data_34606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34606 _Entry.Title ; cytoplasmic domain of Vibrio cholerae ToxR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-23 _Entry.Accession_date 2021-02-23 _Entry.Last_release_date 2021-03-19 _Entry.Original_release_date 2021-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Gubensaek N. . . . 34606 2 K. Zangger K. . . . 34606 3 C. Hartlmueller C. . . . 34606 4 T. Madl T. . . . 34606 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding domain wHTH transcription factor' . 34606 TRANSCRIPTION . 34606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 34606 '15N chemical shifts' 101 34606 '1H chemical shifts' 492 34606 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 . . 2021-10-22 . original BMRB . 34606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NMB 'BMRB Entry Tracking System' 34606 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34606 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34487759 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and DNA binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _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 101167 _Citation.Page_last 101167 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nina Gubensak N. . . . 34606 1 2 Evelyne Schrank E. . . . 34606 1 3 Christoph Hartlmuller C. . . . 34606 1 4 Christoph Gobl C. . . . 34606 1 5 Fabio Falsone F. S. . . 34606 1 6 Walter Becker W. . . . 34606 1 7 Gabriel Wagner G. E. . . 34606 1 8 Sergio Pulido S. . . . 34606 1 9 'N Helge' Meyer N. H. . . 34606 1 10 Tea Pavkov-Keller T. . . . 34606 1 11 Tobias Madl T. . . . 34606 1 12 Joachim Reidl J. . . . 34606 1 13 Klaus Zangger K. . . . 34606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34606 _Assembly.ID 1 _Assembly.Name 'Cholera toxin transcriptional activator' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHGSMFGLGHNSKE ISMSHIGTKFILAEKFTFDP LSNTLIDKEDSEEIIRLGSN ESRILWLLAQRPNEVISRND LHDFVWREQGFEVDDSSLTQ AISTLRKMLKDSTKSPQYVK TVPKRGYQLIARVETVEEEM ARES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16641.771 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -9 MET . 34606 1 2 -8 ALA . 34606 1 3 -7 HIS . 34606 1 4 -6 HIS . 34606 1 5 -5 HIS . 34606 1 6 -4 HIS . 34606 1 7 -3 HIS . 34606 1 8 -2 HIS . 34606 1 9 -1 GLY . 34606 1 10 0 SER . 34606 1 11 1 MET . 34606 1 12 2 PHE . 34606 1 13 3 GLY . 34606 1 14 4 LEU . 34606 1 15 5 GLY . 34606 1 16 6 HIS . 34606 1 17 7 ASN . 34606 1 18 8 SER . 34606 1 19 9 LYS . 34606 1 20 10 GLU . 34606 1 21 11 ILE . 34606 1 22 12 SER . 34606 1 23 13 MET . 34606 1 24 14 SER . 34606 1 25 15 HIS . 34606 1 26 16 ILE . 34606 1 27 17 GLY . 34606 1 28 18 THR . 34606 1 29 19 LYS . 34606 1 30 20 PHE . 34606 1 31 21 ILE . 34606 1 32 22 LEU . 34606 1 33 23 ALA . 34606 1 34 24 GLU . 34606 1 35 25 LYS . 34606 1 36 26 PHE . 34606 1 37 27 THR . 34606 1 38 28 PHE . 34606 1 39 29 ASP . 34606 1 40 30 PRO . 34606 1 41 31 LEU . 34606 1 42 32 SER . 34606 1 43 33 ASN . 34606 1 44 34 THR . 34606 1 45 35 LEU . 34606 1 46 36 ILE . 34606 1 47 37 ASP . 34606 1 48 38 LYS . 34606 1 49 39 GLU . 34606 1 50 40 ASP . 34606 1 51 41 SER . 34606 1 52 42 GLU . 34606 1 53 43 GLU . 34606 1 54 44 ILE . 34606 1 55 45 ILE . 34606 1 56 46 ARG . 34606 1 57 47 LEU . 34606 1 58 48 GLY . 34606 1 59 49 SER . 34606 1 60 50 ASN . 34606 1 61 51 GLU . 34606 1 62 52 SER . 34606 1 63 53 ARG . 34606 1 64 54 ILE . 34606 1 65 55 LEU . 34606 1 66 56 TRP . 34606 1 67 57 LEU . 34606 1 68 58 LEU . 34606 1 69 59 ALA . 34606 1 70 60 GLN . 34606 1 71 61 ARG . 34606 1 72 62 PRO . 34606 1 73 63 ASN . 34606 1 74 64 GLU . 34606 1 75 65 VAL . 34606 1 76 66 ILE . 34606 1 77 67 SER . 34606 1 78 68 ARG . 34606 1 79 69 ASN . 34606 1 80 70 ASP . 34606 1 81 71 LEU . 34606 1 82 72 HIS . 34606 1 83 73 ASP . 34606 1 84 74 PHE . 34606 1 85 75 VAL . 34606 1 86 76 TRP . 34606 1 87 77 ARG . 34606 1 88 78 GLU . 34606 1 89 79 GLN . 34606 1 90 80 GLY . 34606 1 91 81 PHE . 34606 1 92 82 GLU . 34606 1 93 83 VAL . 34606 1 94 84 ASP . 34606 1 95 85 ASP . 34606 1 96 86 SER . 34606 1 97 87 SER . 34606 1 98 88 LEU . 34606 1 99 89 THR . 34606 1 100 90 GLN . 34606 1 101 91 ALA . 34606 1 102 92 ILE . 34606 1 103 93 SER . 34606 1 104 94 THR . 34606 1 105 95 LEU . 34606 1 106 96 ARG . 34606 1 107 97 LYS . 34606 1 108 98 MET . 34606 1 109 99 LEU . 34606 1 110 100 LYS . 34606 1 111 101 ASP . 34606 1 112 102 SER . 34606 1 113 103 THR . 34606 1 114 104 LYS . 34606 1 115 105 SER . 34606 1 116 106 PRO . 34606 1 117 107 GLN . 34606 1 118 108 TYR . 34606 1 119 109 VAL . 34606 1 120 110 LYS . 34606 1 121 111 THR . 34606 1 122 112 VAL . 34606 1 123 113 PRO . 34606 1 124 114 LYS . 34606 1 125 115 ARG . 34606 1 126 116 GLY . 34606 1 127 117 TYR . 34606 1 128 118 GLN . 34606 1 129 119 LEU . 34606 1 130 120 ILE . 34606 1 131 121 ALA . 34606 1 132 122 ARG . 34606 1 133 123 VAL . 34606 1 134 124 GLU . 34606 1 135 125 THR . 34606 1 136 126 VAL . 34606 1 137 127 GLU . 34606 1 138 128 GLU . 34606 1 139 129 GLU . 34606 1 140 130 MET . 34606 1 141 131 ALA . 34606 1 142 132 ARG . 34606 1 143 133 GLU . 34606 1 144 134 SER . 34606 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34606 1 . ALA 2 2 34606 1 . HIS 3 3 34606 1 . HIS 4 4 34606 1 . HIS 5 5 34606 1 . HIS 6 6 34606 1 . HIS 7 7 34606 1 . HIS 8 8 34606 1 . GLY 9 9 34606 1 . SER 10 10 34606 1 . MET 11 11 34606 1 . PHE 12 12 34606 1 . GLY 13 13 34606 1 . LEU 14 14 34606 1 . GLY 15 15 34606 1 . HIS 16 16 34606 1 . ASN 17 17 34606 1 . SER 18 18 34606 1 . LYS 19 19 34606 1 . GLU 20 20 34606 1 . ILE 21 21 34606 1 . SER 22 22 34606 1 . MET 23 23 34606 1 . SER 24 24 34606 1 . HIS 25 25 34606 1 . ILE 26 26 34606 1 . GLY 27 27 34606 1 . THR 28 28 34606 1 . LYS 29 29 34606 1 . PHE 30 30 34606 1 . ILE 31 31 34606 1 . LEU 32 32 34606 1 . ALA 33 33 34606 1 . GLU 34 34 34606 1 . LYS 35 35 34606 1 . PHE 36 36 34606 1 . THR 37 37 34606 1 . PHE 38 38 34606 1 . ASP 39 39 34606 1 . PRO 40 40 34606 1 . LEU 41 41 34606 1 . SER 42 42 34606 1 . ASN 43 43 34606 1 . THR 44 44 34606 1 . LEU 45 45 34606 1 . ILE 46 46 34606 1 . ASP 47 47 34606 1 . LYS 48 48 34606 1 . GLU 49 49 34606 1 . ASP 50 50 34606 1 . SER 51 51 34606 1 . GLU 52 52 34606 1 . GLU 53 53 34606 1 . ILE 54 54 34606 1 . ILE 55 55 34606 1 . ARG 56 56 34606 1 . LEU 57 57 34606 1 . GLY 58 58 34606 1 . SER 59 59 34606 1 . ASN 60 60 34606 1 . GLU 61 61 34606 1 . SER 62 62 34606 1 . ARG 63 63 34606 1 . ILE 64 64 34606 1 . LEU 65 65 34606 1 . TRP 66 66 34606 1 . LEU 67 67 34606 1 . LEU 68 68 34606 1 . ALA 69 69 34606 1 . GLN 70 70 34606 1 . ARG 71 71 34606 1 . PRO 72 72 34606 1 . ASN 73 73 34606 1 . GLU 74 74 34606 1 . VAL 75 75 34606 1 . ILE 76 76 34606 1 . SER 77 77 34606 1 . ARG 78 78 34606 1 . ASN 79 79 34606 1 . ASP 80 80 34606 1 . LEU 81 81 34606 1 . HIS 82 82 34606 1 . ASP 83 83 34606 1 . PHE 84 84 34606 1 . VAL 85 85 34606 1 . TRP 86 86 34606 1 . ARG 87 87 34606 1 . GLU 88 88 34606 1 . GLN 89 89 34606 1 . GLY 90 90 34606 1 . PHE 91 91 34606 1 . GLU 92 92 34606 1 . VAL 93 93 34606 1 . ASP 94 94 34606 1 . ASP 95 95 34606 1 . SER 96 96 34606 1 . SER 97 97 34606 1 . LEU 98 98 34606 1 . THR 99 99 34606 1 . GLN 100 100 34606 1 . ALA 101 101 34606 1 . ILE 102 102 34606 1 . SER 103 103 34606 1 . THR 104 104 34606 1 . LEU 105 105 34606 1 . ARG 106 106 34606 1 . LYS 107 107 34606 1 . MET 108 108 34606 1 . LEU 109 109 34606 1 . LYS 110 110 34606 1 . ASP 111 111 34606 1 . SER 112 112 34606 1 . THR 113 113 34606 1 . LYS 114 114 34606 1 . SER 115 115 34606 1 . PRO 116 116 34606 1 . GLN 117 117 34606 1 . TYR 118 118 34606 1 . VAL 119 119 34606 1 . LYS 120 120 34606 1 . THR 121 121 34606 1 . VAL 122 122 34606 1 . PRO 123 123 34606 1 . LYS 124 124 34606 1 . ARG 125 125 34606 1 . GLY 126 126 34606 1 . TYR 127 127 34606 1 . GLN 128 128 34606 1 . LEU 129 129 34606 1 . ILE 130 130 34606 1 . ALA 131 131 34606 1 . ARG 132 132 34606 1 . VAL 133 133 34606 1 . GLU 134 134 34606 1 . THR 135 135 34606 1 . VAL 136 136 34606 1 . GLU 137 137 34606 1 . GLU 138 138 34606 1 . GLU 139 139 34606 1 . MET 140 140 34606 1 . ALA 141 141 34606 1 . ARG 142 142 34606 1 . GLU 143 143 34606 1 . SER 144 144 34606 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 34606 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . 'toxR, ERS013165_01791' . 34606 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 34606 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34606 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cToxR_1-134 '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 34606 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34606 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34606 1 pH 6.5 . pH 34606 1 pressure 1 . bar 34606 1 temperature 298 . K 34606 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34606 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34606 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34606 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34606 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34606 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34606 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34606 _Software.ID 3 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 34606 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34606 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34606 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34606 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 34606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 12 hCCONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 13 hCCONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34606 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34606 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34606 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34606 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 34606 1 2 '2D 1H-13C HSQC' . . . 34606 1 3 '3D HNCA' . . . 34606 1 4 '3D HNCO' . . . 34606 1 5 '3D HN(CO)CA' . . . 34606 1 6 '3D HCCH-TOCSY' . . . 34606 1 7 '3D 1H-13C NOESY aromatic' . . . 34606 1 8 '3D HN(CA)CO' . . . 34606 1 9 '3D HNCACB' . . . 34606 1 10 '3D 1H-13C NOESY' . . . 34606 1 11 '3D 1H-15N NOESY' . . . 34606 1 12 hCCONH . . . 34606 1 13 hCCONH . . . 34606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 26 26 ILE H H 1 8.183 . . . . . . . A 16 ILE H . 34606 1 2 . 1 . 1 26 26 ILE HA H 1 4.190 . . . . . . . A 16 ILE HA . 34606 1 3 . 1 . 1 26 26 ILE HB H 1 0.862 . . . . . . . A 16 ILE HB . 34606 1 4 . 1 . 1 26 26 ILE HG12 H 1 1.389 . . . . . . . A 16 ILE HG12 . 34606 1 5 . 1 . 1 26 26 ILE HD11 H 1 0.769 . . . . . . . A 16 ILE HD11 . 34606 1 6 . 1 . 1 26 26 ILE HD12 H 1 0.769 . . . . . . . A 16 ILE HD12 . 34606 1 7 . 1 . 1 26 26 ILE HD13 H 1 0.769 . . . . . . . A 16 ILE HD13 . 34606 1 8 . 1 . 1 26 26 ILE CA C 13 61.324 . . . . . . . A 16 ILE CA . 34606 1 9 . 1 . 1 26 26 ILE CB C 13 39.029 . . . . . . . A 16 ILE CB . 34606 1 10 . 1 . 1 26 26 ILE CG1 C 13 27.439 . . . . . . . A 16 ILE CG1 . 34606 1 11 . 1 . 1 26 26 ILE CG2 C 13 17.615 . . . . . . . A 16 ILE CG2 . 34606 1 12 . 1 . 1 26 26 ILE CD1 C 13 13.027 . . . . . . . A 16 ILE CD1 . 34606 1 13 . 1 . 1 26 26 ILE N N 15 122.183 . . . . . . . A 16 ILE N . 34606 1 14 . 1 . 1 27 27 GLY H H 1 8.732 . . . . . . . A 17 GLY H . 34606 1 15 . 1 . 1 27 27 GLY CA C 13 45.608 . . . . . . . A 17 GLY CA . 34606 1 16 . 1 . 1 27 27 GLY N N 15 113.183 . . . . . . . A 17 GLY N . 34606 1 17 . 1 . 1 28 28 THR H H 1 7.858 . . . . . . . A 18 THR H . 34606 1 18 . 1 . 1 28 28 THR HA H 1 4.293 . . . . . . . A 18 THR HA . 34606 1 19 . 1 . 1 28 28 THR HB H 1 3.941 . . . . . . . A 18 THR HB . 34606 1 20 . 1 . 1 28 28 THR CA C 13 62.497 . . . . . . . A 18 THR CA . 34606 1 21 . 1 . 1 28 28 THR CB C 13 69.966 . . . . . . . A 18 THR CB . 34606 1 22 . 1 . 1 28 28 THR CG2 C 13 22.104 . . . . . . . A 18 THR CG2 . 34606 1 23 . 1 . 1 28 28 THR N N 15 115.349 . . . . . . . A 18 THR N . 34606 1 24 . 1 . 1 29 29 LYS HB2 H 1 1.523 . . . . . . . A 19 LYS HB2 . 34606 1 25 . 1 . 1 29 29 LYS HG2 H 1 1.160 . . . . . . . A 19 LYS HG2 . 34606 1 26 . 1 . 1 29 29 LYS HD2 H 1 1.387 . . . . . . . A 19 LYS HD2 . 34606 1 27 . 1 . 1 29 29 LYS HE2 H 1 2.762 . . . . . . . A 19 LYS HE2 . 34606 1 28 . 1 . 1 29 29 LYS CA C 13 55.470 . . . . . . . A 19 LYS CA . 34606 1 29 . 1 . 1 29 29 LYS CB C 13 35.482 . . . . . . . A 19 LYS CB . 34606 1 30 . 1 . 1 29 29 LYS CG C 13 25.548 . . . . . . . A 19 LYS CG . 34606 1 31 . 1 . 1 29 29 LYS CD C 13 29.342 . . . . . . . A 19 LYS CD . 34606 1 32 . 1 . 1 29 29 LYS CE C 13 42.050 . . . . . . . A 19 LYS CE . 34606 1 33 . 1 . 1 30 30 PHE H H 1 8.638 . . . . . . . A 20 PHE H . 34606 1 34 . 1 . 1 30 30 PHE CA C 13 57.191 . . . . . . . A 20 PHE CA . 34606 1 35 . 1 . 1 30 30 PHE CB C 13 43.757 . . . . . . . A 20 PHE CB . 34606 1 36 . 1 . 1 30 30 PHE N N 15 118.078 . . . . . . . A 20 PHE N . 34606 1 37 . 1 . 1 31 31 ILE H H 1 9.535 . . . . . . . A 21 ILE H . 34606 1 38 . 1 . 1 31 31 ILE HA H 1 5.375 . . . . . . . A 21 ILE HA . 34606 1 39 . 1 . 1 31 31 ILE HB H 1 1.813 . . . . . . . A 21 ILE HB . 34606 1 40 . 1 . 1 31 31 ILE HG12 H 1 1.126 . . . . . . . A 21 ILE HG12 . 34606 1 41 . 1 . 1 31 31 ILE HG21 H 1 0.778 . . . . . . . A 21 ILE HG21 . 34606 1 42 . 1 . 1 31 31 ILE HG22 H 1 0.778 . . . . . . . A 21 ILE HG22 . 34606 1 43 . 1 . 1 31 31 ILE HG23 H 1 0.778 . . . . . . . A 21 ILE HG23 . 34606 1 44 . 1 . 1 31 31 ILE HD11 H 1 0.727 . . . . . . . A 21 ILE HD11 . 34606 1 45 . 1 . 1 31 31 ILE HD12 H 1 0.727 . . . . . . . A 21 ILE HD12 . 34606 1 46 . 1 . 1 31 31 ILE HD13 H 1 0.727 . . . . . . . A 21 ILE HD13 . 34606 1 47 . 1 . 1 31 31 ILE CA C 13 60.094 . . . . . . . A 21 ILE CA . 34606 1 48 . 1 . 1 31 31 ILE CB C 13 38.674 . . . . . . . A 21 ILE CB . 34606 1 49 . 1 . 1 31 31 ILE CG1 C 13 27.659 . . . . . . . A 21 ILE CG1 . 34606 1 50 . 1 . 1 31 31 ILE CG2 C 13 17.694 . . . . . . . A 21 ILE CG2 . 34606 1 51 . 1 . 1 31 31 ILE CD1 C 13 13.141 . . . . . . . A 21 ILE CD1 . 34606 1 52 . 1 . 1 31 31 ILE N N 15 122.666 . . . . . . . A 21 ILE N . 34606 1 53 . 1 . 1 32 32 LEU H H 1 9.836 . . . . . . . A 22 LEU H . 34606 1 54 . 1 . 1 32 32 LEU HA H 1 5.494 . . . . . . . A 22 LEU HA . 34606 1 55 . 1 . 1 32 32 LEU HB2 H 1 2.054 . . . . . . . A 22 LEU HB2 . 34606 1 56 . 1 . 1 32 32 LEU HB3 H 1 1.398 . . . . . . . A 22 LEU HB3 . 34606 1 57 . 1 . 1 32 32 LEU HG H 1 0.868 . . . . . . . A 22 LEU HG . 34606 1 58 . 1 . 1 32 32 LEU CA C 13 53.329 . . . . . . . A 22 LEU CA . 34606 1 59 . 1 . 1 32 32 LEU CB C 13 44.287 . . . . . . . A 22 LEU CB . 34606 1 60 . 1 . 1 32 32 LEU CG C 13 25.922 . . . . . . . A 22 LEU CG . 34606 1 61 . 1 . 1 32 32 LEU CD1 C 13 27.504 . . . . . . . A 22 LEU CD1 . 34606 1 62 . 1 . 1 32 32 LEU N N 15 128.620 . . . . . . . A 22 LEU N . 34606 1 63 . 1 . 1 33 33 ALA H H 1 10.288 . . . . . . . A 23 ALA H . 34606 1 64 . 1 . 1 33 33 ALA HA H 1 4.147 . . . . . . . A 23 ALA HA . 34606 1 65 . 1 . 1 33 33 ALA HB1 H 1 1.532 . . . . . . . A 23 ALA HB1 . 34606 1 66 . 1 . 1 33 33 ALA HB2 H 1 1.532 . . . . . . . A 23 ALA HB2 . 34606 1 67 . 1 . 1 33 33 ALA HB3 H 1 1.532 . . . . . . . A 23 ALA HB3 . 34606 1 68 . 1 . 1 33 33 ALA CA C 13 53.126 . . . . . . . A 23 ALA CA . 34606 1 69 . 1 . 1 33 33 ALA CB C 13 18.334 . . . . . . . A 23 ALA CB . 34606 1 70 . 1 . 1 33 33 ALA N N 15 128.337 . . . . . . . A 23 ALA N . 34606 1 71 . 1 . 1 34 34 GLU H H 1 9.456 . . . . . . . A 24 GLU H . 34606 1 72 . 1 . 1 34 34 GLU HA H 1 3.579 . . . . . . . A 24 GLU HA . 34606 1 73 . 1 . 1 34 34 GLU HB2 H 1 2.213 . . . . . . . A 24 GLU HB2 . 34606 1 74 . 1 . 1 34 34 GLU HG2 H 1 2.062 . . . . . . . A 24 GLU HG2 . 34606 1 75 . 1 . 1 34 34 GLU CA C 13 57.810 . . . . . . . A 24 GLU CA . 34606 1 76 . 1 . 1 34 34 GLU CB C 13 28.191 . . . . . . . A 24 GLU CB . 34606 1 77 . 1 . 1 34 34 GLU CG C 13 37.428 . . . . . . . A 24 GLU CG . 34606 1 78 . 1 . 1 34 34 GLU N N 15 111.173 . . . . . . . A 24 GLU N . 34606 1 79 . 1 . 1 35 35 LYS H H 1 8.096 . . . . . . . A 25 LYS H . 34606 1 80 . 1 . 1 35 35 LYS HB2 H 1 1.615 . . . . . . . A 25 LYS HB2 . 34606 1 81 . 1 . 1 35 35 LYS HG2 H 1 0.939 . . . . . . . A 25 LYS HG2 . 34606 1 82 . 1 . 1 35 35 LYS HG3 H 1 0.300 . . . . . . . A 25 LYS HG3 . 34606 1 83 . 1 . 1 35 35 LYS HD2 H 1 1.492 . . . . . . . A 25 LYS HD2 . 34606 1 84 . 1 . 1 35 35 LYS HE2 H 1 2.533 . . . . . . . A 25 LYS HE2 . 34606 1 85 . 1 . 1 35 35 LYS CA C 13 58.808 . . . . . . . A 25 LYS CA . 34606 1 86 . 1 . 1 35 35 LYS CB C 13 36.836 . . . . . . . A 25 LYS CB . 34606 1 87 . 1 . 1 35 35 LYS CG C 13 25.008 . . . . . . . A 25 LYS CG . 34606 1 88 . 1 . 1 35 35 LYS CD C 13 29.366 . . . . . . . A 25 LYS CD . 34606 1 89 . 1 . 1 35 35 LYS CE C 13 41.926 . . . . . . . A 25 LYS CE . 34606 1 90 . 1 . 1 35 35 LYS N N 15 118.811 . . . . . . . A 25 LYS N . 34606 1 91 . 1 . 1 36 36 PHE H H 1 8.313 . . . . . . . A 26 PHE H . 34606 1 92 . 1 . 1 36 36 PHE HA H 1 5.766 . . . . . . . A 26 PHE HA . 34606 1 93 . 1 . 1 36 36 PHE HB2 H 1 2.785 . . . . . . . A 26 PHE HB2 . 34606 1 94 . 1 . 1 36 36 PHE CA C 13 56.296 . . . . . . . A 26 PHE CA . 34606 1 95 . 1 . 1 36 36 PHE CB C 13 43.316 . . . . . . . A 26 PHE CB . 34606 1 96 . 1 . 1 36 36 PHE N N 15 116.084 . . . . . . . A 26 PHE N . 34606 1 97 . 1 . 1 37 37 THR H H 1 9.572 . . . . . . . A 27 THR H . 34606 1 98 . 1 . 1 37 37 THR HA H 1 5.079 . . . . . . . A 27 THR HA . 34606 1 99 . 1 . 1 37 37 THR HB H 1 4.041 . . . . . . . A 27 THR HB . 34606 1 100 . 1 . 1 37 37 THR HG21 H 1 1.065 . . . . . . . A 27 THR HG21 . 34606 1 101 . 1 . 1 37 37 THR HG22 H 1 1.065 . . . . . . . A 27 THR HG22 . 34606 1 102 . 1 . 1 37 37 THR HG23 H 1 1.065 . . . . . . . A 27 THR HG23 . 34606 1 103 . 1 . 1 37 37 THR CA C 13 62.866 . . . . . . . A 27 THR CA . 34606 1 104 . 1 . 1 37 37 THR CB C 13 69.157 . . . . . . . A 27 THR CB . 34606 1 105 . 1 . 1 37 37 THR CG2 C 13 21.274 . . . . . . . A 27 THR CG2 . 34606 1 106 . 1 . 1 37 37 THR N N 15 119.473 . . . . . . . A 27 THR N . 34606 1 107 . 1 . 1 38 38 PHE H H 1 10.156 . . . . . . . A 28 PHE H . 34606 1 108 . 1 . 1 38 38 PHE HA H 1 5.778 . . . . . . . A 28 PHE HA . 34606 1 109 . 1 . 1 38 38 PHE CA C 13 54.194 . . . . . . . A 28 PHE CA . 34606 1 110 . 1 . 1 38 38 PHE CB C 13 42.115 . . . . . . . A 28 PHE CB . 34606 1 111 . 1 . 1 38 38 PHE N N 15 131.155 . . . . . . . A 28 PHE N . 34606 1 112 . 1 . 1 39 39 ASP H H 1 8.262 . . . . . . . A 29 ASP H . 34606 1 113 . 1 . 1 39 39 ASP N N 15 128.170 . . . . . . . A 29 ASP N . 34606 1 114 . 1 . 1 40 40 PRO HA H 1 3.634 . . . . . . . A 30 PRO HA . 34606 1 115 . 1 . 1 40 40 PRO HB2 H 1 1.157 . . . . . . . A 30 PRO HB2 . 34606 1 116 . 1 . 1 40 40 PRO HB3 H 1 0.475 . . . . . . . A 30 PRO HB3 . 34606 1 117 . 1 . 1 40 40 PRO HG2 H 1 1.078 . . . . . . . A 30 PRO HG2 . 34606 1 118 . 1 . 1 40 40 PRO HG3 H 1 0.825 . . . . . . . A 30 PRO HG3 . 34606 1 119 . 1 . 1 40 40 PRO HD2 H 1 3.852 . . . . . . . A 30 PRO HD2 . 34606 1 120 . 1 . 1 40 40 PRO HD3 H 1 2.520 . . . . . . . A 30 PRO HD3 . 34606 1 121 . 1 . 1 40 40 PRO CA C 13 62.595 . . . . . . . A 30 PRO CA . 34606 1 122 . 1 . 1 40 40 PRO CB C 13 31.231 . . . . . . . A 30 PRO CB . 34606 1 123 . 1 . 1 40 40 PRO CG C 13 26.030 . . . . . . . A 30 PRO CG . 34606 1 124 . 1 . 1 40 40 PRO CD C 13 50.479 . . . . . . . A 30 PRO CD . 34606 1 125 . 1 . 1 41 41 LEU H H 1 7.504 . . . . . . . A 31 LEU H . 34606 1 126 . 1 . 1 41 41 LEU HA H 1 4.031 . . . . . . . A 31 LEU HA . 34606 1 127 . 1 . 1 41 41 LEU HB2 H 1 1.701 . . . . . . . A 31 LEU HB2 . 34606 1 128 . 1 . 1 41 41 LEU HB3 H 1 1.455 . . . . . . . A 31 LEU HB3 . 34606 1 129 . 1 . 1 41 41 LEU HG H 1 1.418 . . . . . . . A 31 LEU HG . 34606 1 130 . 1 . 1 41 41 LEU HD11 H 1 0.698 . . . . . . . A 31 LEU HD11 . 34606 1 131 . 1 . 1 41 41 LEU HD12 H 1 0.698 . . . . . . . A 31 LEU HD12 . 34606 1 132 . 1 . 1 41 41 LEU HD13 H 1 0.698 . . . . . . . A 31 LEU HD13 . 34606 1 133 . 1 . 1 41 41 LEU HD21 H 1 0.830 . . . . . . . A 31 LEU HD21 . 34606 1 134 . 1 . 1 41 41 LEU HD22 H 1 0.830 . . . . . . . A 31 LEU HD22 . 34606 1 135 . 1 . 1 41 41 LEU HD23 H 1 0.830 . . . . . . . A 31 LEU HD23 . 34606 1 136 . 1 . 1 41 41 LEU CA C 13 56.486 . . . . . . . A 31 LEU CA . 34606 1 137 . 1 . 1 41 41 LEU CB C 13 40.699 . . . . . . . A 31 LEU CB . 34606 1 138 . 1 . 1 41 41 LEU CG C 13 27.405 . . . . . . . A 31 LEU CG . 34606 1 139 . 1 . 1 41 41 LEU CD1 C 13 23.324 . . . . . . . A 31 LEU CD1 . 34606 1 140 . 1 . 1 41 41 LEU CD2 C 13 24.790 . . . . . . . A 31 LEU CD2 . 34606 1 141 . 1 . 1 41 41 LEU N N 15 117.537 . . . . . . . A 31 LEU N . 34606 1 142 . 1 . 1 42 42 SER H H 1 6.949 . . . . . . . A 32 SER H . 34606 1 143 . 1 . 1 42 42 SER CA C 13 58.015 . . . . . . . A 32 SER CA . 34606 1 144 . 1 . 1 42 42 SER CB C 13 64.133 . . . . . . . A 32 SER CB . 34606 1 145 . 1 . 1 42 42 SER N N 15 111.498 . . . . . . . A 32 SER N . 34606 1 146 . 1 . 1 43 43 ASN H H 1 7.726 . . . . . . . A 33 ASN H . 34606 1 147 . 1 . 1 43 43 ASN HB2 H 1 3.109 . . . . . . . A 33 ASN HB2 . 34606 1 148 . 1 . 1 43 43 ASN HB3 H 1 3.301 . . . . . . . A 33 ASN HB3 . 34606 1 149 . 1 . 1 43 43 ASN CA C 13 54.546 . . . . . . . A 33 ASN CA . 34606 1 150 . 1 . 1 43 43 ASN CB C 13 36.991 . . . . . . . A 33 ASN CB . 34606 1 151 . 1 . 1 43 43 ASN N N 15 117.085 . . . . . . . A 33 ASN N . 34606 1 152 . 1 . 1 44 44 THR H H 1 7.628 . . . . . . . A 34 THR H . 34606 1 153 . 1 . 1 44 44 THR HA H 1 5.397 . . . . . . . A 34 THR HA . 34606 1 154 . 1 . 1 44 44 THR HB H 1 3.965 . . . . . . . A 34 THR HB . 34606 1 155 . 1 . 1 44 44 THR HG21 H 1 1.038 . . . . . . . A 34 THR HG21 . 34606 1 156 . 1 . 1 44 44 THR HG22 H 1 1.038 . . . . . . . A 34 THR HG22 . 34606 1 157 . 1 . 1 44 44 THR HG23 H 1 1.038 . . . . . . . A 34 THR HG23 . 34606 1 158 . 1 . 1 44 44 THR CA C 13 59.940 . . . . . . . A 34 THR CA . 34606 1 159 . 1 . 1 44 44 THR CB C 13 73.273 . . . . . . . A 34 THR CB . 34606 1 160 . 1 . 1 44 44 THR CG2 C 13 22.189 . . . . . . . A 34 THR CG2 . 34606 1 161 . 1 . 1 44 44 THR N N 15 106.284 . . . . . . . A 34 THR N . 34606 1 162 . 1 . 1 45 45 LEU H H 1 9.055 . . . . . . . A 35 LEU H . 34606 1 163 . 1 . 1 45 45 LEU HA H 1 5.426 . . . . . . . A 35 LEU HA . 34606 1 164 . 1 . 1 45 45 LEU HB2 H 1 1.432 . . . . . . . A 35 LEU HB2 . 34606 1 165 . 1 . 1 45 45 LEU HG H 1 0.424 . . . . . . . A 35 LEU HG . 34606 1 166 . 1 . 1 45 45 LEU HD11 H 1 0.353 . . . . . . . A 35 LEU HD11 . 34606 1 167 . 1 . 1 45 45 LEU HD12 H 1 0.353 . . . . . . . A 35 LEU HD12 . 34606 1 168 . 1 . 1 45 45 LEU HD13 H 1 0.353 . . . . . . . A 35 LEU HD13 . 34606 1 169 . 1 . 1 45 45 LEU CA C 13 53.556 . . . . . . . A 35 LEU CA . 34606 1 170 . 1 . 1 45 45 LEU CB C 13 47.262 . . . . . . . A 35 LEU CB . 34606 1 171 . 1 . 1 45 45 LEU CG C 13 25.088 . . . . . . . A 35 LEU CG . 34606 1 172 . 1 . 1 45 45 LEU CD1 C 13 25.580 . . . . . . . A 35 LEU CD1 . 34606 1 173 . 1 . 1 45 45 LEU N N 15 122.521 . . . . . . . A 35 LEU N . 34606 1 174 . 1 . 1 46 46 ILE H H 1 8.561 . . . . . . . A 36 ILE H . 34606 1 175 . 1 . 1 46 46 ILE HA H 1 4.604 . . . . . . . A 36 ILE HA . 34606 1 176 . 1 . 1 46 46 ILE HB H 1 1.698 . . . . . . . A 36 ILE HB . 34606 1 177 . 1 . 1 46 46 ILE HG12 H 1 1.658 . . . . . . . A 36 ILE HG12 . 34606 1 178 . 1 . 1 46 46 ILE HD11 H 1 0.845 . . . . . . . A 36 ILE HD11 . 34606 1 179 . 1 . 1 46 46 ILE HD12 H 1 0.845 . . . . . . . A 36 ILE HD12 . 34606 1 180 . 1 . 1 46 46 ILE HD13 H 1 0.845 . . . . . . . A 36 ILE HD13 . 34606 1 181 . 1 . 1 46 46 ILE CA C 13 60.797 . . . . . . . A 36 ILE CA . 34606 1 182 . 1 . 1 46 46 ILE CB C 13 42.215 . . . . . . . A 36 ILE CB . 34606 1 183 . 1 . 1 46 46 ILE CG1 C 13 27.915 . . . . . . . A 36 ILE CG1 . 34606 1 184 . 1 . 1 46 46 ILE CG2 C 13 17.855 . . . . . . . A 36 ILE CG2 . 34606 1 185 . 1 . 1 46 46 ILE CD1 C 13 13.978 . . . . . . . A 36 ILE CD1 . 34606 1 186 . 1 . 1 46 46 ILE N N 15 120.847 . . . . . . . A 36 ILE N . 34606 1 187 . 1 . 1 47 47 ASP H H 1 9.432 . . . . . . . A 37 ASP H . 34606 1 188 . 1 . 1 47 47 ASP HA H 1 4.601 . . . . . . . A 37 ASP HA . 34606 1 189 . 1 . 1 47 47 ASP HB2 H 1 2.580 . . . . . . . A 37 ASP HB2 . 34606 1 190 . 1 . 1 47 47 ASP CA C 13 52.989 . . . . . . . A 37 ASP CA . 34606 1 191 . 1 . 1 47 47 ASP CB C 13 42.297 . . . . . . . A 37 ASP CB . 34606 1 192 . 1 . 1 47 47 ASP N N 15 130.496 . . . . . . . A 37 ASP N . 34606 1 193 . 1 . 1 48 48 LYS H H 1 8.719 . . . . . . . A 38 LYS H . 34606 1 194 . 1 . 1 48 48 LYS HA H 1 4.036 . . . . . . . A 38 LYS HA . 34606 1 195 . 1 . 1 48 48 LYS HB2 H 1 1.922 . . . . . . . A 38 LYS HB2 . 34606 1 196 . 1 . 1 48 48 LYS HG2 H 1 1.483 . . . . . . . A 38 LYS HG2 . 34606 1 197 . 1 . 1 48 48 LYS HD2 H 1 1.618 . . . . . . . A 38 LYS HD2 . 34606 1 198 . 1 . 1 48 48 LYS CA C 13 58.870 . . . . . . . A 38 LYS CA . 34606 1 199 . 1 . 1 48 48 LYS CB C 13 32.304 . . . . . . . A 38 LYS CB . 34606 1 200 . 1 . 1 48 48 LYS CG C 13 24.740 . . . . . . . A 38 LYS CG . 34606 1 201 . 1 . 1 48 48 LYS CD C 13 29.552 . . . . . . . A 38 LYS CD . 34606 1 202 . 1 . 1 48 48 LYS CE C 13 42.286 . . . . . . . A 38 LYS CE . 34606 1 203 . 1 . 1 48 48 LYS N N 15 127.365 . . . . . . . A 38 LYS N . 34606 1 204 . 1 . 1 49 49 GLU H H 1 8.409 . . . . . . . A 39 GLU H . 34606 1 205 . 1 . 1 49 49 GLU CA C 13 56.988 . . . . . . . A 39 GLU CA . 34606 1 206 . 1 . 1 49 49 GLU CB C 13 29.830 . . . . . . . A 39 GLU CB . 34606 1 207 . 1 . 1 49 49 GLU CG C 13 36.918 . . . . . . . A 39 GLU CG . 34606 1 208 . 1 . 1 49 49 GLU N N 15 118.033 . . . . . . . A 39 GLU N . 34606 1 209 . 1 . 1 50 50 ASP H H 1 7.820 . . . . . . . A 40 ASP H . 34606 1 210 . 1 . 1 50 50 ASP CA C 13 53.647 . . . . . . . A 40 ASP CA . 34606 1 211 . 1 . 1 50 50 ASP CB C 13 40.974 . . . . . . . A 40 ASP CB . 34606 1 212 . 1 . 1 50 50 ASP N N 15 120.581 . . . . . . . A 40 ASP N . 34606 1 213 . 1 . 1 51 51 SER H H 1 8.477 . . . . . . . A 41 SER H . 34606 1 214 . 1 . 1 51 51 SER HA H 1 4.122 . . . . . . . A 41 SER HA . 34606 1 215 . 1 . 1 51 51 SER HB2 H 1 3.836 . . . . . . . A 41 SER HB2 . 34606 1 216 . 1 . 1 51 51 SER CA C 13 60.844 . . . . . . . A 41 SER CA . 34606 1 217 . 1 . 1 51 51 SER CB C 13 63.358 . . . . . . . A 41 SER CB . 34606 1 218 . 1 . 1 51 51 SER N N 15 117.527 . . . . . . . A 41 SER N . 34606 1 219 . 1 . 1 52 52 GLU H H 1 8.204 . . . . . . . A 42 GLU H . 34606 1 220 . 1 . 1 52 52 GLU HB2 H 1 2.166 . . . . . . . A 42 GLU HB2 . 34606 1 221 . 1 . 1 52 52 GLU HG2 H 1 2.168 . . . . . . . A 42 GLU HG2 . 34606 1 222 . 1 . 1 52 52 GLU CA C 13 56.870 . . . . . . . A 42 GLU CA . 34606 1 223 . 1 . 1 52 52 GLU CB C 13 29.641 . . . . . . . A 42 GLU CB . 34606 1 224 . 1 . 1 52 52 GLU CG C 13 36.862 . . . . . . . A 42 GLU CG . 34606 1 225 . 1 . 1 52 52 GLU N N 15 118.657 . . . . . . . A 42 GLU N . 34606 1 226 . 1 . 1 53 53 GLU H H 1 7.585 . . . . . . . A 43 GLU H . 34606 1 227 . 1 . 1 53 53 GLU HB2 H 1 2.054 . . . . . . . A 43 GLU HB2 . 34606 1 228 . 1 . 1 53 53 GLU HG2 H 1 2.190 . . . . . . . A 43 GLU HG2 . 34606 1 229 . 1 . 1 53 53 GLU CA C 13 55.282 . . . . . . . A 43 GLU CA . 34606 1 230 . 1 . 1 53 53 GLU CB C 13 30.308 . . . . . . . A 43 GLU CB . 34606 1 231 . 1 . 1 53 53 GLU CG C 13 35.684 . . . . . . . A 43 GLU CG . 34606 1 232 . 1 . 1 53 53 GLU N N 15 120.894 . . . . . . . A 43 GLU N . 34606 1 233 . 1 . 1 54 54 ILE H H 1 8.404 . . . . . . . A 44 ILE H . 34606 1 234 . 1 . 1 54 54 ILE HB H 1 1.767 . . . . . . . A 44 ILE HB . 34606 1 235 . 1 . 1 54 54 ILE HG12 H 1 1.521 . . . . . . . A 44 ILE HG12 . 34606 1 236 . 1 . 1 54 54 ILE CA C 13 61.574 . . . . . . . A 44 ILE CA . 34606 1 237 . 1 . 1 54 54 ILE CB C 13 38.874 . . . . . . . A 44 ILE CB . 34606 1 238 . 1 . 1 54 54 ILE CG1 C 13 27.836 . . . . . . . A 44 ILE CG1 . 34606 1 239 . 1 . 1 54 54 ILE CG2 C 13 17.751 . . . . . . . A 44 ILE CG2 . 34606 1 240 . 1 . 1 54 54 ILE CD1 C 13 13.068 . . . . . . . A 44 ILE CD1 . 34606 1 241 . 1 . 1 54 54 ILE N N 15 126.062 . . . . . . . A 44 ILE N . 34606 1 242 . 1 . 1 55 55 ILE H H 1 8.814 . . . . . . . A 45 ILE H . 34606 1 243 . 1 . 1 55 55 ILE HA H 1 4.103 . . . . . . . A 45 ILE HA . 34606 1 244 . 1 . 1 55 55 ILE HB H 1 2.130 . . . . . . . A 45 ILE HB . 34606 1 245 . 1 . 1 55 55 ILE HG21 H 1 0.781 . . . . . . . A 45 ILE HG21 . 34606 1 246 . 1 . 1 55 55 ILE HG22 H 1 0.781 . . . . . . . A 45 ILE HG22 . 34606 1 247 . 1 . 1 55 55 ILE HG23 H 1 0.781 . . . . . . . A 45 ILE HG23 . 34606 1 248 . 1 . 1 55 55 ILE HD11 H 1 0.938 . . . . . . . A 45 ILE HD11 . 34606 1 249 . 1 . 1 55 55 ILE HD12 H 1 0.938 . . . . . . . A 45 ILE HD12 . 34606 1 250 . 1 . 1 55 55 ILE HD13 H 1 0.938 . . . . . . . A 45 ILE HD13 . 34606 1 251 . 1 . 1 55 55 ILE CA C 13 61.394 . . . . . . . A 45 ILE CA . 34606 1 252 . 1 . 1 55 55 ILE CB C 13 38.507 . . . . . . . A 45 ILE CB . 34606 1 253 . 1 . 1 55 55 ILE CG1 C 13 27.583 . . . . . . . A 45 ILE CG1 . 34606 1 254 . 1 . 1 55 55 ILE CG2 C 13 17.750 . . . . . . . A 45 ILE CG2 . 34606 1 255 . 1 . 1 55 55 ILE CD1 C 13 14.059 . . . . . . . A 45 ILE CD1 . 34606 1 256 . 1 . 1 55 55 ILE N N 15 130.237 . . . . . . . A 45 ILE N . 34606 1 257 . 1 . 1 56 56 ARG H H 1 8.462 . . . . . . . A 46 ARG H . 34606 1 258 . 1 . 1 56 56 ARG HA H 1 4.658 . . . . . . . A 46 ARG HA . 34606 1 259 . 1 . 1 56 56 ARG HD2 H 1 3.173 . . . . . . . A 46 ARG HD2 . 34606 1 260 . 1 . 1 56 56 ARG CA C 13 55.386 . . . . . . . A 46 ARG CA . 34606 1 261 . 1 . 1 56 56 ARG CB C 13 29.760 . . . . . . . A 46 ARG CB . 34606 1 262 . 1 . 1 56 56 ARG CG C 13 27.614 . . . . . . . A 46 ARG CG . 34606 1 263 . 1 . 1 56 56 ARG CD C 13 43.119 . . . . . . . A 46 ARG CD . 34606 1 264 . 1 . 1 56 56 ARG N N 15 127.707 . . . . . . . A 46 ARG N . 34606 1 265 . 1 . 1 57 57 LEU H H 1 8.343 . . . . . . . A 47 LEU H . 34606 1 266 . 1 . 1 57 57 LEU HA H 1 4.356 . . . . . . . A 47 LEU HA . 34606 1 267 . 1 . 1 57 57 LEU HB2 H 1 1.487 . . . . . . . A 47 LEU HB2 . 34606 1 268 . 1 . 1 57 57 LEU HB3 H 1 1.416 . . . . . . . A 47 LEU HB3 . 34606 1 269 . 1 . 1 57 57 LEU HG H 1 0.532 . . . . . . . A 47 LEU HG . 34606 1 270 . 1 . 1 57 57 LEU HD11 H 1 0.550 . . . . . . . A 47 LEU HD11 . 34606 1 271 . 1 . 1 57 57 LEU HD12 H 1 0.550 . . . . . . . A 47 LEU HD12 . 34606 1 272 . 1 . 1 57 57 LEU HD13 H 1 0.550 . . . . . . . A 47 LEU HD13 . 34606 1 273 . 1 . 1 57 57 LEU CA C 13 53.987 . . . . . . . A 47 LEU CA . 34606 1 274 . 1 . 1 57 57 LEU CB C 13 44.985 . . . . . . . A 47 LEU CB . 34606 1 275 . 1 . 1 57 57 LEU CG C 13 26.488 . . . . . . . A 47 LEU CG . 34606 1 276 . 1 . 1 57 57 LEU CD1 C 13 23.711 . . . . . . . A 47 LEU CD1 . 34606 1 277 . 1 . 1 57 57 LEU N N 15 125.291 . . . . . . . A 47 LEU N . 34606 1 278 . 1 . 1 58 58 GLY H H 1 8.738 . . . . . . . A 48 GLY H . 34606 1 279 . 1 . 1 58 58 GLY HA2 H 1 4.091 . . . . . . . A 48 GLY HA2 . 34606 1 280 . 1 . 1 58 58 GLY CA C 13 44.900 . . . . . . . A 48 GLY CA . 34606 1 281 . 1 . 1 58 58 GLY N N 15 108.512 . . . . . . . A 48 GLY N . 34606 1 282 . 1 . 1 59 59 SER H H 1 8.555 . . . . . . . A 49 SER H . 34606 1 283 . 1 . 1 59 59 SER CA C 13 62.288 . . . . . . . A 49 SER CA . 34606 1 284 . 1 . 1 59 59 SER CB C 13 63.096 . . . . . . . A 49 SER CB . 34606 1 285 . 1 . 1 59 59 SER N N 15 116.668 . . . . . . . A 49 SER N . 34606 1 286 . 1 . 1 60 60 ASN H H 1 8.717 . . . . . . . A 50 ASN H . 34606 1 287 . 1 . 1 60 60 ASN CA C 13 56.201 . . . . . . . A 50 ASN CA . 34606 1 288 . 1 . 1 60 60 ASN CB C 13 36.752 . . . . . . . A 50 ASN CB . 34606 1 289 . 1 . 1 60 60 ASN N N 15 118.587 . . . . . . . A 50 ASN N . 34606 1 290 . 1 . 1 61 61 GLU H H 1 8.660 . . . . . . . A 51 GLU H . 34606 1 291 . 1 . 1 61 61 GLU HA H 1 3.593 . . . . . . . A 51 GLU HA . 34606 1 292 . 1 . 1 61 61 GLU HB2 H 1 2.182 . . . . . . . A 51 GLU HB2 . 34606 1 293 . 1 . 1 61 61 GLU HB3 H 1 1.612 . . . . . . . A 51 GLU HB3 . 34606 1 294 . 1 . 1 61 61 GLU HG2 H 1 2.249 . . . . . . . A 51 GLU HG2 . 34606 1 295 . 1 . 1 61 61 GLU HG3 H 1 2.380 . . . . . . . A 51 GLU HG3 . 34606 1 296 . 1 . 1 61 61 GLU CA C 13 62.252 . . . . . . . A 51 GLU CA . 34606 1 297 . 1 . 1 61 61 GLU CB C 13 29.030 . . . . . . . A 51 GLU CB . 34606 1 298 . 1 . 1 61 61 GLU CG C 13 38.549 . . . . . . . A 51 GLU CG . 34606 1 299 . 1 . 1 61 61 GLU N N 15 119.284 . . . . . . . A 51 GLU N . 34606 1 300 . 1 . 1 62 62 SER H H 1 8.286 . . . . . . . A 52 SER H . 34606 1 301 . 1 . 1 62 62 SER HA H 1 4.040 . . . . . . . A 52 SER HA . 34606 1 302 . 1 . 1 62 62 SER CA C 13 60.981 . . . . . . . A 52 SER CA . 34606 1 303 . 1 . 1 62 62 SER CB C 13 64.358 . . . . . . . A 52 SER CB . 34606 1 304 . 1 . 1 62 62 SER N N 15 111.650 . . . . . . . A 52 SER N . 34606 1 305 . 1 . 1 63 63 ARG H H 1 8.071 . . . . . . . A 53 ARG H . 34606 1 306 . 1 . 1 63 63 ARG HA H 1 4.426 . . . . . . . A 53 ARG HA . 34606 1 307 . 1 . 1 63 63 ARG CA C 13 61.131 . . . . . . . A 53 ARG CA . 34606 1 308 . 1 . 1 63 63 ARG CB C 13 30.738 . . . . . . . A 53 ARG CB . 34606 1 309 . 1 . 1 63 63 ARG CG C 13 29.898 . . . . . . . A 53 ARG CG . 34606 1 310 . 1 . 1 63 63 ARG CD C 13 43.176 . . . . . . . A 53 ARG CD . 34606 1 311 . 1 . 1 63 63 ARG N N 15 118.331 . . . . . . . A 53 ARG N . 34606 1 312 . 1 . 1 64 64 ILE H H 1 7.980 . . . . . . . A 54 ILE H . 34606 1 313 . 1 . 1 64 64 ILE HA H 1 3.365 . . . . . . . A 54 ILE HA . 34606 1 314 . 1 . 1 64 64 ILE HB H 1 1.742 . . . . . . . A 54 ILE HB . 34606 1 315 . 1 . 1 64 64 ILE HG12 H 1 0.679 . . . . . . . A 54 ILE HG12 . 34606 1 316 . 1 . 1 64 64 ILE HG21 H 1 0.544 . . . . . . . A 54 ILE HG21 . 34606 1 317 . 1 . 1 64 64 ILE HG22 H 1 0.544 . . . . . . . A 54 ILE HG22 . 34606 1 318 . 1 . 1 64 64 ILE HG23 H 1 0.544 . . . . . . . A 54 ILE HG23 . 34606 1 319 . 1 . 1 64 64 ILE HD11 H 1 0.680 . . . . . . . A 54 ILE HD11 . 34606 1 320 . 1 . 1 64 64 ILE HD12 H 1 0.680 . . . . . . . A 54 ILE HD12 . 34606 1 321 . 1 . 1 64 64 ILE HD13 H 1 0.680 . . . . . . . A 54 ILE HD13 . 34606 1 322 . 1 . 1 64 64 ILE CA C 13 65.680 . . . . . . . A 54 ILE CA . 34606 1 323 . 1 . 1 64 64 ILE CB C 13 38.389 . . . . . . . A 54 ILE CB . 34606 1 324 . 1 . 1 64 64 ILE CG1 C 13 30.522 . . . . . . . A 54 ILE CG1 . 34606 1 325 . 1 . 1 64 64 ILE CG2 C 13 17.033 . . . . . . . A 54 ILE CG2 . 34606 1 326 . 1 . 1 64 64 ILE CD1 C 13 15.884 . . . . . . . A 54 ILE CD1 . 34606 1 327 . 1 . 1 64 64 ILE N N 15 118.383 . . . . . . . A 54 ILE N . 34606 1 328 . 1 . 1 65 65 LEU H H 1 7.789 . . . . . . . A 55 LEU H . 34606 1 329 . 1 . 1 65 65 LEU HA H 1 3.736 . . . . . . . A 55 LEU HA . 34606 1 330 . 1 . 1 65 65 LEU HB2 H 1 1.022 . . . . . . . A 55 LEU HB2 . 34606 1 331 . 1 . 1 65 65 LEU HG H 1 0.859 . . . . . . . A 55 LEU HG . 34606 1 332 . 1 . 1 65 65 LEU HD11 H 1 -0.449 . . . . . . . A 55 LEU HD11 . 34606 1 333 . 1 . 1 65 65 LEU HD12 H 1 -0.449 . . . . . . . A 55 LEU HD12 . 34606 1 334 . 1 . 1 65 65 LEU HD13 H 1 -0.449 . . . . . . . A 55 LEU HD13 . 34606 1 335 . 1 . 1 65 65 LEU HD21 H 1 0.518 . . . . . . . A 55 LEU HD21 . 34606 1 336 . 1 . 1 65 65 LEU HD22 H 1 0.518 . . . . . . . A 55 LEU HD22 . 34606 1 337 . 1 . 1 65 65 LEU HD23 H 1 0.518 . . . . . . . A 55 LEU HD23 . 34606 1 338 . 1 . 1 65 65 LEU CA C 13 57.183 . . . . . . . A 55 LEU CA . 34606 1 339 . 1 . 1 65 65 LEU CB C 13 40.041 . . . . . . . A 55 LEU CB . 34606 1 340 . 1 . 1 65 65 LEU CG C 13 26.587 . . . . . . . A 55 LEU CG . 34606 1 341 . 1 . 1 65 65 LEU CD1 C 13 24.104 . . . . . . . A 55 LEU CD1 . 34606 1 342 . 1 . 1 65 65 LEU CD2 C 13 21.967 . . . . . . . A 55 LEU CD2 . 34606 1 343 . 1 . 1 65 65 LEU N N 15 118.420 . . . . . . . A 55 LEU N . 34606 1 344 . 1 . 1 66 66 TRP H H 1 8.839 . . . . . . . A 56 TRP H . 34606 1 345 . 1 . 1 66 66 TRP HA H 1 4.483 . . . . . . . A 56 TRP HA . 34606 1 346 . 1 . 1 66 66 TRP HB2 H 1 3.831 . . . . . . . A 56 TRP HB2 . 34606 1 347 . 1 . 1 66 66 TRP HB3 H 1 3.590 . . . . . . . A 56 TRP HB3 . 34606 1 348 . 1 . 1 66 66 TRP CA C 13 58.842 . . . . . . . A 56 TRP CA . 34606 1 349 . 1 . 1 66 66 TRP CB C 13 30.209 . . . . . . . A 56 TRP CB . 34606 1 350 . 1 . 1 66 66 TRP N N 15 117.867 . . . . . . . A 56 TRP N . 34606 1 351 . 1 . 1 67 67 LEU H H 1 7.943 . . . . . . . A 57 LEU H . 34606 1 352 . 1 . 1 67 67 LEU HA H 1 3.383 . . . . . . . A 57 LEU HA . 34606 1 353 . 1 . 1 67 67 LEU HB2 H 1 0.864 . . . . . . . A 57 LEU HB2 . 34606 1 354 . 1 . 1 67 67 LEU HB3 H 1 1.484 . . . . . . . A 57 LEU HB3 . 34606 1 355 . 1 . 1 67 67 LEU HG H 1 0.523 . . . . . . . A 57 LEU HG . 34606 1 356 . 1 . 1 67 67 LEU HD11 H 1 0.124 . . . . . . . A 57 LEU HD11 . 34606 1 357 . 1 . 1 67 67 LEU HD12 H 1 0.124 . . . . . . . A 57 LEU HD12 . 34606 1 358 . 1 . 1 67 67 LEU HD13 H 1 0.124 . . . . . . . A 57 LEU HD13 . 34606 1 359 . 1 . 1 67 67 LEU CA C 13 58.209 . . . . . . . A 57 LEU CA . 34606 1 360 . 1 . 1 67 67 LEU CB C 13 40.538 . . . . . . . A 57 LEU CB . 34606 1 361 . 1 . 1 67 67 LEU CG C 13 25.977 . . . . . . . A 57 LEU CG . 34606 1 362 . 1 . 1 67 67 LEU CD1 C 13 22.097 . . . . . . . A 57 LEU CD1 . 34606 1 363 . 1 . 1 67 67 LEU N N 15 119.734 . . . . . . . A 57 LEU N . 34606 1 364 . 1 . 1 68 68 LEU H H 1 7.761 . . . . . . . A 58 LEU H . 34606 1 365 . 1 . 1 68 68 LEU HA H 1 3.802 . . . . . . . A 58 LEU HA . 34606 1 366 . 1 . 1 68 68 LEU HB2 H 1 1.534 . . . . . . . A 58 LEU HB2 . 34606 1 367 . 1 . 1 68 68 LEU HD11 H 1 0.740 . . . . . . . A 58 LEU HD11 . 34606 1 368 . 1 . 1 68 68 LEU HD12 H 1 0.740 . . . . . . . A 58 LEU HD12 . 34606 1 369 . 1 . 1 68 68 LEU HD13 H 1 0.740 . . . . . . . A 58 LEU HD13 . 34606 1 370 . 1 . 1 68 68 LEU CA C 13 58.382 . . . . . . . A 58 LEU CA . 34606 1 371 . 1 . 1 68 68 LEU CB C 13 41.732 . . . . . . . A 58 LEU CB . 34606 1 372 . 1 . 1 68 68 LEU CG C 13 26.541 . . . . . . . A 58 LEU CG . 34606 1 373 . 1 . 1 68 68 LEU CD1 C 13 23.262 . . . . . . . A 58 LEU CD1 . 34606 1 374 . 1 . 1 68 68 LEU N N 15 115.176 . . . . . . . A 58 LEU N . 34606 1 375 . 1 . 1 69 69 ALA H H 1 8.330 . . . . . . . A 59 ALA H . 34606 1 376 . 1 . 1 69 69 ALA HA H 1 3.709 . . . . . . . A 59 ALA HA . 34606 1 377 . 1 . 1 69 69 ALA HB1 H 1 0.647 . . . . . . . A 59 ALA HB1 . 34606 1 378 . 1 . 1 69 69 ALA HB2 H 1 0.647 . . . . . . . A 59 ALA HB2 . 34606 1 379 . 1 . 1 69 69 ALA HB3 H 1 0.647 . . . . . . . A 59 ALA HB3 . 34606 1 380 . 1 . 1 69 69 ALA CA C 13 53.947 . . . . . . . A 59 ALA CA . 34606 1 381 . 1 . 1 69 69 ALA CB C 13 16.368 . . . . . . . A 59 ALA CB . 34606 1 382 . 1 . 1 69 69 ALA N N 15 116.994 . . . . . . . A 59 ALA N . 34606 1 383 . 1 . 1 70 70 GLN H H 1 7.536 . . . . . . . A 60 GLN H . 34606 1 384 . 1 . 1 70 70 GLN HA H 1 4.096 . . . . . . . A 60 GLN HA . 34606 1 385 . 1 . 1 70 70 GLN CA C 13 57.630 . . . . . . . A 60 GLN CA . 34606 1 386 . 1 . 1 70 70 GLN CB C 13 30.506 . . . . . . . A 60 GLN CB . 34606 1 387 . 1 . 1 70 70 GLN CG C 13 34.675 . . . . . . . A 60 GLN CG . 34606 1 388 . 1 . 1 70 70 GLN N N 15 114.283 . . . . . . . A 60 GLN N . 34606 1 389 . 1 . 1 71 71 ARG H H 1 7.188 . . . . . . . A 61 ARG H . 34606 1 390 . 1 . 1 71 71 ARG N N 15 119.532 . . . . . . . A 61 ARG N . 34606 1 391 . 1 . 1 72 72 PRO HA H 1 4.338 . . . . . . . A 62 PRO HA . 34606 1 392 . 1 . 1 72 72 PRO HB2 H 1 2.115 . . . . . . . A 62 PRO HB2 . 34606 1 393 . 1 . 1 72 72 PRO HB3 H 1 2.177 . . . . . . . A 62 PRO HB3 . 34606 1 394 . 1 . 1 72 72 PRO HG2 H 1 2.003 . . . . . . . A 62 PRO HG2 . 34606 1 395 . 1 . 1 72 72 PRO HD2 H 1 3.505 . . . . . . . A 62 PRO HD2 . 34606 1 396 . 1 . 1 72 72 PRO HD3 H 1 3.435 . . . . . . . A 62 PRO HD3 . 34606 1 397 . 1 . 1 72 72 PRO CA C 13 64.670 . . . . . . . A 62 PRO CA . 34606 1 398 . 1 . 1 72 72 PRO CB C 13 31.893 . . . . . . . A 62 PRO CB . 34606 1 399 . 1 . 1 72 72 PRO CG C 13 27.740 . . . . . . . A 62 PRO CG . 34606 1 400 . 1 . 1 72 72 PRO CD C 13 50.096 . . . . . . . A 62 PRO CD . 34606 1 401 . 1 . 1 73 73 ASN H H 1 8.453 . . . . . . . A 63 ASN H . 34606 1 402 . 1 . 1 73 73 ASN CA C 13 55.277 . . . . . . . A 63 ASN CA . 34606 1 403 . 1 . 1 73 73 ASN CB C 13 39.335 . . . . . . . A 63 ASN CB . 34606 1 404 . 1 . 1 73 73 ASN N N 15 116.854 . . . . . . . A 63 ASN N . 34606 1 405 . 1 . 1 74 74 GLU H H 1 7.855 . . . . . . . A 64 GLU H . 34606 1 406 . 1 . 1 74 74 GLU HG2 H 1 2.075 . . . . . . . A 64 GLU HG2 . 34606 1 407 . 1 . 1 74 74 GLU CA C 13 55.672 . . . . . . . A 64 GLU CA . 34606 1 408 . 1 . 1 74 74 GLU CB C 13 31.596 . . . . . . . A 64 GLU CB . 34606 1 409 . 1 . 1 74 74 GLU CG C 13 36.569 . . . . . . . A 64 GLU CG . 34606 1 410 . 1 . 1 74 74 GLU N N 15 120.453 . . . . . . . A 64 GLU N . 34606 1 411 . 1 . 1 75 75 VAL H H 1 8.632 . . . . . . . A 65 VAL H . 34606 1 412 . 1 . 1 75 75 VAL HA H 1 3.801 . . . . . . . A 65 VAL HA . 34606 1 413 . 1 . 1 75 75 VAL HB H 1 1.903 . . . . . . . A 65 VAL HB . 34606 1 414 . 1 . 1 75 75 VAL HG11 H 1 0.467 . . . . . . . A 65 VAL HG11 . 34606 1 415 . 1 . 1 75 75 VAL HG12 H 1 0.467 . . . . . . . A 65 VAL HG12 . 34606 1 416 . 1 . 1 75 75 VAL HG13 H 1 0.467 . . . . . . . A 65 VAL HG13 . 34606 1 417 . 1 . 1 75 75 VAL HG21 H 1 0.773 . . . . . . . A 65 VAL HG21 . 34606 1 418 . 1 . 1 75 75 VAL HG22 H 1 0.773 . . . . . . . A 65 VAL HG22 . 34606 1 419 . 1 . 1 75 75 VAL HG23 H 1 0.773 . . . . . . . A 65 VAL HG23 . 34606 1 420 . 1 . 1 75 75 VAL CA C 13 63.175 . . . . . . . A 65 VAL CA . 34606 1 421 . 1 . 1 75 75 VAL CB C 13 30.919 . . . . . . . A 65 VAL CB . 34606 1 422 . 1 . 1 75 75 VAL CG2 C 13 21.759 . . . . . . . A 65 VAL CG2 . 34606 1 423 . 1 . 1 75 75 VAL N N 15 122.299 . . . . . . . A 65 VAL N . 34606 1 424 . 1 . 1 76 76 ILE H H 1 9.211 . . . . . . . A 66 ILE H . 34606 1 425 . 1 . 1 76 76 ILE HA H 1 4.365 . . . . . . . A 66 ILE HA . 34606 1 426 . 1 . 1 76 76 ILE HB H 1 1.897 . . . . . . . A 66 ILE HB . 34606 1 427 . 1 . 1 76 76 ILE HG12 H 1 1.415 . . . . . . . A 66 ILE HG12 . 34606 1 428 . 1 . 1 76 76 ILE HG21 H 1 1.007 . . . . . . . A 66 ILE HG21 . 34606 1 429 . 1 . 1 76 76 ILE HG22 H 1 1.007 . . . . . . . A 66 ILE HG22 . 34606 1 430 . 1 . 1 76 76 ILE HG23 H 1 1.007 . . . . . . . A 66 ILE HG23 . 34606 1 431 . 1 . 1 76 76 ILE HD11 H 1 0.724 . . . . . . . A 66 ILE HD11 . 34606 1 432 . 1 . 1 76 76 ILE HD12 H 1 0.724 . . . . . . . A 66 ILE HD12 . 34606 1 433 . 1 . 1 76 76 ILE HD13 H 1 0.724 . . . . . . . A 66 ILE HD13 . 34606 1 434 . 1 . 1 76 76 ILE CA C 13 59.570 . . . . . . . A 66 ILE CA . 34606 1 435 . 1 . 1 76 76 ILE CB C 13 37.639 . . . . . . . A 66 ILE CB . 34606 1 436 . 1 . 1 76 76 ILE CG1 C 13 27.332 . . . . . . . A 66 ILE CG1 . 34606 1 437 . 1 . 1 76 76 ILE CG2 C 13 18.425 . . . . . . . A 66 ILE CG2 . 34606 1 438 . 1 . 1 76 76 ILE CD1 C 13 12.615 . . . . . . . A 66 ILE CD1 . 34606 1 439 . 1 . 1 76 76 ILE N N 15 132.738 . . . . . . . A 66 ILE N . 34606 1 440 . 1 . 1 77 77 SER H H 1 9.061 . . . . . . . A 67 SER H . 34606 1 441 . 1 . 1 77 77 SER HA H 1 4.755 . . . . . . . A 67 SER HA . 34606 1 442 . 1 . 1 77 77 SER CA C 13 57.658 . . . . . . . A 67 SER CA . 34606 1 443 . 1 . 1 77 77 SER CB C 13 65.442 . . . . . . . A 67 SER CB . 34606 1 444 . 1 . 1 77 77 SER N N 15 123.230 . . . . . . . A 67 SER N . 34606 1 445 . 1 . 1 78 78 ARG H H 1 8.506 . . . . . . . A 68 ARG H . 34606 1 446 . 1 . 1 78 78 ARG HA H 1 3.874 . . . . . . . A 68 ARG HA . 34606 1 447 . 1 . 1 78 78 ARG HD2 H 1 3.292 . . . . . . . A 68 ARG HD2 . 34606 1 448 . 1 . 1 78 78 ARG CA C 13 60.774 . . . . . . . A 68 ARG CA . 34606 1 449 . 1 . 1 78 78 ARG CB C 13 29.147 . . . . . . . A 68 ARG CB . 34606 1 450 . 1 . 1 78 78 ARG CG C 13 30.010 . . . . . . . A 68 ARG CG . 34606 1 451 . 1 . 1 78 78 ARG CD C 13 43.256 . . . . . . . A 68 ARG CD . 34606 1 452 . 1 . 1 78 78 ARG N N 15 119.283 . . . . . . . A 68 ARG N . 34606 1 453 . 1 . 1 79 79 ASN H H 1 8.314 . . . . . . . A 69 ASN H . 34606 1 454 . 1 . 1 79 79 ASN HA H 1 4.432 . . . . . . . A 69 ASN HA . 34606 1 455 . 1 . 1 79 79 ASN HB2 H 1 2.897 . . . . . . . A 69 ASN HB2 . 34606 1 456 . 1 . 1 79 79 ASN HB3 H 1 2.701 . . . . . . . A 69 ASN HB3 . 34606 1 457 . 1 . 1 79 79 ASN CA C 13 56.835 . . . . . . . A 69 ASN CA . 34606 1 458 . 1 . 1 79 79 ASN CB C 13 38.347 . . . . . . . A 69 ASN CB . 34606 1 459 . 1 . 1 79 79 ASN N N 15 115.485 . . . . . . . A 69 ASN N . 34606 1 460 . 1 . 1 80 80 ASP H H 1 7.975 . . . . . . . A 70 ASP H . 34606 1 461 . 1 . 1 80 80 ASP HA H 1 4.178 . . . . . . . A 70 ASP HA . 34606 1 462 . 1 . 1 80 80 ASP HB2 H 1 3.174 . . . . . . . A 70 ASP HB2 . 34606 1 463 . 1 . 1 80 80 ASP HB3 H 1 3.146 . . . . . . . A 70 ASP HB3 . 34606 1 464 . 1 . 1 80 80 ASP CA C 13 57.792 . . . . . . . A 70 ASP CA . 34606 1 465 . 1 . 1 80 80 ASP CB C 13 40.156 . . . . . . . A 70 ASP CB . 34606 1 466 . 1 . 1 80 80 ASP N N 15 121.085 . . . . . . . A 70 ASP N . 34606 1 467 . 1 . 1 81 81 LEU H H 1 7.964 . . . . . . . A 71 LEU H . 34606 1 468 . 1 . 1 81 81 LEU HA H 1 4.055 . . . . . . . A 71 LEU HA . 34606 1 469 . 1 . 1 81 81 LEU HB2 H 1 2.127 . . . . . . . A 71 LEU HB2 . 34606 1 470 . 1 . 1 81 81 LEU HB3 H 1 1.382 . . . . . . . A 71 LEU HB3 . 34606 1 471 . 1 . 1 81 81 LEU HG H 1 0.949 . . . . . . . A 71 LEU HG . 34606 1 472 . 1 . 1 81 81 LEU CA C 13 58.831 . . . . . . . A 71 LEU CA . 34606 1 473 . 1 . 1 81 81 LEU CB C 13 42.841 . . . . . . . A 71 LEU CB . 34606 1 474 . 1 . 1 81 81 LEU CG C 13 26.997 . . . . . . . A 71 LEU CG . 34606 1 475 . 1 . 1 81 81 LEU CD1 C 13 25.947 . . . . . . . A 71 LEU CD1 . 34606 1 476 . 1 . 1 81 81 LEU N N 15 121.166 . . . . . . . A 71 LEU N . 34606 1 477 . 1 . 1 82 82 HIS H H 1 9.021 . . . . . . . A 72 HIS H . 34606 1 478 . 1 . 1 82 82 HIS HA H 1 4.657 . . . . . . . A 72 HIS HA . 34606 1 479 . 1 . 1 82 82 HIS HB2 H 1 3.503 . . . . . . . A 72 HIS HB2 . 34606 1 480 . 1 . 1 82 82 HIS HB3 H 1 3.296 . . . . . . . A 72 HIS HB3 . 34606 1 481 . 1 . 1 82 82 HIS CA C 13 60.099 . . . . . . . A 72 HIS CA . 34606 1 482 . 1 . 1 82 82 HIS CB C 13 30.537 . . . . . . . A 72 HIS CB . 34606 1 483 . 1 . 1 82 82 HIS N N 15 119.056 . . . . . . . A 72 HIS N . 34606 1 484 . 1 . 1 83 83 ASP H H 1 8.469 . . . . . . . A 73 ASP H . 34606 1 485 . 1 . 1 83 83 ASP HB2 H 1 2.904 . . . . . . . A 73 ASP HB2 . 34606 1 486 . 1 . 1 83 83 ASP CA C 13 57.601 . . . . . . . A 73 ASP CA . 34606 1 487 . 1 . 1 83 83 ASP CB C 13 40.851 . . . . . . . A 73 ASP CB . 34606 1 488 . 1 . 1 83 83 ASP N N 15 119.037 . . . . . . . A 73 ASP N . 34606 1 489 . 1 . 1 84 84 PHE H H 1 7.941 . . . . . . . A 74 PHE H . 34606 1 490 . 1 . 1 84 84 PHE HA H 1 4.293 . . . . . . . A 74 PHE HA . 34606 1 491 . 1 . 1 84 84 PHE HB2 H 1 2.803 . . . . . . . A 74 PHE HB2 . 34606 1 492 . 1 . 1 84 84 PHE CA C 13 61.145 . . . . . . . A 74 PHE CA . 34606 1 493 . 1 . 1 84 84 PHE CB C 13 41.459 . . . . . . . A 74 PHE CB . 34606 1 494 . 1 . 1 84 84 PHE N N 15 118.016 . . . . . . . A 74 PHE N . 34606 1 495 . 1 . 1 85 85 VAL H H 1 8.461 . . . . . . . A 75 VAL H . 34606 1 496 . 1 . 1 85 85 VAL HA H 1 3.160 . . . . . . . A 75 VAL HA . 34606 1 497 . 1 . 1 85 85 VAL HB H 1 1.812 . . . . . . . A 75 VAL HB . 34606 1 498 . 1 . 1 85 85 VAL HG11 H 1 -0.301 . . . . . . . A 75 VAL HG11 . 34606 1 499 . 1 . 1 85 85 VAL HG12 H 1 -0.301 . . . . . . . A 75 VAL HG12 . 34606 1 500 . 1 . 1 85 85 VAL HG13 H 1 -0.301 . . . . . . . A 75 VAL HG13 . 34606 1 501 . 1 . 1 85 85 VAL HG21 H 1 0.884 . . . . . . . A 75 VAL HG21 . 34606 1 502 . 1 . 1 85 85 VAL HG22 H 1 0.884 . . . . . . . A 75 VAL HG22 . 34606 1 503 . 1 . 1 85 85 VAL HG23 H 1 0.884 . . . . . . . A 75 VAL HG23 . 34606 1 504 . 1 . 1 85 85 VAL CA C 13 65.891 . . . . . . . A 75 VAL CA . 34606 1 505 . 1 . 1 85 85 VAL CB C 13 31.725 . . . . . . . A 75 VAL CB . 34606 1 506 . 1 . 1 85 85 VAL CG1 C 13 20.127 . . . . . . . A 75 VAL CG1 . 34606 1 507 . 1 . 1 85 85 VAL CG2 C 13 23.250 . . . . . . . A 75 VAL CG2 . 34606 1 508 . 1 . 1 85 85 VAL N N 15 116.559 . . . . . . . A 75 VAL N . 34606 1 509 . 1 . 1 86 86 TRP H H 1 7.516 . . . . . . . A 76 TRP H . 34606 1 510 . 1 . 1 86 86 TRP N N 15 116.904 . . . . . . . A 76 TRP N . 34606 1 511 . 1 . 1 89 89 GLN HA H 1 4.305 . . . . . . . A 79 GLN HA . 34606 1 512 . 1 . 1 89 89 GLN HB2 H 1 1.827 . . . . . . . A 79 GLN HB2 . 34606 1 513 . 1 . 1 89 89 GLN CA C 13 55.452 . . . . . . . A 79 GLN CA . 34606 1 514 . 1 . 1 89 89 GLN CB C 13 34.351 . . . . . . . A 79 GLN CB . 34606 1 515 . 1 . 1 89 89 GLN CG C 13 30.325 . . . . . . . A 79 GLN CG . 34606 1 516 . 1 . 1 90 90 GLY H H 1 7.893 . . . . . . . A 80 GLY H . 34606 1 517 . 1 . 1 90 90 GLY CA C 13 45.479 . . . . . . . A 80 GLY CA . 34606 1 518 . 1 . 1 90 90 GLY N N 15 106.975 . . . . . . . A 80 GLY N . 34606 1 519 . 1 . 1 91 91 PHE H H 1 7.750 . . . . . . . A 81 PHE H . 34606 1 520 . 1 . 1 91 91 PHE HA H 1 4.892 . . . . . . . A 81 PHE HA . 34606 1 521 . 1 . 1 91 91 PHE HB2 H 1 3.360 . . . . . . . A 81 PHE HB2 . 34606 1 522 . 1 . 1 91 91 PHE HB3 H 1 2.999 . . . . . . . A 81 PHE HB3 . 34606 1 523 . 1 . 1 91 91 PHE CA C 13 56.075 . . . . . . . A 81 PHE CA . 34606 1 524 . 1 . 1 91 91 PHE CB C 13 41.045 . . . . . . . A 81 PHE CB . 34606 1 525 . 1 . 1 91 91 PHE N N 15 118.667 . . . . . . . A 81 PHE N . 34606 1 526 . 1 . 1 92 92 GLU H H 1 8.344 . . . . . . . A 82 GLU H . 34606 1 527 . 1 . 1 92 92 GLU HG2 H 1 2.145 . . . . . . . A 82 GLU HG2 . 34606 1 528 . 1 . 1 92 92 GLU CA C 13 55.991 . . . . . . . A 82 GLU CA . 34606 1 529 . 1 . 1 92 92 GLU CB C 13 30.702 . . . . . . . A 82 GLU CB . 34606 1 530 . 1 . 1 92 92 GLU CG C 13 36.269 . . . . . . . A 82 GLU CG . 34606 1 531 . 1 . 1 92 92 GLU N N 15 121.166 . . . . . . . A 82 GLU N . 34606 1 532 . 1 . 1 93 93 VAL H H 1 8.163 . . . . . . . A 83 VAL H . 34606 1 533 . 1 . 1 93 93 VAL HA H 1 3.880 . . . . . . . A 83 VAL HA . 34606 1 534 . 1 . 1 93 93 VAL HB H 1 1.582 . . . . . . . A 83 VAL HB . 34606 1 535 . 1 . 1 93 93 VAL HG11 H 1 0.335 . . . . . . . A 83 VAL HG11 . 34606 1 536 . 1 . 1 93 93 VAL HG12 H 1 0.335 . . . . . . . A 83 VAL HG12 . 34606 1 537 . 1 . 1 93 93 VAL HG13 H 1 0.335 . . . . . . . A 83 VAL HG13 . 34606 1 538 . 1 . 1 93 93 VAL CA C 13 61.186 . . . . . . . A 83 VAL CA . 34606 1 539 . 1 . 1 93 93 VAL CB C 13 33.524 . . . . . . . A 83 VAL CB . 34606 1 540 . 1 . 1 93 93 VAL CG1 C 13 20.382 . . . . . . . A 83 VAL CG1 . 34606 1 541 . 1 . 1 93 93 VAL N N 15 120.808 . . . . . . . A 83 VAL N . 34606 1 542 . 1 . 1 94 94 ASP H H 1 7.755 . . . . . . . A 84 ASP H . 34606 1 543 . 1 . 1 94 94 ASP CA C 13 53.078 . . . . . . . A 84 ASP CA . 34606 1 544 . 1 . 1 94 94 ASP CB C 13 42.341 . . . . . . . A 84 ASP CB . 34606 1 545 . 1 . 1 94 94 ASP N N 15 123.835 . . . . . . . A 84 ASP N . 34606 1 546 . 1 . 1 95 95 ASP H H 1 8.573 . . . . . . . A 85 ASP H . 34606 1 547 . 1 . 1 95 95 ASP HA H 1 4.415 . . . . . . . A 85 ASP HA . 34606 1 548 . 1 . 1 95 95 ASP HB2 H 1 2.685 . . . . . . . A 85 ASP HB2 . 34606 1 549 . 1 . 1 95 95 ASP HB3 H 1 2.646 . . . . . . . A 85 ASP HB3 . 34606 1 550 . 1 . 1 95 95 ASP CA C 13 57.617 . . . . . . . A 85 ASP CA . 34606 1 551 . 1 . 1 95 95 ASP CB C 13 41.458 . . . . . . . A 85 ASP CB . 34606 1 552 . 1 . 1 95 95 ASP N N 15 121.343 . . . . . . . A 85 ASP N . 34606 1 553 . 1 . 1 96 96 SER H H 1 8.623 . . . . . . . A 86 SER H . 34606 1 554 . 1 . 1 96 96 SER N N 15 115.027 . . . . . . . A 86 SER N . 34606 1 555 . 1 . 1 98 98 LEU HA H 1 4.327 . . . . . . . A 88 LEU HA . 34606 1 556 . 1 . 1 98 98 LEU HB2 H 1 2.064 . . . . . . . A 88 LEU HB2 . 34606 1 557 . 1 . 1 98 98 LEU HB3 H 1 1.611 . . . . . . . A 88 LEU HB3 . 34606 1 558 . 1 . 1 98 98 LEU HG H 1 1.000 . . . . . . . A 88 LEU HG . 34606 1 559 . 1 . 1 98 98 LEU HD11 H 1 1.004 . . . . . . . A 88 LEU HD11 . 34606 1 560 . 1 . 1 98 98 LEU HD12 H 1 1.004 . . . . . . . A 88 LEU HD12 . 34606 1 561 . 1 . 1 98 98 LEU HD13 H 1 1.004 . . . . . . . A 88 LEU HD13 . 34606 1 562 . 1 . 1 98 98 LEU CA C 13 58.614 . . . . . . . A 88 LEU CA . 34606 1 563 . 1 . 1 98 98 LEU CB C 13 41.070 . . . . . . . A 88 LEU CB . 34606 1 564 . 1 . 1 98 98 LEU CG C 13 26.660 . . . . . . . A 88 LEU CG . 34606 1 565 . 1 . 1 98 98 LEU CD1 C 13 24.302 . . . . . . . A 88 LEU CD1 . 34606 1 566 . 1 . 1 99 99 THR H H 1 7.990 . . . . . . . A 89 THR H . 34606 1 567 . 1 . 1 99 99 THR HA H 1 3.780 . . . . . . . A 89 THR HA . 34606 1 568 . 1 . 1 99 99 THR HB H 1 4.294 . . . . . . . A 89 THR HB . 34606 1 569 . 1 . 1 99 99 THR HG21 H 1 1.301 . . . . . . . A 89 THR HG21 . 34606 1 570 . 1 . 1 99 99 THR HG22 H 1 1.301 . . . . . . . A 89 THR HG22 . 34606 1 571 . 1 . 1 99 99 THR HG23 H 1 1.301 . . . . . . . A 89 THR HG23 . 34606 1 572 . 1 . 1 99 99 THR CA C 13 66.718 . . . . . . . A 89 THR CA . 34606 1 573 . 1 . 1 99 99 THR CB C 13 68.886 . . . . . . . A 89 THR CB . 34606 1 574 . 1 . 1 99 99 THR CG2 C 13 22.430 . . . . . . . A 89 THR CG2 . 34606 1 575 . 1 . 1 99 99 THR N N 15 115.484 . . . . . . . A 89 THR N . 34606 1 576 . 1 . 1 100 100 GLN H H 1 8.081 . . . . . . . A 90 GLN H . 34606 1 577 . 1 . 1 100 100 GLN HA H 1 4.124 . . . . . . . A 90 GLN HA . 34606 1 578 . 1 . 1 100 100 GLN HB2 H 1 2.160 . . . . . . . A 90 GLN HB2 . 34606 1 579 . 1 . 1 100 100 GLN HG2 H 1 2.424 . . . . . . . A 90 GLN HG2 . 34606 1 580 . 1 . 1 100 100 GLN HG3 H 1 2.469 . . . . . . . A 90 GLN HG3 . 34606 1 581 . 1 . 1 100 100 GLN CA C 13 58.967 . . . . . . . A 90 GLN CA . 34606 1 582 . 1 . 1 100 100 GLN CB C 13 28.607 . . . . . . . A 90 GLN CB . 34606 1 583 . 1 . 1 100 100 GLN CG C 13 33.961 . . . . . . . A 90 GLN CG . 34606 1 584 . 1 . 1 100 100 GLN N N 15 121.084 . . . . . . . A 90 GLN N . 34606 1 585 . 1 . 1 101 101 ALA H H 1 7.929 . . . . . . . A 91 ALA H . 34606 1 586 . 1 . 1 101 101 ALA HA H 1 4.484 . . . . . . . A 91 ALA HA . 34606 1 587 . 1 . 1 101 101 ALA HB1 H 1 1.535 . . . . . . . A 91 ALA HB1 . 34606 1 588 . 1 . 1 101 101 ALA HB2 H 1 1.535 . . . . . . . A 91 ALA HB2 . 34606 1 589 . 1 . 1 101 101 ALA HB3 H 1 1.535 . . . . . . . A 91 ALA HB3 . 34606 1 590 . 1 . 1 101 101 ALA CA C 13 55.079 . . . . . . . A 91 ALA CA . 34606 1 591 . 1 . 1 101 101 ALA CB C 13 19.198 . . . . . . . A 91 ALA CB . 34606 1 592 . 1 . 1 101 101 ALA N N 15 123.428 . . . . . . . A 91 ALA N . 34606 1 593 . 1 . 1 102 102 ILE H H 1 8.175 . . . . . . . A 92 ILE H . 34606 1 594 . 1 . 1 102 102 ILE HA H 1 3.552 . . . . . . . A 92 ILE HA . 34606 1 595 . 1 . 1 102 102 ILE HB H 1 1.964 . . . . . . . A 92 ILE HB . 34606 1 596 . 1 . 1 102 102 ILE HG12 H 1 1.132 . . . . . . . A 92 ILE HG12 . 34606 1 597 . 1 . 1 102 102 ILE HG13 H 1 0.599 . . . . . . . A 92 ILE HG13 . 34606 1 598 . 1 . 1 102 102 ILE HG21 H 1 0.569 . . . . . . . A 92 ILE HG21 . 34606 1 599 . 1 . 1 102 102 ILE HG22 H 1 0.569 . . . . . . . A 92 ILE HG22 . 34606 1 600 . 1 . 1 102 102 ILE HG23 H 1 0.569 . . . . . . . A 92 ILE HG23 . 34606 1 601 . 1 . 1 102 102 ILE HD11 H 1 -0.060 . . . . . . . A 92 ILE HD11 . 34606 1 602 . 1 . 1 102 102 ILE HD12 H 1 -0.060 . . . . . . . A 92 ILE HD12 . 34606 1 603 . 1 . 1 102 102 ILE HD13 H 1 -0.060 . . . . . . . A 92 ILE HD13 . 34606 1 604 . 1 . 1 102 102 ILE CA C 13 62.790 . . . . . . . A 92 ILE CA . 34606 1 605 . 1 . 1 102 102 ILE CB C 13 35.192 . . . . . . . A 92 ILE CB . 34606 1 606 . 1 . 1 102 102 ILE CG1 C 13 26.587 . . . . . . . A 92 ILE CG1 . 34606 1 607 . 1 . 1 102 102 ILE CG2 C 13 16.291 . . . . . . . A 92 ILE CG2 . 34606 1 608 . 1 . 1 102 102 ILE CD1 C 13 9.445 . . . . . . . A 92 ILE CD1 . 34606 1 609 . 1 . 1 102 102 ILE N N 15 118.530 . . . . . . . A 92 ILE N . 34606 1 610 . 1 . 1 103 103 SER H H 1 7.737 . . . . . . . A 93 SER H . 34606 1 611 . 1 . 1 103 103 SER CA C 13 62.413 . . . . . . . A 93 SER CA . 34606 1 612 . 1 . 1 103 103 SER N N 15 115.741 . . . . . . . A 93 SER N . 34606 1 613 . 1 . 1 104 104 THR H H 1 8.396 . . . . . . . A 94 THR H . 34606 1 614 . 1 . 1 104 104 THR HA H 1 3.841 . . . . . . . A 94 THR HA . 34606 1 615 . 1 . 1 104 104 THR HB H 1 4.390 . . . . . . . A 94 THR HB . 34606 1 616 . 1 . 1 104 104 THR CA C 13 66.912 . . . . . . . A 94 THR CA . 34606 1 617 . 1 . 1 104 104 THR CB C 13 68.189 . . . . . . . A 94 THR CB . 34606 1 618 . 1 . 1 104 104 THR CG2 C 13 22.400 . . . . . . . A 94 THR CG2 . 34606 1 619 . 1 . 1 104 104 THR N N 15 120.454 . . . . . . . A 94 THR N . 34606 1 620 . 1 . 1 105 105 LEU H H 1 8.510 . . . . . . . A 95 LEU H . 34606 1 621 . 1 . 1 105 105 LEU HA H 1 3.707 . . . . . . . A 95 LEU HA . 34606 1 622 . 1 . 1 105 105 LEU HD11 H 1 0.648 . . . . . . . A 95 LEU HD11 . 34606 1 623 . 1 . 1 105 105 LEU HD12 H 1 0.648 . . . . . . . A 95 LEU HD12 . 34606 1 624 . 1 . 1 105 105 LEU HD13 H 1 0.648 . . . . . . . A 95 LEU HD13 . 34606 1 625 . 1 . 1 105 105 LEU HD21 H 1 0.641 . . . . . . . A 95 LEU HD21 . 34606 1 626 . 1 . 1 105 105 LEU HD22 H 1 0.641 . . . . . . . A 95 LEU HD22 . 34606 1 627 . 1 . 1 105 105 LEU HD23 H 1 0.641 . . . . . . . A 95 LEU HD23 . 34606 1 628 . 1 . 1 105 105 LEU CA C 13 58.582 . . . . . . . A 95 LEU CA . 34606 1 629 . 1 . 1 105 105 LEU CB C 13 42.254 . . . . . . . A 95 LEU CB . 34606 1 630 . 1 . 1 105 105 LEU CG C 13 27.245 . . . . . . . A 95 LEU CG . 34606 1 631 . 1 . 1 105 105 LEU CD1 C 13 23.723 . . . . . . . A 95 LEU CD1 . 34606 1 632 . 1 . 1 105 105 LEU CD2 C 13 25.370 . . . . . . . A 95 LEU CD2 . 34606 1 633 . 1 . 1 105 105 LEU N N 15 123.085 . . . . . . . A 95 LEU N . 34606 1 634 . 1 . 1 106 106 ARG H H 1 8.384 . . . . . . . A 96 ARG H . 34606 1 635 . 1 . 1 106 106 ARG HA H 1 3.675 . . . . . . . A 96 ARG HA . 34606 1 636 . 1 . 1 106 106 ARG HB2 H 1 1.569 . . . . . . . A 96 ARG HB2 . 34606 1 637 . 1 . 1 106 106 ARG HD2 H 1 3.037 . . . . . . . A 96 ARG HD2 . 34606 1 638 . 1 . 1 106 106 ARG CA C 13 61.387 . . . . . . . A 96 ARG CA . 34606 1 639 . 1 . 1 106 106 ARG CB C 13 30.063 . . . . . . . A 96 ARG CB . 34606 1 640 . 1 . 1 106 106 ARG CD C 13 43.934 . . . . . . . A 96 ARG CD . 34606 1 641 . 1 . 1 106 106 ARG N N 15 115.877 . . . . . . . A 96 ARG N . 34606 1 642 . 1 . 1 107 107 LYS H H 1 7.694 . . . . . . . A 97 LYS H . 34606 1 643 . 1 . 1 107 107 LYS HA H 1 4.094 . . . . . . . A 97 LYS HA . 34606 1 644 . 1 . 1 107 107 LYS HB2 H 1 1.996 . . . . . . . A 97 LYS HB2 . 34606 1 645 . 1 . 1 107 107 LYS HG2 H 1 1.579 . . . . . . . A 97 LYS HG2 . 34606 1 646 . 1 . 1 107 107 LYS HD2 H 1 1.671 . . . . . . . A 97 LYS HD2 . 34606 1 647 . 1 . 1 107 107 LYS CA C 13 59.661 . . . . . . . A 97 LYS CA . 34606 1 648 . 1 . 1 107 107 LYS CB C 13 32.180 . . . . . . . A 97 LYS CB . 34606 1 649 . 1 . 1 107 107 LYS CG C 13 25.243 . . . . . . . A 97 LYS CG . 34606 1 650 . 1 . 1 107 107 LYS CD C 13 29.581 . . . . . . . A 97 LYS CD . 34606 1 651 . 1 . 1 107 107 LYS CE C 13 42.289 . . . . . . . A 97 LYS CE . 34606 1 652 . 1 . 1 107 107 LYS N N 15 118.811 . . . . . . . A 97 LYS N . 34606 1 653 . 1 . 1 108 108 MET H H 1 8.157 . . . . . . . A 98 MET H . 34606 1 654 . 1 . 1 108 108 MET HA H 1 4.173 . . . . . . . A 98 MET HA . 34606 1 655 . 1 . 1 108 108 MET HB2 H 1 2.677 . . . . . . . A 98 MET HB2 . 34606 1 656 . 1 . 1 108 108 MET HB3 H 1 2.579 . . . . . . . A 98 MET HB3 . 34606 1 657 . 1 . 1 108 108 MET CA C 13 57.796 . . . . . . . A 98 MET CA . 34606 1 658 . 1 . 1 108 108 MET CB C 13 32.538 . . . . . . . A 98 MET CB . 34606 1 659 . 1 . 1 108 108 MET N N 15 119.920 . . . . . . . A 98 MET N . 34606 1 660 . 1 . 1 109 109 LEU H H 1 7.323 . . . . . . . A 99 LEU H . 34606 1 661 . 1 . 1 109 109 LEU HA H 1 3.500 . . . . . . . A 99 LEU HA . 34606 1 662 . 1 . 1 109 109 LEU HB2 H 1 1.159 . . . . . . . A 99 LEU HB2 . 34606 1 663 . 1 . 1 109 109 LEU HB3 H 1 0.773 . . . . . . . A 99 LEU HB3 . 34606 1 664 . 1 . 1 109 109 LEU HG H 1 0.238 . . . . . . . A 99 LEU HG . 34606 1 665 . 1 . 1 109 109 LEU HD11 H 1 -0.417 . . . . . . . A 99 LEU HD11 . 34606 1 666 . 1 . 1 109 109 LEU HD12 H 1 -0.417 . . . . . . . A 99 LEU HD12 . 34606 1 667 . 1 . 1 109 109 LEU HD13 H 1 -0.417 . . . . . . . A 99 LEU HD13 . 34606 1 668 . 1 . 1 109 109 LEU CA C 13 54.369 . . . . . . . A 99 LEU CA . 34606 1 669 . 1 . 1 109 109 LEU CB C 13 41.785 . . . . . . . A 99 LEU CB . 34606 1 670 . 1 . 1 109 109 LEU CG C 13 25.193 . . . . . . . A 99 LEU CG . 34606 1 671 . 1 . 1 109 109 LEU CD1 C 13 21.924 . . . . . . . A 99 LEU CD1 . 34606 1 672 . 1 . 1 109 109 LEU N N 15 115.645 . . . . . . . A 99 LEU N . 34606 1 673 . 1 . 1 110 110 LYS H H 1 7.522 . . . . . . . A 100 LYS H . 34606 1 674 . 1 . 1 110 110 LYS HA H 1 3.805 . . . . . . . A 100 LYS HA . 34606 1 675 . 1 . 1 110 110 LYS HG2 H 1 1.442 . . . . . . . A 100 LYS HG2 . 34606 1 676 . 1 . 1 110 110 LYS CA C 13 57.357 . . . . . . . A 100 LYS CA . 34606 1 677 . 1 . 1 110 110 LYS CB C 13 29.218 . . . . . . . A 100 LYS CB . 34606 1 678 . 1 . 1 110 110 LYS CG C 13 25.532 . . . . . . . A 100 LYS CG . 34606 1 679 . 1 . 1 110 110 LYS CE C 13 42.683 . . . . . . . A 100 LYS CE . 34606 1 680 . 1 . 1 110 110 LYS N N 15 113.639 . . . . . . . A 100 LYS N . 34606 1 681 . 1 . 1 111 111 ASP H H 1 8.499 . . . . . . . A 101 ASP H . 34606 1 682 . 1 . 1 111 111 ASP HA H 1 4.936 . . . . . . . A 101 ASP HA . 34606 1 683 . 1 . 1 111 111 ASP HB2 H 1 2.667 . . . . . . . A 101 ASP HB2 . 34606 1 684 . 1 . 1 111 111 ASP CA C 13 52.833 . . . . . . . A 101 ASP CA . 34606 1 685 . 1 . 1 111 111 ASP CB C 13 43.911 . . . . . . . A 101 ASP CB . 34606 1 686 . 1 . 1 111 111 ASP N N 15 118.408 . . . . . . . A 101 ASP N . 34606 1 687 . 1 . 1 112 112 SER H H 1 8.458 . . . . . . . A 102 SER H . 34606 1 688 . 1 . 1 112 112 SER CA C 13 64.616 . . . . . . . A 102 SER CA . 34606 1 689 . 1 . 1 112 112 SER N N 15 116.926 . . . . . . . A 102 SER N . 34606 1 690 . 1 . 1 113 113 THR H H 1 8.491 . . . . . . . A 103 THR H . 34606 1 691 . 1 . 1 113 113 THR HA H 1 4.088 . . . . . . . A 103 THR HA . 34606 1 692 . 1 . 1 113 113 THR HB H 1 4.280 . . . . . . . A 103 THR HB . 34606 1 693 . 1 . 1 113 113 THR HG21 H 1 1.238 . . . . . . . A 103 THR HG21 . 34606 1 694 . 1 . 1 113 113 THR HG22 H 1 1.238 . . . . . . . A 103 THR HG22 . 34606 1 695 . 1 . 1 113 113 THR HG23 H 1 1.238 . . . . . . . A 103 THR HG23 . 34606 1 696 . 1 . 1 113 113 THR CA C 13 63.852 . . . . . . . A 103 THR CA . 34606 1 697 . 1 . 1 113 113 THR CB C 13 68.981 . . . . . . . A 103 THR CB . 34606 1 698 . 1 . 1 113 113 THR CG2 C 13 22.174 . . . . . . . A 103 THR CG2 . 34606 1 699 . 1 . 1 113 113 THR N N 15 117.975 . . . . . . . A 103 THR N . 34606 1 700 . 1 . 1 114 114 LYS H H 1 8.122 . . . . . . . A 104 LYS H . 34606 1 701 . 1 . 1 114 114 LYS HA H 1 4.199 . . . . . . . A 104 LYS HA . 34606 1 702 . 1 . 1 114 114 LYS HB2 H 1 1.755 . . . . . . . A 104 LYS HB2 . 34606 1 703 . 1 . 1 114 114 LYS HG2 H 1 1.390 . . . . . . . A 104 LYS HG2 . 34606 1 704 . 1 . 1 114 114 LYS HD2 H 1 1.662 . . . . . . . A 104 LYS HD2 . 34606 1 705 . 1 . 1 114 114 LYS CA C 13 58.018 . . . . . . . A 104 LYS CA . 34606 1 706 . 1 . 1 114 114 LYS CB C 13 33.086 . . . . . . . A 104 LYS CB . 34606 1 707 . 1 . 1 114 114 LYS CG C 13 25.016 . . . . . . . A 104 LYS CG . 34606 1 708 . 1 . 1 114 114 LYS CD C 13 29.144 . . . . . . . A 104 LYS CD . 34606 1 709 . 1 . 1 114 114 LYS CE C 13 42.218 . . . . . . . A 104 LYS CE . 34606 1 710 . 1 . 1 114 114 LYS N N 15 121.194 . . . . . . . A 104 LYS N . 34606 1 711 . 1 . 1 115 115 SER H H 1 7.507 . . . . . . . A 105 SER H . 34606 1 712 . 1 . 1 115 115 SER N N 15 113.228 . . . . . . . A 105 SER N . 34606 1 713 . 1 . 1 116 116 PRO HA H 1 4.612 . . . . . . . A 106 PRO HA . 34606 1 714 . 1 . 1 116 116 PRO HB2 H 1 2.456 . . . . . . . A 106 PRO HB2 . 34606 1 715 . 1 . 1 116 116 PRO HB3 H 1 1.632 . . . . . . . A 106 PRO HB3 . 34606 1 716 . 1 . 1 116 116 PRO HG2 H 1 2.061 . . . . . . . A 106 PRO HG2 . 34606 1 717 . 1 . 1 116 116 PRO HG3 H 1 2.125 . . . . . . . A 106 PRO HG3 . 34606 1 718 . 1 . 1 116 116 PRO HD2 H 1 3.573 . . . . . . . A 106 PRO HD2 . 34606 1 719 . 1 . 1 116 116 PRO HD3 H 1 3.435 . . . . . . . A 106 PRO HD3 . 34606 1 720 . 1 . 1 116 116 PRO CA C 13 64.142 . . . . . . . A 106 PRO CA . 34606 1 721 . 1 . 1 116 116 PRO CB C 13 32.905 . . . . . . . A 106 PRO CB . 34606 1 722 . 1 . 1 116 116 PRO CG C 13 27.532 . . . . . . . A 106 PRO CG . 34606 1 723 . 1 . 1 116 116 PRO CD C 13 50.449 . . . . . . . A 106 PRO CD . 34606 1 724 . 1 . 1 117 117 GLN H H 1 11.007 . . . . . . . A 107 GLN H . 34606 1 725 . 1 . 1 117 117 GLN HB2 H 1 1.787 . . . . . . . A 107 GLN HB2 . 34606 1 726 . 1 . 1 117 117 GLN HB3 H 1 1.676 . . . . . . . A 107 GLN HB3 . 34606 1 727 . 1 . 1 117 117 GLN HG2 H 1 2.244 . . . . . . . A 107 GLN HG2 . 34606 1 728 . 1 . 1 117 117 GLN CA C 13 55.465 . . . . . . . A 107 GLN CA . 34606 1 729 . 1 . 1 117 117 GLN CB C 13 31.720 . . . . . . . A 107 GLN CB . 34606 1 730 . 1 . 1 117 117 GLN CG C 13 34.253 . . . . . . . A 107 GLN CG . 34606 1 731 . 1 . 1 117 117 GLN N N 15 122.086 . . . . . . . A 107 GLN N . 34606 1 732 . 1 . 1 118 118 TYR H H 1 8.872 . . . . . . . A 108 TYR H . 34606 1 733 . 1 . 1 118 118 TYR HA H 1 4.773 . . . . . . . A 108 TYR HA . 34606 1 734 . 1 . 1 118 118 TYR HB2 H 1 2.546 . . . . . . . A 108 TYR HB2 . 34606 1 735 . 1 . 1 118 118 TYR CA C 13 59.023 . . . . . . . A 108 TYR CA . 34606 1 736 . 1 . 1 118 118 TYR CB C 13 40.780 . . . . . . . A 108 TYR CB . 34606 1 737 . 1 . 1 118 118 TYR N N 15 116.736 . . . . . . . A 108 TYR N . 34606 1 738 . 1 . 1 119 119 VAL H H 1 8.588 . . . . . . . A 109 VAL H . 34606 1 739 . 1 . 1 119 119 VAL HA H 1 4.574 . . . . . . . A 109 VAL HA . 34606 1 740 . 1 . 1 119 119 VAL HB H 1 1.869 . . . . . . . A 109 VAL HB . 34606 1 741 . 1 . 1 119 119 VAL HG11 H 1 0.631 . . . . . . . A 109 VAL HG11 . 34606 1 742 . 1 . 1 119 119 VAL HG12 H 1 0.631 . . . . . . . A 109 VAL HG12 . 34606 1 743 . 1 . 1 119 119 VAL HG13 H 1 0.631 . . . . . . . A 109 VAL HG13 . 34606 1 744 . 1 . 1 119 119 VAL HG21 H 1 0.693 . . . . . . . A 109 VAL HG21 . 34606 1 745 . 1 . 1 119 119 VAL HG22 H 1 0.693 . . . . . . . A 109 VAL HG22 . 34606 1 746 . 1 . 1 119 119 VAL HG23 H 1 0.693 . . . . . . . A 109 VAL HG23 . 34606 1 747 . 1 . 1 119 119 VAL CA C 13 61.439 . . . . . . . A 109 VAL CA . 34606 1 748 . 1 . 1 119 119 VAL CB C 13 33.806 . . . . . . . A 109 VAL CB . 34606 1 749 . 1 . 1 119 119 VAL CG1 C 13 20.611 . . . . . . . A 109 VAL CG1 . 34606 1 750 . 1 . 1 119 119 VAL N N 15 119.457 . . . . . . . A 109 VAL N . 34606 1 751 . 1 . 1 120 120 LYS H H 1 9.569 . . . . . . . A 110 LYS H . 34606 1 752 . 1 . 1 120 120 LYS HA H 1 4.632 . . . . . . . A 110 LYS HA . 34606 1 753 . 1 . 1 120 120 LYS HB2 H 1 1.536 . . . . . . . A 110 LYS HB2 . 34606 1 754 . 1 . 1 120 120 LYS HB3 H 1 1.871 . . . . . . . A 110 LYS HB3 . 34606 1 755 . 1 . 1 120 120 LYS HG2 H 1 1.211 . . . . . . . A 110 LYS HG2 . 34606 1 756 . 1 . 1 120 120 LYS HG3 H 1 1.378 . . . . . . . A 110 LYS HG3 . 34606 1 757 . 1 . 1 120 120 LYS HD2 H 1 1.607 . . . . . . . A 110 LYS HD2 . 34606 1 758 . 1 . 1 120 120 LYS HE2 H 1 2.882 . . . . . . . A 110 LYS HE2 . 34606 1 759 . 1 . 1 120 120 LYS CA C 13 54.955 . . . . . . . A 110 LYS CA . 34606 1 760 . 1 . 1 120 120 LYS CB C 13 36.669 . . . . . . . A 110 LYS CB . 34606 1 761 . 1 . 1 120 120 LYS CG C 13 25.332 . . . . . . . A 110 LYS CG . 34606 1 762 . 1 . 1 120 120 LYS CD C 13 29.781 . . . . . . . A 110 LYS CD . 34606 1 763 . 1 . 1 120 120 LYS CE C 13 42.276 . . . . . . . A 110 LYS CE . 34606 1 764 . 1 . 1 120 120 LYS N N 15 130.407 . . . . . . . A 110 LYS N . 34606 1 765 . 1 . 1 121 121 THR H H 1 9.334 . . . . . . . A 111 THR H . 34606 1 766 . 1 . 1 121 121 THR HA H 1 4.220 . . . . . . . A 111 THR HA . 34606 1 767 . 1 . 1 121 121 THR HB H 1 4.138 . . . . . . . A 111 THR HB . 34606 1 768 . 1 . 1 121 121 THR CA C 13 62.983 . . . . . . . A 111 THR CA . 34606 1 769 . 1 . 1 121 121 THR CB C 13 69.228 . . . . . . . A 111 THR CB . 34606 1 770 . 1 . 1 121 121 THR CG2 C 13 22.300 . . . . . . . A 111 THR CG2 . 34606 1 771 . 1 . 1 121 121 THR N N 15 124.245 . . . . . . . A 111 THR N . 34606 1 772 . 1 . 1 122 122 VAL H H 1 8.525 . . . . . . . A 112 VAL H . 34606 1 773 . 1 . 1 122 122 VAL HA H 1 4.428 . . . . . . . A 112 VAL HA . 34606 1 774 . 1 . 1 122 122 VAL HB H 1 1.544 . . . . . . . A 112 VAL HB . 34606 1 775 . 1 . 1 122 122 VAL HG11 H 1 0.681 . . . . . . . A 112 VAL HG11 . 34606 1 776 . 1 . 1 122 122 VAL HG12 H 1 0.681 . . . . . . . A 112 VAL HG12 . 34606 1 777 . 1 . 1 122 122 VAL HG13 H 1 0.681 . . . . . . . A 112 VAL HG13 . 34606 1 778 . 1 . 1 122 122 VAL HG21 H 1 0.786 . . . . . . . A 112 VAL HG21 . 34606 1 779 . 1 . 1 122 122 VAL HG22 H 1 0.786 . . . . . . . A 112 VAL HG22 . 34606 1 780 . 1 . 1 122 122 VAL HG23 H 1 0.786 . . . . . . . A 112 VAL HG23 . 34606 1 781 . 1 . 1 122 122 VAL CA C 13 59.369 . . . . . . . A 112 VAL CA . 34606 1 782 . 1 . 1 122 122 VAL CB C 13 31.126 . . . . . . . A 112 VAL CB . 34606 1 783 . 1 . 1 122 122 VAL CG1 C 13 20.733 . . . . . . . A 112 VAL CG1 . 34606 1 784 . 1 . 1 122 122 VAL CG2 C 13 21.498 . . . . . . . A 112 VAL CG2 . 34606 1 785 . 1 . 1 122 122 VAL N N 15 130.767 . . . . . . . A 112 VAL N . 34606 1 786 . 1 . 1 123 123 PRO HA H 1 4.055 . . . . . . . A 113 PRO HA . 34606 1 787 . 1 . 1 123 123 PRO HB2 H 1 1.852 . . . . . . . A 113 PRO HB2 . 34606 1 788 . 1 . 1 123 123 PRO HB3 H 1 2.288 . . . . . . . A 113 PRO HB3 . 34606 1 789 . 1 . 1 123 123 PRO HG2 H 1 2.096 . . . . . . . A 113 PRO HG2 . 34606 1 790 . 1 . 1 123 123 PRO HG3 H 1 1.891 . . . . . . . A 113 PRO HG3 . 34606 1 791 . 1 . 1 123 123 PRO HD2 H 1 3.663 . . . . . . . A 113 PRO HD2 . 34606 1 792 . 1 . 1 123 123 PRO HD3 H 1 3.946 . . . . . . . A 113 PRO HD3 . 34606 1 793 . 1 . 1 123 123 PRO CA C 13 64.776 . . . . . . . A 113 PRO CA . 34606 1 794 . 1 . 1 123 123 PRO CB C 13 31.999 . . . . . . . A 113 PRO CB . 34606 1 795 . 1 . 1 123 123 PRO CG C 13 27.502 . . . . . . . A 113 PRO CG . 34606 1 796 . 1 . 1 123 123 PRO CD C 13 51.701 . . . . . . . A 113 PRO CD . 34606 1 797 . 1 . 1 124 124 LYS H H 1 8.690 . . . . . . . A 114 LYS H . 34606 1 798 . 1 . 1 124 124 LYS HB2 H 1 2.156 . . . . . . . A 114 LYS HB2 . 34606 1 799 . 1 . 1 124 124 LYS HG2 H 1 1.337 . . . . . . . A 114 LYS HG2 . 34606 1 800 . 1 . 1 124 124 LYS CA C 13 58.900 . . . . . . . A 114 LYS CA . 34606 1 801 . 1 . 1 124 124 LYS CB C 13 30.861 . . . . . . . A 114 LYS CB . 34606 1 802 . 1 . 1 124 124 LYS CG C 13 25.606 . . . . . . . A 114 LYS CG . 34606 1 803 . 1 . 1 124 124 LYS CD C 13 29.194 . . . . . . . A 114 LYS CD . 34606 1 804 . 1 . 1 124 124 LYS CE C 13 42.287 . . . . . . . A 114 LYS CE . 34606 1 805 . 1 . 1 124 124 LYS N N 15 116.344 . . . . . . . A 114 LYS N . 34606 1 806 . 1 . 1 125 125 ARG H H 1 7.987 . . . . . . . A 115 ARG H . 34606 1 807 . 1 . 1 125 125 ARG HA H 1 4.562 . . . . . . . A 115 ARG HA . 34606 1 808 . 1 . 1 125 125 ARG HB2 H 1 1.220 . . . . . . . A 115 ARG HB2 . 34606 1 809 . 1 . 1 125 125 ARG HB3 H 1 1.671 . . . . . . . A 115 ARG HB3 . 34606 1 810 . 1 . 1 125 125 ARG HG2 H 1 1.605 . . . . . . . A 115 ARG HG2 . 34606 1 811 . 1 . 1 125 125 ARG HG3 H 1 1.472 . . . . . . . A 115 ARG HG3 . 34606 1 812 . 1 . 1 125 125 ARG HD2 H 1 3.153 . . . . . . . A 115 ARG HD2 . 34606 1 813 . 1 . 1 125 125 ARG HD3 H 1 3.034 . . . . . . . A 115 ARG HD3 . 34606 1 814 . 1 . 1 125 125 ARG CA C 13 57.269 . . . . . . . A 115 ARG CA . 34606 1 815 . 1 . 1 125 125 ARG CB C 13 33.639 . . . . . . . A 115 ARG CB . 34606 1 816 . 1 . 1 125 125 ARG CG C 13 26.900 . . . . . . . A 115 ARG CG . 34606 1 817 . 1 . 1 125 125 ARG CD C 13 43.211 . . . . . . . A 115 ARG CD . 34606 1 818 . 1 . 1 125 125 ARG N N 15 117.552 . . . . . . . A 115 ARG N . 34606 1 819 . 1 . 1 126 126 GLY H H 1 7.884 . . . . . . . A 116 GLY H . 34606 1 820 . 1 . 1 126 126 GLY HA2 H 1 4.903 . . . . . . . A 116 GLY HA2 . 34606 1 821 . 1 . 1 126 126 GLY CA C 13 45.771 . . . . . . . A 116 GLY CA . 34606 1 822 . 1 . 1 126 126 GLY N N 15 106.276 . . . . . . . A 116 GLY N . 34606 1 823 . 1 . 1 127 127 TYR H H 1 8.830 . . . . . . . A 117 TYR H . 34606 1 824 . 1 . 1 127 127 TYR HA H 1 5.279 . . . . . . . A 117 TYR HA . 34606 1 825 . 1 . 1 127 127 TYR HB2 H 1 2.273 . . . . . . . A 117 TYR HB2 . 34606 1 826 . 1 . 1 127 127 TYR HB3 H 1 2.742 . . . . . . . A 117 TYR HB3 . 34606 1 827 . 1 . 1 127 127 TYR CA C 13 57.354 . . . . . . . A 117 TYR CA . 34606 1 828 . 1 . 1 127 127 TYR CB C 13 43.672 . . . . . . . A 117 TYR CB . 34606 1 829 . 1 . 1 127 127 TYR N N 15 122.397 . . . . . . . A 117 TYR N . 34606 1 830 . 1 . 1 128 128 GLN H H 1 8.812 . . . . . . . A 118 GLN H . 34606 1 831 . 1 . 1 128 128 GLN HA H 1 4.864 . . . . . . . A 118 GLN HA . 34606 1 832 . 1 . 1 128 128 GLN HB2 H 1 1.858 . . . . . . . A 118 GLN HB2 . 34606 1 833 . 1 . 1 128 128 GLN HG2 H 1 1.483 . . . . . . . A 118 GLN HG2 . 34606 1 834 . 1 . 1 128 128 GLN CA C 13 54.323 . . . . . . . A 118 GLN CA . 34606 1 835 . 1 . 1 128 128 GLN CB C 13 32.092 . . . . . . . A 118 GLN CB . 34606 1 836 . 1 . 1 128 128 GLN CG C 13 34.544 . . . . . . . A 118 GLN CG . 34606 1 837 . 1 . 1 128 128 GLN N N 15 121.092 . . . . . . . A 118 GLN N . 34606 1 838 . 1 . 1 129 129 LEU H H 1 9.817 . . . . . . . A 119 LEU H . 34606 1 839 . 1 . 1 129 129 LEU HA H 1 5.104 . . . . . . . A 119 LEU HA . 34606 1 840 . 1 . 1 129 129 LEU HB2 H 1 2.024 . . . . . . . A 119 LEU HB2 . 34606 1 841 . 1 . 1 129 129 LEU HB3 H 1 1.407 . . . . . . . A 119 LEU HB3 . 34606 1 842 . 1 . 1 129 129 LEU HG H 1 0.740 . . . . . . . A 119 LEU HG . 34606 1 843 . 1 . 1 129 129 LEU HD11 H 1 0.852 . . . . . . . A 119 LEU HD11 . 34606 1 844 . 1 . 1 129 129 LEU HD12 H 1 0.852 . . . . . . . A 119 LEU HD12 . 34606 1 845 . 1 . 1 129 129 LEU HD13 H 1 0.852 . . . . . . . A 119 LEU HD13 . 34606 1 846 . 1 . 1 129 129 LEU CA C 13 54.351 . . . . . . . A 119 LEU CA . 34606 1 847 . 1 . 1 129 129 LEU CB C 13 43.215 . . . . . . . A 119 LEU CB . 34606 1 848 . 1 . 1 129 129 LEU CG C 13 27.207 . . . . . . . A 119 LEU CG . 34606 1 849 . 1 . 1 129 129 LEU CD1 C 13 23.919 . . . . . . . A 119 LEU CD1 . 34606 1 850 . 1 . 1 129 129 LEU N N 15 130.889 . . . . . . . A 119 LEU N . 34606 1 851 . 1 . 1 130 130 ILE H H 1 8.307 . . . . . . . A 120 ILE H . 34606 1 852 . 1 . 1 130 130 ILE HA H 1 4.577 . . . . . . . A 120 ILE HA . 34606 1 853 . 1 . 1 130 130 ILE HB H 1 2.014 . . . . . . . A 120 ILE HB . 34606 1 854 . 1 . 1 130 130 ILE HG12 H 1 0.610 . . . . . . . A 120 ILE HG12 . 34606 1 855 . 1 . 1 130 130 ILE HG21 H 1 0.755 . . . . . . . A 120 ILE HG21 . 34606 1 856 . 1 . 1 130 130 ILE HG22 H 1 0.755 . . . . . . . A 120 ILE HG22 . 34606 1 857 . 1 . 1 130 130 ILE HG23 H 1 0.755 . . . . . . . A 120 ILE HG23 . 34606 1 858 . 1 . 1 130 130 ILE HD11 H 1 0.618 . . . . . . . A 120 ILE HD11 . 34606 1 859 . 1 . 1 130 130 ILE HD12 H 1 0.618 . . . . . . . A 120 ILE HD12 . 34606 1 860 . 1 . 1 130 130 ILE HD13 H 1 0.618 . . . . . . . A 120 ILE HD13 . 34606 1 861 . 1 . 1 130 130 ILE CA C 13 61.302 . . . . . . . A 120 ILE CA . 34606 1 862 . 1 . 1 130 130 ILE CB C 13 38.327 . . . . . . . A 120 ILE CB . 34606 1 863 . 1 . 1 130 130 ILE CG1 C 13 26.023 . . . . . . . A 120 ILE CG1 . 34606 1 864 . 1 . 1 130 130 ILE CG2 C 13 18.902 . . . . . . . A 120 ILE CG2 . 34606 1 865 . 1 . 1 130 130 ILE CD1 C 13 14.213 . . . . . . . A 120 ILE CD1 . 34606 1 866 . 1 . 1 130 130 ILE N N 15 121.441 . . . . . . . A 120 ILE N . 34606 1 867 . 1 . 1 131 131 ALA H H 1 6.586 . . . . . . . A 121 ALA H . 34606 1 868 . 1 . 1 131 131 ALA HA H 1 4.373 . . . . . . . A 121 ALA HA . 34606 1 869 . 1 . 1 131 131 ALA HB1 H 1 1.396 . . . . . . . A 121 ALA HB1 . 34606 1 870 . 1 . 1 131 131 ALA HB2 H 1 1.396 . . . . . . . A 121 ALA HB2 . 34606 1 871 . 1 . 1 131 131 ALA HB3 H 1 1.396 . . . . . . . A 121 ALA HB3 . 34606 1 872 . 1 . 1 131 131 ALA CA C 13 51.049 . . . . . . . A 121 ALA CA . 34606 1 873 . 1 . 1 131 131 ALA CB C 13 21.039 . . . . . . . A 121 ALA CB . 34606 1 874 . 1 . 1 131 131 ALA N N 15 123.870 . . . . . . . A 121 ALA N . 34606 1 875 . 1 . 1 132 132 ARG H H 1 8.617 . . . . . . . A 122 ARG H . 34606 1 876 . 1 . 1 132 132 ARG HG2 H 1 1.775 . . . . . . . A 122 ARG HG2 . 34606 1 877 . 1 . 1 132 132 ARG HD2 H 1 3.189 . . . . . . . A 122 ARG HD2 . 34606 1 878 . 1 . 1 132 132 ARG CA C 13 57.555 . . . . . . . A 122 ARG CA . 34606 1 879 . 1 . 1 132 132 ARG CB C 13 30.797 . . . . . . . A 122 ARG CB . 34606 1 880 . 1 . 1 132 132 ARG CG C 13 27.787 . . . . . . . A 122 ARG CG . 34606 1 881 . 1 . 1 132 132 ARG CD C 13 43.755 . . . . . . . A 122 ARG CD . 34606 1 882 . 1 . 1 132 132 ARG N N 15 121.593 . . . . . . . A 122 ARG N . 34606 1 883 . 1 . 1 133 133 VAL H H 1 8.604 . . . . . . . A 123 VAL H . 34606 1 884 . 1 . 1 133 133 VAL HA H 1 5.049 . . . . . . . A 123 VAL HA . 34606 1 885 . 1 . 1 133 133 VAL HB H 1 1.990 . . . . . . . A 123 VAL HB . 34606 1 886 . 1 . 1 133 133 VAL HG11 H 1 1.051 . . . . . . . A 123 VAL HG11 . 34606 1 887 . 1 . 1 133 133 VAL HG12 H 1 1.051 . . . . . . . A 123 VAL HG12 . 34606 1 888 . 1 . 1 133 133 VAL HG13 H 1 1.051 . . . . . . . A 123 VAL HG13 . 34606 1 889 . 1 . 1 133 133 VAL CA C 13 61.667 . . . . . . . A 123 VAL CA . 34606 1 890 . 1 . 1 133 133 VAL CB C 13 35.103 . . . . . . . A 123 VAL CB . 34606 1 891 . 1 . 1 133 133 VAL CG1 C 13 22.688 . . . . . . . A 123 VAL CG1 . 34606 1 892 . 1 . 1 133 133 VAL N N 15 124.678 . . . . . . . A 123 VAL N . 34606 1 893 . 1 . 1 134 134 GLU H H 1 8.976 . . . . . . . A 124 GLU H . 34606 1 894 . 1 . 1 134 134 GLU HA H 1 4.894 . . . . . . . A 124 GLU HA . 34606 1 895 . 1 . 1 134 134 GLU HB2 H 1 2.126 . . . . . . . A 124 GLU HB2 . 34606 1 896 . 1 . 1 134 134 GLU HG2 H 1 2.208 . . . . . . . A 124 GLU HG2 . 34606 1 897 . 1 . 1 134 134 GLU CA C 13 54.602 . . . . . . . A 124 GLU CA . 34606 1 898 . 1 . 1 134 134 GLU CB C 13 33.635 . . . . . . . A 124 GLU CB . 34606 1 899 . 1 . 1 134 134 GLU CG C 13 36.601 . . . . . . . A 124 GLU CG . 34606 1 900 . 1 . 1 134 134 GLU N N 15 127.861 . . . . . . . A 124 GLU N . 34606 1 901 . 1 . 1 135 135 THR H H 1 8.804 . . . . . . . A 125 THR H . 34606 1 902 . 1 . 1 135 135 THR HB H 1 4.036 . . . . . . . A 125 THR HB . 34606 1 903 . 1 . 1 135 135 THR CA C 13 62.023 . . . . . . . A 125 THR CA . 34606 1 904 . 1 . 1 135 135 THR CB C 13 69.760 . . . . . . . A 125 THR CB . 34606 1 905 . 1 . 1 135 135 THR CG2 C 13 22.426 . . . . . . . A 125 THR CG2 . 34606 1 906 . 1 . 1 135 135 THR N N 15 118.710 . . . . . . . A 125 THR N . 34606 1 907 . 1 . 1 136 136 VAL H H 1 8.283 . . . . . . . A 126 VAL H . 34606 1 908 . 1 . 1 136 136 VAL HA H 1 4.167 . . . . . . . A 126 VAL HA . 34606 1 909 . 1 . 1 136 136 VAL HB H 1 1.783 . . . . . . . A 126 VAL HB . 34606 1 910 . 1 . 1 136 136 VAL HG11 H 1 0.803 . . . . . . . A 126 VAL HG11 . 34606 1 911 . 1 . 1 136 136 VAL HG12 H 1 0.803 . . . . . . . A 126 VAL HG12 . 34606 1 912 . 1 . 1 136 136 VAL HG13 H 1 0.803 . . . . . . . A 126 VAL HG13 . 34606 1 913 . 1 . 1 136 136 VAL HG21 H 1 0.752 . . . . . . . A 126 VAL HG21 . 34606 1 914 . 1 . 1 136 136 VAL HG22 H 1 0.752 . . . . . . . A 126 VAL HG22 . 34606 1 915 . 1 . 1 136 136 VAL HG23 H 1 0.752 . . . . . . . A 126 VAL HG23 . 34606 1 916 . 1 . 1 136 136 VAL CA C 13 61.825 . . . . . . . A 126 VAL CA . 34606 1 917 . 1 . 1 136 136 VAL CB C 13 33.547 . . . . . . . A 126 VAL CB . 34606 1 918 . 1 . 1 136 136 VAL CG1 C 13 21.136 . . . . . . . A 126 VAL CG1 . 34606 1 919 . 1 . 1 136 136 VAL CG2 C 13 20.610 . . . . . . . A 126 VAL CG2 . 34606 1 920 . 1 . 1 136 136 VAL N N 15 124.063 . . . . . . . A 126 VAL N . 34606 1 921 . 1 . 1 138 138 GLU CA C 13 56.168 . . . . . . . A 128 GLU CA . 34606 1 922 . 1 . 1 138 138 GLU CB C 13 31.517 . . . . . . . A 128 GLU CB . 34606 1 923 . 1 . 1 138 138 GLU CG C 13 36.181 . . . . . . . A 128 GLU CG . 34606 1 stop_ save_