C 13 19.299 0.300 . 1 . . . . 64 ILE CG2 . 11308 1 745 . 1 1 64 64 ILE N N 15 120.256 0.300 . 1 . . . . 64 ILE N . 11308 1 746 . 1 1 65 65 ARG H H 1 8.658 0.030 . 1 . . . . 65 ARG H . 11308 1 747 . 1 1 65 65 ARG HA H 1 3.818 0.030 . 1 . . . . 65 ARG HA . 11308 1 748 . 1 1 65 65 ARG HB2 H 1 2.190 0.030 . 2 . . . . 65 ARG HB2 . 11308 1 749 . 1 1 65 65 ARG HB3 H 1 1.512 0.030 . 2 . . . . 65 ARG HB3 . 11308 1 750 . 1 1 65 65 ARG HD2 H 1 2.828 0.030 . 2 . . . . 65 ARG HD2 . 11308 1 751 . 1 1 65 65 ARG HD3 H 1 3.027 0.030 . 2 . . . . 65 ARG HD3 . 11308 1 752 . 1 1 65 65 ARG HE H 1 9.065 0.030 . 1 . . . . 65 ARG HE . 11308 1 753 . 1 1 65 65 ARG HG2 H 1 1.784 0.030 . 2 . . . . 65 ARG HG2 . 11308 1 754 . 1 1 65 65 ARG HG3 H 1 1.926 0.030 . 2 . . . . 65 ARG HG3 . 11308 1 755 . 1 1 65 65 ARG C C 13 178.326 0.300 . 1 . . . . 65 ARG C . 11308 1 756 . 1 1 65 65 ARG CA C 13 58.256 0.300 . 1 . . . . 65 ARG CA . 11308 1 757 . 1 1 65 65 ARG CB C 13 30.833 0.300 . 1 . . . . 65 ARG CB . 11308 1 758 . 1 1 65 65 ARG CD C 13 43.693 0.300 . 1 . . . . 65 ARG CD . 11308 1 759 . 1 1 65 65 ARG CG C 13 26.668 0.300 . 1 . . . . 65 ARG CG . 11308 1 760 . 1 1 65 65 ARG N N 15 118.092 0.300 . 1 . . . . 65 ARG N . 11308 1 761 . 1 1 65 65 ARG NE N 15 86.915 0.300 . 1 . . . . 65 ARG NE . 11308 1 762 . 1 1 66 66 LEU H H 1 8.337 0.030 . 1 . . . . 66 LEU H . 11308 1 763 . 1 1 66 66 LEU HA H 1 4.179 0.030 . 1 . . . . 66 LEU HA . 11308 1 764 . 1 1 66 66 LEU HB2 H 1 1.703 0.030 . 2 . . . . 66 LEU HB2 . 11308 1 765 . 1 1 66 66 LEU HB3 H 1 1.821 0.030 . 2 . . . . 66 LEU HB3 . 11308 1 766 . 1 1 66 66 LEU HD11 H 1 0.988 0.030 . 1 . . . . 66 LEU HD1 . 11308 1 767 . 1 1 66 66 LEU HD12 H 1 0.988 0.030 . 1 . . . . 66 LEU HD1 . 11308 1 768 . 1 1 66 66 LEU HD13 H 1 0.988 0.030 . 1 . . . . 66 LEU HD1 . 11308 1 769 . 1 1 66 66 LEU HD21 H 1 1.029 0.030 . 1 . . . . 66 LEU HD2 . 11308 1 770 . 1 1 66 66 LEU HD22 H 1 1.029 0.030 . 1 . . . . 66 LEU HD2 . 11308 1 771 . 1 1 66 66 LEU HD23 H 1 1.029 0.030 . 1 . . . . 66 LEU HD2 . 11308 1 772 . 1 1 66 66 LEU HG H 1 1.575 0.030 . 1 . . . . 66 LEU HG . 11308 1 773 . 1 1 66 66 LEU C C 13 178.326 0.300 . 1 . . . . 66 LEU C . 11308 1 774 . 1 1 66 66 LEU CA C 13 57.019 0.300 . 1 . . . . 66 LEU CA . 11308 1 775 . 1 1 66 66 LEU CB C 13 43.754 0.300 . 1 . . . . 66 LEU CB . 11308 1 776 . 1 1 66 66 LEU CD1 C 13 23.962 0.300 . 2 . . . . 66 LEU CD1 . 11308 1 777 . 1 1 66 66 LEU CD2 C 13 25.795 0.300 . 2 . . . . 66 LEU CD2 . 11308 1 778 . 1 1 66 66 LEU CG C 13 27.153 0.300 . 1 . . . . 66 LEU CG . 11308 1 779 . 1 1 66 66 LEU N N 15 117.554 0.300 . 1 . . . . 66 LEU N . 11308 1 780 . 1 1 67 67 LYS H H 1 8.183 0.030 . 1 . . . . 67 LYS H . 11308 1 781 . 1 1 67 67 LYS HA H 1 4.087 0.030 . 1 . . . . 67 LYS HA . 11308 1 782 . 1 1 67 67 LYS HB2 H 1 1.375 0.030 . 2 . . . . 67 LYS HB2 . 11308 1 783 . 1 1 67 67 LYS HB3 H 1 0.998 0.030 . 2 . . . . 67 LYS HB3 . 11308 1 784 . 1 1 67 67 LYS HD2 H 1 1.414 0.030 . 2 . . . . 67 LYS HD2 . 11308 1 785 . 1 1 67 67 LYS HD3 H 1 1.502 0.030 . 2 . . . . 67 LYS HD3 . 11308 1 786 . 1 1 67 67 LYS HE2 H 1 3.028 0.030 . 2 . . . . 67 LYS HE2 . 11308 1 787 . 1 1 67 67 LYS HE3 H 1 2.925 0.030 . 2 . . . . 67 LYS HE3 . 11308 1 788 . 1 1 67 67 LYS HG2 H 1 1.084 0.030 . 1 . . . . 67 LYS HG2 . 11308 1 789 . 1 1 67 67 LYS HG3 H 1 1.084 0.030 . 1 . . . . 67 LYS HG3 . 11308 1 790 . 1 1 67 67 LYS C C 13 176.519 0.300 . 1 . . . . 67 LYS C . 11308 1 791 . 1 1 67 67 LYS CA C 13 54.809 0.300 . 1 . . . . 67 LYS CA . 11308 1 792 . 1 1 67 67 LYS CB C 13 31.489 0.300 . 1 . . . . 67 LYS CB . 11308 1 793 . 1 1 67 67 LYS CD C 13 27.737 0.300 . 1 . . . . 67 LYS CD . 11308 1 794 . 1 1 67 67 LYS CE C 13 42.347 0.300 . 1 . . . . 67 LYS CE . 11308 1 795 . 1 1 67 67 LYS CG C 13 24.699 0.300 . 1 . . . . 67 LYS CG . 11308 1 796 . 1 1 67 67 LYS N N 15 114.096 0.300 . 1 . . . . 67 LYS N . 11308 1 797 . 1 1 68 68 ASN H H 1 7.990 0.030 . 1 . . . . 68 ASN H . 11308 1 798 . 1 1 68 68 ASN HA H 1 4.579 0.030 . 1 . . . . 68 ASN HA . 11308 1 799 . 1 1 68 68 ASN HB2 H 1 2.617 0.030 . 2 . . . . 68 ASN HB2 . 11308 1 800 . 1 1 68 68 ASN HB3 H 1 2.784 0.030 . 2 . . . . 68 ASN HB3 . 11308 1 801 . 1 1 68 68 ASN HD21 H 1 7.380 0.030 . 2 . . . . 68 ASN HD21 . 11308 1 802 . 1 1 68 68 ASN HD22 H 1 6.516 0.030 . 2 . . . . 68 ASN HD22 . 11308 1 803 . 1 1 68 68 ASN C C 13 176.519 0.300 . 1 . . . . 68 ASN C . 11308 1 804 . 1 1 68 68 ASN CA C 13 54.475 0.300 . 1 . . . . 68 ASN CA . 11308 1 805 . 1 1 68 68 ASN CB C 13 38.730 0.300 . 1 . . . . 68 ASN CB . 11308 1 806 . 1 1 68 68 ASN N N 15 115.190 0.300 . 1 . . . . 68 ASN N . 11308 1 807 . 1 1 68 68 ASN ND2 N 15 111.709 0.300 . 1 . . . . 68 ASN ND2 . 11308 1 808 . 1 1 69 69 PRO HA H 1 4.577 0.030 . 1 . . . . 69 PRO HA . 11308 1 809 . 1 1 69 69 PRO HB2 H 1 2.245 0.030 . 2 . . . . 69 PRO HB2 . 11308 1 810 . 1 1 69 69 PRO HB3 H 1 2.021 0.030 . 2 . . . . 69 PRO HB3 . 11308 1 811 . 1 1 69 69 PRO HD2 H 1 2.984 0.030 . 2 . . . . 69 PRO HD2 . 11308 1 812 . 1 1 69 69 PRO HD3 H 1 3.901 0.030 . 2 . . . . 69 PRO HD3 . 11308 1 813 . 1 1 69 69 PRO HG2 H 1 1.860 0.030 . 2 . . . . 69 PRO HG2 . 11308 1 814 . 1 1 69 69 PRO HG3 H 1 2.117 0.030 . 2 . . . . 69 PRO HG3 . 11308 1 815 . 1 1 69 69 PRO C C 13 176.942 0.300 . 1 . . . . 69 PRO C . 11308 1 816 . 1 1 69 69 PRO CA C 13 62.339 0.300 . 1 . . . . 69 PRO CA . 11308 1 817 . 1 1 69 69 PRO CB C 13 33.412 0.300 . 1 . . . . 69 PRO CB . 11308 1 818 . 1 1 69 69 PRO CD C 13 51.431 0.300 . 1 . . . . 69 PRO CD . 11308 1 819 . 1 1 69 69 PRO CG C 13 27.889 0.300 . 1 . . . . 69 PRO CG . 11308 1 820 . 1 1 70 70 THR H H 1 8.138 0.030 . 1 . . . . 70 THR H . 11308 1 821 . 1 1 70 70 THR HA H 1 4.565 0.030 . 1 . . . . 70 THR HA . 11308 1 822 . 1 1 70 70 THR HB H 1 4.814 0.030 . 1 . . . . 70 THR HB . 11308 1 823 . 1 1 70 70 THR HG21 H 1 1.424 0.030 . 1 . . . . 70 THR HG2 . 11308 1 824 . 1 1 70 70 THR HG22 H 1 1.424 0.030 . 1 . . . . 70 THR HG2 . 11308 1 825 . 1 1 70 70 THR HG23 H 1 1.424 0.030 . 1 . . . . 70 THR HG2 . 11308 1 826 . 1 1 70 70 THR C C 13 176.445 0.300 . 1 . . . . 70 THR C . 11308 1 827 . 1 1 70 70 THR CA C 13 60.326 0.300 . 1 . . . . 70 THR CA . 11308 1 828 . 1 1 70 70 THR CB C 13 71.161 0.300 . 1 . . . . 70 THR CB . 11308 1 829 . 1 1 70 70 THR CG2 C 13 22.206 0.300 . 1 . . . . 70 THR CG2 . 11308 1 830 . 1 1 70 70 THR N N 15 108.304 0.300 . 1 . . . . 70 THR N . 11308 1 831 . 1 1 71 71 VAL H H 1 8.702 0.030 . 1 . . . . 71 VAL H . 11308 1 832 . 1 1 71 71 VAL HA H 1 3.076 0.030 . 1 . . . . 71 VAL HA . 11308 1 833 . 1 1 71 71 VAL HB H 1 1.668 0.030 . 1 . . . . 71 VAL HB . 11308 1 834 . 1 1 71 71 VAL HG11 H 1 0.833 0.030 . 1 . . . . 71 VAL HG1 . 11308 1 835 . 1 1 71 71 VAL HG12 H 1 0.833 0.030 . 1 . . . . 71 VAL HG1 . 11308 1 836 . 1 1 71 71 VAL HG13 H 1 0.833 0.030 . 1 . . . . 71 VAL HG1 . 11308 1 837 . 1 1 71 71 VAL HG21 H 1 0.143 0.030 . 1 . . . . 71 VAL HG2 . 11308 1 838 . 1 1 71 71 VAL HG22 H 1 0.143 0.030 . 1 . . . . 71 VAL HG2 . 11308 1 839 . 1 1 71 71 VAL HG23 H 1 0.143 0.030 . 1 . . . . 71 VAL HG2 . 11308 1 840 . 1 1 71 71 VAL C C 13 177.842 0.300 . 1 . . . . 71 VAL C . 11308 1 841 . 1 1 71 71 VAL CA C 13 67.127 0.300 . 1 . . . . 71 VAL CA . 11308 1 842 . 1 1 71 71 VAL CB C 13 31.274 0.300 . 1 . . . . 71 VAL CB . 11308 1 843 . 1 1 71 71 VAL CG1 C 13 21.263 0.300 . 2 . . . . 71 VAL CG1 . 11308 1 844 . 1 1 71 71 VAL CG2 C 13 21.753 0.300 . 2 . . . . 71 VAL CG2 . 11308 1 845 . 1 1 71 71 VAL N N 15 122.142 0.300 . 1 . . . . 71 VAL N . 11308 1 846 . 1 1 72 72 GLU H H 1 8.583 0.030 . 1 . . . . 72 GLU H . 11308 1 847 . 1 1 72 72 GLU HA H 1 4.007 0.030 . 1 . . . . 72 GLU HA . 11308 1 848 . 1 1 72 72 GLU HB2 H 1 2.120 0.030 . 2 . . . . 72 GLU HB2 . 11308 1 849 . 1 1 72 72 GLU HB3 H 1 1.967 0.030 . 2 . . . . 72 GLU HB3 . 11308 1 850 . 1 1 72 72 GLU HG2 H 1 2.307 0.030 . 2 . . . . 72 GLU HG2 . 11308 1 851 . 1 1 72 72 GLU HG3 H 1 2.392 0.030 . 2 . . . . 72 GLU HG3 . 11308 1 852 . 1 1 72 72 GLU C C 13 179.686 0.300 . 1 . . . . 72 GLU C . 11308 1 853 . 1 1 72 72 GLU CA C 13 60.191 0.300 . 1 . . . . 72 GLU CA . 11308 1 854 . 1 1 72 72 GLU CB C 13 28.871 0.300 . 1 . . . . 72 GLU CB . 11308 1 855 . 1 1 72 72 GLU CG C 13 36.738 0.300 . 1 . . . . 72 GLU CG . 11308 1 856 . 1 1 72 72 GLU N N 15 118.560 0.300 . 1 . . . . 72 GLU N . 11308 1 857 . 1 1 73 73 TYR H H 1 8.142 0.030 . 1 . . . . 73 TYR H . 11308 1 858 . 1 1 73 73 TYR HA H 1 4.206 0.030 . 1 . . . . 73 TYR HA . 11308 1 859 . 1 1 73 73 TYR HB2 H 1 3.204 0.030 . 2 . . . . 73 TYR HB2 . 11308 1 860 . 1 1 73 73 TYR HB3 H 1 3.268 0.030 . 2 . . . . 73 TYR HB3 . 11308 1 861 . 1 1 73 73 TYR HD1 H 1 7.214 0.030 . 1 . . . . 73 TYR HD1 . 11308 1 862 . 1 1 73 73 TYR HD2 H 1 7.214 0.030 . 1 . . . . 73 TYR HD2 . 11308 1 863 . 1 1 73 73 TYR HE1 H 1 6.882 0.030 . 1 . . . . 73 TYR HE1 . 11308 1 864 . 1 1 73 73 TYR HE2 H 1 6.882 0.030 . 1 . . . . 73 TYR HE2 . 11308 1 865 . 1 1 73 73 TYR C C 13 179.091 0.300 . 1 . . . . 73 TYR C . 11308 1 866 . 1 1 73 73 TYR CA C 13 61.268 0.300 . 1 . . . . 73 TYR CA . 11308 1 867 . 1 1 73 73 TYR CB C 13 38.329 0.300 . 1 . . . . 73 TYR CB . 11308 1 868 . 1 1 73 73 TYR CD1 C 13 133.723 0.300 . 1 . . . . 73 TYR CD1 . 11308 1 869 . 1 1 73 73 TYR CD2 C 13 133.723 0.300 . 1 . . . . 73 TYR CD2 . 11308 1 870 . 1 1 73 73 TYR CE1 C 13 118.352 0.300 . 1 . . . . 73 TYR CE1 . 11308 1 871 . 1 1 73 73 TYR CE2 C 13 118.352 0.300 . 1 . . . . 73 TYR CE2 . 11308 1 872 . 1 1 73 73 TYR N N 15 120.943 0.300 . 1 . . . . 73 TYR N . 11308 1 873 . 1 1 74 74 MET H H 1 8.074 0.030 . 1 . . . . 74 MET H . 11308 1 874 . 1 1 74 74 MET HA H 1 4.572 0.030 . 1 . . . . 74 MET HA . 11308 1 875 . 1 1 74 74 MET HB2 H 1 2.216 0.030 . 2 . . . . 74 MET HB2 . 11308 1 876 . 1 1 74 74 MET HB3 H 1 2.565 0.030 . 2 . . . . 74 MET HB3 . 11308 1 877 . 1 1 74 74 MET HE1 H 1 2.051 0.030 . 1 . . . . 74 MET HE . 11308 1 878 . 1 1 74 74 MET HE2 H 1 2.051 0.030 . 1 . . . . 74 MET HE . 11308 1 879 . 1 1 74 74 MET HE3 H 1 2.051 0.030 . 1 . . . . 74 MET HE . 11308 1 880 . 1 1 74 74 MET HG2 H 1 3.133 0.030 . 2 . . . . 74 MET HG2 . 11308 1 881 . 1 1 74 74 MET HG3 H 1 2.671 0.030 . 2 . . . . 74 MET HG3 . 11308 1 882 . 1 1 74 74 MET C C 13 179.091 0.300 . 1 . . . . 74 MET C . 11308 1 883 . 1 1 74 74 MET CA C 13 55.839 0.300 . 1 . . . . 74 MET CA . 11308 1 884 . 1 1 74 74 MET CB C 13 29.362 0.300 . 1 . . . . 74 MET CB . 11308 1 885 . 1 1 74 74 MET CE C 13 16.703 0.300 . 1 . . . . 74 MET CE . 11308 1 886 . 1 1 74 74 MET CG C 13 31.585 0.300 . 1 . . . . 74 MET CG . 11308 1 887 . 1 1 74 74 MET N N 15 116.880 0.300 . 1 . . . . 74 MET N . 11308 1 888 . 1 1 75 75 ASN H H 1 8.671 0.030 . 1 . . . . 75 ASN H . 11308 1 889 . 1 1 75 75 ASN HA H 1 4.733 0.030 . 1 . . . . 75 ASN HA . 11308 1 890 . 1 1 75 75 ASN HB2 H 1 2.861 0.030 . 2 . . . . 75 ASN HB2 . 11308 1 891 . 1 1 75 75 ASN HB3 H 1 2.954 0.030 . 2 . . . . 75 ASN HB3 . 11308 1 892 . 1 1 75 75 ASN HD21 H 1 7.573 0.030 . 2 . . . . 75 ASN HD21 . 11308 1 893 . 1 1 75 75 ASN HD22 H 1 6.771 0.030 . 2 . . . . 75 ASN HD22 . 11308 1 894 . 1 1 75 75 ASN C C 13 176.038 0.300 . 1 . . . . 75 ASN C . 11308 1 895 . 1 1 75 75 ASN CA C 13 54.372 0.300 . 1 . . . . 75 ASN CA . 11308 1 896 . 1 1 75 75 ASN CB C 13 38.442 0.300 . 1 . . . . 75 ASN CB . 11308 1 897 . 1 1 75 75 ASN ND2 N 15 110.162 0.300 . 1 . . . . 75 ASN ND2 . 11308 1 898 . 1 1 76 76 SER H H 1 7.642 0.030 . 1 . . . . 76 SER H . 11308 1 899 . 1 1 76 76 SER HA H 1 4.593 0.030 . 1 . . . . 76 SER HA . 11308 1 900 . 1 1 76 76 SER HB2 H 1 3.940 0.030 . 2 . . . . 76 SER HB2 . 11308 1 901 . 1 1 76 76 SER HB3 H 1 4.017 0.030 . 2 . . . . 76 SER HB3 . 11308 1 902 . 1 1 76 76 SER C C 13 173.947 0.300 . 1 . . . . 76 SER C . 11308 1 903 . 1 1 76 76 SER CA C 13 58.313 0.300 . 1 . . . . 76 SER CA . 11308 1 904 . 1 1 76 76 SER CB C 13 64.457 0.300 . 1 . . . . 76 SER CB . 11308 1 905 . 1 1 76 76 SER N N 15 114.466 0.300 . 1 . . . . 76 SER N . 11308 1 906 . 1 1 77 77 ILE H H 1 7.066 0.030 . 1 . . . . 77 ILE H . 11308 1 907 . 1 1 77 77 ILE HA H 1 3.835 0.030 . 1 . . . . 77 ILE HA . 11308 1 908 . 1 1 77 77 ILE HB H 1 1.838 0.030 . 1 . . . . 77 ILE HB . 11308 1 909 . 1 1 77 77 ILE HD11 H 1 0.716 0.030 . 1 . . . . 77 ILE HD1 . 11308 1 910 . 1 1 77 77 ILE HD12 H 1 0.716 0.030 . 1 . . . . 77 ILE HD1 . 11308 1 911 . 1 1 77 77 ILE HD13 H 1 0.716 0.030 . 1 . . . . 77 ILE HD1 . 11308 1 912 . 1 1 77 77 ILE HG12 H 1 1.454 0.030 . 1 . . . . 77 ILE HG12 . 11308 1 913 . 1 1 77 77 ILE HG13 H 1 1.454 0.030 . 1 . . . . 77 ILE HG13 . 11308 1 914 . 1 1 77 77 ILE HG21 H 1 0.719 0.030 . 1 . . . . 77 ILE HG2 . 11308 1 915 . 1 1 77 77 ILE HG22 H 1 0.719 0.030 . 1 . . . . 77 ILE HG2 . 11308 1 916 . 1 1 77 77 ILE HG23 H 1 0.719 0.030 . 1 . . . . 77 ILE HG2 . 11308 1 917 . 1 1 77 77 ILE C C 13 175.133 0.300 . 1 . . . . 77 ILE C . 11308 1 918 . 1 1 77 77 ILE CA C 13 60.939 0.300 . 1 . . . . 77 ILE CA . 11308 1 919 . 1 1 77 77 ILE CB C 13 38.187 0.300 . 1 . . . . 77 ILE CB . 11308 1 920 . 1 1 77 77 ILE CD1 C 13 13.409 0.300 . 1 . . . . 77 ILE CD1 . 11308 1 921 . 1 1 77 77 ILE CG1 C 13 27.819 0.300 . 1 . . . . 77 ILE CG1 . 11308 1 922 . 1 1 77 77 ILE CG2 C 13 18.808 0.300 . 1 . . . . 77 ILE CG2 . 11308 1 923 . 1 1 77 77 ILE N N 15 122.501 0.300 . 1 . . . . 77 ILE N . 11308 1 924 . 1 1 78 78 TYR H H 1 8.185 0.030 . 1 . . . . 78 TYR H . 11308 1 925 . 1 1 78 78 TYR HA H 1 4.717 0.030 . 1 . . . . 78 TYR HA . 11308 1 926 . 1 1 78 78 TYR HB2 H 1 2.950 0.030 . 2 . . . . 78 TYR HB2 . 11308 1 927 . 1 1 78 78 TYR HB3 H 1 3.068 0.030 . 2 . . . . 78 TYR HB3 . 11308 1 928 . 1 1 78 78 TYR HD1 H 1 7.201 0.030 . 1 . . . . 78 TYR HD1 . 11308 1 929 . 1 1 78 78 TYR HD2 H 1 7.201 0.030 . 1 . . . . 78 TYR HD2 . 11308 1 930 . 1 1 78 78 TYR HE1 H 1 6.808 0.030 . 1 . . . . 78 TYR HE1 . 11308 1 931 . 1 1 78 78 TYR HE2 H 1 6.808 0.030 . 1 . . . . 78 TYR HE2 . 11308 1 932 . 1 1 78 78 TYR C C 13 173.002 0.300 . 1 . . . . 78 TYR C . 11308 1 933 . 1 1 78 78 TYR CA C 13 56.830 0.300 . 1 . . . . 78 TYR CA . 11308 1 934 . 1 1 78 78 TYR CB C 13 40.041 0.300 . 1 . . . . 78 TYR CB . 11308 1 935 . 1 1 78 78 TYR CD1 C 13 133.827 0.300 . 1 . . . . 78 TYR CD1 . 11308 1 936 . 1 1 78 78 TYR CD2 C 13 133.827 0.300 . 1 . . . . 78 TYR CD2 . 11308 1 937 . 1 1 78 78 TYR CE1 C 13 118.114 0.300 . 1 . . . . 78 TYR CE1 . 11308 1 938 . 1 1 78 78 TYR CE2 C 13 118.114 0.300 . 1 . . . . 78 TYR CE2 . 11308 1 939 . 1 1 78 78 TYR N N 15 125.899 0.300 . 1 . . . . 78 TYR N . 11308 1 940 . 1 1 79 79 ASN H H 1 7.852 0.030 . 1 . . . . 79 ASN H . 11308 1 941 . 1 1 79 79 ASN HA H 1 4.444 0.030 . 1 . . . . 79 ASN HA . 11308 1 942 . 1 1 79 79 ASN HB2 H 1 2.581 0.030 . 2 . . . . 79 ASN HB2 . 11308 1 943 . 1 1 79 79 ASN HB3 H 1 2.641 0.030 . 2 . . . . 79 ASN HB3 . 11308 1 944 . 1 1 79 79 ASN HD21 H 1 6.932 0.030 . 2 . . . . 79 ASN HD21 . 11308 1 945 . 1 1 79 79 ASN HD22 H 1 7.545 0.030 . 2 . . . . 79 ASN HD22 . 11308 1 946 . 1 1 79 79 ASN C C 13 173.002 0.300 . 1 . . . . 79 ASN C . 11308 1 947 . 1 1 79 79 ASN CA C 13 52.186 0.300 . 1 . . . . 79 ASN CA . 11308 1 948 . 1 1 79 79 ASN CB C 13 39.424 0.300 . 1 . . . . 79 ASN CB . 11308 1 949 . 1 1 79 79 ASN N N 15 117.153 0.300 . 1 . . . . 79 ASN N . 11308 1 950 . 1 1 79 79 ASN ND2 N 15 113.197 0.300 . 1 . . . . 79 ASN ND2 . 11308 1 951 . 1 1 80 80 PRO HA H 1 4.633 0.030 . 1 . . . . 80 PRO HA . 11308 1 952 . 1 1 80 80 PRO HB2 H 1 1.960 0.030 . 2 . . . . 80 PRO HB2 . 11308 1 953 . 1 1 80 80 PRO HB3 H 1 2.233 0.030 . 2 . . . . 80 PRO HB3 . 11308 1 954 . 1 1 80 80 PRO HD2 H 1 3.450 0.030 . 2 . . . . 80 PRO HD2 . 11308 1 955 . 1 1 80 80 PRO HD3 H 1 3.578 0.030 . 2 . . . . 80 PRO HD3 . 11308 1 956 . 1 1 80 80 PRO HG2 H 1 1.879 0.030 . 1 . . . . 80 PRO HG2 . 11308 1 957 . 1 1 80 80 PRO HG3 H 1 1.879 0.030 . 1 . . . . 80 PRO HG3 . 11308 1 958 . 1 1 80 80 PRO C C 13 176.242 0.300 . 1 . . . . 80 PRO C . 11308 1 959 . 1 1 80 80 PRO CA C 13 61.868 0.300 . 1 . . . . 80 PRO CA . 11308 1 960 . 1 1 80 80 PRO CB C 13 33.988 0.300 . 1 . . . . 80 PRO CB . 11308 1 961 . 1 1 80 80 PRO CD C 13 50.491 0.300 . 1 . . . . 80 PRO CD . 11308 1 962 . 1 1 80 80 PRO CG C 13 24.799 0.300 . 1 . . . . 80 PRO CG . 11308 1 963 . 1 1 81 81 VAL H H 1 8.343 0.030 . 1 . . . . 81 VAL H . 11308 1 964 . 1 1 81 81 VAL HA H 1 3.721 0.030 . 1 . . . . 81 VAL HA . 11308 1 965 . 1 1 81 81 VAL HB H 1 -0.395 0.030 . 1 . . . . 81 VAL HB . 11308 1 966 . 1 1 81 81 VAL HG11 H 1 0.206 0.030 . 1 . . . . 81 VAL HG1 . 11308 1 967 . 1 1 81 81 VAL HG12 H 1 0.206 0.030 . 1 . . . . 81 VAL HG1 . 11308 1 968 . 1 1 81 81 VAL HG13 H 1 0.206 0.030 . 1 . . . . 81 VAL HG1 . 11308 1 969 . 1 1 81 81 VAL HG21 H 1 -0.084 0.030 . 1 . . . . 81 VAL HG2 . 11308 1 970 . 1 1 81 81 VAL HG22 H 1 -0.084 0.030 . 1 . . . . 81 VAL HG2 . 11308 1 971 . 1 1 81 81 VAL HG23 H 1 -0.084 0.030 . 1 . . . . 81 VAL HG2 . 11308 1 972 . 1 1 81 81 VAL C C 13 176.242 0.300 . 1 . . . . 81 VAL C . 11308 1 973 . 1 1 81 81 VAL CA C 13 58.724 0.300 . 1 . . . . 81 VAL CA . 11308 1 974 . 1 1 81 81 VAL CB C 13 29.467 0.300 . 1 . . . . 81 VAL CB . 11308 1 975 . 1 1 81 81 VAL CG1 C 13 22.259 0.300 . 2 . . . . 81 VAL CG1 . 11308 1 976 . 1 1 81 81 VAL CG2 C 13 17.827 0.300 . 2 . . . . 81 VAL CG2 . 11308 1 977 . 1 1 81 81 VAL N N 15 118.641 0.300 . 1 . . . . 81 VAL N . 11308 1 978 . 1 1 82 82 PRO HA H 1 4.243 0.030 . 1 . . . . 82 PRO HA . 11308 1 979 . 1 1 82 82 PRO HB2 H 1 1.840 0.030 . 2 . . . . 82 PRO HB2 . 11308 1 980 . 1 1 82 82 PRO HB3 H 1 2.188 0.030 . 2 . . . . 82 PRO HB3 . 11308 1 981 . 1 1 82 82 PRO HD2 H 1 2.888 0.030 . 2 . . . . 82 PRO HD2 . 11308 1 982 . 1 1 82 82 PRO HD3 H 1 3.400 0.030 . 2 . . . . 82 PRO HD3 . 11308 1 983 . 1 1 82 82 PRO HG2 H 1 2.227 0.030 . 2 . . . . 82 PRO HG2 . 11308 1 984 . 1 1 82 82 PRO HG3 H 1 1.185 0.030 . 2 . . . . 82 PRO HG3 . 11308 1 985 . 1 1 82 82 PRO C C 13 175.935 0.300 . 1 . . . . 82 PRO C . 11308 1 986 . 1 1 82 82 PRO CA C 13 63.967 0.300 . 1 . . . . 82 PRO CA . 11308 1 987 . 1 1 82 82 PRO CB C 13 31.274 0.300 . 1 . . . . 82 PRO CB . 11308 1 988 . 1 1 82 82 PRO CD C 13 50.520 0.300 . 1 . . . . 82 PRO CD . 11308 1 989 . 1 1 82 82 PRO CG C 13 27.326 0.300 . 1 . . . . 82 PRO CG . 11308 1 990 . 1 1 83 83 TRP H H 1 5.568 0.030 . 1 . . . . 83 TRP H . 11308 1 991 . 1 1 83 83 TRP HA H 1 4.448 0.030 . 1 . . . . 83 TRP HA . 11308 1 992 . 1 1 83 83 TRP HB2 H 1 3.303 0.030 . 2 . . . . 83 TRP HB2 . 11308 1 993 . 1 1 83 83 TRP HB3 H 1 2.109 0.030 . 2 . . . . 83 TRP HB3 . 11308 1 994 . 1 1 83 83 TRP HD1 H 1 6.913 0.030 . 1 . . . . 83 TRP HD1 . 11308 1 995 . 1 1 83 83 TRP HE1 H 1 9.944 0.030 . 1 . . . . 83 TRP HE1 . 11308 1 996 . 1 1 83 83 TRP HE3 H 1 6.569 0.030 . 1 . . . . 83 TRP HE3 . 11308 1 997 . 1 1 83 83 TRP HH2 H 1 5.955 0.030 . 1 . . . . 83 TRP HH2 . 11308 1 998 . 1 1 83 83 TRP HZ2 H 1 6.850 0.030 . 1 . . . . 83 TRP HZ2 . 11308 1 999 . 1 1 83 83 TRP HZ3 H 1 6.640 0.030 . 1 . . . . 83 TRP HZ3 . 11308 1 1000 . 1 1 83 83 TRP C C 13 174.440 0.300 . 1 . . . . 83 TRP C . 11308 1 1001 . 1 1 83 83 TRP CA C 13 57.209 0.300 . 1 . . . . 83 TRP CA . 11308 1 1002 . 1 1 83 83 TRP CB C 13 26.421 0.300 . 1 . . . . 83 TRP CB . 11308 1 1003 . 1 1 83 83 TRP CD1 C 13 127.530 0.300 . 1 . . . . 83 TRP CD1 . 11308 1 1004 . 1 1 83 83 TRP CE3 C 13 117.670 0.300 . 1 . . . . 83 TRP CE3 . 11308 1 1005 . 1 1 83 83 TRP CH2 C 13 123.711 0.300 . 1 . . . . 83 TRP CH2 . 11308 1 1006 . 1 1 83 83 TRP CZ2 C 13 114.612 0.300 . 1 . . . . 83 TRP CZ2 . 11308 1 1007 . 1 1 83 83 TRP CZ3 C 13 121.642 0.300 . 1 . . . . 83 TRP CZ3 . 11308 1 1008 . 1 1 83 83 TRP N N 15 111.808 0.300 . 1 . . . . 83 TRP N . 11308 1 1009 . 1 1 83 83 TRP NE1 N 15 132.765 0.300 . 1 . . . . 83 TRP NE1 . 11308 1 1010 . 1 1 84 84 GLU H H 1 6.346 0.030 . 1 . . . . 84 GLU H . 11308 1 1011 . 1 1 84 84 GLU HA H 1 4.296 0.030 . 1 . . . . 84 GLU HA . 11308 1 1012 . 1 1 84 84 GLU HB2 H 1 1.485 0.030 . 2 . . . . 84 GLU HB2 . 11308 1 1013 . 1 1 84 84 GLU HB3 H 1 2.011 0.030 . 2 . . . . 84 GLU HB3 . 11308 1 1014 . 1 1 84 84 GLU HG2 H 1 1.944 0.030 . 2 . . . . 84 GLU HG2 . 11308 1 1015 . 1 1 84 84 GLU HG3 H 1 2.087 0.030 . 2 . . . . 84 GLU HG3 . 11308 1 1016 . 1 1 84 84 GLU C C 13 176.155 0.300 . 1 . . . . 84 GLU C . 11308 1 1017 . 1 1 84 84 GLU CA C 13 56.390 0.300 . 1 . . . . 84 GLU CA . 11308 1 1018 . 1 1 84 84 GLU CB C 13 27.970 0.300 . 1 . . . . 84 GLU CB . 11308 1 1019 . 1 1 84 84 GLU CG C 13 35.988 0.300 . 1 . . . . 84 GLU CG . 11308 1 1020 . 1 1 84 84 GLU N N 15 121.985 0.300 . 1 . . . . 84 GLU N . 11308 1 1021 . 1 1 85 85 LYS H H 1 8.136 0.030 . 1 . . . . 85 LYS H . 11308 1 1022 . 1 1 85 85 LYS HA H 1 4.468 0.030 . 1 . . . . 85 LYS HA . 11308 1 1023 . 1 1 85 85 LYS HB2 H 1 1.670 0.030 . 2 . . . . 85 LYS HB2 . 11308 1 1024 . 1 1 85 85 LYS HB3 H 1 2.048 0.030 . 2 . . . . 85 LYS HB3 . 11308 1 1025 . 1 1 85 85 LYS HD2 H 1 1.742 0.030 . 1 . . . . 85 LYS HD2 . 11308 1 1026 . 1 1 85 85 LYS HD3 H 1 1.742 0.030 . 1 . . . . 85 LYS HD3 . 11308 1 1027 . 1 1 85 85 LYS HE2 H 1 2.861 0.030 . 2 . . . . 85 LYS HE2 . 11308 1 1028 . 1 1 85 85 LYS HE3 H 1 3.028 0.030 . 2 . . . . 85 LYS HE3 . 11308 1 1029 . 1 1 85 85 LYS HG2 H 1 1.456 0.030 . 2 . . . . 85 LYS HG2 . 11308 1 1030 . 1 1 85 85 LYS HG3 H 1 1.525 0.030 . 2 . . . . 85 LYS HG3 . 11308 1 1031 . 1 1 85 85 LYS C C 13 177.301 0.300 . 1 . . . . 85 LYS C . 11308 1 1032 . 1 1 85 85 LYS CA C 13 55.905 0.300 . 1 . . . . 85 LYS CA . 11308 1 1033 . 1 1 85 85 LYS CB C 13 35.445 0.300 . 1 . . . . 85 LYS CB . 11308 1 1034 . 1 1 85 85 LYS CD C 13 29.116 0.300 . 1 . . . . 85 LYS CD . 11308 1 1035 . 1 1 85 85 LYS CE C 13 42.369 0.300 . 1 . . . . 85 LYS CE . 11308 1 1036 . 1 1 85 85 LYS CG C 13 25.204 0.300 . 1 . . . . 85 LYS CG . 11308 1 1037 . 1 1 85 85 LYS N N 15 120.756 0.300 . 1 . . . . 85 LYS N . 11308 1 1038 . 1 1 86 86 ASP H H 1 8.780 0.030 . 1 . . . . 86 ASP H . 11308 1 1039 . 1 1 86 86 ASP HA H 1 4.264 0.030 . 1 . . . . 86 ASP HA . 11308 1 1040 . 1 1 86 86 ASP HB2 H 1 2.578 0.030 . 2 . . . . 86 ASP HB2 . 11308 1 1041 . 1 1 86 86 ASP HB3 H 1 2.658 0.030 . 2 . . . . 86 ASP HB3 . 11308 1 1042 . 1 1 86 86 ASP C C 13 179.055 0.300 . 1 . . . . 86 ASP C . 11308 1 1043 . 1 1 86 86 ASP CA C 13 57.357 0.300 . 1 . . . . 86 ASP CA . 11308 1 1044 . 1 1 86 86 ASP CB C 13 39.915 0.300 . 1 . . . . 86 ASP CB . 11308 1 1045 . 1 1 86 86 ASP N N 15 122.397 0.300 . 1 . . . . 86 ASP N . 11308 1 1046 . 1 1 87 87 GLU H H 1 8.821 0.030 . 1 . . . . 87 GLU H . 11308 1 1047 . 1 1 87 87 GLU HA H 1 4.001 0.030 . 1 . . . . 87 GLU HA . 11308 1 1048 . 1 1 87 87 GLU HB2 H 1 1.740 0.030 . 2 . . . . 87 GLU HB2 . 11308 1 1049 . 1 1 87 87 GLU HB3 H 1 1.562 0.030 . 2 . . . . 87 GLU HB3 . 11308 1 1050 . 1 1 87 87 GLU HG2 H 1 1.614 0.030 . 2 . . . . 87 GLU HG2 . 11308 1 1051 . 1 1 87 87 GLU HG3 H 1 1.685 0.030 . 2 . . . . 87 GLU HG3 . 11308 1 1052 . 1 1 87 87 GLU C C 13 178.070 0.300 . 1 . . . . 87 GLU C . 11308 1 1053 . 1 1 87 87 GLU CA C 13 58.879 0.300 . 1 . . . . 87 GLU CA . 11308 1 1054 . 1 1 87 87 GLU CB C 13 29.018 0.300 . 1 . . . . 87 GLU CB . 11308 1 1055 . 1 1 87 87 GLU CG C 13 35.313 0.300 . 1 . . . . 87 GLU CG . 11308 1 1056 . 1 1 87 87 GLU N N 15 120.475 0.300 . 1 . . . . 87 GLU N . 11308 1 1057 . 1 1 88 88 TYR H H 1 7.479 0.030 . 1 . . . . 88 TYR H . 11308 1 1058 . 1 1 88 88 TYR HA H 1 4.857 0.030 . 1 . . . . 88 TYR HA . 11308 1 1059 . 1 1 88 88 TYR HB2 H 1 3.108 0.030 . 2 . . . . 88 TYR HB2 . 11308 1 1060 . 1 1 88 88 TYR HB3 H 1 4.260 0.030 . 2 . . . . 88 TYR HB3 . 11308 1 1061 . 1 1 88 88 TYR HD1 H 1 7.276 0.030 . 1 . . . . 88 TYR HD1 . 11308 1 1062 . 1 1 88 88 TYR HD2 H 1 7.276 0.030 . 1 . . . . 88 TYR HD2 . 11308 1 1063 . 1 1 88 88 TYR HE1 H 1 6.988 0.030 . 1 . . . . 88 TYR HE1 . 11308 1 1064 . 1 1 88 88 TYR HE2 H 1 6.988 0.030 . 1 . . . . 88 TYR HE2 . 11308 1 1065 . 1 1 88 88 TYR C C 13 174.118 0.300 . 1 . . . . 88 TYR C . 11308 1 1066 . 1 1 88 88 TYR CA C 13 58.907 0.300 . 1 . . . . 88 TYR CA . 11308 1 1067 . 1 1 88 88 TYR CB C 13 36.485 0.300 . 1 . . . . 88 TYR CB . 11308 1 1068 . 1 1 88 88 TYR CD1 C 13 132.490 0.300 . 1 . . . . 88 TYR CD1 . 11308 1 1069 . 1 1 88 88 TYR CD2 C 13 132.490 0.300 . 1 . . . . 88 TYR CD2 . 11308 1 1070 . 1 1 88 88 TYR CE1 C 13 118.795 0.300 . 1 . . . . 88 TYR CE1 . 11308 1 1071 . 1 1 88 88 TYR CE2 C 13 118.795 0.300 . 1 . . . . 88 TYR CE2 . 11308 1 1072 . 1 1 88 88 TYR N N 15 116.872 0.300 . 1 . . . . 88 TYR N . 11308 1 1073 . 1 1 89 89 LEU H H 1 7.790 0.030 . 1 . . . . 89 LEU H . 11308 1 1074 . 1 1 89 89 LEU HA H 1 4.274 0.030 . 1 . . . . 89 LEU HA . 11308 1 1075 . 1 1 89 89 LEU HB2 H 1 1.587 0.030 . 2 . . . . 89 LEU HB2 . 11308 1 1076 . 1 1 89 89 LEU HB3 H 1 1.866 0.030 . 2 . . . . 89 LEU HB3 . 11308 1 1077 . 1 1 89 89 LEU HD11 H 1 0.959 0.030 . 1 . . . . 89 LEU HD1 . 11308 1 1078 . 1 1 89 89 LEU HD12 H 1 0.959 0.030 . 1 . . . . 89 LEU HD1 . 11308 1 1079 . 1 1 89 89 LEU HD13 H 1 0.959 0.030 . 1 . . . . 89 LEU HD1 . 11308 1 1080 . 1 1 89 89 LEU HD21 H 1 1.075 0.030 . 1 . . . . 89 LEU HD2 . 11308 1 1081 . 1 1 89 89 LEU HD22 H 1 1.075 0.030 . 1 . . . . 89 LEU HD2 . 11308 1 1082 . 1 1 89 89 LEU HD23 H 1 1.075 0.030 . 1 . . . . 89 LEU HD2 . 11308 1 1083 . 1 1 89 89 LEU HG H 1 1.641 0.030 . 1 . . . . 89 LEU HG . 11308 1 1084 . 1 1 89 89 LEU C C 13 177.921 0.300 . 1 . . . . 89 LEU C . 11308 1 1085 . 1 1 89 89 LEU CA C 13 56.058 0.300 . 1 . . . . 89 LEU CA . 11308 1 1086 . 1 1 89 89 LEU CB C 13 42.612 0.300 . 1 . . . . 89 LEU CB . 11308 1 1087 . 1 1 89 89 LEU CD1 C 13 25.021 0.300 . 2 . . . . 89 LEU CD1 . 11308 1 1088 . 1 1 89 89 LEU CD2 C 13 23.962 0.300 . 2 . . . . 89 LEU CD2 . 11308 1 1089 . 1 1 89 89 LEU CG C 13 27.655 0.300 . 1 . . . . 89 LEU CG . 11308 1 1090 . 1 1 89 89 LEU N N 15 117.681 0.300 . 1 . . . . 89 LEU N . 11308 1 1091 . 1 1 90 90 LYS H H 1 7.058 0.030 . 1 . . . . 90 LYS H . 11308 1 1092 . 1 1 90 90 LYS HA H 1 4.508 0.030 . 1 . . . . 90 LYS HA . 11308 1 1093 . 1 1 90 90 LYS HB2 H 1 1.790 0.030 . 1 . . . . 90 LYS HB2 . 11308 1 1094 . 1 1 90 90 LYS HB3 H 1 1.790 0.030 . 1 . . . . 90 LYS HB3 . 11308 1 1095 . 1 1 90 90 LYS HD2 H 1 1.691 0.030 . 1 . . . . 90 LYS HD2 . 11308 1 1096 . 1 1 90 90 LYS HD3 H 1 1.691 0.030 . 1 . . . . 90 LYS HD3 . 11308 1 1097 . 1 1 90 90 LYS HE2 H 1 3.005 0.030 . 1 . . . . 90 LYS HE2 . 11308 1 1098 . 1 1 90 90 LYS HE3 H 1 3.005 0.030 . 1 . . . . 90 LYS HE3 . 11308 1 1099 . 1 1 90 90 LYS HG2 H 1 1.374 0.030 . 2 . . . . 90 LYS HG2 . 11308 1 1100 . 1 1 90 90 LYS HG3 H 1 1.470 0.030 . 2 . . . . 90 LYS HG3 . 11308 1 1101 . 1 1 90 90 LYS C C 13 177.921 0.300 . 1 . . . . 90 LYS C . 11308 1 1102 . 1 1 90 90 LYS CA C 13 53.904 0.300 . 1 . . . . 90 LYS CA . 11308 1 1103 . 1 1 90 90 LYS CB C 13 32.556 0.300 . 1 . . . . 90 LYS CB . 11308 1 1104 . 1 1 90 90 LYS CD C 13 29.376 0.300 . 1 . . . . 90 LYS CD . 11308 1 1105 . 1 1 90 90 LYS CE C 13 42.137 0.300 . 1 . . . . 90 LYS CE . 11308 1 1106 . 1 1 90 90 LYS CG C 13 24.468 0.300 . 1 . . . . 90 LYS CG . 11308 1 1107 . 1 1 90 90 LYS N N 15 121.439 0.300 . 1 . . . . 90 LYS N . 11308 1 1108 . 1 1 91 91 PRO HA H 1 4.464 0.030 . 1 . . . . 91 PRO HA . 11308 1 1109 . 1 1 91 91 PRO HB2 H 1 2.278 0.030 . 2 . . . . 91 PRO HB2 . 11308 1 1110 . 1 1 91 91 PRO HB3 H 1 1.784 0.030 . 2 . . . . 91 PRO HB3 . 11308 1 1111 . 1 1 91 91 PRO HD2 H 1 3.639 0.030 . 2 . . . . 91 PRO HD2 . 11308 1 1112 . 1 1 91 91 PRO HD3 H 1 4.052 0.030 . 2 . . . . 91 PRO HD3 . 11308 1 1113 . 1 1 91 91 PRO HG2 H 1 2.076 0.030 . 2 . . . . 91 PRO HG2 . 11308 1 1114 . 1 1 91 91 PRO HG3 H 1 2.153 0.030 . 2 . . . . 91 PRO HG3 . 11308 1 1115 . 1 1 91 91 PRO C C 13 178.098 0.300 . 1 . . . . 91 PRO C . 11308 1 1116 . 1 1 91 91 PRO CA C 13 63.159 0.300 . 1 . . . . 91 PRO CA . 11308 1 1117 . 1 1 91 91 PRO CB C 13 32.056 0.300 . 1 . . . . 91 PRO CB . 11308 1 1118 . 1 1 91 91 PRO CD C 13 50.750 0.300 . 1 . . . . 91 PRO CD . 11308 1 1119 . 1 1 91 91 PRO CG C 13 27.850 0.300 . 1 . . . . 91 PRO CG . 11308 1 1120 . 1 1 92 92 VAL H H 1 7.658 0.030 . 1 . . . . 92 VAL H . 11308 1 1121 . 1 1 92 92 VAL HA H 1 3.685 0.030 . 1 . . . . 92 VAL HA . 11308 1 1122 . 1 1 92 92 VAL HB H 1 2.006 0.030 . 1 . . . . 92 VAL HB . 11308 1 1123 . 1 1 92 92 VAL HG11 H 1 0.788 0.030 . 1 . . . . 92 VAL HG1 . 11308 1 1124 . 1 1 92 92 VAL HG12 H 1 0.788 0.030 . 1 . . . . 92 VAL HG1 . 11308 1 1125 . 1 1 92 92 VAL HG13 H 1 0.788 0.030 . 1 . . . . 92 VAL HG1 . 11308 1 1126 . 1 1 92 92 VAL HG21 H 1 1.187 0.030 . 1 . . . . 92 VAL HG2 . 11308 1 1127 . 1 1 92 92 VAL HG22 H 1 1.187 0.030 . 1 . . . . 92 VAL HG2 . 11308 1 1128 . 1 1 92 92 VAL HG23 H 1 1.187 0.030 . 1 . . . . 92 VAL HG2 . 11308 1 1129 . 1 1 92 92 VAL C C 13 176.636 0.300 . 1 . . . . 92 VAL C . 11308 1 1130 . 1 1 92 92 VAL CA C 13 65.178 0.300 . 1 . . . . 92 VAL CA . 11308 1 1131 . 1 1 92 92 VAL CB C 13 32.307 0.300 . 1 . . . . 92 VAL CB . 11308 1 1132 . 1 1 92 92 VAL CG1 C 13 21.017 0.300 . 2 . . . . 92 VAL CG1 . 11308 1 1133 . 1 1 92 92 VAL CG2 C 13 23.922 0.300 . 2 . . . . 92 VAL CG2 . 11308 1 1134 . 1 1 92 92 VAL N N 15 128.087 0.300 . 1 . . . . 92 VAL N . 11308 1 1135 . 1 1 93 93 LEU H H 1 8.834 0.030 . 1 . . . . 93 LEU H . 11308 1 1136 . 1 1 93 93 LEU HA H 1 4.570 0.030 . 1 . . . . 93 LEU HA . 11308 1 1137 . 1 1 93 93 LEU HB2 H 1 1.550 0.030 . 1 . . . . 93 LEU HB2 . 11308 1 1138 . 1 1 93 93 LEU HB3 H 1 1.550 0.030 . 1 . . . . 93 LEU HB3 . 11308 1 1139 . 1 1 93 93 LEU HD11 H 1 0.818 0.030 . 1 . . . . 93 LEU HD1 . 11308 1 1140 . 1 1 93 93 LEU HD12 H 1 0.818 0.030 . 1 . . . . 93 LEU HD1 . 11308 1 1141 . 1 1 93 93 LEU HD13 H 1 0.818 0.030 . 1 . . . . 93 LEU HD1 . 11308 1 1142 . 1 1 93 93 LEU HD21 H 1 0.825 0.030 . 1 . . . . 93 LEU HD2 . 11308 1 1143 . 1 1 93 93 LEU HD22 H 1 0.825 0.030 . 1 . . . . 93 LEU HD2 . 11308 1 1144 . 1 1 93 93 LEU HD23 H 1 0.825 0.030 . 1 . . . . 93 LEU HD2 . 11308 1 1145 . 1 1 93 93 LEU HG H 1 1.470 0.030 . 1 . . . . 93 LEU HG . 11308 1 1146 . 1 1 93 93 LEU C C 13 176.088 0.300 . 1 . . . . 93 LEU C . 11308 1 1147 . 1 1 93 93 LEU CA C 13 52.978 0.300 . 1 . . . . 93 LEU CA . 11308 1 1148 . 1 1 93 93 LEU CB C 13 42.615 0.300 . 1 . . . . 93 LEU CB . 11308 1 1149 . 1 1 93 93 LEU CD1 C 13 23.717 0.300 . 2 . . . . 93 LEU CD1 . 11308 1 1150 . 1 1 93 93 LEU CD2 C 13 24.453 0.300 . 2 . . . . 93 LEU CD2 . 11308 1 1151 . 1 1 93 93 LEU CG C 13 27.167 0.300 . 1 . . . . 93 LEU CG . 11308 1 1152 . 1 1 93 93 LEU N N 15 122.220 0.300 . 1 . . . . 93 LEU N . 11308 1 1153 . 1 1 94 94 GLU H H 1 8.410 0.030 . 1 . . . . 94 GLU H . 11308 1 1154 . 1 1 94 94 GLU HA H 1 3.906 0.030 . 1 . . . . 94 GLU HA . 11308 1 1155 . 1 1 94 94 GLU HB2 H 1 1.910 0.030 . 1 . . . . 94 GLU HB2 . 11308 1 1156 . 1 1 94 94 GLU HB3 H 1 1.910 0.030 . 1 . . . . 94 GLU HB3 . 11308 1 1157 . 1 1 94 94 GLU HG2 H 1 2.203 0.030 . 2 . . . . 94 GLU HG2 . 11308 1 1158 . 1 1 94 94 GLU HG3 H 1 2.267 0.030 . 2 . . . . 94 GLU HG3 . 11308 1 1159 . 1 1 94 94 GLU C C 13 176.745 0.300 . 1 . . . . 94 GLU C . 11308 1 1160 . 1 1 94 94 GLU CA C 13 57.889 0.300 . 1 . . . . 94 GLU CA . 11308 1 1161 . 1 1 94 94 GLU CB C 13 29.623 0.300 . 1 . . . . 94 GLU CB . 11308 1 1162 . 1 1 94 94 GLU CG C 13 36.283 0.300 . 1 . . . . 94 GLU CG . 11308 1 1163 . 1 1 94 94 GLU N N 15 123.464 0.300 . 1 . . . . 94 GLU N . 11308 1 1164 . 1 1 95 95 ASP H H 1 8.732 0.030 . 1 . . . . 95 ASP H . 11308 1 1165 . 1 1 95 95 ASP HA H 1 4.308 0.030 . 1 . . . . 95 ASP HA . 11308 1 1166 . 1 1 95 95 ASP HB2 H 1 2.828 0.030 . 2 . . . . 95 ASP HB2 . 11308 1 1167 . 1 1 95 95 ASP HB3 H 1 2.648 0.030 . 2 . . . . 95 ASP HB3 . 11308 1 1168 . 1 1 95 95 ASP C C 13 175.147 0.300 . 1 . . . . 95 ASP C . 11308 1 1169 . 1 1 95 95 ASP CA C 13 54.722 0.300 . 1 . . . . 95 ASP CA . 11308 1 1170 . 1 1 95 95 ASP CB C 13 39.861 0.300 . 1 . . . . 95 ASP CB . 11308 1 1171 . 1 1 95 95 ASP N N 15 120.693 0.300 . 1 . . . . 95 ASP N . 11308 1 1172 . 1 1 96 96 ASP H H 1 7.612 0.030 . 1 . . . . 96 ASP H . 11308 1 1173 . 1 1 96 96 ASP HA H 1 4.294 0.030 . 1 . . . . 96 ASP HA . 11308 1 1174 . 1 1 96 96 ASP HB2 H 1 2.882 0.030 . 2 . . . . 96 ASP HB2 . 11308 1 1175 . 1 1 96 96 ASP HB3 H 1 3.030 0.030 . 2 . . . . 96 ASP HB3 . 11308 1 1176 . 1 1 96 96 ASP C C 13 179.999 0.300 . 1 . . . . 96 ASP C . 11308 1 1177 . 1 1 96 96 ASP CA C 13 54.309 0.300 . 1 . . . . 96 ASP CA . 11308 1 1178 . 1 1 96 96 ASP CB C 13 41.512 0.300 . 1 . . . . 96 ASP CB . 11308 1 1179 . 1 1 96 96 ASP N N 15 117.312 0.300 . 1 . . . . 96 ASP N . 11308 1 1180 . 1 1 97 97 LEU H H 1 8.539 0.030 . 1 . . . . 97 LEU H . 11308 1 1181 . 1 1 97 97 LEU HA H 1 4.057 0.030 . 1 . . . . 97 LEU HA . 11308 1 1182 . 1 1 97 97 LEU HB2 H 1 1.491 0.030 . 1 . . . . 97 LEU HB2 . 11308 1 1183 . 1 1 97 97 LEU HB3 H 1 1.491 0.030 . 1 . . . . 97 LEU HB3 . 11308 1 1184 . 1 1 97 97 LEU HD11 H 1 0.721 0.030 . 1 . . . . 97 LEU HD1 . 11308 1 1185 . 1 1 97 97 LEU HD12 H 1 0.721 0.030 . 1 . . . . 97 LEU HD1 . 11308 1 1186 . 1 1 97 97 LEU HD13 H 1 0.721 0.030 . 1 . . . . 97 LEU HD1 . 11308 1 1187 . 1 1 97 97 LEU HD21 H 1 0.854 0.030 . 1 . . . . 97 LEU HD2 . 11308 1 1188 . 1 1 97 97 LEU HD22 H 1 0.854 0.030 . 1 . . . . 97 LEU HD2 . 11308 1 1189 . 1 1 97 97 LEU HD23 H 1 0.854 0.030 . 1 . . . . 97 LEU HD2 . 11308 1 1190 . 1 1 97 97 LEU HG H 1 1.749 0.030 . 1 . . . . 97 LEU HG . 11308 1 1191 . 1 1 97 97 LEU C C 13 180.693 0.300 . 1 . . . . 97 LEU C . 11308 1 1192 . 1 1 97 97 LEU CA C 13 57.553 0.300 . 1 . . . . 97 LEU CA . 11308 1 1193 . 1 1 97 97 LEU CB C 13 42.124 0.300 . 1 . . . . 97 LEU CB . 11308 1 1194 . 1 1 97 97 LEU CD1 C 13 25.026 0.300 . 2 . . . . 97 LEU CD1 . 11308 1 1195 . 1 1 97 97 LEU CD2 C 13 23.000 0.300 . 2 . . . . 97 LEU CD2 . 11308 1 1196 . 1 1 97 97 LEU CG C 13 26.907 0.300 . 1 . . . . 97 LEU CG . 11308 1 1197 . 1 1 97 97 LEU N N 15 129.176 0.300 . 1 . . . . 97 LEU N . 11308 1 1198 . 1 1 98 98 LEU H H 1 8.864 0.030 . 1 . . . . 98 LEU H . 11308 1 1199 . 1 1 98 98 LEU HA H 1 4.030 0.030 . 1 . . . . 98 LEU HA . 11308 1 1200 . 1 1 98 98 LEU HB2 H 1 1.872 0.030 . 2 . . . . 98 LEU HB2 . 11308 1 1201 . 1 1 98 98 LEU HB3 H 1 1.482 0.030 . 2 . . . . 98 LEU HB3 . 11308 1 1202 . 1 1 98 98 LEU HD11 H 1 0.706 0.030 . 1 . . . . 98 LEU HD1 . 11308 1 1203 . 1 1 98 98 LEU HD12 H 1 0.706 0.030 . 1 . . . . 98 LEU HD1 . 11308 1 1204 . 1 1 98 98 LEU HD13 H 1 0.706 0.030 . 1 . . . . 98 LEU HD1 . 11308 1 1205 . 1 1 98 98 LEU HD21 H 1 0.324 0.030 . 1 . . . . 98 LEU HD2 . 11308 1 1206 . 1 1 98 98 LEU HD22 H 1 0.324 0.030 . 1 . . . . 98 LEU HD2 . 11308 1 1207 . 1 1 98 98 LEU HD23 H 1 0.324 0.030 . 1 . . . . 98 LEU HD2 . 11308 1 1208 . 1 1 98 98 LEU HG H 1 1.704 0.030 . 1 . . . . 98 LEU HG . 11308 1 1209 . 1 1 98 98 LEU C C 13 179.879 0.300 . 1 . . . . 98 LEU C . 11308 1 1210 . 1 1 98 98 LEU CA C 13 57.556 0.300 . 1 . . . . 98 LEU CA . 11308 1 1211 . 1 1 98 98 LEU CB C 13 39.356 0.300 . 1 . . . . 98 LEU CB . 11308 1 1212 . 1 1 98 98 LEU CD1 C 13 26.154 0.300 . 2 . . . . 98 LEU CD1 . 11308 1 1213 . 1 1 98 98 LEU CD2 C 13 21.508 0.300 . 2 . . . . 98 LEU CD2 . 11308 1 1214 . 1 1 98 98 LEU CG C 13 26.431 0.300 . 1 . . . . 98 LEU CG . 11308 1 1215 . 1 1 98 98 LEU N N 15 115.777 0.300 . 1 . . . . 98 LEU N . 11308 1 1216 . 1 1 99 99 LEU H H 1 7.448 0.030 . 1 . . . . 99 LEU H . 11308 1 1217 . 1 1 99 99 LEU HA H 1 4.471 0.030 . 1 . . . . 99 LEU HA . 11308 1 1218 . 1 1 99 99 LEU HB2 H 1 1.791 0.030 . 2 . . . . 99 LEU HB2 . 11308 1 1219 . 1 1 99 99 LEU HB3 H 1 2.049 0.030 . 2 . . . . 99 LEU HB3 . 11308 1 1220 . 1 1 99 99 LEU HD11 H 1 1.285 0.030 . 1 . . . . 99 LEU HD1 . 11308 1 1221 . 1 1 99 99 LEU HD12 H 1 1.285 0.030 . 1 . . . . 99 LEU HD1 . 11308 1 1222 . 1 1 99 99 LEU HD13 H 1 1.285 0.030 . 1 . . . . 99 LEU HD1 . 11308 1 1223 . 1 1 99 99 LEU HD21 H 1 0.865 0.030 . 1 . . . . 99 LEU HD2 . 11308 1 1224 . 1 1 99 99 LEU HD22 H 1 0.865 0.030 . 1 . . . . 99 LEU HD2 . 11308 1 1225 . 1 1 99 99 LEU HD23 H 1 0.865 0.030 . 1 . . . . 99 LEU HD2 . 11308 1 1226 . 1 1 99 99 LEU HG H 1 1.640 0.030 . 1 . . . . 99 LEU HG . 11308 1 1227 . 1 1 99 99 LEU C C 13 176.730 0.300 . 1 . . . . 99 LEU C . 11308 1 1228 . 1 1 99 99 LEU CA C 13 55.822 0.300 . 1 . . . . 99 LEU CA . 11308 1 1229 . 1 1 99 99 LEU CB C 13 41.125 0.300 . 1 . . . . 99 LEU CB . 11308 1 1230 . 1 1 99 99 LEU CD1 C 13 26.009 0.300 . 2 . . . . 99 LEU CD1 . 11308 1 1231 . 1 1 99 99 LEU CD2 C 13 23.080 0.300 . 2 . . . . 99 LEU CD2 . 11308 1 1232 . 1 1 99 99 LEU CG C 13 27.167 0.300 . 1 . . . . 99 LEU CG . 11308 1 1233 . 1 1 99 99 LEU N N 15 116.381 0.300 . 1 . . . . 99 LEU N . 11308 1 1234 . 1 1 100 100 GLN H H 1 7.184 0.030 . 1 . . . . 100 GLN H . 11308 1 1235 . 1 1 100 100 GLN HA H 1 4.597 0.030 . 1 . . . . 100 GLN HA . 11308 1 1236 . 1 1 100 100 GLN HB2 H 1 2.444 0.030 . 2 . . . . 100 GLN HB2 . 11308 1 1237 . 1 1 100 100 GLN HB3 H 1 1.967 0.030 . 2 . . . . 100 GLN HB3 . 11308 1 1238 . 1 1 100 100 GLN HE21 H 1 6.904 0.030 . 2 . . . . 100 GLN HE21 . 11308 1 1239 . 1 1 100 100 GLN HE22 H 1 7.432 0.030 . 2 . . . . 100 GLN HE22 . 11308 1 1240 . 1 1 100 100 GLN HG2 H 1 2.425 0.030 . 1 . . . . 100 GLN HG2 . 11308 1 1241 . 1 1 100 100 GLN HG3 H 1 2.425 0.030 . 1 . . . . 100 GLN HG3 . 11308 1 1242 . 1 1 100 100 GLN C C 13 174.781 0.300 . 1 . . . . 100 GLN C . 11308 1 1243 . 1 1 100 100 GLN CA C 13 54.885 0.300 . 1 . . . . 100 GLN CA . 11308 1 1244 . 1 1 100 100 GLN CB C 13 29.031 0.300 . 1 . . . . 100 GLN CB . 11308 1 1245 . 1 1 100 100 GLN CG C 13 33.791 0.300 . 1 . . . . 100 GLN CG . 11308 1 1246 . 1 1 100 100 GLN N N 15 116.193 0.300 . 1 . . . . 100 GLN N . 11308 1 1247 . 1 1 100 100 GLN NE2 N 15 112.202 0.300 . 1 . . . . 100 GLN NE2 . 11308 1 1248 . 1 1 101 101 PHE H H 1 7.183 0.030 . 1 . . . . 101 PHE H . 11308 1 1249 . 1 1 101 101 PHE HA H 1 4.481 0.030 . 1 . . . . 101 PHE HA . 11308 1 1250 . 1 1 101 101 PHE HB2 H 1 3.007 0.030 . 2 . . . . 101 PHE HB2 . 11308 1 1251 . 1 1 101 101 PHE HB3 H 1 3.102 0.030 . 2 . . . . 101 PHE HB3 . 11308 1 1252 . 1 1 101 101 PHE HD1 H 1 6.987 0.030 . 1 . . . . 101 PHE HD1 . 11308 1 1253 . 1 1 101 101 PHE HD2 H 1 6.987 0.030 . 1 . . . . 101 PHE HD2 . 11308 1 1254 . 1 1 101 101 PHE HE1 H 1 7.109 0.030 . 1 . . . . 101 PHE HE1 . 11308 1 1255 . 1 1 101 101 PHE HE2 H 1 7.109 0.030 . 1 . . . . 101 PHE HE2 . 11308 1 1256 . 1 1 101 101 PHE HZ H 1 7.159 0.030 . 1 . . . . 101 PHE HZ . 11308 1 1257 . 1 1 101 101 PHE C C 13 173.451 0.300 . 1 . . . . 101 PHE C . 11308 1 1258 . 1 1 101 101 PHE CA C 13 57.624 0.300 . 1 . . . . 101 PHE CA . 11308 1 1259 . 1 1 101 101 PHE CB C 13 41.172 0.300 . 1 . . . . 101 PHE CB . 11308 1 1260 . 1 1 101 101 PHE CD1 C 13 132.094 0.300 . 1 . . . . 101 PHE CD1 . 11308 1 1261 . 1 1 101 101 PHE CD2 C 13 132.094 0.300 . 1 . . . . 101 PHE CD2 . 11308 1 1262 . 1 1 101 101 PHE CE1 C 13 131.037 0.300 . 1 . . . . 101 PHE CE1 . 11308 1 1263 . 1 1 101 101 PHE CE2 C 13 131.037 0.300 . 1 . . . . 101 PHE CE2 . 11308 1 1264 . 1 1 101 101 PHE CZ C 13 129.603 0.300 . 1 . . . . 101 PHE CZ . 11308 1 1265 . 1 1 101 101 PHE N N 15 122.097 0.300 . 1 . . . . 101 PHE N . 11308 1 1266 . 1 1 102 102 ASP H H 1 7.860 0.030 . 1 . . . . 102 ASP H . 11308 1 1267 . 1 1 102 102 ASP HA H 1 4.522 0.030 . 1 . . . . 102 ASP HA . 11308 1 1268 . 1 1 102 102 ASP HB2 H 1 2.589 0.030 . 2 . . . . 102 ASP HB2 . 11308 1 1269 . 1 1 102 102 ASP HB3 H 1 2.303 0.030 . 2 . . . . 102 ASP HB3 . 11308 1 1270 . 1 1 102 102 ASP C C 13 175.367 0.300 . 1 . . . . 102 ASP C . 11308 1 1271 . 1 1 102 102 ASP CA C 13 52.623 0.300 . 1 . . . . 102 ASP CA . 11308 1 1272 . 1 1 102 102 ASP CB C 13 40.651 0.300 . 1 . . . . 102 ASP CB . 11308 1 1273 . 1 1 102 102 ASP N N 15 126.425 0.300 . 1 . . . . 102 ASP N . 11308 1 1274 . 1 1 103 103 VAL H H 1 7.832 0.030 . 1 . . . . 103 VAL H . 11308 1 1275 . 1 1 103 103 VAL HA H 1 3.485 0.030 . 1 . . . . 103 VAL HA . 11308 1 1276 . 1 1 103 103 VAL HB H 1 1.680 0.030 . 1 . . . . 103 VAL HB . 11308 1 1277 . 1 1 103 103 VAL HG11 H 1 0.658 0.030 . 1 . . . . 103 VAL HG1 . 11308 1 1278 . 1 1 103 103 VAL HG12 H 1 0.658 0.030 . 1 . . . . 103 VAL HG1 . 11308 1 1279 . 1 1 103 103 VAL HG13 H 1 0.658 0.030 . 1 . . . . 103 VAL HG1 . 11308 1 1280 . 1 1 103 103 VAL HG21 H 1 0.718 0.030 . 1 . . . . 103 VAL HG2 . 11308 1 1281 . 1 1 103 103 VAL HG22 H 1 0.718 0.030 . 1 . . . . 103 VAL HG2 . 11308 1 1282 . 1 1 103 103 VAL HG23 H 1 0.718 0.030 . 1 . . . . 103 VAL HG2 . 11308 1 1283 . 1 1 103 103 VAL C C 13 176.163 0.300 . 1 . . . . 103 VAL C . 11308 1 1284 . 1 1 103 103 VAL CA C 13 63.076 0.300 . 1 . . . . 103 VAL CA . 11308 1 1285 . 1 1 103 103 VAL CB C 13 31.781 0.300 . 1 . . . . 103 VAL CB . 11308 1 1286 . 1 1 103 103 VAL CG1 C 13 20.772 0.300 . 2 . . . . 103 VAL CG1 . 11308 1 1287 . 1 1 103 103 VAL CG2 C 13 21.263 0.300 . 2 . . . . 103 VAL CG2 . 11308 1 1288 . 1 1 103 103 VAL N N 15 122.826 0.300 . 1 . . . . 103 VAL N . 11308 1 1289 . 1 1 104 104 GLU H H 1 8.234 0.030 . 1 . . . . 104 GLU H . 11308 1 1290 . 1 1 104 104 GLU HA H 1 3.752 0.030 . 1 . . . . 104 GLU HA . 11308 1 1291 . 1 1 104 104 GLU HB2 H 1 1.884 0.030 . 2 . . . . 104 GLU HB2 . 11308 1 1292 . 1 1 104 104 GLU HB3 H 1 1.930 0.030 . 2 . . . . 104 GLU HB3 . 11308 1 1293 . 1 1 104 104 GLU HG2 H 1 2.165 0.030 . 2 . . . . 104 GLU HG2 . 11308 1 1294 . 1 1 104 104 GLU HG3 H 1 2.288 0.030 . 2 . . . . 104 GLU HG3 . 11308 1 1295 . 1 1 104 104 GLU C C 13 177.723 0.300 . 1 . . . . 104 GLU C . 11308 1 1296 . 1 1 104 104 GLU CA C 13 58.160 0.300 . 1 . . . . 104 GLU CA . 11308 1 1297 . 1 1 104 104 GLU CB C 13 28.994 0.300 . 1 . . . . 104 GLU CB . 11308 1 1298 . 1 1 104 104 GLU CG C 13 36.800 0.300 . 1 . . . . 104 GLU CG . 11308 1 1299 . 1 1 104 104 GLU N N 15 121.183 0.300 . 1 . . . . 104 GLU N . 11308 1 1300 . 1 1 105 105 ASP H H 1 7.819 0.030 . 1 . . . . 105 ASP H . 11308 1 1301 . 1 1 105 105 ASP HA H 1 4.440 0.030 . 1 . . . . 105 ASP HA . 11308 1 1302 . 1 1 105 105 ASP HB2 H 1 2.508 0.030 . 2 . . . . 105 ASP HB2 . 11308 1 1303 . 1 1 105 105 ASP HB3 H 1 2.623 0.030 . 2 . . . . 105 ASP HB3 . 11308 1 1304 . 1 1 105 105 ASP C C 13 176.779 0.300 . 1 . . . . 105 ASP C . 11308 1 1305 . 1 1 105 105 ASP CA C 13 55.416 0.300 . 1 . . . . 105 ASP CA . 11308 1 1306 . 1 1 105 105 ASP CB C 13 40.298 0.300 . 1 . . . . 105 ASP CB . 11308 1 1307 . 1 1 105 105 ASP N N 15 118.618 0.300 . 1 . . . . 105 ASP N . 11308 1 1308 . 1 1 106 106 LEU H H 1 7.712 0.030 . 1 . . . . 106 LEU H . 11308 1 1309 . 1 1 106 106 LEU HA H 1 4.252 0.030 . 1 . . . . 106 LEU HA . 11308 1 1310 . 1 1 106 106 LEU HB2 H 1 1.653 0.030 . 2 . . . . 106 LEU HB2 . 11308 1 1311 . 1 1 106 106 LEU HB3 H 1 1.412 0.030 . 2 . . . . 106 LEU HB3 . 11308 1 1312 . 1 1 106 106 LEU HD11 H 1 0.773 0.030 . 1 . . . . 106 LEU HD1 . 11308 1 1313 . 1 1 106 106 LEU HD12 H 1 0.773 0.030 . 1 . . . . 106 LEU HD1 . 11308 1 1314 . 1 1 106 106 LEU HD13 H 1 0.773 0.030 . 1 . . . . 106 LEU HD1 . 11308 1 1315 . 1 1 106 106 LEU HD21 H 1 0.767 0.030 . 1 . . . . 106 LEU HD2 . 11308 1 1316 . 1 1 106 106 LEU HD22 H 1 0.767 0.030 . 1 . . . . 106 LEU HD2 . 11308 1 1317 . 1 1 106 106 LEU HD23 H 1 0.767 0.030 . 1 . . . . 106 LEU HD2 . 11308 1 1318 . 1 1 106 106 LEU HG H 1 1.551 0.030 . 1 . . . . 106 LEU HG . 11308 1 1319 . 1 1 106 106 LEU C C 13 177.117 0.300 . 1 . . . . 106 LEU C . 11308 1 1320 . 1 1 106 106 LEU CA C 13 55.111 0.300 . 1 . . . . 106 LEU CA . 11308 1 1321 . 1 1 106 106 LEU CB C 13 41.769 0.300 . 1 . . . . 106 LEU CB . 11308 1 1322 . 1 1 106 106 LEU CD1 C 13 26.171 0.300 . 2 . . . . 106 LEU CD1 . 11308 1 1323 . 1 1 106 106 LEU CD2 C 13 23.025 0.300 . 2 . . . . 106 LEU CD2 . 11308 1 1324 . 1 1 106 106 LEU CG C 13 26.922 0.300 . 1 . . . . 106 LEU CG . 11308 1 1325 . 1 1 106 106 LEU N N 15 118.469 0.300 . 1 . . . . 106 LEU N . 11308 1 1326 . 1 1 107 107 TYR H H 1 7.724 0.030 . 1 . . . . 107 TYR H . 11308 1 1327 . 1 1 107 107 TYR HA H 1 4.549 0.030 . 1 . . . . 107 TYR HA . 11308 1 1328 . 1 1 107 107 TYR HB2 H 1 2.950 0.030 . 2 . . . . 107 TYR HB2 . 11308 1 1329 . 1 1 107 107 TYR HB3 H 1 3.018 0.030 . 2 . . . . 107 TYR HB3 . 11308 1 1330 . 1 1 107 107 TYR HD1 H 1 7.073 0.030 . 1 . . . . 107 TYR HD1 . 11308 1 1331 . 1 1 107 107 TYR HD2 H 1 7.073 0.030 . 1 . . . . 107 TYR HD2 . 11308 1 1332 . 1 1 107 107 TYR HE1 H 1 6.727 0.030 . 1 . . . . 107 TYR HE1 . 11308 1 1333 . 1 1 107 107 TYR HE2 H 1 6.727 0.030 . 1 . . . . 107 TYR HE2 . 11308 1 1334 . 1 1 107 107 TYR C C 13 175.475 0.300 . 1 . . . . 107 TYR C . 11308 1 1335 . 1 1 107 107 TYR CA C 13 57.458 0.300 . 1 . . . . 107 TYR CA . 11308 1 1336 . 1 1 107 107 TYR CB C 13 38.515 0.300 . 1 . . . . 107 TYR CB . 11308 1 1337 . 1 1 107 107 TYR CD1 C 13 132.925 0.300 . 1 . . . . 107 TYR CD1 . 11308 1 1338 . 1 1 107 107 TYR CD2 C 13 132.925 0.300 . 1 . . . . 107 TYR CD2 . 11308 1 1339 . 1 1 107 107 TYR CE1 C 13 118.099 0.300 . 1 . . . . 107 TYR CE1 . 11308 1 1340 . 1 1 107 107 TYR CE2 C 13 118.099 0.300 . 1 . . . . 107 TYR CE2 . 11308 1 1341 . 1 1 107 107 TYR N N 15 119.565 0.300 . 1 . . . . 107 TYR N . 11308 1 1342 . 1 1 108 108 GLU H H 1 8.183 0.030 . 1 . . . . 108 GLU H . 11308 1 1343 . 1 1 108 108 GLU HA H 1 4.533 0.030 . 1 . . . . 108 GLU HA . 11308 1 1344 . 1 1 108 108 GLU HB2 H 1 1.833 0.030 . 2 . . . . 108 GLU HB2 . 11308 1 1345 . 1 1 108 108 GLU HB3 H 1 1.955 0.030 . 2 . . . . 108 GLU HB3 . 11308 1 1346 . 1 1 108 108 GLU HG2 H 1 2.209 0.030 . 1 . . . . 108 GLU HG2 . 11308 1 1347 . 1 1 108 108 GLU HG3 H 1 2.209 0.030 . 1 . . . . 108 GLU HG3 . 11308 1 1348 . 1 1 108 108 GLU C C 13 175.475 0.300 . 1 . . . . 108 GLU C . 11308 1 1349 . 1 1 108 108 GLU CA C 13 54.034 0.300 . 1 . . . . 108 GLU CA . 11308 1 1350 . 1 1 108 108 GLU CB C 13 30.100 0.300 . 1 . . . . 108 GLU CB . 11308 1 1351 . 1 1 108 108 GLU CG C 13 36.002 0.300 . 1 . . . . 108 GLU CG . 11308 1 1352 . 1 1 108 108 GLU N N 15 123.747 0.300 . 1 . . . . 108 GLU N . 11308 1 1353 . 1 1 109 109 PRO HA H 1 4.419 0.030 . 1 . . . . 109 PRO HA . 11308 1 1354 . 1 1 109 109 PRO HB2 H 1 2.279 0.030 . 2 . . . . 109 PRO HB2 . 11308 1 1355 . 1 1 109 109 PRO HB3 H 1 1.885 0.030 . 2 . . . . 109 PRO HB3 . 11308 1 1356 . 1 1 109 109 PRO HD2 H 1 3.701 0.030 . 2 . . . . 109 PRO HD2 . 11308 1 1357 . 1 1 109 109 PRO HD3 H 1 3.640 0.030 . 2 . . . . 109 PRO HD3 . 11308 1 1358 . 1 1 109 109 PRO HG2 H 1 2.009 0.030 . 1 . . . . 109 PRO HG2 . 11308 1 1359 . 1 1 109 109 PRO HG3 H 1 2.009 0.030 . 1 . . . . 109 PRO HG3 . 11308 1 1360 . 1 1 109 109 PRO C C 13 176.972 0.300 . 1 . . . . 109 PRO C . 11308 1 1361 . 1 1 109 109 PRO CA C 13 63.037 0.300 . 1 . . . . 109 PRO CA . 11308 1 1362 . 1 1 109 109 PRO CB C 13 32.025 0.300 . 1 . . . . 109 PRO CB . 11308 1 1363 . 1 1 109 109 PRO CD C 13 50.767 0.300 . 1 . . . . 109 PRO CD . 11308 1 1364 . 1 1 109 109 PRO CG C 13 27.326 0.300 . 1 . . . . 109 PRO CG . 11308 1 1365 . 1 1 110 110 VAL H H 1 8.262 0.030 . 1 . . . . 110 VAL H . 11308 1 1366 . 1 1 110 110 VAL HA H 1 4.103 0.030 . 1 . . . . 110 VAL HA . 11308 1 1367 . 1 1 110 110 VAL HB H 1 2.067 0.030 . 1 . . . . 110 VAL HB . 11308 1 1368 . 1 1 110 110 VAL HG11 H 1 0.949 0.030 . 1 . . . . 110 VAL HG1 . 11308 1 1369 . 1 1 110 110 VAL HG12 H 1 0.949 0.030 . 1 . . . . 110 VAL HG1 . 11308 1 1370 . 1 1 110 110 VAL HG13 H 1 0.949 0.030 . 1 . . . . 110 VAL HG1 . 11308 1 1371 . 1 1 110 110 VAL HG21 H 1 0.933 0.030 . 1 . . . . 110 VAL HG2 . 11308 1 1372 . 1 1 110 110 VAL HG22 H 1 0.933 0.030 . 1 . . . . 110 VAL HG2 . 11308 1 1373 . 1 1 110 110 VAL HG23 H 1 0.933 0.030 . 1 . . . . 110 VAL HG2 . 11308 1 1374 . 1 1 110 110 VAL C C 13 176.345 0.300 . 1 . . . . 110 VAL C . 11308 1 1375 . 1 1 110 110 VAL CA C 13 62.297 0.300 . 1 . . . . 110 VAL CA . 11308 1 1376 . 1 1 110 110 VAL CB C 13 32.754 0.300 . 1 . . . . 110 VAL CB . 11308 1 1377 . 1 1 110 110 VAL CG1 C 13 20.526 0.300 . 2 . . . . 110 VAL CG1 . 11308 1 1378 . 1 1 110 110 VAL CG2 C 13 21.321 0.300 . 2 . . . . 110 VAL CG2 . 11308 1 1379 . 1 1 110 110 VAL N N 15 120.357 0.300 . 1 . . . . 110 VAL N . 11308 1 1380 . 1 1 111 111 SER H H 1 8.403 0.030 . 1 . . . . 111 SER H . 11308 1 1381 . 1 1 111 111 SER HA H 1 4.526 0.030 . 1 . . . . 111 SER HA . 11308 1 1382 . 1 1 111 111 SER HB2 H 1 3.824 0.030 . 1 . . . . 111 SER HB2 . 11308 1 1383 . 1 1 111 111 SER HB3 H 1 3.824 0.030 . 1 . . . . 111 SER HB3 . 11308 1 1384 . 1 1 111 111 SER C C 13 174.225 0.300 . 1 . . . . 111 SER C . 11308 1 1385 . 1 1 111 111 SER CA C 13 58.076 0.300 . 1 . . . . 111 SER CA . 11308 1 1386 . 1 1 111 111 SER CB C 13 64.009 0.300 . 1 . . . . 111 SER CB . 11308 1 1387 . 1 1 111 111 SER N N 15 119.732 0.300 . 1 . . . . 111 SER N . 11308 1 1388 . 1 1 112 112 THR H H 1 8.325 0.030 . 1 . . . . 112 THR H . 11308 1 1389 . 1 1 112 112 THR HA H 1 4.600 0.030 . 1 . . . . 112 THR HA . 11308 1 1390 . 1 1 112 112 THR HB H 1 4.124 0.030 . 1 . . . . 112 THR HB . 11308 1 1391 . 1 1 112 112 THR HG21 H 1 1.206 0.030 . 1 . . . . 112 THR HG2 . 11308 1 1392 . 1 1 112 112 THR HG22 H 1 1.206 0.030 . 1 . . . . 112 THR HG2 . 11308 1 1393 . 1 1 112 112 THR HG23 H 1 1.206 0.030 . 1 . . . . 112 THR HG2 . 11308 1 1394 . 1 1 112 112 THR C C 13 174.225 0.300 . 1 . . . . 112 THR C . 11308 1 1395 . 1 1 112 112 THR CA C 13 59.561 0.300 . 1 . . . . 112 THR CA . 11308 1 1396 . 1 1 112 112 THR CB C 13 69.856 0.300 . 1 . . . . 112 THR CB . 11308 1 1397 . 1 1 112 112 THR CG2 C 13 21.278 0.300 . 1 . . . . 112 THR CG2 . 11308 1 1398 . 1 1 112 112 THR N N 15 118.018 0.300 . 1 . . . . 112 THR N . 11308 1 1399 . 1 1 113 113 PRO HA H 1 4.357 0.030 . 1 . . . . 113 PRO HA . 11308 1 1400 . 1 1 113 113 PRO HB2 H 1 2.176 0.030 . 2 . . . . 113 PRO HB2 . 11308 1 1401 . 1 1 113 113 PRO HB3 H 1 1.719 0.030 . 2 . . . . 113 PRO HB3 . 11308 1 1402 . 1 1 113 113 PRO HD2 H 1 3.621 0.030 . 2 . . . . 113 PRO HD2 . 11308 1 1403 . 1 1 113 113 PRO HD3 H 1 3.777 0.030 . 2 . . . . 113 PRO HD3 . 11308 1 1404 . 1 1 113 113 PRO HG2 H 1 1.896 0.030 . 1 . . . . 113 PRO HG2 . 11308 1 1405 . 1 1 113 113 PRO HG3 H 1 1.896 0.030 . 1 . . . . 113 PRO HG3 . 11308 1 1406 . 1 1 113 113 PRO C C 13 176.650 0.300 . 1 . . . . 113 PRO C . 11308 1 1407 . 1 1 113 113 PRO CA C 13 63.291 0.300 . 1 . . . . 113 PRO CA . 11308 1 1408 . 1 1 113 113 PRO CB C 13 31.956 0.300 . 1 . . . . 113 PRO CB . 11308 1 1409 . 1 1 113 113 PRO CD C 13 51.027 0.300 . 1 . . . . 113 PRO CD . 11308 1 1410 . 1 1 113 113 PRO CG C 13 27.243 0.300 . 1 . . . . 113 PRO CG . 11308 1 1411 . 1 1 114 114 PHE H H 1 8.241 0.030 . 1 . . . . 114 PHE H . 11308 1 1412 . 1 1 114 114 PHE HA H 1 4.601 0.030 . 1 . . . . 114 PHE HA . 11308 1 1413 . 1 1 114 114 PHE HB2 H 1 3.049 0.030 . 2 . . . . 114 PHE HB2 . 11308 1 1414 . 1 1 114 114 PHE HB3 H 1 3.125 0.030 . 2 . . . . 114 PHE HB3 . 11308 1 1415 . 1 1 114 114 PHE HD1 H 1 7.245 0.030 . 1 . . . . 114 PHE HD1 . 11308 1 1416 . 1 1 114 114 PHE HD2 H 1 7.245 0.030 . 1 . . . . 114 PHE HD2 . 11308 1 1417 . 1 1 114 114 PHE HE1 H 1 7.331 0.030 . 1 . . . . 114 PHE HE1 . 11308 1 1418 . 1 1 114 114 PHE HE2 H 1 7.331 0.030 . 1 . . . . 114 PHE HE2 . 11308 1 1419 . 1 1 114 114 PHE HZ H 1 7.276 0.030 . 1 . . . . 114 PHE HZ . 11308 1 1420 . 1 1 114 114 PHE C C 13 175.826 0.300 . 1 . . . . 114 PHE C . 11308 1 1421 . 1 1 114 114 PHE CA C 13 57.819 0.300 . 1 . . . . 114 PHE CA . 11308 1 1422 . 1 1 114 114 PHE CB C 13 39.305 0.300 . 1 . . . . 114 PHE CB . 11308 1 1423 . 1 1 114 114 PHE CD1 C 13 131.726 0.300 . 1 . . . . 114 PHE CD1 . 11308 1 1424 . 1 1 114 114 PHE CD2 C 13 131.726 0.300 . 1 . . . . 114 PHE CD2 . 11308 1 1425 . 1 1 114 114 PHE CE1 C 13 131.706 0.300 . 1 . . . . 114 PHE CE1 . 11308 1 1426 . 1 1 114 114 PHE CE2 C 13 131.706 0.300 . 1 . . . . 114 PHE CE2 . 11308 1 1427 . 1 1 114 114 PHE CZ C 13 129.817 0.300 . 1 . . . . 114 PHE CZ . 11308 1 1428 . 1 1 114 114 PHE N N 15 120.109 0.300 . 1 . . . . 114 PHE N . 11308 1 1429 . 1 1 115 115 SER H H 1 8.115 0.030 . 1 . . . . 115 SER H . 11308 1 1430 . 1 1 115 115 SER C C 13 175.826 0.300 . 1 . . . . 115 SER C . 11308 1 1431 . 1 1 115 115 SER CA C 13 57.945 0.300 . 1 . . . . 115 SER CA . 11308 1 1432 . 1 1 115 115 SER CB C 13 63.977 0.300 . 1 . . . . 115 SER CB . 11308 1 1433 . 1 1 115 115 SER N N 15 117.471 0.300 . 1 . . . . 115 SER N . 11308 1 1434 . 1 1 116 116 SER C C 13 175.826 0.300 . 1 . . . . 116 SER C . 11308 1 1435 . 1 1 117 117 GLY H H 1 8.218 0.030 . 1 . . . . 117 GLY H . 11308 1 1436 . 1 1 117 117 GLY HA2 H 1 4.115 0.030 . 1 . . . . 117 GLY HA2 . 11308 1 1437 . 1 1 117 117 GLY HA3 H 1 4.115 0.030 . 1 . . . . 117 GLY HA3 . 11308 1 1438 . 1 1 117 117 GLY C C 13 175.826 0.300 . 1 . . . . 117 GLY C . 11308 1 1439 . 1 1 117 117 GLY CA C 13 44.636 0.300 . 1 . . . . 117 GLY CA . 11308 1 1440 . 1 1 117 117 GLY N N 15 110.591 0.300 . 1 . . . . 117 GLY N . 11308 1 1441 . 1 1 118 118 PRO HA H 1 4.452 0.030 . 1 . . . . 118 PRO HA . 11308 1 1442 . 1 1 118 118 PRO HB2 H 1 2.275 0.030 . 2 . . . . 118 PRO HB2 . 11308 1 1443 . 1 1 118 118 PRO HB3 H 1 1.786 0.030 . 2 . . . . 118 PRO HB3 . 11308 1 1444 . 1 1 118 118 PRO HD2 H 1 3.614 0.030 . 1 . . . . 118 PRO HD2 . 11308 1 1445 . 1 1 118 118 PRO HD3 H 1 3.614 0.030 . 1 . . . . 118 PRO HD3 . 11308 1 1446 . 1 1 118 118 PRO HG2 H 1 2.002 0.030 . 1 . . . . 118 PRO HG2 . 11308 1 1447 . 1 1 118 118 PRO HG3 H 1 2.002 0.030 . 1 . . . . 118 PRO HG3 . 11308 1 1448 . 1 1 118 118 PRO C C 13 177.401 0.300 . 1 . . . . 118 PRO C . 11308 1 1449 . 1 1 118 118 PRO CA C 13 63.230 0.300 . 1 . . . . 118 PRO CA . 11308 1 1450 . 1 1 118 118 PRO CB C 13 32.175 0.300 . 1 . . . . 118 PRO CB . 11308 1 1451 . 1 1 118 118 PRO CD C 13 49.801 0.300 . 1 . . . . 118 PRO CD . 11308 1 1452 . 1 1 118 118 PRO CG C 13 27.156 0.300 . 1 . . . . 118 PRO CG . 11308 1 1453 . 1 1 119 119 SER H H 1 8.524 0.030 . 1 . . . . 119 SER H . 11308 1 1454 . 1 1 119 119 SER C C 13 174.685 0.300 . 1 . . . . 119 SER C . 11308 1 1455 . 1 1 119 119 SER CA C 13 58.255 0.300 . 1 . . . . 119 SER CA . 11308 1 1456 . 1 1 119 119 SER CB C 13 63.674 0.300 . 1 . . . . 119 SER CB . 11308 1 1457 . 1 1 119 119 SER N N 15 116.472 0.300 . 1 . . . . 119 SER N . 11308 1 1458 . 1 1 120 120 SER H H 1 8.331 0.030 . 1 . . . . 120 SER H . 11308 1 1459 . 1 1 120 120 SER C C 13 174.685 0.300 . 1 . . . . 120 SER C . 11308 1 1460 . 1 1 120 120 SER CA C 13 58.407 0.300 . 1 . . . . 120 SER CA . 11308 1 1461 . 1 1 120 120 SER CB C 13 63.981 0.300 . 1 . . . . 120 SER CB . 11308 1 1462 . 1 1 120 120 SER N N 15 117.853 0.300 . 1 . . . . 120 SER N . 11308 1 1463 . 1 1 121 121 GLY C C 13 174.685 0.300 . 1 . . . . 121 GLY C . 11308 1 stop_ save_