data_4706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4706 _Entry.Title ; Structure and Binding Specificity of the Second N-Terminal Cellulose-Binding Domain from Cellulomonas fimi Endoglucanase C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-31 _Entry.Accession_date 2000-04-03 _Entry.Last_release_date 2000-05-26 _Entry.Original_release_date 2000-05-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 E. Brun . . . 4706 2 P. Johnson . E. . 4706 3 L. Creagh . A. . 4706 4 C. Haynes . A. . 4706 5 P. Tomme . . . 4706 6 P. Webster . . . 4706 7 L. McIntosh . P. . 4706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 4706 '15N chemical shifts' 155 4706 '1H chemical shifts' 970 4706 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 . . 2000-05-26 2000-03-31 original author . 4706 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1CX1 'BMRB Entry Tracking System' 4706 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4706 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20170870 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure and Binding Specificity of the Second N-Terminal Cellulose-Binding Domain from Cellulomonas fimi Endoglucanase C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 39 _Citation.Journal_issue 10 _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 2445 _Citation.Page_last 2458 _Citation.Year 2000 _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 E. Brun . . . 4706 1 2 P. Johnson . E. . 4706 1 3 A. Creagh . L. . 4706 1 4 C. Haynes . A. . 4706 1 5 P. Tomme . . . 4706 1 6 P. Webster . . . 4706 1 7 L. McIntosh . P. . 4706 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CELLOOLIGOSACHARIDES 4706 1 CELLULASE 4706 1 'CELLULOSE-BINDING DOMAIN' 4706 1 NMR 4706 1 'PROTEIN- CARBOHYDRATE INTERACTION' 4706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CBDN2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CBDN2 _Assembly.Entry_ID 4706 _Assembly.ID 1 _Assembly.Name 'CELLULOSE BINDING DOMAIN N2 FROM C. FIMI ENDOGLUCANASE C' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4706 1 stop_ 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 CBDN2 1 $CBDN2 . . . native . . . . . 4706 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 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 142 142 SG . . . . . . . . . . 4706 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CBDN2 abbreviation 4706 1 'CELLULOSE BINDING DOMAIN N2 FROM C. FIMI ENDOGLUCANASE C' system 4706 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Binding to amorphous cellulose and soluble cellulosic derivatives' 4706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBDN2 _Entity.Sf_category entity _Entity.Sf_framecode CBDN2 _Entity.Entry_ID 4706 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASLDSEVELLPHTSFAESLG PWSLYGTSEPVFADGRMCVD LPGGQGNPWDAGLVYNGVPV GEGESYVLSFTASATPDMPV RVLVGEGGGAYRTAFEQGSA PLTGEPATREYAFTSNLTFP PDGDAPGQVAFHLGKAGAYE FCISQVSLTTSAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15868 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; N-terminal Ala-Ser were introduced in the cloning vector. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1CX1 . "Second N-Terminal Cellulose-Binding Domain From Cellulomonas Fimi Beta-1,4-Glucanase C, Nmr, 22 Structures" . . . . . 100.00 153 100.00 100.00 1.87e-104 . . . . 4706 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CBDN2 abbreviation 4706 1 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' common 4706 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 . ALA . 4706 1 2 . SER . 4706 1 3 . LEU . 4706 1 4 . ASP . 4706 1 5 . SER . 4706 1 6 . GLU . 4706 1 7 . VAL . 4706 1 8 . GLU . 4706 1 9 . LEU . 4706 1 10 . LEU . 4706 1 11 . PRO . 4706 1 12 . HIS . 4706 1 13 . THR . 4706 1 14 . SER . 4706 1 15 . PHE . 4706 1 16 . ALA . 4706 1 17 . GLU . 4706 1 18 . SER . 4706 1 19 . LEU . 4706 1 20 . GLY . 4706 1 21 . PRO . 4706 1 22 . TRP . 4706 1 23 . SER . 4706 1 24 . LEU . 4706 1 25 . TYR . 4706 1 26 . GLY . 4706 1 27 . THR . 4706 1 28 . SER . 4706 1 29 . GLU . 4706 1 30 . PRO . 4706 1 31 . VAL . 4706 1 32 . PHE . 4706 1 33 . ALA . 4706 1 34 . ASP . 4706 1 35 . GLY . 4706 1 36 . ARG . 4706 1 37 . MET . 4706 1 38 . CYS . 4706 1 39 . VAL . 4706 1 40 . ASP . 4706 1 41 . LEU . 4706 1 42 . PRO . 4706 1 43 . GLY . 4706 1 44 . GLY . 4706 1 45 . GLN . 4706 1 46 . GLY . 4706 1 47 . ASN . 4706 1 48 . PRO . 4706 1 49 . TRP . 4706 1 50 . ASP . 4706 1 51 . ALA . 4706 1 52 . GLY . 4706 1 53 . LEU . 4706 1 54 . VAL . 4706 1 55 . TYR . 4706 1 56 . ASN . 4706 1 57 . GLY . 4706 1 58 . VAL . 4706 1 59 . PRO . 4706 1 60 . VAL . 4706 1 61 . GLY . 4706 1 62 . GLU . 4706 1 63 . GLY . 4706 1 64 . GLU . 4706 1 65 . SER . 4706 1 66 . TYR . 4706 1 67 . VAL . 4706 1 68 . LEU . 4706 1 69 . SER . 4706 1 70 . PHE . 4706 1 71 . THR . 4706 1 72 . ALA . 4706 1 73 . SER . 4706 1 74 . ALA . 4706 1 75 . THR . 4706 1 76 . PRO . 4706 1 77 . ASP . 4706 1 78 . MET . 4706 1 79 . PRO . 4706 1 80 . VAL . 4706 1 81 . ARG . 4706 1 82 . VAL . 4706 1 83 . LEU . 4706 1 84 . VAL . 4706 1 85 . GLY . 4706 1 86 . GLU . 4706 1 87 . GLY . 4706 1 88 . GLY . 4706 1 89 . GLY . 4706 1 90 . ALA . 4706 1 91 . TYR . 4706 1 92 . ARG . 4706 1 93 . THR . 4706 1 94 . ALA . 4706 1 95 . PHE . 4706 1 96 . GLU . 4706 1 97 . GLN . 4706 1 98 . GLY . 4706 1 99 . SER . 4706 1 100 . ALA . 4706 1 101 . PRO . 4706 1 102 . LEU . 4706 1 103 . THR . 4706 1 104 . GLY . 4706 1 105 . GLU . 4706 1 106 . PRO . 4706 1 107 . ALA . 4706 1 108 . THR . 4706 1 109 . ARG . 4706 1 110 . GLU . 4706 1 111 . TYR . 4706 1 112 . ALA . 4706 1 113 . PHE . 4706 1 114 . THR . 4706 1 115 . SER . 4706 1 116 . ASN . 4706 1 117 . LEU . 4706 1 118 . THR . 4706 1 119 . PHE . 4706 1 120 . PRO . 4706 1 121 . PRO . 4706 1 122 . ASP . 4706 1 123 . GLY . 4706 1 124 . ASP . 4706 1 125 . ALA . 4706 1 126 . PRO . 4706 1 127 . GLY . 4706 1 128 . GLN . 4706 1 129 . VAL . 4706 1 130 . ALA . 4706 1 131 . PHE . 4706 1 132 . HIS . 4706 1 133 . LEU . 4706 1 134 . GLY . 4706 1 135 . LYS . 4706 1 136 . ALA . 4706 1 137 . GLY . 4706 1 138 . ALA . 4706 1 139 . TYR . 4706 1 140 . GLU . 4706 1 141 . PHE . 4706 1 142 . CYS . 4706 1 143 . ILE . 4706 1 144 . SER . 4706 1 145 . GLN . 4706 1 146 . VAL . 4706 1 147 . SER . 4706 1 148 . LEU . 4706 1 149 . THR . 4706 1 150 . THR . 4706 1 151 . SER . 4706 1 152 . ALA . 4706 1 153 . THR . 4706 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 . ALA 1 1 4706 1 . SER 2 2 4706 1 . LEU 3 3 4706 1 . ASP 4 4 4706 1 . SER 5 5 4706 1 . GLU 6 6 4706 1 . VAL 7 7 4706 1 . GLU 8 8 4706 1 . LEU 9 9 4706 1 . LEU 10 10 4706 1 . PRO 11 11 4706 1 . HIS 12 12 4706 1 . THR 13 13 4706 1 . SER 14 14 4706 1 . PHE 15 15 4706 1 . ALA 16 16 4706 1 . GLU 17 17 4706 1 . SER 18 18 4706 1 . LEU 19 19 4706 1 . GLY 20 20 4706 1 . PRO 21 21 4706 1 . TRP 22 22 4706 1 . SER 23 23 4706 1 . LEU 24 24 4706 1 . TYR 25 25 4706 1 . GLY 26 26 4706 1 . THR 27 27 4706 1 . SER 28 28 4706 1 . GLU 29 29 4706 1 . PRO 30 30 4706 1 . VAL 31 31 4706 1 . PHE 32 32 4706 1 . ALA 33 33 4706 1 . ASP 34 34 4706 1 . GLY 35 35 4706 1 . ARG 36 36 4706 1 . MET 37 37 4706 1 . CYS 38 38 4706 1 . VAL 39 39 4706 1 . ASP 40 40 4706 1 . LEU 41 41 4706 1 . PRO 42 42 4706 1 . GLY 43 43 4706 1 . GLY 44 44 4706 1 . GLN 45 45 4706 1 . GLY 46 46 4706 1 . ASN 47 47 4706 1 . PRO 48 48 4706 1 . TRP 49 49 4706 1 . ASP 50 50 4706 1 . ALA 51 51 4706 1 . GLY 52 52 4706 1 . LEU 53 53 4706 1 . VAL 54 54 4706 1 . TYR 55 55 4706 1 . ASN 56 56 4706 1 . GLY 57 57 4706 1 . VAL 58 58 4706 1 . PRO 59 59 4706 1 . VAL 60 60 4706 1 . GLY 61 61 4706 1 . GLU 62 62 4706 1 . GLY 63 63 4706 1 . GLU 64 64 4706 1 . SER 65 65 4706 1 . TYR 66 66 4706 1 . VAL 67 67 4706 1 . LEU 68 68 4706 1 . SER 69 69 4706 1 . PHE 70 70 4706 1 . THR 71 71 4706 1 . ALA 72 72 4706 1 . SER 73 73 4706 1 . ALA 74 74 4706 1 . THR 75 75 4706 1 . PRO 76 76 4706 1 . ASP 77 77 4706 1 . MET 78 78 4706 1 . PRO 79 79 4706 1 . VAL 80 80 4706 1 . ARG 81 81 4706 1 . VAL 82 82 4706 1 . LEU 83 83 4706 1 . VAL 84 84 4706 1 . GLY 85 85 4706 1 . GLU 86 86 4706 1 . GLY 87 87 4706 1 . GLY 88 88 4706 1 . GLY 89 89 4706 1 . ALA 90 90 4706 1 . TYR 91 91 4706 1 . ARG 92 92 4706 1 . THR 93 93 4706 1 . ALA 94 94 4706 1 . PHE 95 95 4706 1 . GLU 96 96 4706 1 . GLN 97 97 4706 1 . GLY 98 98 4706 1 . SER 99 99 4706 1 . ALA 100 100 4706 1 . PRO 101 101 4706 1 . LEU 102 102 4706 1 . THR 103 103 4706 1 . GLY 104 104 4706 1 . GLU 105 105 4706 1 . PRO 106 106 4706 1 . ALA 107 107 4706 1 . THR 108 108 4706 1 . ARG 109 109 4706 1 . GLU 110 110 4706 1 . TYR 111 111 4706 1 . ALA 112 112 4706 1 . PHE 113 113 4706 1 . THR 114 114 4706 1 . SER 115 115 4706 1 . ASN 116 116 4706 1 . LEU 117 117 4706 1 . THR 118 118 4706 1 . PHE 119 119 4706 1 . PRO 120 120 4706 1 . PRO 121 121 4706 1 . ASP 122 122 4706 1 . GLY 123 123 4706 1 . ASP 124 124 4706 1 . ALA 125 125 4706 1 . PRO 126 126 4706 1 . GLY 127 127 4706 1 . GLN 128 128 4706 1 . VAL 129 129 4706 1 . ALA 130 130 4706 1 . PHE 131 131 4706 1 . HIS 132 132 4706 1 . LEU 133 133 4706 1 . GLY 134 134 4706 1 . LYS 135 135 4706 1 . ALA 136 136 4706 1 . GLY 137 137 4706 1 . ALA 138 138 4706 1 . TYR 139 139 4706 1 . GLU 140 140 4706 1 . PHE 141 141 4706 1 . CYS 142 142 4706 1 . ILE 143 143 4706 1 . SER 144 144 4706 1 . GLN 145 145 4706 1 . VAL 146 146 4706 1 . SER 147 147 4706 1 . LEU 148 148 4706 1 . THR 149 149 4706 1 . THR 150 150 4706 1 . SER 151 151 4706 1 . ALA 152 152 4706 1 . THR 153 153 4706 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4706 _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 $CBDN2 . 1708 organism . 'Cellulomonas fimi' Bacteria . . Eubacteria . Cellulomonas fimi . . . . . . . . . . . . . . . . . . 'Second N-terminal cellulose binding domain of the cellulase CenC from Cellulomonas fimi' . . 4706 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 4706 _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 $CBDN2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli K12 JM101 . . . . . . . . . . . . . . . . . . 'Expressed in E. coli using the plasmid pTug"' . . 4706 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4706 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' '[U-99% 15N; U-99% 13C]' . . 1 $CBDN2 . . . 1.5 2 mM . . . . 4706 1 2 Cellopentaose . . . . . . . 44 . . mM . . . . 4706 1 3 NaCl . . . . . . . 50 . . mM . . . . 4706 1 4 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 4706 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4706 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' '[U-99% 15N]' . . 1 $CBDN2 . . . 1.5 2 mM . . . . 4706 2 2 Cellopentaose . . . . . . . 44 . . mM . . . . 4706 2 3 NaCl . . . . . . . 50 . . mM . . . . 4706 2 4 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 4706 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4706 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' . . . 1 $CBDN2 . . . 1.5 2 mM . . . . 4706 3 2 Cellopentaose . . . . . . . 44 . . mM . . . . 4706 3 3 NaCl . . . . . . . 50 . . mM . . . . 4706 3 4 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 4706 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4706 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ENDOGLUCANASE C CELLULOE BINDING DOMAIN N2' 'non-random 10% 13C' . . 1 $CBDN2 . . . 1.5 2 mM . . . . 4706 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4706 _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' 50 . mM 4706 1 pH 6 0.2 n/a 4706 1 pressure 1 . atm 4706 1 temperature 308 1 K 4706 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4706 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1A _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID COLLECTION 4706 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4706 _Software.ID 2 _Software.Name FELIX _Software.Version 230 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PROCESSING, DATA ANALYSIS' 4706 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4706 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'STRUCTURE CALCULATION, REFINEMENT' 4706 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4706 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4706 _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 NMR_spectrometer VARIAN UNITY . 500 . . . 4706 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 4706 _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' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4706 1 2 '3D 15N-SEPARATED_NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4706 1 3 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4706 1 4 '4D 13C/15N-SEPARATED_NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4706 1 5 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4706 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4706 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-SEPARATED_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4706 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-SEPARATED_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4706 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4706 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '4D 13C/15N-SEPARATED_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4706 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4706 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 carbons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4706 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4706 1 N 15 'ammonium chloride' nitrogen . . . . ppm 24.93 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4706 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4706 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4706 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 1 1 ALA HA H 1 4.079 0.020 . 1 . . . . . . . . 4706 1 2 . 1 1 1 1 ALA HB1 H 1 1.485 0.020 . 1 . . . . . . . . 4706 1 3 . 1 1 1 1 ALA HB2 H 1 1.485 0.020 . 1 . . . . . . . . 4706 1 4 . 1 1 1 1 ALA HB3 H 1 1.485 0.020 . 1 . . . . . . . . 4706 1 5 . 1 1 1 1 ALA CA C 13 51.846 0.300 . 1 . . . . . . . . 4706 1 6 . 1 1 1 1 ALA CB C 13 19.608 0.300 . 1 . . . . . . . . 4706 1 7 . 1 1 2 2 SER HA H 1 4.454 0.020 . 1 . . . . . . . . 4706 1 8 . 1 1 2 2 SER HB2 H 1 3.834 0.020 . 1 . . . . . . . . 4706 1 9 . 1 1 2 2 SER HB3 H 1 3.834 0.020 . 1 . . . . . . . . 4706 1 10 . 1 1 2 2 SER CA C 13 58.040 0.300 . 1 . . . . . . . . 4706 1 11 . 1 1 2 2 SER CB C 13 63.641 0.300 . 1 . . . . . . . . 4706 1 12 . 1 1 3 3 LEU H H 1 8.330 0.020 . 1 . . . . . . . . 4706 1 13 . 1 1 3 3 LEU HA H 1 4.335 0.020 . 1 . . . . . . . . 4706 1 14 . 1 1 3 3 LEU HB2 H 1 1.582 0.020 . 1 . . . . . . . . 4706 1 15 . 1 1 3 3 LEU HB3 H 1 1.582 0.020 . 1 . . . . . . . . 4706 1 16 . 1 1 3 3 LEU HG H 1 1.582 0.020 . 1 . . . . . . . . 4706 1 17 . 1 1 3 3 LEU HD11 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 18 . 1 1 3 3 LEU HD12 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 19 . 1 1 3 3 LEU HD13 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 20 . 1 1 3 3 LEU HD21 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 21 . 1 1 3 3 LEU HD22 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 22 . 1 1 3 3 LEU HD23 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 23 . 1 1 3 3 LEU CA C 13 55.226 0.300 . 1 . . . . . . . . 4706 1 24 . 1 1 3 3 LEU CB C 13 42.478 0.300 . 1 . . . . . . . . 4706 1 25 . 1 1 3 3 LEU CG C 13 27.608 0.300 . 1 . . . . . . . . 4706 1 26 . 1 1 3 3 LEU CD2 C 13 23.719 0.300 . 2 . . . . . . . . 4706 1 27 . 1 1 3 3 LEU CD1 C 13 24.750 0.300 . 2 . . . . . . . . 4706 1 28 . 1 1 3 3 LEU N N 15 125.498 0.200 . 1 . . . . . . . . 4706 1 29 . 1 1 4 4 ASP H H 1 8.241 0.020 . 1 . . . . . . . . 4706 1 30 . 1 1 4 4 ASP HA H 1 4.523 0.020 . 1 . . . . . . . . 4706 1 31 . 1 1 4 4 ASP HB2 H 1 2.644 0.020 . 2 . . . . . . . . 4706 1 32 . 1 1 4 4 ASP HB3 H 1 2.584 0.020 . 2 . . . . . . . . 4706 1 33 . 1 1 4 4 ASP CA C 13 54.893 0.300 . 1 . . . . . . . . 4706 1 34 . 1 1 4 4 ASP CB C 13 41.007 0.300 . 1 . . . . . . . . 4706 1 35 . 1 1 4 4 ASP N N 15 121.756 0.200 . 1 . . . . . . . . 4706 1 36 . 1 1 5 5 SER H H 1 7.969 0.020 . 1 . . . . . . . . 4706 1 37 . 1 1 5 5 SER HA H 1 4.368 0.020 . 1 . . . . . . . . 4706 1 38 . 1 1 5 5 SER HB2 H 1 3.860 0.020 . 2 . . . . . . . . 4706 1 39 . 1 1 5 5 SER HB3 H 1 3.782 0.020 . 2 . . . . . . . . 4706 1 40 . 1 1 5 5 SER CA C 13 58.116 0.300 . 1 . . . . . . . . 4706 1 41 . 1 1 5 5 SER CB C 13 63.621 0.300 . 1 . . . . . . . . 4706 1 42 . 1 1 5 5 SER N N 15 115.834 0.200 . 1 . . . . . . . . 4706 1 43 . 1 1 6 6 GLU H H 1 8.012 0.020 . 1 . . . . . . . . 4706 1 44 . 1 1 6 6 GLU HA H 1 4.536 0.020 . 1 . . . . . . . . 4706 1 45 . 1 1 6 6 GLU HB2 H 1 1.916 0.020 . 1 . . . . . . . . 4706 1 46 . 1 1 6 6 GLU HB3 H 1 1.916 0.020 . 1 . . . . . . . . 4706 1 47 . 1 1 6 6 GLU HG2 H 1 2.152 0.020 . 1 . . . . . . . . 4706 1 48 . 1 1 6 6 GLU HG3 H 1 2.152 0.020 . 1 . . . . . . . . 4706 1 49 . 1 1 6 6 GLU CA C 13 56.059 0.300 . 1 . . . . . . . . 4706 1 50 . 1 1 6 6 GLU CB C 13 31.121 0.300 . 1 . . . . . . . . 4706 1 51 . 1 1 6 6 GLU CG C 13 35.984 0.300 . 1 . . . . . . . . 4706 1 52 . 1 1 6 6 GLU N N 15 123.387 0.200 . 1 . . . . . . . . 4706 1 53 . 1 1 7 7 VAL H H 1 8.538 0.020 . 1 . . . . . . . . 4706 1 54 . 1 1 7 7 VAL HA H 1 4.213 0.020 . 1 . . . . . . . . 4706 1 55 . 1 1 7 7 VAL HB H 1 1.954 0.020 . 1 . . . . . . . . 4706 1 56 . 1 1 7 7 VAL HG11 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 57 . 1 1 7 7 VAL HG12 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 58 . 1 1 7 7 VAL HG13 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 59 . 1 1 7 7 VAL HG21 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 60 . 1 1 7 7 VAL HG22 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 61 . 1 1 7 7 VAL HG23 H 1 0.837 0.020 . 1 . . . . . . . . 4706 1 62 . 1 1 7 7 VAL CA C 13 61.127 0.300 . 1 . . . . . . . . 4706 1 63 . 1 1 7 7 VAL CB C 13 34.150 0.300 . 1 . . . . . . . . 4706 1 64 . 1 1 7 7 VAL CG2 C 13 20.888 0.300 . 1 . . . . . . . . 4706 1 65 . 1 1 7 7 VAL CG1 C 13 20.888 0.300 . 1 . . . . . . . . 4706 1 66 . 1 1 7 7 VAL N N 15 123.212 0.200 . 1 . . . . . . . . 4706 1 67 . 1 1 8 8 GLU H H 1 8.212 0.020 . 1 . . . . . . . . 4706 1 68 . 1 1 8 8 GLU HA H 1 4.394 0.020 . 1 . . . . . . . . 4706 1 69 . 1 1 8 8 GLU HB2 H 1 1.956 0.020 . 2 . . . . . . . . 4706 1 70 . 1 1 8 8 GLU HB3 H 1 2.058 0.020 . 2 . . . . . . . . 4706 1 71 . 1 1 8 8 GLU HG2 H 1 2.337 0.020 . 1 . . . . . . . . 4706 1 72 . 1 1 8 8 GLU HG3 H 1 2.337 0.020 . 1 . . . . . . . . 4706 1 73 . 1 1 8 8 GLU CA C 13 55.441 0.300 . 1 . . . . . . . . 4706 1 74 . 1 1 8 8 GLU CB C 13 31.334 0.300 . 1 . . . . . . . . 4706 1 75 . 1 1 8 8 GLU CG C 13 36.818 0.300 . 1 . . . . . . . . 4706 1 76 . 1 1 8 8 GLU N N 15 127.476 0.200 . 1 . . . . . . . . 4706 1 77 . 1 1 9 9 LEU H H 1 9.460 0.020 . 1 . . . . . . . . 4706 1 78 . 1 1 9 9 LEU HA H 1 4.420 0.020 . 1 . . . . . . . . 4706 1 79 . 1 1 9 9 LEU HB2 H 1 1.878 0.020 . 1 . . . . . . . . 4706 1 80 . 1 1 9 9 LEU HB3 H 1 1.557 0.020 . 1 . . . . . . . . 4706 1 81 . 1 1 9 9 LEU HG H 1 1.855 0.020 . 1 . . . . . . . . 4706 1 82 . 1 1 9 9 LEU HD11 H 1 1.061 0.020 . 1 . . . . . . . . 4706 1 83 . 1 1 9 9 LEU HD12 H 1 1.061 0.020 . 1 . . . . . . . . 4706 1 84 . 1 1 9 9 LEU HD13 H 1 1.061 0.020 . 1 . . . . . . . . 4706 1 85 . 1 1 9 9 LEU HD21 H 1 0.919 0.020 . 1 . . . . . . . . 4706 1 86 . 1 1 9 9 LEU HD22 H 1 0.919 0.020 . 1 . . . . . . . . 4706 1 87 . 1 1 9 9 LEU HD23 H 1 0.919 0.020 . 1 . . . . . . . . 4706 1 88 . 1 1 9 9 LEU CA C 13 55.508 0.300 . 1 . . . . . . . . 4706 1 89 . 1 1 9 9 LEU CB C 13 43.511 0.300 . 1 . . . . . . . . 4706 1 90 . 1 1 9 9 LEU CG C 13 28.016 0.300 . 1 . . . . . . . . 4706 1 91 . 1 1 9 9 LEU CD2 C 13 23.328 0.300 . 1 . . . . . . . . 4706 1 92 . 1 1 9 9 LEU CD1 C 13 26.168 0.300 . 1 . . . . . . . . 4706 1 93 . 1 1 9 9 LEU N N 15 129.872 0.200 . 1 . . . . . . . . 4706 1 94 . 1 1 10 10 LEU H H 1 9.637 0.020 . 1 . . . . . . . . 4706 1 95 . 1 1 10 10 LEU HA H 1 4.500 0.020 . 1 . . . . . . . . 4706 1 96 . 1 1 10 10 LEU HB2 H 1 0.895 0.020 . 1 . . . . . . . . 4706 1 97 . 1 1 10 10 LEU HB3 H 1 2.227 0.020 . 1 . . . . . . . . 4706 1 98 . 1 1 10 10 LEU HG H 1 1.984 0.020 . 1 . . . . . . . . 4706 1 99 . 1 1 10 10 LEU HD11 H 1 1.201 0.020 . 1 . . . . . . . . 4706 1 100 . 1 1 10 10 LEU HD12 H 1 1.201 0.020 . 1 . . . . . . . . 4706 1 101 . 1 1 10 10 LEU HD13 H 1 1.201 0.020 . 1 . . . . . . . . 4706 1 102 . 1 1 10 10 LEU HD21 H 1 0.611 0.020 . 1 . . . . . . . . 4706 1 103 . 1 1 10 10 LEU HD22 H 1 0.611 0.020 . 1 . . . . . . . . 4706 1 104 . 1 1 10 10 LEU HD23 H 1 0.611 0.020 . 1 . . . . . . . . 4706 1 105 . 1 1 10 10 LEU CA C 13 51.915 0.300 . 1 . . . . . . . . 4706 1 106 . 1 1 10 10 LEU CB C 13 41.024 0.300 . 1 . . . . . . . . 4706 1 107 . 1 1 10 10 LEU CG C 13 27.346 0.300 . 1 . . . . . . . . 4706 1 108 . 1 1 10 10 LEU CD2 C 13 23.219 0.300 . 1 . . . . . . . . 4706 1 109 . 1 1 10 10 LEU CD1 C 13 27.346 0.300 . 1 . . . . . . . . 4706 1 110 . 1 1 10 10 LEU N N 15 122.948 0.200 . 1 . . . . . . . . 4706 1 111 . 1 1 11 11 PRO HA H 1 4.501 0.020 . 1 . . . . . . . . 4706 1 112 . 1 1 11 11 PRO HB2 H 1 2.264 0.020 . 2 . . . . . . . . 4706 1 113 . 1 1 11 11 PRO HB3 H 1 2.071 0.020 . 2 . . . . . . . . 4706 1 114 . 1 1 11 11 PRO HG2 H 1 2.268 0.020 . 2 . . . . . . . . 4706 1 115 . 1 1 11 11 PRO HG3 H 1 1.627 0.020 . 2 . . . . . . . . 4706 1 116 . 1 1 11 11 PRO HD2 H 1 3.685 0.020 . 2 . . . . . . . . 4706 1 117 . 1 1 11 11 PRO HD3 H 1 2.822 0.020 . 2 . . . . . . . . 4706 1 118 . 1 1 11 11 PRO CA C 13 63.178 0.300 . 1 . . . . . . . . 4706 1 119 . 1 1 11 11 PRO CB C 13 31.761 0.300 . 1 . . . . . . . . 4706 1 120 . 1 1 11 11 PRO CG C 13 27.642 0.300 . 1 . . . . . . . . 4706 1 121 . 1 1 11 11 PRO CD C 13 50.485 0.300 . 1 . . . . . . . . 4706 1 122 . 1 1 12 12 HIS H H 1 6.527 0.020 . 1 . . . . . . . . 4706 1 123 . 1 1 12 12 HIS HA H 1 4.836 0.020 . 1 . . . . . . . . 4706 1 124 . 1 1 12 12 HIS HB2 H 1 2.820 0.020 . 1 . . . . . . . . 4706 1 125 . 1 1 12 12 HIS HB3 H 1 3.087 0.020 . 1 . . . . . . . . 4706 1 126 . 1 1 12 12 HIS HD2 H 1 6.146 0.020 . 1 . . . . . . . . 4706 1 127 . 1 1 12 12 HIS HE1 H 1 7.644 0.020 . 1 . . . . . . . . 4706 1 128 . 1 1 12 12 HIS CA C 13 56.051 0.300 . 1 . . . . . . . . 4706 1 129 . 1 1 12 12 HIS CB C 13 34.437 0.300 . 1 . . . . . . . . 4706 1 130 . 1 1 12 12 HIS CD2 C 13 117.286 0.300 . 1 . . . . . . . . 4706 1 131 . 1 1 12 12 HIS CE1 C 13 137.296 0.300 . 1 . . . . . . . . 4706 1 132 . 1 1 12 12 HIS N N 15 121.307 0.200 . 1 . . . . . . . . 4706 1 133 . 1 1 12 12 HIS ND1 N 15 242.761 0.200 . 1 . . . . . . . . 4706 1 134 . 1 1 12 12 HIS NE2 N 15 171.164 0.200 . 1 . . . . . . . . 4706 1 135 . 1 1 13 13 THR H H 1 8.076 0.020 . 1 . . . . . . . . 4706 1 136 . 1 1 13 13 THR HA H 1 4.648 0.020 . 1 . . . . . . . . 4706 1 137 . 1 1 13 13 THR HB H 1 4.799 0.020 . 1 . . . . . . . . 4706 1 138 . 1 1 13 13 THR HG21 H 1 1.192 0.020 . 1 . . . . . . . . 4706 1 139 . 1 1 13 13 THR HG22 H 1 1.192 0.020 . 1 . . . . . . . . 4706 1 140 . 1 1 13 13 THR HG23 H 1 1.192 0.020 . 1 . . . . . . . . 4706 1 141 . 1 1 13 13 THR CA C 13 60.952 0.300 . 1 . . . . . . . . 4706 1 142 . 1 1 13 13 THR CB C 13 70.997 0.300 . 1 . . . . . . . . 4706 1 143 . 1 1 13 13 THR CG2 C 13 22.304 0.300 . 1 . . . . . . . . 4706 1 144 . 1 1 13 13 THR N N 15 117.450 0.200 . 1 . . . . . . . . 4706 1 145 . 1 1 14 14 SER H H 1 6.852 0.020 . 1 . . . . . . . . 4706 1 146 . 1 1 14 14 SER HA H 1 5.028 0.020 . 1 . . . . . . . . 4706 1 147 . 1 1 14 14 SER HB2 H 1 3.709 0.020 . 2 . . . . . . . . 4706 1 148 . 1 1 14 14 SER HB3 H 1 3.427 0.020 . 2 . . . . . . . . 4706 1 149 . 1 1 14 14 SER CA C 13 55.024 0.300 . 1 . . . . . . . . 4706 1 150 . 1 1 14 14 SER CB C 13 64.465 0.300 . 1 . . . . . . . . 4706 1 151 . 1 1 14 14 SER N N 15 114.469 0.200 . 1 . . . . . . . . 4706 1 152 . 1 1 15 15 PHE H H 1 7.872 0.020 . 1 . . . . . . . . 4706 1 153 . 1 1 15 15 PHE HA H 1 5.035 0.020 . 1 . . . . . . . . 4706 1 154 . 1 1 15 15 PHE HB2 H 1 2.444 0.020 . 1 . . . . . . . . 4706 1 155 . 1 1 15 15 PHE HB3 H 1 3.774 0.020 . 1 . . . . . . . . 4706 1 156 . 1 1 15 15 PHE HD1 H 1 6.913 0.020 . 1 . . . . . . . . 4706 1 157 . 1 1 15 15 PHE HD2 H 1 6.913 0.020 . 1 . . . . . . . . 4706 1 158 . 1 1 15 15 PHE HE1 H 1 6.542 0.020 . 1 . . . . . . . . 4706 1 159 . 1 1 15 15 PHE HE2 H 1 6.542 0.020 . 1 . . . . . . . . 4706 1 160 . 1 1 15 15 PHE CA C 13 57.024 0.300 . 1 . . . . . . . . 4706 1 161 . 1 1 15 15 PHE CB C 13 39.314 0.300 . 1 . . . . . . . . 4706 1 162 . 1 1 15 15 PHE CD2 C 13 129.631 0.300 . 1 . . . . . . . . 4706 1 163 . 1 1 15 15 PHE CD1 C 13 129.631 0.300 . 1 . . . . . . . . 4706 1 164 . 1 1 15 15 PHE CE2 C 13 129.631 0.300 . 1 . . . . . . . . 4706 1 165 . 1 1 15 15 PHE CE1 C 13 129.631 0.300 . 1 . . . . . . . . 4706 1 166 . 1 1 15 15 PHE N N 15 127.829 0.200 . 1 . . . . . . . . 4706 1 167 . 1 1 16 16 ALA H H 1 7.288 0.020 . 1 . . . . . . . . 4706 1 168 . 1 1 16 16 ALA HA H 1 3.658 0.020 . 1 . . . . . . . . 4706 1 169 . 1 1 16 16 ALA HB1 H 1 1.305 0.020 . 1 . . . . . . . . 4706 1 170 . 1 1 16 16 ALA HB2 H 1 1.305 0.020 . 1 . . . . . . . . 4706 1 171 . 1 1 16 16 ALA HB3 H 1 1.305 0.020 . 1 . . . . . . . . 4706 1 172 . 1 1 16 16 ALA CA C 13 54.658 0.300 . 1 . . . . . . . . 4706 1 173 . 1 1 16 16 ALA CB C 13 19.691 0.300 . 1 . . . . . . . . 4706 1 174 . 1 1 16 16 ALA N N 15 117.824 0.200 . 1 . . . . . . . . 4706 1 175 . 1 1 17 17 GLU H H 1 8.595 0.020 . 1 . . . . . . . . 4706 1 176 . 1 1 17 17 GLU HA H 1 4.220 0.020 . 1 . . . . . . . . 4706 1 177 . 1 1 17 17 GLU HB2 H 1 1.646 0.020 . 1 . . . . . . . . 4706 1 178 . 1 1 17 17 GLU HB3 H 1 1.807 0.020 . 1 . . . . . . . . 4706 1 179 . 1 1 17 17 GLU HG2 H 1 1.997 0.020 . 1 . . . . . . . . 4706 1 180 . 1 1 17 17 GLU HG3 H 1 1.997 0.020 . 1 . . . . . . . . 4706 1 181 . 1 1 17 17 GLU CA C 13 55.848 0.300 . 1 . . . . . . . . 4706 1 182 . 1 1 17 17 GLU CB C 13 33.443 0.300 . 1 . . . . . . . . 4706 1 183 . 1 1 17 17 GLU CG C 13 36.227 0.300 . 1 . . . . . . . . 4706 1 184 . 1 1 17 17 GLU N N 15 112.460 0.200 . 1 . . . . . . . . 4706 1 185 . 1 1 18 18 SER H H 1 8.307 0.020 . 1 . . . . . . . . 4706 1 186 . 1 1 18 18 SER HA H 1 3.844 0.020 . 1 . . . . . . . . 4706 1 187 . 1 1 18 18 SER HB2 H 1 3.526 0.020 . 2 . . . . . . . . 4706 1 188 . 1 1 18 18 SER HB3 H 1 3.848 0.020 . 2 . . . . . . . . 4706 1 189 . 1 1 18 18 SER CA C 13 56.874 0.300 . 1 . . . . . . . . 4706 1 190 . 1 1 18 18 SER CB C 13 65.328 0.300 . 1 . . . . . . . . 4706 1 191 . 1 1 18 18 SER N N 15 114.644 0.200 . 1 . . . . . . . . 4706 1 192 . 1 1 19 19 LEU H H 1 8.602 0.020 . 1 . . . . . . . . 4706 1 193 . 1 1 19 19 LEU HA H 1 4.500 0.020 . 1 . . . . . . . . 4706 1 194 . 1 1 19 19 LEU HB2 H 1 1.823 0.020 . 2 . . . . . . . . 4706 1 195 . 1 1 19 19 LEU HB3 H 1 1.963 0.020 . 2 . . . . . . . . 4706 1 196 . 1 1 19 19 LEU HG H 1 1.963 0.020 . 1 . . . . . . . . 4706 1 197 . 1 1 19 19 LEU HD11 H 1 1.090 0.020 . 1 . . . . . . . . 4706 1 198 . 1 1 19 19 LEU HD12 H 1 1.090 0.020 . 1 . . . . . . . . 4706 1 199 . 1 1 19 19 LEU HD13 H 1 1.090 0.020 . 1 . . . . . . . . 4706 1 200 . 1 1 19 19 LEU HD21 H 1 0.971 0.020 . 1 . . . . . . . . 4706 1 201 . 1 1 19 19 LEU HD22 H 1 0.971 0.020 . 1 . . . . . . . . 4706 1 202 . 1 1 19 19 LEU HD23 H 1 0.971 0.020 . 1 . . . . . . . . 4706 1 203 . 1 1 19 19 LEU CA C 13 56.106 0.300 . 1 . . . . . . . . 4706 1 204 . 1 1 19 19 LEU CB C 13 44.398 0.300 . 1 . . . . . . . . 4706 1 205 . 1 1 19 19 LEU CG C 13 26.743 0.300 . 1 . . . . . . . . 4706 1 206 . 1 1 19 19 LEU CD2 C 13 26.743 0.300 . 1 . . . . . . . . 4706 1 207 . 1 1 19 19 LEU CD1 C 13 26.111 0.300 . 1 . . . . . . . . 4706 1 208 . 1 1 19 19 LEU N N 15 124.321 0.200 . 1 . . . . . . . . 4706 1 209 . 1 1 20 20 GLY H H 1 8.036 0.020 . 1 . . . . . . . . 4706 1 210 . 1 1 20 20 GLY HA3 H 1 3.434 0.020 . 2 . . . . . . . . 4706 1 211 . 1 1 20 20 GLY HA2 H 1 3.151 0.020 . 2 . . . . . . . . 4706 1 212 . 1 1 20 20 GLY CA C 13 44.137 0.300 . 1 . . . . . . . . 4706 1 213 . 1 1 20 20 GLY N N 15 107.868 0.200 . 1 . . . . . . . . 4706 1 214 . 1 1 21 21 PRO HA H 1 4.784 0.020 . 1 . . . . . . . . 4706 1 215 . 1 1 21 21 PRO HB2 H 1 2.319 0.020 . 2 . . . . . . . . 4706 1 216 . 1 1 21 21 PRO HB3 H 1 2.419 0.020 . 2 . . . . . . . . 4706 1 217 . 1 1 21 21 PRO HG2 H 1 1.763 0.020 . 1 . . . . . . . . 4706 1 218 . 1 1 21 21 PRO HG3 H 1 1.763 0.020 . 1 . . . . . . . . 4706 1 219 . 1 1 21 21 PRO HD2 H 1 3.657 0.020 . 1 . . . . . . . . 4706 1 220 . 1 1 21 21 PRO HD3 H 1 3.657 0.020 . 1 . . . . . . . . 4706 1 221 . 1 1 21 21 PRO CA C 13 63.028 0.300 . 1 . . . . . . . . 4706 1 222 . 1 1 21 21 PRO CB C 13 32.491 0.300 . 1 . . . . . . . . 4706 1 223 . 1 1 21 21 PRO CG C 13 26.364 0.300 . 1 . . . . . . . . 4706 1 224 . 1 1 21 21 PRO CD C 13 50.598 0.300 . 1 . . . . . . . . 4706 1 225 . 1 1 22 22 TRP H H 1 8.021 0.020 . 1 . . . . . . . . 4706 1 226 . 1 1 22 22 TRP HA H 1 4.569 0.020 . 1 . . . . . . . . 4706 1 227 . 1 1 22 22 TRP HB2 H 1 3.674 0.020 . 2 . . . . . . . . 4706 1 228 . 1 1 22 22 TRP HB3 H 1 3.399 0.020 . 2 . . . . . . . . 4706 1 229 . 1 1 22 22 TRP HD1 H 1 7.467 0.020 . 1 . . . . . . . . 4706 1 230 . 1 1 22 22 TRP HE1 H 1 10.295 0.020 . 1 . . . . . . . . 4706 1 231 . 1 1 22 22 TRP HE3 H 1 7.695 0.020 . 1 . . . . . . . . 4706 1 232 . 1 1 22 22 TRP HH2 H 1 7.181 0.020 . 1 . . . . . . . . 4706 1 233 . 1 1 22 22 TRP HZ2 H 1 7.540 0.020 . 1 . . . . . . . . 4706 1 234 . 1 1 22 22 TRP HZ3 H 1 7.289 0.020 . 1 . . . . . . . . 4706 1 235 . 1 1 22 22 TRP CA C 13 59.655 0.300 . 1 . . . . . . . . 4706 1 236 . 1 1 22 22 TRP CB C 13 29.425 0.300 . 1 . . . . . . . . 4706 1 237 . 1 1 22 22 TRP CD1 C 13 126.276 0.300 . 1 . . . . . . . . 4706 1 238 . 1 1 22 22 TRP CE3 C 13 121.227 0.300 . 1 . . . . . . . . 4706 1 239 . 1 1 22 22 TRP CZ2 C 13 114.411 0.300 . 1 . . . . . . . . 4706 1 240 . 1 1 22 22 TRP CH2 C 13 122.524 0.300 . 1 . . . . . . . . 4706 1 241 . 1 1 22 22 TRP N N 15 125.951 0.200 . 1 . . . . . . . . 4706 1 242 . 1 1 22 22 TRP NE1 N 15 128.562 0.200 . 1 . . . . . . . . 4706 1 243 . 1 1 23 23 SER H H 1 9.764 0.020 . 1 . . . . . . . . 4706 1 244 . 1 1 23 23 SER HA H 1 4.994 0.020 . 1 . . . . . . . . 4706 1 245 . 1 1 23 23 SER HB2 H 1 3.841 0.020 . 1 . . . . . . . . 4706 1 246 . 1 1 23 23 SER HB3 H 1 3.985 0.020 . 1 . . . . . . . . 4706 1 247 . 1 1 23 23 SER CA C 13 57.819 0.300 . 1 . . . . . . . . 4706 1 248 . 1 1 23 23 SER CB C 13 65.094 0.300 . 1 . . . . . . . . 4706 1 249 . 1 1 23 23 SER N N 15 117.420 0.200 . 1 . . . . . . . . 4706 1 250 . 1 1 24 24 LEU H H 1 8.565 0.020 . 1 . . . . . . . . 4706 1 251 . 1 1 24 24 LEU HA H 1 5.642 0.020 . 1 . . . . . . . . 4706 1 252 . 1 1 24 24 LEU HB2 H 1 1.462 0.020 . 2 . . . . . . . . 4706 1 253 . 1 1 24 24 LEU HB3 H 1 1.798 0.020 . 2 . . . . . . . . 4706 1 254 . 1 1 24 24 LEU HG H 1 1.556 0.020 . 1 . . . . . . . . 4706 1 255 . 1 1 24 24 LEU HD11 H 1 0.872 0.020 . 1 . . . . . . . . 4706 1 256 . 1 1 24 24 LEU HD12 H 1 0.872 0.020 . 1 . . . . . . . . 4706 1 257 . 1 1 24 24 LEU HD13 H 1 0.872 0.020 . 1 . . . . . . . . 4706 1 258 . 1 1 24 24 LEU HD21 H 1 0.915 0.020 . 1 . . . . . . . . 4706 1 259 . 1 1 24 24 LEU HD22 H 1 0.915 0.020 . 1 . . . . . . . . 4706 1 260 . 1 1 24 24 LEU HD23 H 1 0.915 0.020 . 1 . . . . . . . . 4706 1 261 . 1 1 24 24 LEU CA C 13 53.668 0.300 . 1 . . . . . . . . 4706 1 262 . 1 1 24 24 LEU CB C 13 46.712 0.300 . 1 . . . . . . . . 4706 1 263 . 1 1 24 24 LEU CG C 13 27.224 0.300 . 1 . . . . . . . . 4706 1 264 . 1 1 24 24 LEU CD2 C 13 26.216 0.300 . 1 . . . . . . . . 4706 1 265 . 1 1 24 24 LEU CD1 C 13 25.224 0.300 . 1 . . . . . . . . 4706 1 266 . 1 1 24 24 LEU N N 15 128.333 0.200 . 1 . . . . . . . . 4706 1 267 . 1 1 25 25 TYR H H 1 8.847 0.020 . 1 . . . . . . . . 4706 1 268 . 1 1 25 25 TYR HA H 1 5.110 0.020 . 1 . . . . . . . . 4706 1 269 . 1 1 25 25 TYR HB2 H 1 3.024 0.020 . 1 . . . . . . . . 4706 1 270 . 1 1 25 25 TYR HB3 H 1 3.024 0.020 . 1 . . . . . . . . 4706 1 271 . 1 1 25 25 TYR HD1 H 1 6.793 0.020 . 1 . . . . . . . . 4706 1 272 . 1 1 25 25 TYR HD2 H 1 6.793 0.020 . 1 . . . . . . . . 4706 1 273 . 1 1 25 25 TYR HE1 H 1 6.662 0.020 . 1 . . . . . . . . 4706 1 274 . 1 1 25 25 TYR HE2 H 1 6.662 0.020 . 1 . . . . . . . . 4706 1 275 . 1 1 25 25 TYR CA C 13 56.681 0.300 . 1 . . . . . . . . 4706 1 276 . 1 1 25 25 TYR CB C 13 40.880 0.300 . 1 . . . . . . . . 4706 1 277 . 1 1 25 25 TYR CD2 C 13 132.676 0.300 . 1 . . . . . . . . 4706 1 278 . 1 1 25 25 TYR CD1 C 13 132.676 0.300 . 1 . . . . . . . . 4706 1 279 . 1 1 25 25 TYR CE2 C 13 116.157 0.300 . 1 . . . . . . . . 4706 1 280 . 1 1 25 25 TYR CE1 C 13 116.157 0.300 . 1 . . . . . . . . 4706 1 281 . 1 1 25 25 TYR N N 15 123.235 0.200 . 1 . . . . . . . . 4706 1 282 . 1 1 26 26 GLY H H 1 8.870 0.020 . 1 . . . . . . . . 4706 1 283 . 1 1 26 26 GLY HA3 H 1 4.179 0.020 . 2 . . . . . . . . 4706 1 284 . 1 1 26 26 GLY HA2 H 1 3.824 0.020 . 2 . . . . . . . . 4706 1 285 . 1 1 26 26 GLY CA C 13 46.132 0.300 . 1 . . . . . . . . 4706 1 286 . 1 1 26 26 GLY N N 15 110.245 0.200 . 1 . . . . . . . . 4706 1 287 . 1 1 27 27 THR H H 1 7.505 0.020 . 1 . . . . . . . . 4706 1 288 . 1 1 27 27 THR HA H 1 4.816 0.020 . 1 . . . . . . . . 4706 1 289 . 1 1 27 27 THR HB H 1 4.143 0.020 . 1 . . . . . . . . 4706 1 290 . 1 1 27 27 THR HG21 H 1 0.817 0.020 . 1 . . . . . . . . 4706 1 291 . 1 1 27 27 THR HG22 H 1 0.817 0.020 . 1 . . . . . . . . 4706 1 292 . 1 1 27 27 THR HG23 H 1 0.817 0.020 . 1 . . . . . . . . 4706 1 293 . 1 1 27 27 THR CA C 13 59.830 0.300 . 1 . . . . . . . . 4706 1 294 . 1 1 27 27 THR CB C 13 72.449 0.300 . 1 . . . . . . . . 4706 1 295 . 1 1 27 27 THR CG2 C 13 20.644 0.300 . 1 . . . . . . . . 4706 1 296 . 1 1 27 27 THR N N 15 108.294 0.200 . 1 . . . . . . . . 4706 1 297 . 1 1 28 28 SER H H 1 8.165 0.020 . 1 . . . . . . . . 4706 1 298 . 1 1 28 28 SER HA H 1 4.559 0.020 . 1 . . . . . . . . 4706 1 299 . 1 1 28 28 SER HB2 H 1 4.373 0.020 . 1 . . . . . . . . 4706 1 300 . 1 1 28 28 SER HB3 H 1 3.995 0.020 . 1 . . . . . . . . 4706 1 301 . 1 1 28 28 SER CA C 13 58.349 0.300 . 1 . . . . . . . . 4706 1 302 . 1 1 28 28 SER CB C 13 64.325 0.300 . 1 . . . . . . . . 4706 1 303 . 1 1 28 28 SER N N 15 115.233 0.200 . 1 . . . . . . . . 4706 1 304 . 1 1 29 29 GLU H H 1 8.508 0.020 . 1 . . . . . . . . 4706 1 305 . 1 1 29 29 GLU HA H 1 4.431 0.020 . 1 . . . . . . . . 4706 1 306 . 1 1 29 29 GLU HB2 H 1 2.035 0.020 . 2 . . . . . . . . 4706 1 307 . 1 1 29 29 GLU HB3 H 1 1.950 0.020 . 2 . . . . . . . . 4706 1 308 . 1 1 29 29 GLU HG2 H 1 2.393 0.020 . 1 . . . . . . . . 4706 1 309 . 1 1 29 29 GLU HG3 H 1 2.393 0.020 . 1 . . . . . . . . 4706 1 310 . 1 1 29 29 GLU CA C 13 55.216 0.300 . 1 . . . . . . . . 4706 1 311 . 1 1 29 29 GLU CB C 13 29.069 0.300 . 1 . . . . . . . . 4706 1 312 . 1 1 29 29 GLU CG C 13 36.148 0.300 . 1 . . . . . . . . 4706 1 313 . 1 1 29 29 GLU N N 15 121.484 0.200 . 1 . . . . . . . . 4706 1 314 . 1 1 30 30 PRO HA H 1 4.428 0.020 . 1 . . . . . . . . 4706 1 315 . 1 1 30 30 PRO HB2 H 1 1.079 0.020 . 2 . . . . . . . . 4706 1 316 . 1 1 30 30 PRO HB3 H 1 1.651 0.020 . 2 . . . . . . . . 4706 1 317 . 1 1 30 30 PRO HG2 H 1 1.931 0.020 . 2 . . . . . . . . 4706 1 318 . 1 1 30 30 PRO HG3 H 1 2.159 0.020 . 2 . . . . . . . . 4706 1 319 . 1 1 30 30 PRO HD2 H 1 3.516 0.020 . 2 . . . . . . . . 4706 1 320 . 1 1 30 30 PRO HD3 H 1 3.815 0.020 . 2 . . . . . . . . 4706 1 321 . 1 1 30 30 PRO CA C 13 62.137 0.300 . 1 . . . . . . . . 4706 1 322 . 1 1 30 30 PRO CB C 13 32.983 0.300 . 1 . . . . . . . . 4706 1 323 . 1 1 30 30 PRO CG C 13 27.321 0.300 . 1 . . . . . . . . 4706 1 324 . 1 1 30 30 PRO CD C 13 50.084 0.300 . 1 . . . . . . . . 4706 1 325 . 1 1 31 31 VAL H H 1 8.188 0.020 . 1 . . . . . . . . 4706 1 326 . 1 1 31 31 VAL HA H 1 4.131 0.020 . 1 . . . . . . . . 4706 1 327 . 1 1 31 31 VAL HB H 1 1.672 0.020 . 1 . . . . . . . . 4706 1 328 . 1 1 31 31 VAL HG11 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 329 . 1 1 31 31 VAL HG12 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 330 . 1 1 31 31 VAL HG13 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 331 . 1 1 31 31 VAL HG21 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 332 . 1 1 31 31 VAL HG22 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 333 . 1 1 31 31 VAL HG23 H 1 0.789 0.020 . 1 . . . . . . . . 4706 1 334 . 1 1 31 31 VAL CA C 13 60.965 0.300 . 1 . . . . . . . . 4706 1 335 . 1 1 31 31 VAL CB C 13 34.301 0.300 . 1 . . . . . . . . 4706 1 336 . 1 1 31 31 VAL CG2 C 13 21.158 0.300 . 1 . . . . . . . . 4706 1 337 . 1 1 31 31 VAL CG1 C 13 21.158 0.300 . 1 . . . . . . . . 4706 1 338 . 1 1 31 31 VAL N N 15 121.634 0.200 . 1 . . . . . . . . 4706 1 339 . 1 1 32 32 PHE H H 1 8.777 0.020 . 1 . . . . . . . . 4706 1 340 . 1 1 32 32 PHE HA H 1 5.130 0.020 . 1 . . . . . . . . 4706 1 341 . 1 1 32 32 PHE HB2 H 1 2.972 0.020 . 1 . . . . . . . . 4706 1 342 . 1 1 32 32 PHE HB3 H 1 2.819 0.020 . 1 . . . . . . . . 4706 1 343 . 1 1 32 32 PHE HD1 H 1 7.193 0.020 . 1 . . . . . . . . 4706 1 344 . 1 1 32 32 PHE HD2 H 1 7.193 0.020 . 1 . . . . . . . . 4706 1 345 . 1 1 32 32 PHE HE1 H 1 7.099 0.020 . 1 . . . . . . . . 4706 1 346 . 1 1 32 32 PHE HE2 H 1 7.099 0.020 . 1 . . . . . . . . 4706 1 347 . 1 1 32 32 PHE CA C 13 57.091 0.300 . 1 . . . . . . . . 4706 1 348 . 1 1 32 32 PHE CB C 13 39.300 0.300 . 1 . . . . . . . . 4706 1 349 . 1 1 32 32 PHE CD2 C 13 131.193 0.300 . 1 . . . . . . . . 4706 1 350 . 1 1 32 32 PHE CD1 C 13 131.193 0.300 . 1 . . . . . . . . 4706 1 351 . 1 1 32 32 PHE CE2 C 13 129.918 0.300 . 1 . . . . . . . . 4706 1 352 . 1 1 32 32 PHE CE1 C 13 129.918 0.300 . 1 . . . . . . . . 4706 1 353 . 1 1 32 32 PHE N N 15 129.912 0.200 . 1 . . . . . . . . 4706 1 354 . 1 1 33 33 ALA H H 1 8.713 0.020 . 1 . . . . . . . . 4706 1 355 . 1 1 33 33 ALA HA H 1 4.520 0.020 . 1 . . . . . . . . 4706 1 356 . 1 1 33 33 ALA HB1 H 1 1.288 0.020 . 1 . . . . . . . . 4706 1 357 . 1 1 33 33 ALA HB2 H 1 1.288 0.020 . 1 . . . . . . . . 4706 1 358 . 1 1 33 33 ALA HB3 H 1 1.288 0.020 . 1 . . . . . . . . 4706 1 359 . 1 1 33 33 ALA CA C 13 52.592 0.300 . 1 . . . . . . . . 4706 1 360 . 1 1 33 33 ALA CB C 13 21.395 0.300 . 1 . . . . . . . . 4706 1 361 . 1 1 33 33 ALA N N 15 127.966 0.200 . 1 . . . . . . . . 4706 1 362 . 1 1 34 34 ASP H H 1 9.089 0.020 . 1 . . . . . . . . 4706 1 363 . 1 1 34 34 ASP HA H 1 4.247 0.020 . 1 . . . . . . . . 4706 1 364 . 1 1 34 34 ASP HB2 H 1 2.567 0.020 . 2 . . . . . . . . 4706 1 365 . 1 1 34 34 ASP HB3 H 1 2.845 0.020 . 2 . . . . . . . . 4706 1 366 . 1 1 34 34 ASP CA C 13 55.277 0.300 . 1 . . . . . . . . 4706 1 367 . 1 1 34 34 ASP CB C 13 39.640 0.300 . 1 . . . . . . . . 4706 1 368 . 1 1 34 34 ASP N N 15 119.927 0.200 . 1 . . . . . . . . 4706 1 369 . 1 1 35 35 GLY H H 1 8.868 0.020 . 1 . . . . . . . . 4706 1 370 . 1 1 35 35 GLY HA3 H 1 4.090 0.020 . 2 . . . . . . . . 4706 1 371 . 1 1 35 35 GLY HA2 H 1 3.539 0.020 . 2 . . . . . . . . 4706 1 372 . 1 1 35 35 GLY CA C 13 45.763 0.300 . 1 . . . . . . . . 4706 1 373 . 1 1 35 35 GLY N N 15 106.275 0.200 . 1 . . . . . . . . 4706 1 374 . 1 1 36 36 ARG H H 1 7.905 0.020 . 1 . . . . . . . . 4706 1 375 . 1 1 36 36 ARG HA H 1 4.507 0.020 . 1 . . . . . . . . 4706 1 376 . 1 1 36 36 ARG HB2 H 1 1.319 0.020 . 2 . . . . . . . . 4706 1 377 . 1 1 36 36 ARG HB3 H 1 1.427 0.020 . 2 . . . . . . . . 4706 1 378 . 1 1 36 36 ARG HG2 H 1 1.700 0.020 . 1 . . . . . . . . 4706 1 379 . 1 1 36 36 ARG HG3 H 1 1.700 0.020 . 1 . . . . . . . . 4706 1 380 . 1 1 36 36 ARG HD2 H 1 2.869 0.020 . 1 . . . . . . . . 4706 1 381 . 1 1 36 36 ARG HD3 H 1 2.869 0.020 . 1 . . . . . . . . 4706 1 382 . 1 1 36 36 ARG HE H 1 7.009 0.020 . 1 . . . . . . . . 4706 1 383 . 1 1 36 36 ARG CA C 13 53.845 0.300 . 1 . . . . . . . . 4706 1 384 . 1 1 36 36 ARG CB C 13 33.642 0.300 . 1 . . . . . . . . 4706 1 385 . 1 1 36 36 ARG CG C 13 24.812 0.300 . 1 . . . . . . . . 4706 1 386 . 1 1 36 36 ARG CD C 13 43.972 0.300 . 1 . . . . . . . . 4706 1 387 . 1 1 36 36 ARG N N 15 118.685 0.200 . 1 . . . . . . . . 4706 1 388 . 1 1 36 36 ARG NE N 15 87.301 0.200 . 1 . . . . . . . . 4706 1 389 . 1 1 37 37 MET H H 1 7.877 0.020 . 1 . . . . . . . . 4706 1 390 . 1 1 37 37 MET HA H 1 4.720 0.020 . 1 . . . . . . . . 4706 1 391 . 1 1 37 37 MET HB2 H 1 1.809 0.020 . 2 . . . . . . . . 4706 1 392 . 1 1 37 37 MET HB3 H 1 2.208 0.020 . 2 . . . . . . . . 4706 1 393 . 1 1 37 37 MET HG2 H 1 1.059 0.020 . 2 . . . . . . . . 4706 1 394 . 1 1 37 37 MET HG3 H 1 1.373 0.020 . 2 . . . . . . . . 4706 1 395 . 1 1 37 37 MET HE1 H 1 1.216 0.020 . 1 . . . . . . . . 4706 1 396 . 1 1 37 37 MET HE2 H 1 1.216 0.020 . 1 . . . . . . . . 4706 1 397 . 1 1 37 37 MET HE3 H 1 1.216 0.020 . 1 . . . . . . . . 4706 1 398 . 1 1 37 37 MET CA C 13 54.230 0.300 . 1 . . . . . . . . 4706 1 399 . 1 1 37 37 MET CB C 13 35.783 0.300 . 1 . . . . . . . . 4706 1 400 . 1 1 37 37 MET CG C 13 32.186 0.300 . 1 . . . . . . . . 4706 1 401 . 1 1 37 37 MET CE C 13 16.482 0.300 . 1 . . . . . . . . 4706 1 402 . 1 1 37 37 MET N N 15 121.467 0.200 . 1 . . . . . . . . 4706 1 403 . 1 1 38 38 CYS H H 1 8.517 0.020 . 1 . . . . . . . . 4706 1 404 . 1 1 38 38 CYS HA H 1 5.693 0.020 . 1 . . . . . . . . 4706 1 405 . 1 1 38 38 CYS HB2 H 1 2.534 0.020 . 1 . . . . . . . . 4706 1 406 . 1 1 38 38 CYS HB3 H 1 2.534 0.020 . 1 . . . . . . . . 4706 1 407 . 1 1 38 38 CYS CA C 13 54.643 0.300 . 1 . . . . . . . . 4706 1 408 . 1 1 38 38 CYS CB C 13 47.325 0.300 . 1 . . . . . . . . 4706 1 409 . 1 1 38 38 CYS N N 15 124.099 0.200 . 1 . . . . . . . . 4706 1 410 . 1 1 39 39 VAL H H 1 9.231 0.020 . 1 . . . . . . . . 4706 1 411 . 1 1 39 39 VAL HA H 1 4.291 0.020 . 1 . . . . . . . . 4706 1 412 . 1 1 39 39 VAL HB H 1 1.848 0.020 . 1 . . . . . . . . 4706 1 413 . 1 1 39 39 VAL HG11 H 1 0.712 0.020 . 1 . . . . . . . . 4706 1 414 . 1 1 39 39 VAL HG12 H 1 0.712 0.020 . 1 . . . . . . . . 4706 1 415 . 1 1 39 39 VAL HG13 H 1 0.712 0.020 . 1 . . . . . . . . 4706 1 416 . 1 1 39 39 VAL HG21 H 1 0.767 0.020 . 1 . . . . . . . . 4706 1 417 . 1 1 39 39 VAL HG22 H 1 0.767 0.020 . 1 . . . . . . . . 4706 1 418 . 1 1 39 39 VAL HG23 H 1 0.767 0.020 . 1 . . . . . . . . 4706 1 419 . 1 1 39 39 VAL CA C 13 58.861 0.300 . 1 . . . . . . . . 4706 1 420 . 1 1 39 39 VAL CB C 13 36.274 0.300 . 1 . . . . . . . . 4706 1 421 . 1 1 39 39 VAL CG2 C 13 19.066 0.300 . 1 . . . . . . . . 4706 1 422 . 1 1 39 39 VAL CG1 C 13 23.733 0.300 . 1 . . . . . . . . 4706 1 423 . 1 1 39 39 VAL N N 15 116.303 0.200 . 1 . . . . . . . . 4706 1 424 . 1 1 40 40 ASP H H 1 8.613 0.020 . 1 . . . . . . . . 4706 1 425 . 1 1 40 40 ASP HA H 1 5.112 0.020 . 1 . . . . . . . . 4706 1 426 . 1 1 40 40 ASP HB2 H 1 2.335 0.020 . 1 . . . . . . . . 4706 1 427 . 1 1 40 40 ASP HB3 H 1 2.564 0.020 . 1 . . . . . . . . 4706 1 428 . 1 1 40 40 ASP CA C 13 53.400 0.300 . 1 . . . . . . . . 4706 1 429 . 1 1 40 40 ASP CB C 13 41.453 0.300 . 1 . . . . . . . . 4706 1 430 . 1 1 40 40 ASP N N 15 121.751 0.200 . 1 . . . . . . . . 4706 1 431 . 1 1 41 41 LEU H H 1 9.198 0.020 . 1 . . . . . . . . 4706 1 432 . 1 1 41 41 LEU HA H 1 4.756 0.020 . 1 . . . . . . . . 4706 1 433 . 1 1 41 41 LEU HB2 H 1 1.357 0.020 . 1 . . . . . . . . 4706 1 434 . 1 1 41 41 LEU HB3 H 1 2.174 0.020 . 1 . . . . . . . . 4706 1 435 . 1 1 41 41 LEU HG H 1 1.712 0.020 . 1 . . . . . . . . 4706 1 436 . 1 1 41 41 LEU HD11 H 1 0.670 0.020 . 1 . . . . . . . . 4706 1 437 . 1 1 41 41 LEU HD12 H 1 0.670 0.020 . 1 . . . . . . . . 4706 1 438 . 1 1 41 41 LEU HD13 H 1 0.670 0.020 . 1 . . . . . . . . 4706 1 439 . 1 1 41 41 LEU HD21 H 1 0.189 0.020 . 1 . . . . . . . . 4706 1 440 . 1 1 41 41 LEU HD22 H 1 0.189 0.020 . 1 . . . . . . . . 4706 1 441 . 1 1 41 41 LEU HD23 H 1 0.189 0.020 . 1 . . . . . . . . 4706 1 442 . 1 1 41 41 LEU CA C 13 48.810 0.300 . 1 . . . . . . . . 4706 1 443 . 1 1 41 41 LEU CB C 13 37.993 0.300 . 1 . . . . . . . . 4706 1 444 . 1 1 41 41 LEU CG C 13 27.796 0.300 . 1 . . . . . . . . 4706 1 445 . 1 1 41 41 LEU CD2 C 13 23.883 0.300 . 1 . . . . . . . . 4706 1 446 . 1 1 41 41 LEU CD1 C 13 25.134 0.300 . 1 . . . . . . . . 4706 1 447 . 1 1 41 41 LEU N N 15 132.105 0.200 . 1 . . . . . . . . 4706 1 448 . 1 1 42 42 PRO HA H 1 4.325 0.020 . 1 . . . . . . . . 4706 1 449 . 1 1 42 42 PRO HB2 H 1 2.089 0.020 . 1 . . . . . . . . 4706 1 450 . 1 1 42 42 PRO HB3 H 1 2.089 0.020 . 1 . . . . . . . . 4706 1 451 . 1 1 42 42 PRO HG2 H 1 1.986 0.020 . 1 . . . . . . . . 4706 1 452 . 1 1 42 42 PRO HG3 H 1 1.986 0.020 . 1 . . . . . . . . 4706 1 453 . 1 1 42 42 PRO HD2 H 1 3.632 0.020 . 1 . . . . . . . . 4706 1 454 . 1 1 42 42 PRO HD3 H 1 3.632 0.020 . 1 . . . . . . . . 4706 1 455 . 1 1 42 42 PRO CA C 13 64.056 0.300 . 1 . . . . . . . . 4706 1 456 . 1 1 42 42 PRO CB C 13 32.871 0.300 . 1 . . . . . . . . 4706 1 457 . 1 1 42 42 PRO CG C 13 26.928 0.300 . 1 . . . . . . . . 4706 1 458 . 1 1 42 42 PRO CD C 13 50.604 0.300 . 1 . . . . . . . . 4706 1 459 . 1 1 43 43 GLY H H 1 8.206 0.020 . 1 . . . . . . . . 4706 1 460 . 1 1 43 43 GLY HA3 H 1 4.102 0.020 . 2 . . . . . . . . 4706 1 461 . 1 1 43 43 GLY HA2 H 1 3.378 0.020 . 2 . . . . . . . . 4706 1 462 . 1 1 43 43 GLY CA C 13 43.758 0.300 . 1 . . . . . . . . 4706 1 463 . 1 1 43 43 GLY N N 15 111.682 0.200 . 1 . . . . . . . . 4706 1 464 . 1 1 44 44 GLY H H 1 8.710 0.020 . 1 . . . . . . . . 4706 1 465 . 1 1 44 44 GLY HA3 H 1 3.784 0.020 . 2 . . . . . . . . 4706 1 466 . 1 1 44 44 GLY HA2 H 1 3.886 0.020 . 2 . . . . . . . . 4706 1 467 . 1 1 44 44 GLY CA C 13 46.184 0.300 . 1 . . . . . . . . 4706 1 468 . 1 1 44 44 GLY N N 15 105.900 0.200 . 1 . . . . . . . . 4706 1 469 . 1 1 45 45 GLN H H 1 7.085 0.020 . 1 . . . . . . . . 4706 1 470 . 1 1 45 45 GLN HA H 1 4.314 0.020 . 1 . . . . . . . . 4706 1 471 . 1 1 45 45 GLN HB2 H 1 1.905 0.020 . 1 . . . . . . . . 4706 1 472 . 1 1 45 45 GLN HB3 H 1 1.727 0.020 . 1 . . . . . . . . 4706 1 473 . 1 1 45 45 GLN HG2 H 1 2.204 0.020 . 2 . . . . . . . . 4706 1 474 . 1 1 45 45 GLN HG3 H 1 2.078 0.020 . 2 . . . . . . . . 4706 1 475 . 1 1 45 45 GLN HE21 H 1 7.422 0.020 . 1 . . . . . . . . 4706 1 476 . 1 1 45 45 GLN HE22 H 1 6.475 0.020 . 1 . . . . . . . . 4706 1 477 . 1 1 45 45 GLN CA C 13 54.694 0.300 . 1 . . . . . . . . 4706 1 478 . 1 1 45 45 GLN CB C 13 28.936 0.300 . 1 . . . . . . . . 4706 1 479 . 1 1 45 45 GLN CG C 13 33.364 0.300 . 1 . . . . . . . . 4706 1 480 . 1 1 45 45 GLN N N 15 120.749 0.200 . 1 . . . . . . . . 4706 1 481 . 1 1 45 45 GLN NE2 N 15 111.875 0.200 . 1 . . . . . . . . 4706 1 482 . 1 1 46 46 GLY H H 1 7.972 0.020 . 1 . . . . . . . . 4706 1 483 . 1 1 46 46 GLY HA3 H 1 3.672 0.020 . 2 . . . . . . . . 4706 1 484 . 1 1 46 46 GLY HA2 H 1 3.527 0.020 . 2 . . . . . . . . 4706 1 485 . 1 1 46 46 GLY CA C 13 45.908 0.300 . 1 . . . . . . . . 4706 1 486 . 1 1 46 46 GLY N N 15 111.563 0.200 . 1 . . . . . . . . 4706 1 487 . 1 1 47 47 ASN H H 1 7.764 0.020 . 1 . . . . . . . . 4706 1 488 . 1 1 47 47 ASN HA H 1 4.653 0.020 . 1 . . . . . . . . 4706 1 489 . 1 1 47 47 ASN HB2 H 1 -0.265 0.020 . 1 . . . . . . . . 4706 1 490 . 1 1 47 47 ASN HB3 H 1 1.359 0.020 . 1 . . . . . . . . 4706 1 491 . 1 1 47 47 ASN HD21 H 1 7.949 0.020 . 1 . . . . . . . . 4706 1 492 . 1 1 47 47 ASN HD22 H 1 6.739 0.020 . 1 . . . . . . . . 4706 1 493 . 1 1 47 47 ASN CA C 13 49.016 0.300 . 1 . . . . . . . . 4706 1 494 . 1 1 47 47 ASN CB C 13 37.822 0.300 . 1 . . . . . . . . 4706 1 495 . 1 1 47 47 ASN N N 15 118.414 0.200 . 1 . . . . . . . . 4706 1 496 . 1 1 47 47 ASN ND2 N 15 118.607 0.200 . 1 . . . . . . . . 4706 1 497 . 1 1 48 48 PRO HA H 1 4.486 0.020 . 1 . . . . . . . . 4706 1 498 . 1 1 48 48 PRO HB2 H 1 1.824 0.020 . 2 . . . . . . . . 4706 1 499 . 1 1 48 48 PRO HB3 H 1 2.461 0.020 . 2 . . . . . . . . 4706 1 500 . 1 1 48 48 PRO HG2 H 1 1.981 0.020 . 2 . . . . . . . . 4706 1 501 . 1 1 48 48 PRO HG3 H 1 2.128 0.020 . 2 . . . . . . . . 4706 1 502 . 1 1 48 48 PRO HD2 H 1 3.509 0.020 . 2 . . . . . . . . 4706 1 503 . 1 1 48 48 PRO HD3 H 1 2.433 0.020 . 2 . . . . . . . . 4706 1 504 . 1 1 48 48 PRO CA C 13 64.130 0.300 . 1 . . . . . . . . 4706 1 505 . 1 1 48 48 PRO CB C 13 32.523 0.300 . 1 . . . . . . . . 4706 1 506 . 1 1 48 48 PRO CG C 13 27.566 0.300 . 1 . . . . . . . . 4706 1 507 . 1 1 48 48 PRO CD C 13 49.915 0.300 . 1 . . . . . . . . 4706 1 508 . 1 1 49 49 TRP H H 1 5.747 0.020 . 1 . . . . . . . . 4706 1 509 . 1 1 49 49 TRP HA H 1 3.727 0.020 . 1 . . . . . . . . 4706 1 510 . 1 1 49 49 TRP HB2 H 1 2.899 0.020 . 1 . . . . . . . . 4706 1 511 . 1 1 49 49 TRP HB3 H 1 2.057 0.020 . 1 . . . . . . . . 4706 1 512 . 1 1 49 49 TRP HD1 H 1 6.883 0.020 . 1 . . . . . . . . 4706 1 513 . 1 1 49 49 TRP HE1 H 1 10.335 0.020 . 1 . . . . . . . . 4706 1 514 . 1 1 49 49 TRP HE3 H 1 7.415 0.020 . 1 . . . . . . . . 4706 1 515 . 1 1 49 49 TRP HH2 H 1 7.175 0.020 . 1 . . . . . . . . 4706 1 516 . 1 1 49 49 TRP HZ2 H 1 7.391 0.020 . 1 . . . . . . . . 4706 1 517 . 1 1 49 49 TRP HZ3 H 1 7.186 0.020 . 1 . . . . . . . . 4706 1 518 . 1 1 49 49 TRP CA C 13 57.554 0.300 . 1 . . . . . . . . 4706 1 519 . 1 1 49 49 TRP CB C 13 26.724 0.300 . 1 . . . . . . . . 4706 1 520 . 1 1 49 49 TRP CD1 C 13 126.886 0.300 . 1 . . . . . . . . 4706 1 521 . 1 1 49 49 TRP CE3 C 13 118.365 0.300 . 1 . . . . . . . . 4706 1 522 . 1 1 49 49 TRP CZ2 C 13 122.054 0.300 . 1 . . . . . . . . 4706 1 523 . 1 1 49 49 TRP CZ3 C 13 124.337 0.300 . 1 . . . . . . . . 4706 1 524 . 1 1 49 49 TRP CH2 C 13 74.702 0.300 . 1 . . . . . . . . 4706 1 525 . 1 1 49 49 TRP N N 15 108.319 0.200 . 1 . . . . . . . . 4706 1 526 . 1 1 49 49 TRP NE1 N 15 135.415 0.200 . 1 . . . . . . . . 4706 1 527 . 1 1 50 50 ASP H H 1 7.312 0.020 . 1 . . . . . . . . 4706 1 528 . 1 1 50 50 ASP HA H 1 4.490 0.020 . 1 . . . . . . . . 4706 1 529 . 1 1 50 50 ASP HB2 H 1 2.346 0.020 . 1 . . . . . . . . 4706 1 530 . 1 1 50 50 ASP HB3 H 1 2.703 0.020 . 1 . . . . . . . . 4706 1 531 . 1 1 50 50 ASP CA C 13 56.654 0.300 . 1 . . . . . . . . 4706 1 532 . 1 1 50 50 ASP CB C 13 40.841 0.300 . 1 . . . . . . . . 4706 1 533 . 1 1 50 50 ASP N N 15 126.444 0.200 . 1 . . . . . . . . 4706 1 534 . 1 1 51 51 ALA H H 1 7.128 0.020 . 1 . . . . . . . . 4706 1 535 . 1 1 51 51 ALA HA H 1 4.118 0.020 . 1 . . . . . . . . 4706 1 536 . 1 1 51 51 ALA HB1 H 1 0.982 0.020 . 1 . . . . . . . . 4706 1 537 . 1 1 51 51 ALA HB2 H 1 0.982 0.020 . 1 . . . . . . . . 4706 1 538 . 1 1 51 51 ALA HB3 H 1 0.982 0.020 . 1 . . . . . . . . 4706 1 539 . 1 1 51 51 ALA CA C 13 51.048 0.300 . 1 . . . . . . . . 4706 1 540 . 1 1 51 51 ALA CB C 13 23.975 0.300 . 1 . . . . . . . . 4706 1 541 . 1 1 51 51 ALA N N 15 119.609 0.200 . 1 . . . . . . . . 4706 1 542 . 1 1 52 52 GLY H H 1 7.666 0.020 . 1 . . . . . . . . 4706 1 543 . 1 1 52 52 GLY HA3 H 1 4.517 0.020 . 2 . . . . . . . . 4706 1 544 . 1 1 52 52 GLY HA2 H 1 3.677 0.020 . 2 . . . . . . . . 4706 1 545 . 1 1 52 52 GLY CA C 13 46.684 0.300 . 1 . . . . . . . . 4706 1 546 . 1 1 52 52 GLY N N 15 108.259 0.200 . 1 . . . . . . . . 4706 1 547 . 1 1 53 53 LEU H H 1 8.291 0.020 . 1 . . . . . . . . 4706 1 548 . 1 1 53 53 LEU HA H 1 5.650 0.020 . 1 . . . . . . . . 4706 1 549 . 1 1 53 53 LEU HB2 H 1 1.847 0.020 . 2 . . . . . . . . 4706 1 550 . 1 1 53 53 LEU HB3 H 1 1.135 0.020 . 2 . . . . . . . . 4706 1 551 . 1 1 53 53 LEU HG H 1 1.831 0.020 . 1 . . . . . . . . 4706 1 552 . 1 1 53 53 LEU HD11 H 1 0.880 0.020 . 1 . . . . . . . . 4706 1 553 . 1 1 53 53 LEU HD12 H 1 0.880 0.020 . 1 . . . . . . . . 4706 1 554 . 1 1 53 53 LEU HD13 H 1 0.880 0.020 . 1 . . . . . . . . 4706 1 555 . 1 1 53 53 LEU HD21 H 1 0.020 0.020 . 1 . . . . . . . . 4706 1 556 . 1 1 53 53 LEU HD22 H 1 0.020 0.020 . 1 . . . . . . . . 4706 1 557 . 1 1 53 53 LEU HD23 H 1 0.020 0.020 . 1 . . . . . . . . 4706 1 558 . 1 1 53 53 LEU CA C 13 53.812 0.300 . 1 . . . . . . . . 4706 1 559 . 1 1 53 53 LEU CB C 13 45.614 0.300 . 1 . . . . . . . . 4706 1 560 . 1 1 53 53 LEU CG C 13 27.579 0.300 . 1 . . . . . . . . 4706 1 561 . 1 1 53 53 LEU CD2 C 13 26.534 0.300 . 1 . . . . . . . . 4706 1 562 . 1 1 53 53 LEU CD1 C 13 24.269 0.300 . 1 . . . . . . . . 4706 1 563 . 1 1 53 53 LEU N N 15 123.020 0.200 . 1 . . . . . . . . 4706 1 564 . 1 1 54 54 VAL H H 1 9.854 0.020 . 1 . . . . . . . . 4706 1 565 . 1 1 54 54 VAL HA H 1 5.739 0.020 . 1 . . . . . . . . 4706 1 566 . 1 1 54 54 VAL HB H 1 2.083 0.020 . 1 . . . . . . . . 4706 1 567 . 1 1 54 54 VAL HG11 H 1 1.143 0.020 . 2 . . . . . . . . 4706 1 568 . 1 1 54 54 VAL HG12 H 1 1.143 0.020 . 2 . . . . . . . . 4706 1 569 . 1 1 54 54 VAL HG13 H 1 1.143 0.020 . 2 . . . . . . . . 4706 1 570 . 1 1 54 54 VAL HG21 H 1 1.055 0.020 . 2 . . . . . . . . 4706 1 571 . 1 1 54 54 VAL HG22 H 1 1.055 0.020 . 2 . . . . . . . . 4706 1 572 . 1 1 54 54 VAL HG23 H 1 1.055 0.020 . 2 . . . . . . . . 4706 1 573 . 1 1 54 54 VAL CA C 13 60.068 0.300 . 1 . . . . . . . . 4706 1 574 . 1 1 54 54 VAL CB C 13 37.254 0.300 . 1 . . . . . . . . 4706 1 575 . 1 1 54 54 VAL CG2 C 13 21.631 0.300 . 2 . . . . . . . . 4706 1 576 . 1 1 54 54 VAL CG1 C 13 21.695 0.300 . 2 . . . . . . . . 4706 1 577 . 1 1 54 54 VAL N N 15 124.960 0.200 . 1 . . . . . . . . 4706 1 578 . 1 1 55 55 TYR H H 1 8.885 0.020 . 1 . . . . . . . . 4706 1 579 . 1 1 55 55 TYR HA H 1 4.354 0.020 . 1 . . . . . . . . 4706 1 580 . 1 1 55 55 TYR HB2 H 1 0.304 0.020 . 1 . . . . . . . . 4706 1 581 . 1 1 55 55 TYR HB3 H 1 1.528 0.020 . 1 . . . . . . . . 4706 1 582 . 1 1 55 55 TYR HD1 H 1 6.117 0.020 . 1 . . . . . . . . 4706 1 583 . 1 1 55 55 TYR HD2 H 1 6.117 0.020 . 1 . . . . . . . . 4706 1 584 . 1 1 55 55 TYR HE1 H 1 6.398 0.020 . 1 . . . . . . . . 4706 1 585 . 1 1 55 55 TYR HE2 H 1 6.398 0.020 . 1 . . . . . . . . 4706 1 586 . 1 1 55 55 TYR CA C 13 57.016 0.300 . 1 . . . . . . . . 4706 1 587 . 1 1 55 55 TYR CB C 13 38.266 0.300 . 1 . . . . . . . . 4706 1 588 . 1 1 55 55 TYR CD2 C 13 130.933 0.300 . 1 . . . . . . . . 4706 1 589 . 1 1 55 55 TYR CD1 C 13 130.933 0.300 . 1 . . . . . . . . 4706 1 590 . 1 1 55 55 TYR CE2 C 13 116.636 0.300 . 1 . . . . . . . . 4706 1 591 . 1 1 55 55 TYR CE1 C 13 116.636 0.300 . 1 . . . . . . . . 4706 1 592 . 1 1 55 55 TYR N N 15 127.944 0.200 . 1 . . . . . . . . 4706 1 593 . 1 1 56 56 ASN H H 1 7.339 0.020 . 1 . . . . . . . . 4706 1 594 . 1 1 56 56 ASN HA H 1 4.652 0.020 . 1 . . . . . . . . 4706 1 595 . 1 1 56 56 ASN HB2 H 1 2.302 0.020 . 1 . . . . . . . . 4706 1 596 . 1 1 56 56 ASN HB3 H 1 2.083 0.020 . 1 . . . . . . . . 4706 1 597 . 1 1 56 56 ASN HD21 H 1 7.317 0.020 . 1 . . . . . . . . 4706 1 598 . 1 1 56 56 ASN HD22 H 1 6.880 0.020 . 1 . . . . . . . . 4706 1 599 . 1 1 56 56 ASN CA C 13 52.515 0.300 . 1 . . . . . . . . 4706 1 600 . 1 1 56 56 ASN CB C 13 41.175 0.300 . 1 . . . . . . . . 4706 1 601 . 1 1 56 56 ASN N N 15 126.440 0.200 . 1 . . . . . . . . 4706 1 602 . 1 1 56 56 ASN ND2 N 15 115.129 0.200 . 1 . . . . . . . . 4706 1 603 . 1 1 57 57 GLY H H 1 8.672 0.020 . 1 . . . . . . . . 4706 1 604 . 1 1 57 57 GLY HA3 H 1 4.328 0.020 . 2 . . . . . . . . 4706 1 605 . 1 1 57 57 GLY HA2 H 1 4.105 0.020 . 2 . . . . . . . . 4706 1 606 . 1 1 57 57 GLY CA C 13 45.701 0.300 . 1 . . . . . . . . 4706 1 607 . 1 1 57 57 GLY N N 15 108.633 0.200 . 1 . . . . . . . . 4706 1 608 . 1 1 58 58 VAL H H 1 7.920 0.020 . 1 . . . . . . . . 4706 1 609 . 1 1 58 58 VAL HA H 1 4.778 0.020 . 1 . . . . . . . . 4706 1 610 . 1 1 58 58 VAL HB H 1 1.702 0.020 . 1 . . . . . . . . 4706 1 611 . 1 1 58 58 VAL HG11 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 612 . 1 1 58 58 VAL HG12 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 613 . 1 1 58 58 VAL HG13 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 614 . 1 1 58 58 VAL HG21 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 615 . 1 1 58 58 VAL HG22 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 616 . 1 1 58 58 VAL HG23 H 1 0.836 0.020 . 1 . . . . . . . . 4706 1 617 . 1 1 58 58 VAL CA C 13 57.531 0.300 . 1 . . . . . . . . 4706 1 618 . 1 1 58 58 VAL CB C 13 34.162 0.300 . 1 . . . . . . . . 4706 1 619 . 1 1 58 58 VAL CG2 C 13 21.118 0.300 . 1 . . . . . . . . 4706 1 620 . 1 1 58 58 VAL CG1 C 13 21.118 0.300 . 1 . . . . . . . . 4706 1 621 . 1 1 58 58 VAL N N 15 122.808 0.200 . 1 . . . . . . . . 4706 1 622 . 1 1 59 59 PRO HA H 1 4.571 0.020 . 1 . . . . . . . . 4706 1 623 . 1 1 59 59 PRO HB2 H 1 2.007 0.020 . 2 . . . . . . . . 4706 1 624 . 1 1 59 59 PRO HB3 H 1 1.905 0.020 . 2 . . . . . . . . 4706 1 625 . 1 1 59 59 PRO HG2 H 1 2.359 0.020 . 2 . . . . . . . . 4706 1 626 . 1 1 59 59 PRO HG3 H 1 2.134 0.020 . 2 . . . . . . . . 4706 1 627 . 1 1 59 59 PRO HD2 H 1 3.897 0.020 . 1 . . . . . . . . 4706 1 628 . 1 1 59 59 PRO HD3 H 1 3.897 0.020 . 1 . . . . . . . . 4706 1 629 . 1 1 59 59 PRO CA C 13 61.413 0.300 . 1 . . . . . . . . 4706 1 630 . 1 1 59 59 PRO CB C 13 31.518 0.300 . 1 . . . . . . . . 4706 1 631 . 1 1 59 59 PRO CG C 13 27.055 0.300 . 1 . . . . . . . . 4706 1 632 . 1 1 59 59 PRO CD C 13 50.731 0.300 . 1 . . . . . . . . 4706 1 633 . 1 1 60 60 VAL H H 1 8.288 0.020 . 1 . . . . . . . . 4706 1 634 . 1 1 60 60 VAL HA H 1 4.287 0.020 . 1 . . . . . . . . 4706 1 635 . 1 1 60 60 VAL HB H 1 1.637 0.020 . 1 . . . . . . . . 4706 1 636 . 1 1 60 60 VAL HG11 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 637 . 1 1 60 60 VAL HG12 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 638 . 1 1 60 60 VAL HG13 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 639 . 1 1 60 60 VAL HG21 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 640 . 1 1 60 60 VAL HG22 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 641 . 1 1 60 60 VAL HG23 H 1 0.612 0.020 . 1 . . . . . . . . 4706 1 642 . 1 1 60 60 VAL CA C 13 60.649 0.300 . 1 . . . . . . . . 4706 1 643 . 1 1 60 60 VAL CB C 13 34.890 0.300 . 1 . . . . . . . . 4706 1 644 . 1 1 60 60 VAL CG2 C 13 21.244 0.300 . 1 . . . . . . . . 4706 1 645 . 1 1 60 60 VAL CG1 C 13 21.244 0.300 . 1 . . . . . . . . 4706 1 646 . 1 1 60 60 VAL N N 15 125.907 0.200 . 1 . . . . . . . . 4706 1 647 . 1 1 61 61 GLY H H 1 8.856 0.020 . 1 . . . . . . . . 4706 1 648 . 1 1 61 61 GLY HA3 H 1 4.623 0.020 . 2 . . . . . . . . 4706 1 649 . 1 1 61 61 GLY HA2 H 1 3.540 0.020 . 2 . . . . . . . . 4706 1 650 . 1 1 61 61 GLY CA C 13 44.417 0.300 . 1 . . . . . . . . 4706 1 651 . 1 1 61 61 GLY N N 15 115.949 0.200 . 1 . . . . . . . . 4706 1 652 . 1 1 62 62 GLU H H 1 7.915 0.020 . 1 . . . . . . . . 4706 1 653 . 1 1 62 62 GLU HA H 1 3.469 0.020 . 1 . . . . . . . . 4706 1 654 . 1 1 62 62 GLU HB2 H 1 1.645 0.020 . 2 . . . . . . . . 4706 1 655 . 1 1 62 62 GLU HB3 H 1 1.655 0.020 . 2 . . . . . . . . 4706 1 656 . 1 1 62 62 GLU HG2 H 1 1.977 0.020 . 1 . . . . . . . . 4706 1 657 . 1 1 62 62 GLU HG3 H 1 1.977 0.020 . 1 . . . . . . . . 4706 1 658 . 1 1 62 62 GLU CA C 13 57.104 0.300 . 1 . . . . . . . . 4706 1 659 . 1 1 62 62 GLU CB C 13 29.381 0.300 . 1 . . . . . . . . 4706 1 660 . 1 1 62 62 GLU CG C 13 35.167 0.300 . 1 . . . . . . . . 4706 1 661 . 1 1 62 62 GLU N N 15 125.890 0.200 . 1 . . . . . . . . 4706 1 662 . 1 1 63 63 GLY H H 1 9.317 0.020 . 1 . . . . . . . . 4706 1 663 . 1 1 63 63 GLY HA3 H 1 4.182 0.020 . 2 . . . . . . . . 4706 1 664 . 1 1 63 63 GLY HA2 H 1 3.592 0.020 . 2 . . . . . . . . 4706 1 665 . 1 1 63 63 GLY CA C 13 45.256 0.300 . 1 . . . . . . . . 4706 1 666 . 1 1 63 63 GLY N N 15 116.098 0.200 . 1 . . . . . . . . 4706 1 667 . 1 1 64 64 GLU H H 1 7.741 0.020 . 1 . . . . . . . . 4706 1 668 . 1 1 64 64 GLU HA H 1 4.405 0.020 . 1 . . . . . . . . 4706 1 669 . 1 1 64 64 GLU HB2 H 1 2.323 0.020 . 1 . . . . . . . . 4706 1 670 . 1 1 64 64 GLU HB3 H 1 1.703 0.020 . 1 . . . . . . . . 4706 1 671 . 1 1 64 64 GLU HG2 H 1 1.958 0.020 . 2 . . . . . . . . 4706 1 672 . 1 1 64 64 GLU HG3 H 1 2.100 0.020 . 2 . . . . . . . . 4706 1 673 . 1 1 64 64 GLU CA C 13 55.269 0.300 . 1 . . . . . . . . 4706 1 674 . 1 1 64 64 GLU CB C 13 30.127 0.300 . 1 . . . . . . . . 4706 1 675 . 1 1 64 64 GLU CG C 13 35.822 0.300 . 1 . . . . . . . . 4706 1 676 . 1 1 64 64 GLU N N 15 122.263 0.200 . 1 . . . . . . . . 4706 1 677 . 1 1 65 65 SER H H 1 8.383 0.020 . 1 . . . . . . . . 4706 1 678 . 1 1 65 65 SER HA H 1 5.111 0.020 . 1 . . . . . . . . 4706 1 679 . 1 1 65 65 SER HB2 H 1 3.474 0.020 . 1 . . . . . . . . 4706 1 680 . 1 1 65 65 SER HB3 H 1 3.780 0.020 . 1 . . . . . . . . 4706 1 681 . 1 1 65 65 SER CA C 13 57.655 0.300 . 1 . . . . . . . . 4706 1 682 . 1 1 65 65 SER CB C 13 64.484 0.300 . 1 . . . . . . . . 4706 1 683 . 1 1 65 65 SER N N 15 118.208 0.200 . 1 . . . . . . . . 4706 1 684 . 1 1 66 66 TYR H H 1 8.704 0.020 . 1 . . . . . . . . 4706 1 685 . 1 1 66 66 TYR HA H 1 5.263 0.020 . 1 . . . . . . . . 4706 1 686 . 1 1 66 66 TYR HB2 H 1 1.028 0.020 . 1 . . . . . . . . 4706 1 687 . 1 1 66 66 TYR HB3 H 1 2.460 0.020 . 1 . . . . . . . . 4706 1 688 . 1 1 66 66 TYR HD1 H 1 6.493 0.020 . 1 . . . . . . . . 4706 1 689 . 1 1 66 66 TYR HD2 H 1 6.493 0.020 . 1 . . . . . . . . 4706 1 690 . 1 1 66 66 TYR HE1 H 1 6.710 0.020 . 1 . . . . . . . . 4706 1 691 . 1 1 66 66 TYR HE2 H 1 6.710 0.020 . 1 . . . . . . . . 4706 1 692 . 1 1 66 66 TYR CA C 13 56.809 0.300 . 1 . . . . . . . . 4706 1 693 . 1 1 66 66 TYR CB C 13 44.567 0.300 . 1 . . . . . . . . 4706 1 694 . 1 1 66 66 TYR CD2 C 13 131.803 0.300 . 1 . . . . . . . . 4706 1 695 . 1 1 66 66 TYR CD1 C 13 131.803 0.300 . 1 . . . . . . . . 4706 1 696 . 1 1 66 66 TYR CE2 C 13 117.505 0.300 . 1 . . . . . . . . 4706 1 697 . 1 1 66 66 TYR CE1 C 13 117.505 0.300 . 1 . . . . . . . . 4706 1 698 . 1 1 66 66 TYR N N 15 124.060 0.200 . 1 . . . . . . . . 4706 1 699 . 1 1 67 67 VAL H H 1 8.579 0.020 . 1 . . . . . . . . 4706 1 700 . 1 1 67 67 VAL HA H 1 4.547 0.020 . 1 . . . . . . . . 4706 1 701 . 1 1 67 67 VAL HB H 1 1.895 0.020 . 1 . . . . . . . . 4706 1 702 . 1 1 67 67 VAL HG11 H 1 0.656 0.020 . 1 . . . . . . . . 4706 1 703 . 1 1 67 67 VAL HG12 H 1 0.656 0.020 . 1 . . . . . . . . 4706 1 704 . 1 1 67 67 VAL HG13 H 1 0.656 0.020 . 1 . . . . . . . . 4706 1 705 . 1 1 67 67 VAL HG21 H 1 0.724 0.020 . 1 . . . . . . . . 4706 1 706 . 1 1 67 67 VAL HG22 H 1 0.724 0.020 . 1 . . . . . . . . 4706 1 707 . 1 1 67 67 VAL HG23 H 1 0.724 0.020 . 1 . . . . . . . . 4706 1 708 . 1 1 67 67 VAL CA C 13 62.288 0.300 . 1 . . . . . . . . 4706 1 709 . 1 1 67 67 VAL CB C 13 33.874 0.300 . 1 . . . . . . . . 4706 1 710 . 1 1 67 67 VAL CG2 C 13 21.482 0.300 . 1 . . . . . . . . 4706 1 711 . 1 1 67 67 VAL CG1 C 13 21.482 0.300 . 1 . . . . . . . . 4706 1 712 . 1 1 67 67 VAL N N 15 121.402 0.200 . 1 . . . . . . . . 4706 1 713 . 1 1 68 68 LEU H H 1 9.248 0.020 . 1 . . . . . . . . 4706 1 714 . 1 1 68 68 LEU HA H 1 5.710 0.020 . 1 . . . . . . . . 4706 1 715 . 1 1 68 68 LEU HB2 H 1 1.415 0.020 . 1 . . . . . . . . 4706 1 716 . 1 1 68 68 LEU HB3 H 1 2.073 0.020 . 1 . . . . . . . . 4706 1 717 . 1 1 68 68 LEU HG H 1 1.800 0.020 . 1 . . . . . . . . 4706 1 718 . 1 1 68 68 LEU HD11 H 1 1.164 0.020 . 1 . . . . . . . . 4706 1 719 . 1 1 68 68 LEU HD12 H 1 1.164 0.020 . 1 . . . . . . . . 4706 1 720 . 1 1 68 68 LEU HD13 H 1 1.164 0.020 . 1 . . . . . . . . 4706 1 721 . 1 1 68 68 LEU HD21 H 1 0.925 0.020 . 1 . . . . . . . . 4706 1 722 . 1 1 68 68 LEU HD22 H 1 0.925 0.020 . 1 . . . . . . . . 4706 1 723 . 1 1 68 68 LEU HD23 H 1 0.925 0.020 . 1 . . . . . . . . 4706 1 724 . 1 1 68 68 LEU CA C 13 53.316 0.300 . 1 . . . . . . . . 4706 1 725 . 1 1 68 68 LEU CB C 13 45.131 0.300 . 1 . . . . . . . . 4706 1 726 . 1 1 68 68 LEU CG C 13 28.697 0.300 . 1 . . . . . . . . 4706 1 727 . 1 1 68 68 LEU CD2 C 13 27.233 0.300 . 1 . . . . . . . . 4706 1 728 . 1 1 68 68 LEU CD1 C 13 23.854 0.300 . 1 . . . . . . . . 4706 1 729 . 1 1 68 68 LEU N N 15 134.675 0.200 . 1 . . . . . . . . 4706 1 730 . 1 1 69 69 SER H H 1 9.872 0.020 . 1 . . . . . . . . 4706 1 731 . 1 1 69 69 SER HA H 1 5.947 0.020 . 1 . . . . . . . . 4706 1 732 . 1 1 69 69 SER HB2 H 1 3.716 0.020 . 1 . . . . . . . . 4706 1 733 . 1 1 69 69 SER HB3 H 1 3.716 0.020 . 1 . . . . . . . . 4706 1 734 . 1 1 69 69 SER CA C 13 55.729 0.300 . 1 . . . . . . . . 4706 1 735 . 1 1 69 69 SER CB C 13 66.671 0.300 . 1 . . . . . . . . 4706 1 736 . 1 1 69 69 SER N N 15 123.354 0.200 . 1 . . . . . . . . 4706 1 737 . 1 1 70 70 PHE H H 1 8.493 0.020 . 1 . . . . . . . . 4706 1 738 . 1 1 70 70 PHE HA H 1 5.484 0.020 . 1 . . . . . . . . 4706 1 739 . 1 1 70 70 PHE HB2 H 1 3.365 0.020 . 1 . . . . . . . . 4706 1 740 . 1 1 70 70 PHE HB3 H 1 3.843 0.020 . 1 . . . . . . . . 4706 1 741 . 1 1 70 70 PHE HD1 H 1 7.160 0.020 . 1 . . . . . . . . 4706 1 742 . 1 1 70 70 PHE HD2 H 1 7.160 0.020 . 1 . . . . . . . . 4706 1 743 . 1 1 70 70 PHE HE1 H 1 7.394 0.020 . 1 . . . . . . . . 4706 1 744 . 1 1 70 70 PHE HE2 H 1 7.394 0.020 . 1 . . . . . . . . 4706 1 745 . 1 1 70 70 PHE CA C 13 56.789 0.300 . 1 . . . . . . . . 4706 1 746 . 1 1 70 70 PHE CB C 13 41.417 0.300 . 1 . . . . . . . . 4706 1 747 . 1 1 70 70 PHE CD2 C 13 131.935 0.300 . 1 . . . . . . . . 4706 1 748 . 1 1 70 70 PHE CD1 C 13 131.935 0.300 . 1 . . . . . . . . 4706 1 749 . 1 1 70 70 PHE CE2 C 13 129.538 0.300 . 1 . . . . . . . . 4706 1 750 . 1 1 70 70 PHE CE1 C 13 129.538 0.300 . 1 . . . . . . . . 4706 1 751 . 1 1 70 70 PHE N N 15 117.475 0.200 . 1 . . . . . . . . 4706 1 752 . 1 1 71 71 THR H H 1 8.458 0.020 . 1 . . . . . . . . 4706 1 753 . 1 1 71 71 THR HA H 1 5.288 0.020 . 1 . . . . . . . . 4706 1 754 . 1 1 71 71 THR HB H 1 4.070 0.020 . 1 . . . . . . . . 4706 1 755 . 1 1 71 71 THR HG21 H 1 0.968 0.020 . 1 . . . . . . . . 4706 1 756 . 1 1 71 71 THR HG22 H 1 0.968 0.020 . 1 . . . . . . . . 4706 1 757 . 1 1 71 71 THR HG23 H 1 0.968 0.020 . 1 . . . . . . . . 4706 1 758 . 1 1 71 71 THR CA C 13 61.589 0.300 . 1 . . . . . . . . 4706 1 759 . 1 1 71 71 THR CB C 13 70.510 0.300 . 1 . . . . . . . . 4706 1 760 . 1 1 71 71 THR CG2 C 13 20.888 0.300 . 1 . . . . . . . . 4706 1 761 . 1 1 71 71 THR N N 15 118.890 0.200 . 1 . . . . . . . . 4706 1 762 . 1 1 72 72 ALA H H 1 8.364 0.020 . 1 . . . . . . . . 4706 1 763 . 1 1 72 72 ALA HA H 1 5.199 0.020 . 1 . . . . . . . . 4706 1 764 . 1 1 72 72 ALA HB1 H 1 1.521 0.020 . 1 . . . . . . . . 4706 1 765 . 1 1 72 72 ALA HB2 H 1 1.521 0.020 . 1 . . . . . . . . 4706 1 766 . 1 1 72 72 ALA HB3 H 1 1.521 0.020 . 1 . . . . . . . . 4706 1 767 . 1 1 72 72 ALA CA C 13 51.571 0.300 . 1 . . . . . . . . 4706 1 768 . 1 1 72 72 ALA CB C 13 24.810 0.300 . 1 . . . . . . . . 4706 1 769 . 1 1 72 72 ALA N N 15 128.766 0.200 . 1 . . . . . . . . 4706 1 770 . 1 1 73 73 SER H H 1 9.207 0.020 . 1 . . . . . . . . 4706 1 771 . 1 1 73 73 SER HA H 1 5.001 0.020 . 1 . . . . . . . . 4706 1 772 . 1 1 73 73 SER HB2 H 1 4.074 0.020 . 1 . . . . . . . . 4706 1 773 . 1 1 73 73 SER HB3 H 1 3.220 0.020 . 1 . . . . . . . . 4706 1 774 . 1 1 73 73 SER CA C 13 57.559 0.300 . 1 . . . . . . . . 4706 1 775 . 1 1 73 73 SER CB C 13 67.267 0.300 . 1 . . . . . . . . 4706 1 776 . 1 1 73 73 SER N N 15 117.103 0.200 . 1 . . . . . . . . 4706 1 777 . 1 1 74 74 ALA H H 1 8.085 0.020 . 1 . . . . . . . . 4706 1 778 . 1 1 74 74 ALA HA H 1 5.575 0.020 . 1 . . . . . . . . 4706 1 779 . 1 1 74 74 ALA HB1 H 1 1.497 0.020 . 1 . . . . . . . . 4706 1 780 . 1 1 74 74 ALA HB2 H 1 1.497 0.020 . 1 . . . . . . . . 4706 1 781 . 1 1 74 74 ALA HB3 H 1 1.497 0.020 . 1 . . . . . . . . 4706 1 782 . 1 1 74 74 ALA CA C 13 51.861 0.300 . 1 . . . . . . . . 4706 1 783 . 1 1 74 74 ALA CB C 13 24.879 0.300 . 1 . . . . . . . . 4706 1 784 . 1 1 74 74 ALA N N 15 123.400 0.200 . 1 . . . . . . . . 4706 1 785 . 1 1 75 75 THR H H 1 8.482 0.020 . 1 . . . . . . . . 4706 1 786 . 1 1 75 75 THR HA H 1 4.489 0.020 . 1 . . . . . . . . 4706 1 787 . 1 1 75 75 THR HB H 1 3.903 0.020 . 1 . . . . . . . . 4706 1 788 . 1 1 75 75 THR HG21 H 1 1.144 0.020 . 1 . . . . . . . . 4706 1 789 . 1 1 75 75 THR HG22 H 1 1.144 0.020 . 1 . . . . . . . . 4706 1 790 . 1 1 75 75 THR HG23 H 1 1.144 0.020 . 1 . . . . . . . . 4706 1 791 . 1 1 75 75 THR CA C 13 59.504 0.300 . 1 . . . . . . . . 4706 1 792 . 1 1 75 75 THR CB C 13 72.197 0.300 . 1 . . . . . . . . 4706 1 793 . 1 1 75 75 THR CG2 C 13 20.659 0.300 . 1 . . . . . . . . 4706 1 794 . 1 1 75 75 THR N N 15 115.971 0.200 . 1 . . . . . . . . 4706 1 795 . 1 1 76 76 PRO HA H 1 4.846 0.020 . 1 . . . . . . . . 4706 1 796 . 1 1 76 76 PRO HB2 H 1 2.223 0.020 . 2 . . . . . . . . 4706 1 797 . 1 1 76 76 PRO HB3 H 1 2.453 0.020 . 2 . . . . . . . . 4706 1 798 . 1 1 76 76 PRO HG2 H 1 1.958 0.020 . 2 . . . . . . . . 4706 1 799 . 1 1 76 76 PRO HG3 H 1 1.669 0.020 . 2 . . . . . . . . 4706 1 800 . 1 1 76 76 PRO HD2 H 1 3.804 0.020 . 2 . . . . . . . . 4706 1 801 . 1 1 76 76 PRO HD3 H 1 3.518 0.020 . 2 . . . . . . . . 4706 1 802 . 1 1 76 76 PRO CA C 13 63.520 0.300 . 1 . . . . . . . . 4706 1 803 . 1 1 76 76 PRO CB C 13 34.590 0.300 . 1 . . . . . . . . 4706 1 804 . 1 1 76 76 PRO CG C 13 25.541 0.300 . 1 . . . . . . . . 4706 1 805 . 1 1 76 76 PRO CD C 13 49.952 0.300 . 1 . . . . . . . . 4706 1 806 . 1 1 77 77 ASP H H 1 7.662 0.020 . 1 . . . . . . . . 4706 1 807 . 1 1 77 77 ASP HA H 1 4.088 0.020 . 1 . . . . . . . . 4706 1 808 . 1 1 77 77 ASP HB2 H 1 2.504 0.020 . 1 . . . . . . . . 4706 1 809 . 1 1 77 77 ASP HB3 H 1 2.708 0.020 . 1 . . . . . . . . 4706 1 810 . 1 1 77 77 ASP CA C 13 55.903 0.300 . 1 . . . . . . . . 4706 1 811 . 1 1 77 77 ASP CB C 13 40.330 0.300 . 1 . . . . . . . . 4706 1 812 . 1 1 77 77 ASP N N 15 116.414 0.200 . 1 . . . . . . . . 4706 1 813 . 1 1 78 78 MET H H 1 7.246 0.020 . 1 . . . . . . . . 4706 1 814 . 1 1 78 78 MET HA H 1 4.927 0.020 . 1 . . . . . . . . 4706 1 815 . 1 1 78 78 MET HB2 H 1 1.487 0.020 . 2 . . . . . . . . 4706 1 816 . 1 1 78 78 MET HB3 H 1 1.298 0.020 . 2 . . . . . . . . 4706 1 817 . 1 1 78 78 MET HG2 H 1 1.119 0.020 . 2 . . . . . . . . 4706 1 818 . 1 1 78 78 MET HG3 H 1 1.626 0.020 . 2 . . . . . . . . 4706 1 819 . 1 1 78 78 MET HE1 H 1 1.600 0.020 . 1 . . . . . . . . 4706 1 820 . 1 1 78 78 MET HE2 H 1 1.600 0.020 . 1 . . . . . . . . 4706 1 821 . 1 1 78 78 MET HE3 H 1 1.600 0.020 . 1 . . . . . . . . 4706 1 822 . 1 1 78 78 MET CA C 13 52.166 0.300 . 1 . . . . . . . . 4706 1 823 . 1 1 78 78 MET CB C 13 36.099 0.300 . 1 . . . . . . . . 4706 1 824 . 1 1 78 78 MET CG C 13 31.205 0.300 . 1 . . . . . . . . 4706 1 825 . 1 1 78 78 MET CE C 13 15.667 0.300 . 1 . . . . . . . . 4706 1 826 . 1 1 78 78 MET N N 15 122.811 0.200 . 1 . . . . . . . . 4706 1 827 . 1 1 79 79 PRO HA H 1 5.486 0.020 . 1 . . . . . . . . 4706 1 828 . 1 1 79 79 PRO HB2 H 1 1.804 0.020 . 2 . . . . . . . . 4706 1 829 . 1 1 79 79 PRO HB3 H 1 1.708 0.020 . 2 . . . . . . . . 4706 1 830 . 1 1 79 79 PRO HG2 H 1 1.934 0.020 . 1 . . . . . . . . 4706 1 831 . 1 1 79 79 PRO HG3 H 1 1.934 0.020 . 1 . . . . . . . . 4706 1 832 . 1 1 79 79 PRO HD2 H 1 3.743 0.020 . 2 . . . . . . . . 4706 1 833 . 1 1 79 79 PRO HD3 H 1 3.445 0.020 . 2 . . . . . . . . 4706 1 834 . 1 1 79 79 PRO CA C 13 60.120 0.300 . 1 . . . . . . . . 4706 1 835 . 1 1 79 79 PRO CB C 13 31.810 0.300 . 1 . . . . . . . . 4706 1 836 . 1 1 79 79 PRO CG C 13 27.012 0.300 . 1 . . . . . . . . 4706 1 837 . 1 1 79 79 PRO CD C 13 50.688 0.300 . 1 . . . . . . . . 4706 1 838 . 1 1 80 80 VAL H H 1 8.280 0.020 . 1 . . . . . . . . 4706 1 839 . 1 1 80 80 VAL HA H 1 4.648 0.020 . 1 . . . . . . . . 4706 1 840 . 1 1 80 80 VAL HB H 1 2.043 0.020 . 1 . . . . . . . . 4706 1 841 . 1 1 80 80 VAL HG11 H 1 0.883 0.020 . 1 . . . . . . . . 4706 1 842 . 1 1 80 80 VAL HG12 H 1 0.883 0.020 . 1 . . . . . . . . 4706 1 843 . 1 1 80 80 VAL HG13 H 1 0.883 0.020 . 1 . . . . . . . . 4706 1 844 . 1 1 80 80 VAL HG21 H 1 0.886 0.020 . 1 . . . . . . . . 4706 1 845 . 1 1 80 80 VAL HG22 H 1 0.886 0.020 . 1 . . . . . . . . 4706 1 846 . 1 1 80 80 VAL HG23 H 1 0.886 0.020 . 1 . . . . . . . . 4706 1 847 . 1 1 80 80 VAL CA C 13 59.380 0.300 . 1 . . . . . . . . 4706 1 848 . 1 1 80 80 VAL CB C 13 35.100 0.300 . 1 . . . . . . . . 4706 1 849 . 1 1 80 80 VAL CG2 C 13 18.437 0.300 . 1 . . . . . . . . 4706 1 850 . 1 1 80 80 VAL CG1 C 13 21.572 0.300 . 1 . . . . . . . . 4706 1 851 . 1 1 80 80 VAL N N 15 114.424 0.200 . 1 . . . . . . . . 4706 1 852 . 1 1 81 81 ARG H H 1 6.925 0.020 . 1 . . . . . . . . 4706 1 853 . 1 1 81 81 ARG HA H 1 5.308 0.020 . 1 . . . . . . . . 4706 1 854 . 1 1 81 81 ARG HB2 H 1 1.956 0.020 . 1 . . . . . . . . 4706 1 855 . 1 1 81 81 ARG HB3 H 1 1.956 0.020 . 1 . . . . . . . . 4706 1 856 . 1 1 81 81 ARG HG2 H 1 1.296 0.020 . 2 . . . . . . . . 4706 1 857 . 1 1 81 81 ARG HG3 H 1 1.626 0.020 . 2 . . . . . . . . 4706 1 858 . 1 1 81 81 ARG HD2 H 1 3.274 0.020 . 2 . . . . . . . . 4706 1 859 . 1 1 81 81 ARG HD3 H 1 3.500 0.020 . 2 . . . . . . . . 4706 1 860 . 1 1 81 81 ARG HE H 1 8.126 0.020 . 1 . . . . . . . . 4706 1 861 . 1 1 81 81 ARG CA C 13 53.834 0.300 . 1 . . . . . . . . 4706 1 862 . 1 1 81 81 ARG CB C 13 32.118 0.300 . 1 . . . . . . . . 4706 1 863 . 1 1 81 81 ARG CG C 13 28.698 0.300 . 1 . . . . . . . . 4706 1 864 . 1 1 81 81 ARG CD C 13 44.266 0.300 . 1 . . . . . . . . 4706 1 865 . 1 1 81 81 ARG N N 15 122.647 0.200 . 1 . . . . . . . . 4706 1 866 . 1 1 81 81 ARG NE N 15 89.111 0.200 . 1 . . . . . . . . 4706 1 867 . 1 1 82 82 VAL H H 1 8.614 0.020 . 1 . . . . . . . . 4706 1 868 . 1 1 82 82 VAL HA H 1 4.870 0.020 . 1 . . . . . . . . 4706 1 869 . 1 1 82 82 VAL HB H 1 1.517 0.020 . 1 . . . . . . . . 4706 1 870 . 1 1 82 82 VAL HG11 H 1 0.636 0.020 . 1 . . . . . . . . 4706 1 871 . 1 1 82 82 VAL HG12 H 1 0.636 0.020 . 1 . . . . . . . . 4706 1 872 . 1 1 82 82 VAL HG13 H 1 0.636 0.020 . 1 . . . . . . . . 4706 1 873 . 1 1 82 82 VAL HG21 H 1 0.501 0.020 . 1 . . . . . . . . 4706 1 874 . 1 1 82 82 VAL HG22 H 1 0.501 0.020 . 1 . . . . . . . . 4706 1 875 . 1 1 82 82 VAL HG23 H 1 0.501 0.020 . 1 . . . . . . . . 4706 1 876 . 1 1 82 82 VAL CA C 13 58.718 0.300 . 1 . . . . . . . . 4706 1 877 . 1 1 82 82 VAL CB C 13 35.042 0.300 . 1 . . . . . . . . 4706 1 878 . 1 1 82 82 VAL CG2 C 13 21.454 0.300 . 1 . . . . . . . . 4706 1 879 . 1 1 82 82 VAL CG1 C 13 20.804 0.300 . 1 . . . . . . . . 4706 1 880 . 1 1 82 82 VAL N N 15 127.365 0.200 . 1 . . . . . . . . 4706 1 881 . 1 1 83 83 LEU H H 1 8.685 0.020 . 1 . . . . . . . . 4706 1 882 . 1 1 83 83 LEU HA H 1 4.806 0.020 . 1 . . . . . . . . 4706 1 883 . 1 1 83 83 LEU HB2 H 1 1.438 0.020 . 2 . . . . . . . . 4706 1 884 . 1 1 83 83 LEU HB3 H 1 1.523 0.020 . 2 . . . . . . . . 4706 1 885 . 1 1 83 83 LEU HG H 1 1.291 0.020 . 1 . . . . . . . . 4706 1 886 . 1 1 83 83 LEU HD11 H 1 0.486 0.020 . 1 . . . . . . . . 4706 1 887 . 1 1 83 83 LEU HD12 H 1 0.486 0.020 . 1 . . . . . . . . 4706 1 888 . 1 1 83 83 LEU HD13 H 1 0.486 0.020 . 1 . . . . . . . . 4706 1 889 . 1 1 83 83 LEU HD21 H 1 0.166 0.020 . 1 . . . . . . . . 4706 1 890 . 1 1 83 83 LEU HD22 H 1 0.166 0.020 . 1 . . . . . . . . 4706 1 891 . 1 1 83 83 LEU HD23 H 1 0.166 0.020 . 1 . . . . . . . . 4706 1 892 . 1 1 83 83 LEU CA C 13 54.581 0.300 . 1 . . . . . . . . 4706 1 893 . 1 1 83 83 LEU CB C 13 44.962 0.300 . 1 . . . . . . . . 4706 1 894 . 1 1 83 83 LEU CG C 13 25.688 0.300 . 1 . . . . . . . . 4706 1 895 . 1 1 83 83 LEU CD2 C 13 27.582 0.300 . 1 . . . . . . . . 4706 1 896 . 1 1 83 83 LEU CD1 C 13 25.688 0.300 . 1 . . . . . . . . 4706 1 897 . 1 1 83 83 LEU N N 15 122.977 0.200 . 1 . . . . . . . . 4706 1 898 . 1 1 84 84 VAL H H 1 8.426 0.020 . 1 . . . . . . . . 4706 1 899 . 1 1 84 84 VAL HA H 1 5.062 0.020 . 1 . . . . . . . . 4706 1 900 . 1 1 84 84 VAL HB H 1 1.774 0.020 . 1 . . . . . . . . 4706 1 901 . 1 1 84 84 VAL HG11 H 1 0.868 0.020 . 2 . . . . . . . . 4706 1 902 . 1 1 84 84 VAL HG12 H 1 0.868 0.020 . 2 . . . . . . . . 4706 1 903 . 1 1 84 84 VAL HG13 H 1 0.868 0.020 . 2 . . . . . . . . 4706 1 904 . 1 1 84 84 VAL HG21 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 905 . 1 1 84 84 VAL HG22 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 906 . 1 1 84 84 VAL HG23 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 907 . 1 1 84 84 VAL CA C 13 61.354 0.300 . 1 . . . . . . . . 4706 1 908 . 1 1 84 84 VAL CB C 13 33.837 0.300 . 1 . . . . . . . . 4706 1 909 . 1 1 84 84 VAL CG2 C 13 21.870 0.300 . 2 . . . . . . . . 4706 1 910 . 1 1 84 84 VAL CG1 C 13 20.981 0.300 . 2 . . . . . . . . 4706 1 911 . 1 1 84 84 VAL N N 15 119.957 0.200 . 1 . . . . . . . . 4706 1 912 . 1 1 85 85 GLY H H 1 8.783 0.020 . 1 . . . . . . . . 4706 1 913 . 1 1 85 85 GLY HA3 H 1 4.531 0.020 . 2 . . . . . . . . 4706 1 914 . 1 1 85 85 GLY HA2 H 1 3.897 0.020 . 2 . . . . . . . . 4706 1 915 . 1 1 85 85 GLY CA C 13 46.868 0.300 . 1 . . . . . . . . 4706 1 916 . 1 1 85 85 GLY N N 15 117.578 0.200 . 1 . . . . . . . . 4706 1 917 . 1 1 86 86 GLU H H 1 7.635 0.020 . 1 . . . . . . . . 4706 1 918 . 1 1 86 86 GLU HA H 1 4.039 0.020 . 1 . . . . . . . . 4706 1 919 . 1 1 86 86 GLU HB2 H 1 1.268 0.020 . 1 . . . . . . . . 4706 1 920 . 1 1 86 86 GLU HB3 H 1 0.928 0.020 . 1 . . . . . . . . 4706 1 921 . 1 1 86 86 GLU HG2 H 1 2.275 0.020 . 2 . . . . . . . . 4706 1 922 . 1 1 86 86 GLU HG3 H 1 2.189 0.020 . 2 . . . . . . . . 4706 1 923 . 1 1 86 86 GLU CA C 13 53.012 0.300 . 1 . . . . . . . . 4706 1 924 . 1 1 86 86 GLU CB C 13 29.336 0.300 . 1 . . . . . . . . 4706 1 925 . 1 1 86 86 GLU CG C 13 33.347 0.300 . 1 . . . . . . . . 4706 1 926 . 1 1 86 86 GLU N N 15 118.665 0.200 . 1 . . . . . . . . 4706 1 927 . 1 1 87 87 GLY H H 1 9.304 0.020 . 1 . . . . . . . . 4706 1 928 . 1 1 87 87 GLY HA3 H 1 4.096 0.020 . 2 . . . . . . . . 4706 1 929 . 1 1 87 87 GLY HA2 H 1 3.168 0.020 . 2 . . . . . . . . 4706 1 930 . 1 1 87 87 GLY CA C 13 46.093 0.300 . 1 . . . . . . . . 4706 1 931 . 1 1 87 87 GLY N N 15 115.346 0.200 . 1 . . . . . . . . 4706 1 932 . 1 1 88 88 GLY H H 1 6.451 0.020 . 1 . . . . . . . . 4706 1 933 . 1 1 88 88 GLY HA3 H 1 3.999 0.020 . 2 . . . . . . . . 4706 1 934 . 1 1 88 88 GLY HA2 H 1 3.099 0.020 . 2 . . . . . . . . 4706 1 935 . 1 1 88 88 GLY CA C 13 43.613 0.300 . 1 . . . . . . . . 4706 1 936 . 1 1 88 88 GLY N N 15 108.867 0.200 . 1 . . . . . . . . 4706 1 937 . 1 1 89 89 GLY H H 1 8.183 0.020 . 1 . . . . . . . . 4706 1 938 . 1 1 89 89 GLY HA3 H 1 3.532 0.020 . 2 . . . . . . . . 4706 1 939 . 1 1 89 89 GLY HA2 H 1 3.372 0.020 . 2 . . . . . . . . 4706 1 940 . 1 1 89 89 GLY CA C 13 46.778 0.300 . 1 . . . . . . . . 4706 1 941 . 1 1 89 89 GLY N N 15 109.036 0.200 . 1 . . . . . . . . 4706 1 942 . 1 1 90 90 ALA H H 1 8.595 0.020 . 1 . . . . . . . . 4706 1 943 . 1 1 90 90 ALA HA H 1 4.202 0.020 . 1 . . . . . . . . 4706 1 944 . 1 1 90 90 ALA HB1 H 1 1.350 0.020 . 1 . . . . . . . . 4706 1 945 . 1 1 90 90 ALA HB2 H 1 1.350 0.020 . 1 . . . . . . . . 4706 1 946 . 1 1 90 90 ALA HB3 H 1 1.350 0.020 . 1 . . . . . . . . 4706 1 947 . 1 1 90 90 ALA CA C 13 51.962 0.300 . 1 . . . . . . . . 4706 1 948 . 1 1 90 90 ALA CB C 13 19.111 0.300 . 1 . . . . . . . . 4706 1 949 . 1 1 90 90 ALA N N 15 130.251 0.200 . 1 . . . . . . . . 4706 1 950 . 1 1 91 91 TYR H H 1 8.208 0.020 . 1 . . . . . . . . 4706 1 951 . 1 1 91 91 TYR HA H 1 4.045 0.020 . 1 . . . . . . . . 4706 1 952 . 1 1 91 91 TYR HB2 H 1 2.718 0.020 . 1 . . . . . . . . 4706 1 953 . 1 1 91 91 TYR HB3 H 1 3.201 0.020 . 1 . . . . . . . . 4706 1 954 . 1 1 91 91 TYR HD1 H 1 6.905 0.020 . 1 . . . . . . . . 4706 1 955 . 1 1 91 91 TYR HD2 H 1 6.905 0.020 . 1 . . . . . . . . 4706 1 956 . 1 1 91 91 TYR HE1 H 1 6.402 0.020 . 1 . . . . . . . . 4706 1 957 . 1 1 91 91 TYR HE2 H 1 6.402 0.020 . 1 . . . . . . . . 4706 1 958 . 1 1 91 91 TYR CA C 13 59.808 0.300 . 1 . . . . . . . . 4706 1 959 . 1 1 91 91 TYR CB C 13 35.552 0.300 . 1 . . . . . . . . 4706 1 960 . 1 1 91 91 TYR CD2 C 13 132.871 0.300 . 1 . . . . . . . . 4706 1 961 . 1 1 91 91 TYR CD1 C 13 132.871 0.300 . 1 . . . . . . . . 4706 1 962 . 1 1 91 91 TYR CE2 C 13 116.884 0.300 . 1 . . . . . . . . 4706 1 963 . 1 1 91 91 TYR CE1 C 13 116.884 0.300 . 1 . . . . . . . . 4706 1 964 . 1 1 91 91 TYR N N 15 117.307 0.200 . 1 . . . . . . . . 4706 1 965 . 1 1 92 92 ARG H H 1 9.486 0.020 . 1 . . . . . . . . 4706 1 966 . 1 1 92 92 ARG HA H 1 4.174 0.020 . 1 . . . . . . . . 4706 1 967 . 1 1 92 92 ARG HB2 H 1 1.803 0.020 . 1 . . . . . . . . 4706 1 968 . 1 1 92 92 ARG HB3 H 1 1.803 0.020 . 1 . . . . . . . . 4706 1 969 . 1 1 92 92 ARG HG2 H 1 1.817 0.020 . 2 . . . . . . . . 4706 1 970 . 1 1 92 92 ARG HG3 H 1 1.670 0.020 . 2 . . . . . . . . 4706 1 971 . 1 1 92 92 ARG HD2 H 1 3.332 0.020 . 2 . . . . . . . . 4706 1 972 . 1 1 92 92 ARG HD3 H 1 3.028 0.020 . 2 . . . . . . . . 4706 1 973 . 1 1 92 92 ARG HE H 1 8.361 0.020 . 1 . . . . . . . . 4706 1 974 . 1 1 92 92 ARG CA C 13 57.346 0.300 . 1 . . . . . . . . 4706 1 975 . 1 1 92 92 ARG CB C 13 31.337 0.300 . 1 . . . . . . . . 4706 1 976 . 1 1 92 92 ARG CG C 13 26.449 0.300 . 1 . . . . . . . . 4706 1 977 . 1 1 92 92 ARG CD C 13 43.406 0.300 . 1 . . . . . . . . 4706 1 978 . 1 1 92 92 ARG N N 15 121.039 0.200 . 1 . . . . . . . . 4706 1 979 . 1 1 92 92 ARG NE N 15 87.079 0.200 . 1 . . . . . . . . 4706 1 980 . 1 1 93 93 THR H H 1 8.120 0.020 . 1 . . . . . . . . 4706 1 981 . 1 1 93 93 THR HA H 1 4.773 0.020 . 1 . . . . . . . . 4706 1 982 . 1 1 93 93 THR HB H 1 3.992 0.020 . 1 . . . . . . . . 4706 1 983 . 1 1 93 93 THR HG21 H 1 1.058 0.020 . 1 . . . . . . . . 4706 1 984 . 1 1 93 93 THR HG22 H 1 1.058 0.020 . 1 . . . . . . . . 4706 1 985 . 1 1 93 93 THR HG23 H 1 1.058 0.020 . 1 . . . . . . . . 4706 1 986 . 1 1 93 93 THR CA C 13 59.263 0.300 . 1 . . . . . . . . 4706 1 987 . 1 1 93 93 THR CB C 13 69.991 0.300 . 1 . . . . . . . . 4706 1 988 . 1 1 93 93 THR CG2 C 13 23.659 0.300 . 1 . . . . . . . . 4706 1 989 . 1 1 93 93 THR N N 15 108.185 0.200 . 1 . . . . . . . . 4706 1 990 . 1 1 94 94 ALA H H 1 9.232 0.020 . 1 . . . . . . . . 4706 1 991 . 1 1 94 94 ALA HA H 1 4.620 0.020 . 1 . . . . . . . . 4706 1 992 . 1 1 94 94 ALA HB1 H 1 1.397 0.020 . 1 . . . . . . . . 4706 1 993 . 1 1 94 94 ALA HB2 H 1 1.397 0.020 . 1 . . . . . . . . 4706 1 994 . 1 1 94 94 ALA HB3 H 1 1.397 0.020 . 1 . . . . . . . . 4706 1 995 . 1 1 94 94 ALA CA C 13 52.093 0.300 . 1 . . . . . . . . 4706 1 996 . 1 1 94 94 ALA CB C 13 21.126 0.300 . 1 . . . . . . . . 4706 1 997 . 1 1 94 94 ALA N N 15 125.205 0.200 . 1 . . . . . . . . 4706 1 998 . 1 1 95 95 PHE H H 1 7.778 0.020 . 1 . . . . . . . . 4706 1 999 . 1 1 95 95 PHE HA H 1 4.228 0.020 . 1 . . . . . . . . 4706 1 1000 . 1 1 95 95 PHE HB2 H 1 1.637 0.020 . 1 . . . . . . . . 4706 1 1001 . 1 1 95 95 PHE HB3 H 1 1.202 0.020 . 1 . . . . . . . . 4706 1 1002 . 1 1 95 95 PHE HD1 H 1 6.619 0.020 . 1 . . . . . . . . 4706 1 1003 . 1 1 95 95 PHE HD2 H 1 6.619 0.020 . 1 . . . . . . . . 4706 1 1004 . 1 1 95 95 PHE HE1 H 1 6.701 0.020 . 1 . . . . . . . . 4706 1 1005 . 1 1 95 95 PHE HE2 H 1 6.701 0.020 . 1 . . . . . . . . 4706 1 1006 . 1 1 95 95 PHE CA C 13 56.918 0.300 . 1 . . . . . . . . 4706 1 1007 . 1 1 95 95 PHE CB C 13 41.638 0.300 . 1 . . . . . . . . 4706 1 1008 . 1 1 95 95 PHE CD2 C 13 128.590 0.300 . 1 . . . . . . . . 4706 1 1009 . 1 1 95 95 PHE CD1 C 13 128.590 0.300 . 1 . . . . . . . . 4706 1 1010 . 1 1 95 95 PHE CE2 C 13 128.590 0.300 . 1 . . . . . . . . 4706 1 1011 . 1 1 95 95 PHE CE1 C 13 128.590 0.300 . 1 . . . . . . . . 4706 1 1012 . 1 1 95 95 PHE N N 15 119.209 0.200 . 1 . . . . . . . . 4706 1 1013 . 1 1 96 96 GLU H H 1 7.260 0.020 . 1 . . . . . . . . 4706 1 1014 . 1 1 96 96 GLU HA H 1 4.114 0.020 . 1 . . . . . . . . 4706 1 1015 . 1 1 96 96 GLU HB2 H 1 1.702 0.020 . 2 . . . . . . . . 4706 1 1016 . 1 1 96 96 GLU HB3 H 1 1.550 0.020 . 2 . . . . . . . . 4706 1 1017 . 1 1 96 96 GLU HG2 H 1 1.873 0.020 . 2 . . . . . . . . 4706 1 1018 . 1 1 96 96 GLU HG3 H 1 1.766 0.020 . 2 . . . . . . . . 4706 1 1019 . 1 1 96 96 GLU CA C 13 55.263 0.300 . 1 . . . . . . . . 4706 1 1020 . 1 1 96 96 GLU CB C 13 32.671 0.300 . 1 . . . . . . . . 4706 1 1021 . 1 1 96 96 GLU CG C 13 35.123 0.300 . 1 . . . . . . . . 4706 1 1022 . 1 1 96 96 GLU N N 15 127.167 0.200 . 1 . . . . . . . . 4706 1 1023 . 1 1 97 97 GLN H H 1 8.527 0.020 . 1 . . . . . . . . 4706 1 1024 . 1 1 97 97 GLN HA H 1 4.231 0.020 . 1 . . . . . . . . 4706 1 1025 . 1 1 97 97 GLN HB2 H 1 1.693 0.020 . 2 . . . . . . . . 4706 1 1026 . 1 1 97 97 GLN HB3 H 1 1.479 0.020 . 2 . . . . . . . . 4706 1 1027 . 1 1 97 97 GLN HG2 H 1 1.836 0.020 . 2 . . . . . . . . 4706 1 1028 . 1 1 97 97 GLN HG3 H 1 2.207 0.020 . 2 . . . . . . . . 4706 1 1029 . 1 1 97 97 GLN HE21 H 1 6.864 0.020 . 1 . . . . . . . . 4706 1 1030 . 1 1 97 97 GLN HE22 H 1 7.006 0.020 . 1 . . . . . . . . 4706 1 1031 . 1 1 97 97 GLN CA C 13 53.943 0.300 . 1 . . . . . . . . 4706 1 1032 . 1 1 97 97 GLN CB C 13 30.267 0.300 . 1 . . . . . . . . 4706 1 1033 . 1 1 97 97 GLN CG C 13 33.943 0.300 . 1 . . . . . . . . 4706 1 1034 . 1 1 97 97 GLN N N 15 126.743 0.200 . 1 . . . . . . . . 4706 1 1035 . 1 1 97 97 GLN NE2 N 15 111.784 0.200 . 1 . . . . . . . . 4706 1 1036 . 1 1 98 98 GLY H H 1 8.727 0.020 . 1 . . . . . . . . 4706 1 1037 . 1 1 98 98 GLY HA3 H 1 4.497 0.020 . 2 . . . . . . . . 4706 1 1038 . 1 1 98 98 GLY HA2 H 1 3.778 0.020 . 2 . . . . . . . . 4706 1 1039 . 1 1 98 98 GLY CA C 13 47.098 0.300 . 1 . . . . . . . . 4706 1 1040 . 1 1 98 98 GLY N N 15 114.739 0.200 . 1 . . . . . . . . 4706 1 1041 . 1 1 99 99 SER H H 1 8.427 0.020 . 1 . . . . . . . . 4706 1 1042 . 1 1 99 99 SER HA H 1 4.394 0.020 . 1 . . . . . . . . 4706 1 1043 . 1 1 99 99 SER HB2 H 1 3.598 0.020 . 1 . . . . . . . . 4706 1 1044 . 1 1 99 99 SER HB3 H 1 3.748 0.020 . 1 . . . . . . . . 4706 1 1045 . 1 1 99 99 SER CA C 13 55.750 0.300 . 1 . . . . . . . . 4706 1 1046 . 1 1 99 99 SER CB C 13 63.251 0.300 . 1 . . . . . . . . 4706 1 1047 . 1 1 99 99 SER N N 15 116.427 0.200 . 1 . . . . . . . . 4706 1 1048 . 1 1 100 100 ALA H H 1 9.370 0.020 . 1 . . . . . . . . 4706 1 1049 . 1 1 100 100 ALA HA H 1 4.886 0.020 . 1 . . . . . . . . 4706 1 1050 . 1 1 100 100 ALA HB1 H 1 1.527 0.020 . 1 . . . . . . . . 4706 1 1051 . 1 1 100 100 ALA HB2 H 1 1.527 0.020 . 1 . . . . . . . . 4706 1 1052 . 1 1 100 100 ALA HB3 H 1 1.527 0.020 . 1 . . . . . . . . 4706 1 1053 . 1 1 100 100 ALA CA C 13 49.250 0.300 . 1 . . . . . . . . 4706 1 1054 . 1 1 100 100 ALA CB C 13 18.421 0.300 . 1 . . . . . . . . 4706 1 1055 . 1 1 100 100 ALA N N 15 132.606 0.200 . 1 . . . . . . . . 4706 1 1056 . 1 1 101 101 PRO HA H 1 4.157 0.020 . 1 . . . . . . . . 4706 1 1057 . 1 1 101 101 PRO HB2 H 1 1.966 0.020 . 2 . . . . . . . . 4706 1 1058 . 1 1 101 101 PRO HB3 H 1 2.102 0.020 . 2 . . . . . . . . 4706 1 1059 . 1 1 101 101 PRO HG2 H 1 2.217 0.020 . 2 . . . . . . . . 4706 1 1060 . 1 1 101 101 PRO HG3 H 1 2.034 0.020 . 2 . . . . . . . . 4706 1 1061 . 1 1 101 101 PRO HD2 H 1 3.677 0.020 . 2 . . . . . . . . 4706 1 1062 . 1 1 101 101 PRO HD3 H 1 4.239 0.020 . 2 . . . . . . . . 4706 1 1063 . 1 1 101 101 PRO CA C 13 63.648 0.300 . 1 . . . . . . . . 4706 1 1064 . 1 1 101 101 PRO CB C 13 32.094 0.300 . 1 . . . . . . . . 4706 1 1065 . 1 1 101 101 PRO CG C 13 27.758 0.300 . 1 . . . . . . . . 4706 1 1066 . 1 1 101 101 PRO CD C 13 50.903 0.300 . 1 . . . . . . . . 4706 1 1067 . 1 1 102 102 LEU H H 1 7.642 0.020 . 1 . . . . . . . . 4706 1 1068 . 1 1 102 102 LEU HA H 1 4.818 0.020 . 1 . . . . . . . . 4706 1 1069 . 1 1 102 102 LEU HB2 H 1 2.475 0.020 . 1 . . . . . . . . 4706 1 1070 . 1 1 102 102 LEU HB3 H 1 1.302 0.020 . 1 . . . . . . . . 4706 1 1071 . 1 1 102 102 LEU HG H 1 2.101 0.020 . 1 . . . . . . . . 4706 1 1072 . 1 1 102 102 LEU HD11 H 1 1.187 0.020 . 1 . . . . . . . . 4706 1 1073 . 1 1 102 102 LEU HD12 H 1 1.187 0.020 . 1 . . . . . . . . 4706 1 1074 . 1 1 102 102 LEU HD13 H 1 1.187 0.020 . 1 . . . . . . . . 4706 1 1075 . 1 1 102 102 LEU HD21 H 1 1.060 0.020 . 1 . . . . . . . . 4706 1 1076 . 1 1 102 102 LEU HD22 H 1 1.060 0.020 . 1 . . . . . . . . 4706 1 1077 . 1 1 102 102 LEU HD23 H 1 1.060 0.020 . 1 . . . . . . . . 4706 1 1078 . 1 1 102 102 LEU CA C 13 53.846 0.300 . 1 . . . . . . . . 4706 1 1079 . 1 1 102 102 LEU CB C 13 45.590 0.300 . 1 . . . . . . . . 4706 1 1080 . 1 1 102 102 LEU CG C 13 27.298 0.300 . 1 . . . . . . . . 4706 1 1081 . 1 1 102 102 LEU CD2 C 13 23.644 0.300 . 1 . . . . . . . . 4706 1 1082 . 1 1 102 102 LEU CD1 C 13 28.656 0.300 . 1 . . . . . . . . 4706 1 1083 . 1 1 102 102 LEU N N 15 125.238 0.200 . 1 . . . . . . . . 4706 1 1084 . 1 1 103 103 THR H H 1 8.851 0.020 . 1 . . . . . . . . 4706 1 1085 . 1 1 103 103 THR HA H 1 5.043 0.020 . 1 . . . . . . . . 4706 1 1086 . 1 1 103 103 THR HB H 1 4.453 0.020 . 1 . . . . . . . . 4706 1 1087 . 1 1 103 103 THR HG21 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1088 . 1 1 103 103 THR HG22 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1089 . 1 1 103 103 THR HG23 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1090 . 1 1 103 103 THR CA C 13 59.398 0.300 . 1 . . . . . . . . 4706 1 1091 . 1 1 103 103 THR CB C 13 71.176 0.300 . 1 . . . . . . . . 4706 1 1092 . 1 1 103 103 THR CG2 C 13 21.478 0.300 . 1 . . . . . . . . 4706 1 1093 . 1 1 103 103 THR N N 15 115.446 0.200 . 1 . . . . . . . . 4706 1 1094 . 1 1 104 104 GLY H H 1 8.041 0.020 . 1 . . . . . . . . 4706 1 1095 . 1 1 104 104 GLY HA2 H 1 3.808 0.020 . 1 . . . . . . . . 4706 1 1096 . 1 1 104 104 GLY HA3 H 1 3.808 0.020 . 1 . . . . . . . . 4706 1 1097 . 1 1 104 104 GLY CA C 13 47.356 0.300 . 1 . . . . . . . . 4706 1 1098 . 1 1 104 104 GLY N N 15 108.461 0.200 . 1 . . . . . . . . 4706 1 1099 . 1 1 105 105 GLU H H 1 7.642 0.020 . 1 . . . . . . . . 4706 1 1100 . 1 1 105 105 GLU HA H 1 4.742 0.020 . 1 . . . . . . . . 4706 1 1101 . 1 1 105 105 GLU HB2 H 1 1.880 0.020 . 2 . . . . . . . . 4706 1 1102 . 1 1 105 105 GLU HB3 H 1 1.814 0.020 . 2 . . . . . . . . 4706 1 1103 . 1 1 105 105 GLU HG2 H 1 2.206 0.020 . 1 . . . . . . . . 4706 1 1104 . 1 1 105 105 GLU HG3 H 1 2.206 0.020 . 1 . . . . . . . . 4706 1 1105 . 1 1 105 105 GLU CA C 13 52.567 0.300 . 1 . . . . . . . . 4706 1 1106 . 1 1 105 105 GLU CB C 13 30.550 0.300 . 1 . . . . . . . . 4706 1 1107 . 1 1 105 105 GLU CG C 13 35.753 0.300 . 1 . . . . . . . . 4706 1 1108 . 1 1 105 105 GLU N N 15 122.468 0.200 . 1 . . . . . . . . 4706 1 1109 . 1 1 106 106 PRO HA H 1 4.101 0.020 . 1 . . . . . . . . 4706 1 1110 . 1 1 106 106 PRO HB2 H 1 1.977 0.020 . 2 . . . . . . . . 4706 1 1111 . 1 1 106 106 PRO HB3 H 1 1.678 0.020 . 2 . . . . . . . . 4706 1 1112 . 1 1 106 106 PRO HG2 H 1 1.708 0.020 . 2 . . . . . . . . 4706 1 1113 . 1 1 106 106 PRO HG3 H 1 1.977 0.020 . 2 . . . . . . . . 4706 1 1114 . 1 1 106 106 PRO HD2 H 1 3.876 0.020 . 2 . . . . . . . . 4706 1 1115 . 1 1 106 106 PRO HD3 H 1 3.602 0.020 . 2 . . . . . . . . 4706 1 1116 . 1 1 106 106 PRO CA C 13 63.029 0.300 . 1 . . . . . . . . 4706 1 1117 . 1 1 106 106 PRO CB C 13 31.713 0.300 . 1 . . . . . . . . 4706 1 1118 . 1 1 106 106 PRO CG C 13 27.794 0.300 . 1 . . . . . . . . 4706 1 1119 . 1 1 106 106 PRO CD C 13 50.549 0.300 . 1 . . . . . . . . 4706 1 1120 . 1 1 107 107 ALA H H 1 7.868 0.020 . 1 . . . . . . . . 4706 1 1121 . 1 1 107 107 ALA HA H 1 4.611 0.020 . 1 . . . . . . . . 4706 1 1122 . 1 1 107 107 ALA HB1 H 1 1.383 0.020 . 1 . . . . . . . . 4706 1 1123 . 1 1 107 107 ALA HB2 H 1 1.383 0.020 . 1 . . . . . . . . 4706 1 1124 . 1 1 107 107 ALA HB3 H 1 1.383 0.020 . 1 . . . . . . . . 4706 1 1125 . 1 1 107 107 ALA CA C 13 50.811 0.300 . 1 . . . . . . . . 4706 1 1126 . 1 1 107 107 ALA CB C 13 22.486 0.300 . 1 . . . . . . . . 4706 1 1127 . 1 1 107 107 ALA N N 15 125.818 0.200 . 1 . . . . . . . . 4706 1 1128 . 1 1 108 108 THR H H 1 8.609 0.020 . 1 . . . . . . . . 4706 1 1129 . 1 1 108 108 THR HA H 1 5.006 0.020 . 1 . . . . . . . . 4706 1 1130 . 1 1 108 108 THR HB H 1 3.740 0.020 . 1 . . . . . . . . 4706 1 1131 . 1 1 108 108 THR HG21 H 1 0.948 0.020 . 1 . . . . . . . . 4706 1 1132 . 1 1 108 108 THR HG22 H 1 0.948 0.020 . 1 . . . . . . . . 4706 1 1133 . 1 1 108 108 THR HG23 H 1 0.948 0.020 . 1 . . . . . . . . 4706 1 1134 . 1 1 108 108 THR CA C 13 61.678 0.300 . 1 . . . . . . . . 4706 1 1135 . 1 1 108 108 THR CB C 13 69.371 0.300 . 1 . . . . . . . . 4706 1 1136 . 1 1 108 108 THR CG2 C 13 22.019 0.300 . 1 . . . . . . . . 4706 1 1137 . 1 1 108 108 THR N N 15 120.732 0.200 . 1 . . . . . . . . 4706 1 1138 . 1 1 109 109 ARG H H 1 8.611 0.020 . 1 . . . . . . . . 4706 1 1139 . 1 1 109 109 ARG HA H 1 4.311 0.020 . 1 . . . . . . . . 4706 1 1140 . 1 1 109 109 ARG HB2 H 1 0.780 0.020 . 2 . . . . . . . . 4706 1 1141 . 1 1 109 109 ARG HB3 H 1 1.303 0.020 . 2 . . . . . . . . 4706 1 1142 . 1 1 109 109 ARG HG2 H 1 1.376 0.020 . 2 . . . . . . . . 4706 1 1143 . 1 1 109 109 ARG HG3 H 1 1.303 0.020 . 2 . . . . . . . . 4706 1 1144 . 1 1 109 109 ARG HD2 H 1 3.140 0.020 . 1 . . . . . . . . 4706 1 1145 . 1 1 109 109 ARG HD3 H 1 3.140 0.020 . 1 . . . . . . . . 4706 1 1146 . 1 1 109 109 ARG HE H 1 7.196 0.020 . 1 . . . . . . . . 4706 1 1147 . 1 1 109 109 ARG CA C 13 53.641 0.300 . 1 . . . . . . . . 4706 1 1148 . 1 1 109 109 ARG CB C 13 31.885 0.300 . 1 . . . . . . . . 4706 1 1149 . 1 1 109 109 ARG CG C 13 27.401 0.300 . 1 . . . . . . . . 4706 1 1150 . 1 1 109 109 ARG CD C 13 42.750 0.300 . 1 . . . . . . . . 4706 1 1151 . 1 1 109 109 ARG N N 15 130.113 0.200 . 1 . . . . . . . . 4706 1 1152 . 1 1 109 109 ARG NE N 15 86.303 0.200 . 1 . . . . . . . . 4706 1 1153 . 1 1 110 110 GLU H H 1 7.562 0.020 . 1 . . . . . . . . 4706 1 1154 . 1 1 110 110 GLU HA H 1 5.078 0.020 . 1 . . . . . . . . 4706 1 1155 . 1 1 110 110 GLU HB2 H 1 1.646 0.020 . 1 . . . . . . . . 4706 1 1156 . 1 1 110 110 GLU HB3 H 1 1.646 0.020 . 1 . . . . . . . . 4706 1 1157 . 1 1 110 110 GLU HG2 H 1 1.881 0.020 . 1 . . . . . . . . 4706 1 1158 . 1 1 110 110 GLU HG3 H 1 1.881 0.020 . 1 . . . . . . . . 4706 1 1159 . 1 1 110 110 GLU CA C 13 54.426 0.300 . 1 . . . . . . . . 4706 1 1160 . 1 1 110 110 GLU CB C 13 33.216 0.300 . 1 . . . . . . . . 4706 1 1161 . 1 1 110 110 GLU CG C 13 36.425 0.300 . 1 . . . . . . . . 4706 1 1162 . 1 1 110 110 GLU N N 15 120.952 0.200 . 1 . . . . . . . . 4706 1 1163 . 1 1 111 111 TYR H H 1 9.421 0.020 . 1 . . . . . . . . 4706 1 1164 . 1 1 111 111 TYR HA H 1 4.762 0.020 . 1 . . . . . . . . 4706 1 1165 . 1 1 111 111 TYR HB2 H 1 2.427 0.020 . 1 . . . . . . . . 4706 1 1166 . 1 1 111 111 TYR HB3 H 1 2.910 0.020 . 1 . . . . . . . . 4706 1 1167 . 1 1 111 111 TYR HD1 H 1 7.233 0.020 . 1 . . . . . . . . 4706 1 1168 . 1 1 111 111 TYR HD2 H 1 7.233 0.020 . 1 . . . . . . . . 4706 1 1169 . 1 1 111 111 TYR HE1 H 1 6.899 0.020 . 1 . . . . . . . . 4706 1 1170 . 1 1 111 111 TYR HE2 H 1 6.899 0.020 . 1 . . . . . . . . 4706 1 1171 . 1 1 111 111 TYR CA C 13 56.794 0.300 . 1 . . . . . . . . 4706 1 1172 . 1 1 111 111 TYR CB C 13 42.603 0.300 . 1 . . . . . . . . 4706 1 1173 . 1 1 111 111 TYR CD2 C 13 132.513 0.300 . 1 . . . . . . . . 4706 1 1174 . 1 1 111 111 TYR CD1 C 13 132.513 0.300 . 1 . . . . . . . . 4706 1 1175 . 1 1 111 111 TYR CE2 C 13 116.937 0.300 . 1 . . . . . . . . 4706 1 1176 . 1 1 111 111 TYR CE1 C 13 116.937 0.300 . 1 . . . . . . . . 4706 1 1177 . 1 1 111 111 TYR N N 15 124.930 0.200 . 1 . . . . . . . . 4706 1 1178 . 1 1 112 112 ALA H H 1 8.566 0.020 . 1 . . . . . . . . 4706 1 1179 . 1 1 112 112 ALA HA H 1 5.405 0.020 . 1 . . . . . . . . 4706 1 1180 . 1 1 112 112 ALA HB1 H 1 1.401 0.020 . 1 . . . . . . . . 4706 1 1181 . 1 1 112 112 ALA HB2 H 1 1.401 0.020 . 1 . . . . . . . . 4706 1 1182 . 1 1 112 112 ALA HB3 H 1 1.401 0.020 . 1 . . . . . . . . 4706 1 1183 . 1 1 112 112 ALA CA C 13 50.329 0.300 . 1 . . . . . . . . 4706 1 1184 . 1 1 112 112 ALA CB C 13 21.005 0.300 . 1 . . . . . . . . 4706 1 1185 . 1 1 112 112 ALA N N 15 128.419 0.200 . 1 . . . . . . . . 4706 1 1186 . 1 1 113 113 PHE H H 1 8.547 0.020 . 1 . . . . . . . . 4706 1 1187 . 1 1 113 113 PHE HA H 1 5.072 0.020 . 1 . . . . . . . . 4706 1 1188 . 1 1 113 113 PHE HB2 H 1 3.273 0.020 . 1 . . . . . . . . 4706 1 1189 . 1 1 113 113 PHE HB3 H 1 3.045 0.020 . 1 . . . . . . . . 4706 1 1190 . 1 1 113 113 PHE CA C 13 56.434 0.300 . 1 . . . . . . . . 4706 1 1191 . 1 1 113 113 PHE CB C 13 41.482 0.300 . 1 . . . . . . . . 4706 1 1192 . 1 1 113 113 PHE N N 15 119.004 0.200 . 1 . . . . . . . . 4706 1 1193 . 1 1 114 114 THR H H 1 8.877 0.020 . 1 . . . . . . . . 4706 1 1194 . 1 1 114 114 THR HA H 1 5.094 0.020 . 1 . . . . . . . . 4706 1 1195 . 1 1 114 114 THR HB H 1 3.884 0.020 . 1 . . . . . . . . 4706 1 1196 . 1 1 114 114 THR HG21 H 1 1.007 0.020 . 1 . . . . . . . . 4706 1 1197 . 1 1 114 114 THR HG22 H 1 1.007 0.020 . 1 . . . . . . . . 4706 1 1198 . 1 1 114 114 THR HG23 H 1 1.007 0.020 . 1 . . . . . . . . 4706 1 1199 . 1 1 114 114 THR CA C 13 60.961 0.300 . 1 . . . . . . . . 4706 1 1200 . 1 1 114 114 THR CB C 13 70.636 0.300 . 1 . . . . . . . . 4706 1 1201 . 1 1 114 114 THR CG2 C 13 21.123 0.300 . 1 . . . . . . . . 4706 1 1202 . 1 1 114 114 THR N N 15 119.776 0.200 . 1 . . . . . . . . 4706 1 1203 . 1 1 115 115 SER H H 1 8.821 0.020 . 1 . . . . . . . . 4706 1 1204 . 1 1 115 115 SER HA H 1 4.635 0.020 . 1 . . . . . . . . 4706 1 1205 . 1 1 115 115 SER HB2 H 1 3.721 0.020 . 1 . . . . . . . . 4706 1 1206 . 1 1 115 115 SER HB3 H 1 3.721 0.020 . 1 . . . . . . . . 4706 1 1207 . 1 1 115 115 SER CA C 13 58.128 0.300 . 1 . . . . . . . . 4706 1 1208 . 1 1 115 115 SER CB C 13 64.007 0.300 . 1 . . . . . . . . 4706 1 1209 . 1 1 115 115 SER N N 15 120.484 0.200 . 1 . . . . . . . . 4706 1 1210 . 1 1 116 116 ASN H H 1 9.314 0.020 . 1 . . . . . . . . 4706 1 1211 . 1 1 116 116 ASN HA H 1 5.033 0.020 . 1 . . . . . . . . 4706 1 1212 . 1 1 116 116 ASN HB2 H 1 2.845 0.020 . 2 . . . . . . . . 4706 1 1213 . 1 1 116 116 ASN HB3 H 1 2.943 0.020 . 2 . . . . . . . . 4706 1 1214 . 1 1 116 116 ASN HD21 H 1 7.482 0.020 . 1 . . . . . . . . 4706 1 1215 . 1 1 116 116 ASN HD22 H 1 6.791 0.020 . 1 . . . . . . . . 4706 1 1216 . 1 1 116 116 ASN CA C 13 53.194 0.300 . 1 . . . . . . . . 4706 1 1217 . 1 1 116 116 ASN CB C 13 39.072 0.300 . 1 . . . . . . . . 4706 1 1218 . 1 1 116 116 ASN N N 15 128.033 0.200 . 1 . . . . . . . . 4706 1 1219 . 1 1 116 116 ASN ND2 N 15 112.667 0.200 . 1 . . . . . . . . 4706 1 1220 . 1 1 117 117 LEU H H 1 8.102 0.020 . 1 . . . . . . . . 4706 1 1221 . 1 1 117 117 LEU HA H 1 4.539 0.020 . 1 . . . . . . . . 4706 1 1222 . 1 1 117 117 LEU HB2 H 1 1.373 0.020 . 1 . . . . . . . . 4706 1 1223 . 1 1 117 117 LEU HB3 H 1 1.373 0.020 . 1 . . . . . . . . 4706 1 1224 . 1 1 117 117 LEU HG H 1 1.373 0.020 . 1 . . . . . . . . 4706 1 1225 . 1 1 117 117 LEU HD11 H 1 0.793 0.020 . 1 . . . . . . . . 4706 1 1226 . 1 1 117 117 LEU HD12 H 1 0.793 0.020 . 1 . . . . . . . . 4706 1 1227 . 1 1 117 117 LEU HD13 H 1 0.793 0.020 . 1 . . . . . . . . 4706 1 1228 . 1 1 117 117 LEU HD21 H 1 0.854 0.020 . 1 . . . . . . . . 4706 1 1229 . 1 1 117 117 LEU HD22 H 1 0.854 0.020 . 1 . . . . . . . . 4706 1 1230 . 1 1 117 117 LEU HD23 H 1 0.854 0.020 . 1 . . . . . . . . 4706 1 1231 . 1 1 117 117 LEU CA C 13 54.043 0.300 . 1 . . . . . . . . 4706 1 1232 . 1 1 117 117 LEU CB C 13 47.690 0.300 . 1 . . . . . . . . 4706 1 1233 . 1 1 117 117 LEU CG C 13 27.311 0.300 . 1 . . . . . . . . 4706 1 1234 . 1 1 117 117 LEU CD2 C 13 24.014 0.300 . 1 . . . . . . . . 4706 1 1235 . 1 1 117 117 LEU CD1 C 13 27.311 0.300 . 1 . . . . . . . . 4706 1 1236 . 1 1 117 117 LEU N N 15 121.100 0.200 . 1 . . . . . . . . 4706 1 1237 . 1 1 118 118 THR H H 1 7.865 0.020 . 1 . . . . . . . . 4706 1 1238 . 1 1 118 118 THR HA H 1 4.810 0.020 . 1 . . . . . . . . 4706 1 1239 . 1 1 118 118 THR HB H 1 3.887 0.020 . 1 . . . . . . . . 4706 1 1240 . 1 1 118 118 THR HG21 H 1 1.227 0.020 . 1 . . . . . . . . 4706 1 1241 . 1 1 118 118 THR HG22 H 1 1.227 0.020 . 1 . . . . . . . . 4706 1 1242 . 1 1 118 118 THR HG23 H 1 1.227 0.020 . 1 . . . . . . . . 4706 1 1243 . 1 1 118 118 THR CA C 13 59.897 0.300 . 1 . . . . . . . . 4706 1 1244 . 1 1 118 118 THR CB C 13 70.478 0.300 . 1 . . . . . . . . 4706 1 1245 . 1 1 118 118 THR CG2 C 13 22.163 0.300 . 1 . . . . . . . . 4706 1 1246 . 1 1 118 118 THR N N 15 118.855 0.200 . 1 . . . . . . . . 4706 1 1247 . 1 1 119 119 PHE H H 1 9.286 0.020 . 1 . . . . . . . . 4706 1 1248 . 1 1 119 119 PHE HA H 1 5.627 0.020 . 1 . . . . . . . . 4706 1 1249 . 1 1 119 119 PHE HB2 H 1 2.601 0.020 . 1 . . . . . . . . 4706 1 1250 . 1 1 119 119 PHE HB3 H 1 3.276 0.020 . 1 . . . . . . . . 4706 1 1251 . 1 1 119 119 PHE HD1 H 1 7.059 0.020 . 1 . . . . . . . . 4706 1 1252 . 1 1 119 119 PHE HD2 H 1 7.059 0.020 . 1 . . . . . . . . 4706 1 1253 . 1 1 119 119 PHE HE1 H 1 6.805 0.020 . 1 . . . . . . . . 4706 1 1254 . 1 1 119 119 PHE HE2 H 1 6.805 0.020 . 1 . . . . . . . . 4706 1 1255 . 1 1 119 119 PHE CA C 13 51.519 0.300 . 1 . . . . . . . . 4706 1 1256 . 1 1 119 119 PHE CB C 13 40.570 0.300 . 1 . . . . . . . . 4706 1 1257 . 1 1 119 119 PHE CD2 C 13 130.744 0.300 . 1 . . . . . . . . 4706 1 1258 . 1 1 119 119 PHE CD1 C 13 130.744 0.300 . 1 . . . . . . . . 4706 1 1259 . 1 1 119 119 PHE CE2 C 13 128.506 0.300 . 1 . . . . . . . . 4706 1 1260 . 1 1 119 119 PHE CE1 C 13 128.506 0.300 . 1 . . . . . . . . 4706 1 1261 . 1 1 119 119 PHE N N 15 126.984 0.200 . 1 . . . . . . . . 4706 1 1262 . 1 1 120 120 PRO HA H 1 4.922 0.020 . 1 . . . . . . . . 4706 1 1263 . 1 1 120 120 PRO HB2 H 1 2.389 0.020 . 2 . . . . . . . . 4706 1 1264 . 1 1 120 120 PRO HB3 H 1 2.224 0.020 . 2 . . . . . . . . 4706 1 1265 . 1 1 120 120 PRO HG2 H 1 2.101 0.020 . 2 . . . . . . . . 4706 1 1266 . 1 1 120 120 PRO HG3 H 1 2.224 0.020 . 2 . . . . . . . . 4706 1 1267 . 1 1 120 120 PRO HD2 H 1 3.987 0.020 . 2 . . . . . . . . 4706 1 1268 . 1 1 120 120 PRO HD3 H 1 3.886 0.020 . 2 . . . . . . . . 4706 1 1269 . 1 1 120 120 PRO CA C 13 60.770 0.300 . 1 . . . . . . . . 4706 1 1270 . 1 1 120 120 PRO CB C 13 31.605 0.300 . 1 . . . . . . . . 4706 1 1271 . 1 1 120 120 PRO CG C 13 27.109 0.300 . 1 . . . . . . . . 4706 1 1272 . 1 1 120 120 PRO CD C 13 50.780 0.300 . 1 . . . . . . . . 4706 1 1273 . 1 1 121 121 PRO HA H 1 4.167 0.020 . 1 . . . . . . . . 4706 1 1274 . 1 1 121 121 PRO HB2 H 1 1.620 0.020 . 2 . . . . . . . . 4706 1 1275 . 1 1 121 121 PRO HB3 H 1 2.068 0.020 . 2 . . . . . . . . 4706 1 1276 . 1 1 121 121 PRO HG2 H 1 1.849 0.020 . 2 . . . . . . . . 4706 1 1277 . 1 1 121 121 PRO HG3 H 1 2.068 0.020 . 2 . . . . . . . . 4706 1 1278 . 1 1 121 121 PRO HD2 H 1 3.562 0.020 . 2 . . . . . . . . 4706 1 1279 . 1 1 121 121 PRO HD3 H 1 3.788 0.020 . 2 . . . . . . . . 4706 1 1280 . 1 1 121 121 PRO CA C 13 63.148 0.300 . 1 . . . . . . . . 4706 1 1281 . 1 1 121 121 PRO CB C 13 31.786 0.300 . 1 . . . . . . . . 4706 1 1282 . 1 1 121 121 PRO CG C 13 26.792 0.300 . 1 . . . . . . . . 4706 1 1283 . 1 1 121 121 PRO CD C 13 49.212 0.300 . 1 . . . . . . . . 4706 1 1284 . 1 1 122 122 ASP H H 1 7.425 0.020 . 1 . . . . . . . . 4706 1 1285 . 1 1 122 122 ASP HA H 1 4.570 0.020 . 1 . . . . . . . . 4706 1 1286 . 1 1 122 122 ASP HB2 H 1 2.569 0.020 . 2 . . . . . . . . 4706 1 1287 . 1 1 122 122 ASP HB3 H 1 2.779 0.020 . 2 . . . . . . . . 4706 1 1288 . 1 1 122 122 ASP CA C 13 51.811 0.300 . 1 . . . . . . . . 4706 1 1289 . 1 1 122 122 ASP CB C 13 42.461 0.300 . 1 . . . . . . . . 4706 1 1290 . 1 1 122 122 ASP N N 15 120.898 0.200 . 1 . . . . . . . . 4706 1 1291 . 1 1 123 123 GLY H H 1 7.950 0.020 . 1 . . . . . . . . 4706 1 1292 . 1 1 123 123 GLY HA3 H 1 4.120 0.020 . 2 . . . . . . . . 4706 1 1293 . 1 1 123 123 GLY HA2 H 1 3.644 0.020 . 2 . . . . . . . . 4706 1 1294 . 1 1 123 123 GLY CA C 13 44.721 0.300 . 1 . . . . . . . . 4706 1 1295 . 1 1 123 123 GLY N N 15 105.792 0.200 . 1 . . . . . . . . 4706 1 1296 . 1 1 124 124 ASP H H 1 8.130 0.020 . 1 . . . . . . . . 4706 1 1297 . 1 1 124 124 ASP HA H 1 4.292 0.020 . 1 . . . . . . . . 4706 1 1298 . 1 1 124 124 ASP HB2 H 1 2.544 0.020 . 2 . . . . . . . . 4706 1 1299 . 1 1 124 124 ASP HB3 H 1 2.464 0.020 . 2 . . . . . . . . 4706 1 1300 . 1 1 124 124 ASP CA C 13 55.268 0.300 . 1 . . . . . . . . 4706 1 1301 . 1 1 124 124 ASP CB C 13 41.038 0.300 . 1 . . . . . . . . 4706 1 1302 . 1 1 124 124 ASP N N 15 119.430 0.200 . 1 . . . . . . . . 4706 1 1303 . 1 1 125 125 ALA H H 1 8.625 0.020 . 1 . . . . . . . . 4706 1 1304 . 1 1 125 125 ALA HA H 1 4.063 0.020 . 1 . . . . . . . . 4706 1 1305 . 1 1 125 125 ALA HB1 H 1 0.725 0.020 . 1 . . . . . . . . 4706 1 1306 . 1 1 125 125 ALA HB2 H 1 0.725 0.020 . 1 . . . . . . . . 4706 1 1307 . 1 1 125 125 ALA HB3 H 1 0.725 0.020 . 1 . . . . . . . . 4706 1 1308 . 1 1 125 125 ALA CA C 13 49.394 0.300 . 1 . . . . . . . . 4706 1 1309 . 1 1 125 125 ALA CB C 13 18.227 0.300 . 1 . . . . . . . . 4706 1 1310 . 1 1 125 125 ALA N N 15 125.382 0.200 . 1 . . . . . . . . 4706 1 1311 . 1 1 126 126 PRO HA H 1 4.542 0.020 . 1 . . . . . . . . 4706 1 1312 . 1 1 126 126 PRO HB2 H 1 1.495 0.020 . 1 . . . . . . . . 4706 1 1313 . 1 1 126 126 PRO HB3 H 1 1.495 0.020 . 1 . . . . . . . . 4706 1 1314 . 1 1 126 126 PRO HG2 H 1 1.668 0.020 . 1 . . . . . . . . 4706 1 1315 . 1 1 126 126 PRO HG3 H 1 1.668 0.020 . 1 . . . . . . . . 4706 1 1316 . 1 1 126 126 PRO HD2 H 1 2.940 0.020 . 2 . . . . . . . . 4706 1 1317 . 1 1 126 126 PRO HD3 H 1 3.180 0.020 . 2 . . . . . . . . 4706 1 1318 . 1 1 126 126 PRO CA C 13 61.645 0.300 . 1 . . . . . . . . 4706 1 1319 . 1 1 126 126 PRO CB C 13 32.854 0.300 . 1 . . . . . . . . 4706 1 1320 . 1 1 126 126 PRO CG C 13 26.473 0.300 . 1 . . . . . . . . 4706 1 1321 . 1 1 126 126 PRO CD C 13 49.376 0.300 . 1 . . . . . . . . 4706 1 1322 . 1 1 127 127 GLY H H 1 8.668 0.020 . 1 . . . . . . . . 4706 1 1323 . 1 1 127 127 GLY HA3 H 1 4.467 0.020 . 2 . . . . . . . . 4706 1 1324 . 1 1 127 127 GLY HA2 H 1 3.765 0.020 . 2 . . . . . . . . 4706 1 1325 . 1 1 127 127 GLY CA C 13 46.161 0.300 . 1 . . . . . . . . 4706 1 1326 . 1 1 127 127 GLY N N 15 108.699 0.200 . 1 . . . . . . . . 4706 1 1327 . 1 1 128 128 GLN H H 1 9.531 0.020 . 1 . . . . . . . . 4706 1 1328 . 1 1 128 128 GLN HA H 1 5.632 0.020 . 1 . . . . . . . . 4706 1 1329 . 1 1 128 128 GLN HB2 H 1 1.702 0.020 . 2 . . . . . . . . 4706 1 1330 . 1 1 128 128 GLN HB3 H 1 1.893 0.020 . 2 . . . . . . . . 4706 1 1331 . 1 1 128 128 GLN HG2 H 1 1.846 0.020 . 1 . . . . . . . . 4706 1 1332 . 1 1 128 128 GLN HG3 H 1 1.846 0.020 . 1 . . . . . . . . 4706 1 1333 . 1 1 128 128 GLN HE21 H 1 6.889 0.020 . 1 . . . . . . . . 4706 1 1334 . 1 1 128 128 GLN HE22 H 1 8.232 0.020 . 1 . . . . . . . . 4706 1 1335 . 1 1 128 128 GLN CA C 13 53.766 0.300 . 1 . . . . . . . . 4706 1 1336 . 1 1 128 128 GLN CB C 13 32.680 0.300 . 1 . . . . . . . . 4706 1 1337 . 1 1 128 128 GLN CG C 13 34.213 0.300 . 1 . . . . . . . . 4706 1 1338 . 1 1 128 128 GLN N N 15 126.203 0.200 . 1 . . . . . . . . 4706 1 1339 . 1 1 128 128 GLN NE2 N 15 115.897 0.200 . 1 . . . . . . . . 4706 1 1340 . 1 1 129 129 VAL H H 1 8.271 0.020 . 1 . . . . . . . . 4706 1 1341 . 1 1 129 129 VAL HA H 1 4.665 0.020 . 1 . . . . . . . . 4706 1 1342 . 1 1 129 129 VAL HB H 1 2.060 0.020 . 1 . . . . . . . . 4706 1 1343 . 1 1 129 129 VAL HG11 H 1 1.169 0.020 . 2 . . . . . . . . 4706 1 1344 . 1 1 129 129 VAL HG12 H 1 1.169 0.020 . 2 . . . . . . . . 4706 1 1345 . 1 1 129 129 VAL HG13 H 1 1.169 0.020 . 2 . . . . . . . . 4706 1 1346 . 1 1 129 129 VAL HG21 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 1347 . 1 1 129 129 VAL HG22 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 1348 . 1 1 129 129 VAL HG23 H 1 1.087 0.020 . 2 . . . . . . . . 4706 1 1349 . 1 1 129 129 VAL CA C 13 60.920 0.300 . 1 . . . . . . . . 4706 1 1350 . 1 1 129 129 VAL CB C 13 33.782 0.300 . 1 . . . . . . . . 4706 1 1351 . 1 1 129 129 VAL CG2 C 13 21.952 0.300 . 2 . . . . . . . . 4706 1 1352 . 1 1 129 129 VAL CG1 C 13 23.624 0.300 . 2 . . . . . . . . 4706 1 1353 . 1 1 129 129 VAL N N 15 123.760 0.200 . 1 . . . . . . . . 4706 1 1354 . 1 1 130 130 ALA H H 1 8.732 0.020 . 1 . . . . . . . . 4706 1 1355 . 1 1 130 130 ALA HA H 1 5.468 0.020 . 1 . . . . . . . . 4706 1 1356 . 1 1 130 130 ALA HB1 H 1 0.858 0.020 . 1 . . . . . . . . 4706 1 1357 . 1 1 130 130 ALA HB2 H 1 0.858 0.020 . 1 . . . . . . . . 4706 1 1358 . 1 1 130 130 ALA HB3 H 1 0.858 0.020 . 1 . . . . . . . . 4706 1 1359 . 1 1 130 130 ALA CA C 13 50.853 0.300 . 1 . . . . . . . . 4706 1 1360 . 1 1 130 130 ALA CB C 13 23.300 0.300 . 1 . . . . . . . . 4706 1 1361 . 1 1 130 130 ALA N N 15 128.793 0.200 . 1 . . . . . . . . 4706 1 1362 . 1 1 131 131 PHE H H 1 8.943 0.020 . 1 . . . . . . . . 4706 1 1363 . 1 1 131 131 PHE HA H 1 4.782 0.020 . 1 . . . . . . . . 4706 1 1364 . 1 1 131 131 PHE HB2 H 1 3.039 0.020 . 1 . . . . . . . . 4706 1 1365 . 1 1 131 131 PHE HB3 H 1 2.277 0.020 . 1 . . . . . . . . 4706 1 1366 . 1 1 131 131 PHE HD1 H 1 6.950 0.020 . 1 . . . . . . . . 4706 1 1367 . 1 1 131 131 PHE HD2 H 1 6.950 0.020 . 1 . . . . . . . . 4706 1 1368 . 1 1 131 131 PHE HE1 H 1 6.197 0.020 . 1 . . . . . . . . 4706 1 1369 . 1 1 131 131 PHE HE2 H 1 6.197 0.020 . 1 . . . . . . . . 4706 1 1370 . 1 1 131 131 PHE CA C 13 56.057 0.300 . 1 . . . . . . . . 4706 1 1371 . 1 1 131 131 PHE CB C 13 39.909 0.300 . 1 . . . . . . . . 4706 1 1372 . 1 1 131 131 PHE CD2 C 13 130.410 0.300 . 1 . . . . . . . . 4706 1 1373 . 1 1 131 131 PHE CD1 C 13 130.410 0.300 . 1 . . . . . . . . 4706 1 1374 . 1 1 131 131 PHE CE2 C 13 128.980 0.300 . 1 . . . . . . . . 4706 1 1375 . 1 1 131 131 PHE CE1 C 13 128.980 0.300 . 1 . . . . . . . . 4706 1 1376 . 1 1 131 131 PHE N N 15 120.249 0.200 . 1 . . . . . . . . 4706 1 1377 . 1 1 132 132 HIS H H 1 9.466 0.020 . 1 . . . . . . . . 4706 1 1378 . 1 1 132 132 HIS HA H 1 5.283 0.020 . 1 . . . . . . . . 4706 1 1379 . 1 1 132 132 HIS HB2 H 1 2.819 0.020 . 1 . . . . . . . . 4706 1 1380 . 1 1 132 132 HIS HB3 H 1 2.819 0.020 . 1 . . . . . . . . 4706 1 1381 . 1 1 132 132 HIS HD2 H 1 6.683 0.020 . 1 . . . . . . . . 4706 1 1382 . 1 1 132 132 HIS HE1 H 1 8.013 0.020 . 1 . . . . . . . . 4706 1 1383 . 1 1 132 132 HIS CA C 13 53.822 0.300 . 1 . . . . . . . . 4706 1 1384 . 1 1 132 132 HIS CB C 13 33.313 0.300 . 1 . . . . . . . . 4706 1 1385 . 1 1 132 132 HIS CD2 C 13 112.208 0.300 . 1 . . . . . . . . 4706 1 1386 . 1 1 132 132 HIS CE1 C 13 140.642 0.300 . 1 . . . . . . . . 4706 1 1387 . 1 1 132 132 HIS N N 15 126.545 0.200 . 1 . . . . . . . . 4706 1 1388 . 1 1 132 132 HIS ND1 N 15 255.001 0.200 . 1 . . . . . . . . 4706 1 1389 . 1 1 132 132 HIS NE2 N 15 165.382 0.200 . 1 . . . . . . . . 4706 1 1390 . 1 1 133 133 LEU H H 1 8.377 0.020 . 1 . . . . . . . . 4706 1 1391 . 1 1 133 133 LEU HA H 1 4.185 0.020 . 1 . . . . . . . . 4706 1 1392 . 1 1 133 133 LEU HB2 H 1 1.483 0.020 . 2 . . . . . . . . 4706 1 1393 . 1 1 133 133 LEU HB3 H 1 0.881 0.020 . 2 . . . . . . . . 4706 1 1394 . 1 1 133 133 LEU HG H 1 1.163 0.020 . 1 . . . . . . . . 4706 1 1395 . 1 1 133 133 LEU HD11 H 1 0.109 0.020 . 1 . . . . . . . . 4706 1 1396 . 1 1 133 133 LEU HD12 H 1 0.109 0.020 . 1 . . . . . . . . 4706 1 1397 . 1 1 133 133 LEU HD13 H 1 0.109 0.020 . 1 . . . . . . . . 4706 1 1398 . 1 1 133 133 LEU HD21 H 1 -0.229 0.020 . 1 . . . . . . . . 4706 1 1399 . 1 1 133 133 LEU HD22 H 1 -0.229 0.020 . 1 . . . . . . . . 4706 1 1400 . 1 1 133 133 LEU HD23 H 1 -0.229 0.020 . 1 . . . . . . . . 4706 1 1401 . 1 1 133 133 LEU CA C 13 53.885 0.300 . 1 . . . . . . . . 4706 1 1402 . 1 1 133 133 LEU CB C 13 44.866 0.300 . 1 . . . . . . . . 4706 1 1403 . 1 1 133 133 LEU CG C 13 26.391 0.300 . 1 . . . . . . . . 4706 1 1404 . 1 1 133 133 LEU CD2 C 13 20.713 0.300 . 1 . . . . . . . . 4706 1 1405 . 1 1 133 133 LEU CD1 C 13 25.150 0.300 . 1 . . . . . . . . 4706 1 1406 . 1 1 133 133 LEU N N 15 125.969 0.200 . 1 . . . . . . . . 4706 1 1407 . 1 1 134 134 GLY H H 1 9.523 0.020 . 1 . . . . . . . . 4706 1 1408 . 1 1 134 134 GLY HA3 H 1 3.915 0.020 . 2 . . . . . . . . 4706 1 1409 . 1 1 134 134 GLY HA2 H 1 3.337 0.020 . 2 . . . . . . . . 4706 1 1410 . 1 1 134 134 GLY CA C 13 46.885 0.300 . 1 . . . . . . . . 4706 1 1411 . 1 1 134 134 GLY N N 15 112.041 0.200 . 1 . . . . . . . . 4706 1 1412 . 1 1 135 135 LYS H H 1 7.466 0.020 . 1 . . . . . . . . 4706 1 1413 . 1 1 135 135 LYS HA H 1 4.641 0.020 . 1 . . . . . . . . 4706 1 1414 . 1 1 135 135 LYS HB2 H 1 2.177 0.020 . 1 . . . . . . . . 4706 1 1415 . 1 1 135 135 LYS HB3 H 1 2.017 0.020 . 1 . . . . . . . . 4706 1 1416 . 1 1 135 135 LYS HG2 H 1 1.262 0.020 . 1 . . . . . . . . 4706 1 1417 . 1 1 135 135 LYS HG3 H 1 1.262 0.020 . 1 . . . . . . . . 4706 1 1418 . 1 1 135 135 LYS HD2 H 1 1.484 0.020 . 1 . . . . . . . . 4706 1 1419 . 1 1 135 135 LYS HD3 H 1 1.484 0.020 . 1 . . . . . . . . 4706 1 1420 . 1 1 135 135 LYS CA C 13 53.763 0.300 . 1 . . . . . . . . 4706 1 1421 . 1 1 135 135 LYS CB C 13 38.476 0.300 . 1 . . . . . . . . 4706 1 1422 . 1 1 135 135 LYS CG C 13 25.240 0.300 . 1 . . . . . . . . 4706 1 1423 . 1 1 135 135 LYS CD C 13 27.951 0.300 . 1 . . . . . . . . 4706 1 1424 . 1 1 135 135 LYS N N 15 126.805 0.200 . 1 . . . . . . . . 4706 1 1425 . 1 1 136 136 ALA H H 1 8.579 0.020 . 1 . . . . . . . . 4706 1 1426 . 1 1 136 136 ALA HA H 1 3.921 0.020 . 1 . . . . . . . . 4706 1 1427 . 1 1 136 136 ALA HB1 H 1 1.352 0.020 . 1 . . . . . . . . 4706 1 1428 . 1 1 136 136 ALA HB2 H 1 1.352 0.020 . 1 . . . . . . . . 4706 1 1429 . 1 1 136 136 ALA HB3 H 1 1.352 0.020 . 1 . . . . . . . . 4706 1 1430 . 1 1 136 136 ALA CA C 13 55.023 0.300 . 1 . . . . . . . . 4706 1 1431 . 1 1 136 136 ALA CB C 13 18.911 0.300 . 1 . . . . . . . . 4706 1 1432 . 1 1 136 136 ALA N N 15 124.951 0.200 . 1 . . . . . . . . 4706 1 1433 . 1 1 137 137 GLY H H 1 7.737 0.020 . 1 . . . . . . . . 4706 1 1434 . 1 1 137 137 GLY HA3 H 1 4.432 0.020 . 2 . . . . . . . . 4706 1 1435 . 1 1 137 137 GLY HA2 H 1 3.452 0.020 . 2 . . . . . . . . 4706 1 1436 . 1 1 137 137 GLY CA C 13 43.721 0.300 . 1 . . . . . . . . 4706 1 1437 . 1 1 137 137 GLY N N 15 109.106 0.200 . 1 . . . . . . . . 4706 1 1438 . 1 1 138 138 ALA H H 1 7.869 0.020 . 1 . . . . . . . . 4706 1 1439 . 1 1 138 138 ALA HA H 1 4.138 0.020 . 1 . . . . . . . . 4706 1 1440 . 1 1 138 138 ALA HB1 H 1 1.226 0.020 . 1 . . . . . . . . 4706 1 1441 . 1 1 138 138 ALA HB2 H 1 1.226 0.020 . 1 . . . . . . . . 4706 1 1442 . 1 1 138 138 ALA HB3 H 1 1.226 0.020 . 1 . . . . . . . . 4706 1 1443 . 1 1 138 138 ALA CA C 13 52.419 0.300 . 1 . . . . . . . . 4706 1 1444 . 1 1 138 138 ALA CB C 13 20.119 0.300 . 1 . . . . . . . . 4706 1 1445 . 1 1 138 138 ALA N N 15 123.814 0.200 . 1 . . . . . . . . 4706 1 1446 . 1 1 139 139 TYR H H 1 7.640 0.020 . 1 . . . . . . . . 4706 1 1447 . 1 1 139 139 TYR HA H 1 4.812 0.020 . 1 . . . . . . . . 4706 1 1448 . 1 1 139 139 TYR HB2 H 1 2.753 0.020 . 1 . . . . . . . . 4706 1 1449 . 1 1 139 139 TYR HB3 H 1 3.234 0.020 . 1 . . . . . . . . 4706 1 1450 . 1 1 139 139 TYR HD1 H 1 7.039 0.020 . 1 . . . . . . . . 4706 1 1451 . 1 1 139 139 TYR HD2 H 1 7.039 0.020 . 1 . . . . . . . . 4706 1 1452 . 1 1 139 139 TYR HE1 H 1 6.537 0.020 . 1 . . . . . . . . 4706 1 1453 . 1 1 139 139 TYR HE2 H 1 6.537 0.020 . 1 . . . . . . . . 4706 1 1454 . 1 1 139 139 TYR CA C 13 56.504 0.300 . 1 . . . . . . . . 4706 1 1455 . 1 1 139 139 TYR CB C 13 39.034 0.300 . 1 . . . . . . . . 4706 1 1456 . 1 1 139 139 TYR CD2 C 13 132.856 0.300 . 1 . . . . . . . . 4706 1 1457 . 1 1 139 139 TYR CD1 C 13 132.856 0.300 . 1 . . . . . . . . 4706 1 1458 . 1 1 139 139 TYR CE2 C 13 141.104 0.300 . 1 . . . . . . . . 4706 1 1459 . 1 1 139 139 TYR CE1 C 13 141.104 0.300 . 1 . . . . . . . . 4706 1 1460 . 1 1 139 139 TYR N N 15 117.622 0.200 . 1 . . . . . . . . 4706 1 1461 . 1 1 140 140 GLU H H 1 8.812 0.020 . 1 . . . . . . . . 4706 1 1462 . 1 1 140 140 GLU HA H 1 5.003 0.020 . 1 . . . . . . . . 4706 1 1463 . 1 1 140 140 GLU HB2 H 1 1.905 0.020 . 2 . . . . . . . . 4706 1 1464 . 1 1 140 140 GLU HB3 H 1 2.080 0.020 . 2 . . . . . . . . 4706 1 1465 . 1 1 140 140 GLU HG2 H 1 2.108 0.020 . 1 . . . . . . . . 4706 1 1466 . 1 1 140 140 GLU HG3 H 1 2.108 0.020 . 1 . . . . . . . . 4706 1 1467 . 1 1 140 140 GLU CA C 13 54.741 0.300 . 1 . . . . . . . . 4706 1 1468 . 1 1 140 140 GLU CB C 13 33.129 0.300 . 1 . . . . . . . . 4706 1 1469 . 1 1 140 140 GLU CG C 13 36.993 0.300 . 1 . . . . . . . . 4706 1 1470 . 1 1 140 140 GLU N N 15 122.279 0.200 . 1 . . . . . . . . 4706 1 1471 . 1 1 141 141 PHE H H 1 8.906 0.020 . 1 . . . . . . . . 4706 1 1472 . 1 1 141 141 PHE HA H 1 5.267 0.020 . 1 . . . . . . . . 4706 1 1473 . 1 1 141 141 PHE HB2 H 1 2.929 0.020 . 1 . . . . . . . . 4706 1 1474 . 1 1 141 141 PHE HB3 H 1 2.466 0.020 . 1 . . . . . . . . 4706 1 1475 . 1 1 141 141 PHE HD1 H 1 6.870 0.020 . 1 . . . . . . . . 4706 1 1476 . 1 1 141 141 PHE HD2 H 1 6.870 0.020 . 1 . . . . . . . . 4706 1 1477 . 1 1 141 141 PHE HE1 H 1 6.608 0.020 . 1 . . . . . . . . 4706 1 1478 . 1 1 141 141 PHE HE2 H 1 6.608 0.020 . 1 . . . . . . . . 4706 1 1479 . 1 1 141 141 PHE CA C 13 55.486 0.300 . 1 . . . . . . . . 4706 1 1480 . 1 1 141 141 PHE CB C 13 42.581 0.300 . 1 . . . . . . . . 4706 1 1481 . 1 1 141 141 PHE CD2 C 13 130.858 0.300 . 1 . . . . . . . . 4706 1 1482 . 1 1 141 141 PHE CD1 C 13 130.858 0.300 . 1 . . . . . . . . 4706 1 1483 . 1 1 141 141 PHE CE2 C 13 129.078 0.300 . 1 . . . . . . . . 4706 1 1484 . 1 1 141 141 PHE CE1 C 13 129.078 0.300 . 1 . . . . . . . . 4706 1 1485 . 1 1 141 141 PHE N N 15 131.033 0.200 . 1 . . . . . . . . 4706 1 1486 . 1 1 142 142 CYS H H 1 8.271 0.020 . 1 . . . . . . . . 4706 1 1487 . 1 1 142 142 CYS HA H 1 5.713 0.020 . 1 . . . . . . . . 4706 1 1488 . 1 1 142 142 CYS HB2 H 1 2.987 0.020 . 1 . . . . . . . . 4706 1 1489 . 1 1 142 142 CYS HB3 H 1 2.135 0.020 . 1 . . . . . . . . 4706 1 1490 . 1 1 142 142 CYS CA C 13 54.059 0.300 . 1 . . . . . . . . 4706 1 1491 . 1 1 142 142 CYS CB C 13 49.538 0.300 . 1 . . . . . . . . 4706 1 1492 . 1 1 142 142 CYS N N 15 124.654 0.200 . 1 . . . . . . . . 4706 1 1493 . 1 1 143 143 ILE H H 1 9.011 0.020 . 1 . . . . . . . . 4706 1 1494 . 1 1 143 143 ILE HA H 1 4.701 0.020 . 1 . . . . . . . . 4706 1 1495 . 1 1 143 143 ILE HB H 1 0.962 0.020 . 1 . . . . . . . . 4706 1 1496 . 1 1 143 143 ILE HG21 H 1 0.022 0.020 . 1 . . . . . . . . 4706 1 1497 . 1 1 143 143 ILE HG22 H 1 0.022 0.020 . 1 . . . . . . . . 4706 1 1498 . 1 1 143 143 ILE HG23 H 1 0.022 0.020 . 1 . . . . . . . . 4706 1 1499 . 1 1 143 143 ILE HG12 H 1 1.853 0.020 . 2 . . . . . . . . 4706 1 1500 . 1 1 143 143 ILE HG13 H 1 0.637 0.020 . 2 . . . . . . . . 4706 1 1501 . 1 1 143 143 ILE CA C 13 58.912 0.300 . 1 . . . . . . . . 4706 1 1502 . 1 1 143 143 ILE CB C 13 41.577 0.300 . 1 . . . . . . . . 4706 1 1503 . 1 1 143 143 ILE CG2 C 13 14.127 0.300 . 1 . . . . . . . . 4706 1 1504 . 1 1 143 143 ILE CG1 C 13 28.810 0.300 . 1 . . . . . . . . 4706 1 1505 . 1 1 143 143 ILE CD1 C 13 15.087 0.300 . 1 . . . . . . . . 4706 1 1506 . 1 1 143 143 ILE N N 15 120.847 0.200 . 1 . . . . . . . . 4706 1 1507 . 1 1 144 144 SER H H 1 8.481 0.020 . 1 . . . . . . . . 4706 1 1508 . 1 1 144 144 SER HA H 1 4.904 0.020 . 1 . . . . . . . . 4706 1 1509 . 1 1 144 144 SER HB2 H 1 3.978 0.020 . 1 . . . . . . . . 4706 1 1510 . 1 1 144 144 SER HB3 H 1 3.662 0.020 . 1 . . . . . . . . 4706 1 1511 . 1 1 144 144 SER CA C 13 58.195 0.300 . 1 . . . . . . . . 4706 1 1512 . 1 1 144 144 SER CB C 13 65.008 0.300 . 1 . . . . . . . . 4706 1 1513 . 1 1 144 144 SER N N 15 118.373 0.200 . 1 . . . . . . . . 4706 1 1514 . 1 1 145 145 GLN H H 1 7.365 0.020 . 1 . . . . . . . . 4706 1 1515 . 1 1 145 145 GLN HA H 1 5.628 0.020 . 1 . . . . . . . . 4706 1 1516 . 1 1 145 145 GLN HB2 H 1 2.119 0.020 . 1 . . . . . . . . 4706 1 1517 . 1 1 145 145 GLN HB3 H 1 2.119 0.020 . 1 . . . . . . . . 4706 1 1518 . 1 1 145 145 GLN HG2 H 1 2.372 0.020 . 1 . . . . . . . . 4706 1 1519 . 1 1 145 145 GLN HG3 H 1 2.372 0.020 . 1 . . . . . . . . 4706 1 1520 . 1 1 145 145 GLN HE21 H 1 7.260 0.020 . 1 . . . . . . . . 4706 1 1521 . 1 1 145 145 GLN HE22 H 1 6.432 0.020 . 1 . . . . . . . . 4706 1 1522 . 1 1 145 145 GLN CA C 13 54.882 0.300 . 1 . . . . . . . . 4706 1 1523 . 1 1 145 145 GLN CB C 13 32.034 0.300 . 1 . . . . . . . . 4706 1 1524 . 1 1 145 145 GLN CG C 13 33.038 0.300 . 1 . . . . . . . . 4706 1 1525 . 1 1 145 145 GLN N N 15 125.524 0.200 . 1 . . . . . . . . 4706 1 1526 . 1 1 145 145 GLN NE2 N 15 111.340 0.200 . 1 . . . . . . . . 4706 1 1527 . 1 1 146 146 VAL H H 1 8.704 0.020 . 1 . . . . . . . . 4706 1 1528 . 1 1 146 146 VAL HA H 1 5.251 0.020 . 1 . . . . . . . . 4706 1 1529 . 1 1 146 146 VAL HB H 1 2.250 0.020 . 1 . . . . . . . . 4706 1 1530 . 1 1 146 146 VAL HG11 H 1 1.384 0.020 . 2 . . . . . . . . 4706 1 1531 . 1 1 146 146 VAL HG12 H 1 1.384 0.020 . 2 . . . . . . . . 4706 1 1532 . 1 1 146 146 VAL HG13 H 1 1.384 0.020 . 2 . . . . . . . . 4706 1 1533 . 1 1 146 146 VAL HG21 H 1 1.136 0.020 . 2 . . . . . . . . 4706 1 1534 . 1 1 146 146 VAL HG22 H 1 1.136 0.020 . 2 . . . . . . . . 4706 1 1535 . 1 1 146 146 VAL HG23 H 1 1.136 0.020 . 2 . . . . . . . . 4706 1 1536 . 1 1 146 146 VAL CA C 13 60.528 0.300 . 1 . . . . . . . . 4706 1 1537 . 1 1 146 146 VAL CB C 13 34.930 0.300 . 1 . . . . . . . . 4706 1 1538 . 1 1 146 146 VAL CG2 C 13 21.813 0.300 . 1 . . . . . . . . 4706 1 1539 . 1 1 146 146 VAL CG1 C 13 21.813 0.300 . 1 . . . . . . . . 4706 1 1540 . 1 1 146 146 VAL N N 15 124.367 0.200 . 1 . . . . . . . . 4706 1 1541 . 1 1 147 147 SER H H 1 9.009 0.020 . 1 . . . . . . . . 4706 1 1542 . 1 1 147 147 SER HA H 1 5.134 0.020 . 1 . . . . . . . . 4706 1 1543 . 1 1 147 147 SER HB2 H 1 3.451 0.020 . 2 . . . . . . . . 4706 1 1544 . 1 1 147 147 SER HB3 H 1 3.944 0.020 . 2 . . . . . . . . 4706 1 1545 . 1 1 147 147 SER CA C 13 56.251 0.300 . 1 . . . . . . . . 4706 1 1546 . 1 1 147 147 SER CB C 13 64.478 0.300 . 1 . . . . . . . . 4706 1 1547 . 1 1 147 147 SER N N 15 120.483 0.200 . 1 . . . . . . . . 4706 1 1548 . 1 1 148 148 LEU H H 1 10.582 0.020 . 1 . . . . . . . . 4706 1 1549 . 1 1 148 148 LEU HA H 1 5.703 0.020 . 1 . . . . . . . . 4706 1 1550 . 1 1 148 148 LEU HB2 H 1 1.326 0.020 . 2 . . . . . . . . 4706 1 1551 . 1 1 148 148 LEU HB3 H 1 2.080 0.020 . 2 . . . . . . . . 4706 1 1552 . 1 1 148 148 LEU HG H 1 1.551 0.020 . 1 . . . . . . . . 4706 1 1553 . 1 1 148 148 LEU HD11 H 1 1.109 0.020 . 1 . . . . . . . . 4706 1 1554 . 1 1 148 148 LEU HD12 H 1 1.109 0.020 . 1 . . . . . . . . 4706 1 1555 . 1 1 148 148 LEU HD13 H 1 1.109 0.020 . 1 . . . . . . . . 4706 1 1556 . 1 1 148 148 LEU HD21 H 1 0.779 0.020 . 1 . . . . . . . . 4706 1 1557 . 1 1 148 148 LEU HD22 H 1 0.779 0.020 . 1 . . . . . . . . 4706 1 1558 . 1 1 148 148 LEU HD23 H 1 0.779 0.020 . 1 . . . . . . . . 4706 1 1559 . 1 1 148 148 LEU CA C 13 54.085 0.300 . 1 . . . . . . . . 4706 1 1560 . 1 1 148 148 LEU CB C 13 45.025 0.300 . 1 . . . . . . . . 4706 1 1561 . 1 1 148 148 LEU CG C 13 28.088 0.300 . 1 . . . . . . . . 4706 1 1562 . 1 1 148 148 LEU CD2 C 13 27.650 0.300 . 1 . . . . . . . . 4706 1 1563 . 1 1 148 148 LEU CD1 C 13 24.700 0.300 . 1 . . . . . . . . 4706 1 1564 . 1 1 148 148 LEU N N 15 134.511 0.200 . 1 . . . . . . . . 4706 1 1565 . 1 1 149 149 THR H H 1 8.895 0.020 . 1 . . . . . . . . 4706 1 1566 . 1 1 149 149 THR HA H 1 5.786 0.020 . 1 . . . . . . . . 4706 1 1567 . 1 1 149 149 THR HB H 1 3.971 0.020 . 1 . . . . . . . . 4706 1 1568 . 1 1 149 149 THR HG21 H 1 1.056 0.020 . 1 . . . . . . . . 4706 1 1569 . 1 1 149 149 THR HG22 H 1 1.056 0.020 . 1 . . . . . . . . 4706 1 1570 . 1 1 149 149 THR HG23 H 1 1.056 0.020 . 1 . . . . . . . . 4706 1 1571 . 1 1 149 149 THR CA C 13 58.218 0.300 . 1 . . . . . . . . 4706 1 1572 . 1 1 149 149 THR CB C 13 72.482 0.300 . 1 . . . . . . . . 4706 1 1573 . 1 1 149 149 THR CG2 C 13 21.827 0.300 . 1 . . . . . . . . 4706 1 1574 . 1 1 149 149 THR N N 15 116.981 0.200 . 1 . . . . . . . . 4706 1 1575 . 1 1 150 150 THR H H 1 8.219 0.020 . 1 . . . . . . . . 4706 1 1576 . 1 1 150 150 THR HA H 1 4.677 0.020 . 1 . . . . . . . . 4706 1 1577 . 1 1 150 150 THR HB H 1 4.035 0.020 . 1 . . . . . . . . 4706 1 1578 . 1 1 150 150 THR HG21 H 1 1.100 0.020 . 1 . . . . . . . . 4706 1 1579 . 1 1 150 150 THR HG22 H 1 1.100 0.020 . 1 . . . . . . . . 4706 1 1580 . 1 1 150 150 THR HG23 H 1 1.100 0.020 . 1 . . . . . . . . 4706 1 1581 . 1 1 150 150 THR CA C 13 59.817 0.300 . 1 . . . . . . . . 4706 1 1582 . 1 1 150 150 THR CB C 13 70.238 0.300 . 1 . . . . . . . . 4706 1 1583 . 1 1 150 150 THR CG2 C 13 18.967 0.300 . 1 . . . . . . . . 4706 1 1584 . 1 1 150 150 THR N N 15 113.680 0.200 . 1 . . . . . . . . 4706 1 1585 . 1 1 151 151 SER H H 1 7.700 0.020 . 1 . . . . . . . . 4706 1 1586 . 1 1 151 151 SER HA H 1 4.650 0.020 . 1 . . . . . . . . 4706 1 1587 . 1 1 151 151 SER HB2 H 1 3.687 0.020 . 1 . . . . . . . . 4706 1 1588 . 1 1 151 151 SER HB3 H 1 3.687 0.020 . 1 . . . . . . . . 4706 1 1589 . 1 1 151 151 SER CA C 13 57.553 0.300 . 1 . . . . . . . . 4706 1 1590 . 1 1 151 151 SER CB C 13 64.178 0.300 . 1 . . . . . . . . 4706 1 1591 . 1 1 151 151 SER N N 15 119.158 0.200 . 1 . . . . . . . . 4706 1 1592 . 1 1 152 152 ALA H H 1 8.382 0.020 . 1 . . . . . . . . 4706 1 1593 . 1 1 152 152 ALA HA H 1 4.332 0.020 . 1 . . . . . . . . 4706 1 1594 . 1 1 152 152 ALA HB1 H 1 1.304 0.020 . 1 . . . . . . . . 4706 1 1595 . 1 1 152 152 ALA HB2 H 1 1.304 0.020 . 1 . . . . . . . . 4706 1 1596 . 1 1 152 152 ALA HB3 H 1 1.304 0.020 . 1 . . . . . . . . 4706 1 1597 . 1 1 152 152 ALA CA C 13 52.570 0.300 . 1 . . . . . . . . 4706 1 1598 . 1 1 152 152 ALA CB C 13 19.723 0.300 . 1 . . . . . . . . 4706 1 1599 . 1 1 152 152 ALA N N 15 128.710 0.200 . 1 . . . . . . . . 4706 1 1600 . 1 1 153 153 THR H H 1 7.723 0.020 . 1 . . . . . . . . 4706 1 1601 . 1 1 153 153 THR HA H 1 4.089 0.020 . 1 . . . . . . . . 4706 1 1602 . 1 1 153 153 THR HB H 1 4.597 0.020 . 1 . . . . . . . . 4706 1 1603 . 1 1 153 153 THR HG21 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1604 . 1 1 153 153 THR HG22 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1605 . 1 1 153 153 THR HG23 H 1 1.093 0.020 . 1 . . . . . . . . 4706 1 1606 . 1 1 153 153 THR CA C 13 62.898 0.300 . 1 . . . . . . . . 4706 1 1607 . 1 1 153 153 THR CB C 13 70.619 0.300 . 1 . . . . . . . . 4706 1 1608 . 1 1 153 153 THR CG2 C 13 22.193 0.300 . 1 . . . . . . . . 4706 1 1609 . 1 1 153 153 THR N N 15 119.990 0.200 . 1 . . . . . . . . 4706 1 stop_ save_