data_27542 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27542 _Entry.Title ; Macaca fascicularis Eosinophil Cationic Protein backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-12 _Entry.Accession_date 2018-07-12 _Entry.Last_release_date 2018-07-12 _Entry.Original_release_date 2018-07-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Backbone atom chemical shifts of the Eosinophil cationic protein from Macaca fascicularis' _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 David Bernard . N. . . 27542 2 Nicolas Doucet . . . . 27542 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut National de la Recherche Scientifique - Institut Armand-Frappier' . 27542 2 . PROTEO . 27542 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27542 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 27542 '15N chemical shifts' 131 27542 '1H chemical shifts' 141 27542 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 . . 2018-07-19 . original BMRB . 27542 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27544 'Pongo pygmaeus ECP' 27542 BMRB 27545 'Pongo abelii RNase 3' 27542 BMRB 27546 'Aotus trivirgatus EDN' 27542 EMBL U24098.1 . 27542 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27542 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Macaca fascicularis Eosinophil Cationic Protein backbone assignment ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Bernard . N. . . 27542 1 2 Chitra Narayanan . . . . 27542 1 3 Khushboo Bafna . N. . . 27542 1 4 Purva Bhojane . P. . . 27542 1 5 Myriam Letourneau . . . . 27542 1 6 Elizabeth Howell . E. . . 27542 1 7 Pratul Agarwal . K. . . 27542 1 8 Nicolas Doucet . . . . 27542 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27542 _Assembly.ID 1 _Assembly.Name 'Macaca fascicularis ECP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15745 _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 'Macaca fascicularis ECP' 1 $MfECP A . yes native no no . . . 27542 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MfECP _Entity.Sf_category entity _Entity.Sf_framecode MfECP _Entity.Entry_ID 27542 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MfECP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RPPQFTKAQWFAIQHINVNP PRCTIAMRVINNYQRRCKNQ NTFLRTTFAYTANVCRNERI RCPRNRTLHNCHRSRYRVPL LHCDLINPGAQNISTCRYAD RPGRRFYVVACESRDPRDSP RYPVVPVHLDTTI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Mature protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15745 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P47779 . ECP_MACFA . . . . . . . . . . . . . . 27542 1 . yes EMBL U24098.1 . . . . . . . . . . . . . . . . 27542 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ribonuclease 27542 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 27542 1 2 . PRO . 27542 1 3 . PRO . 27542 1 4 . GLN . 27542 1 5 . PHE . 27542 1 6 . THR . 27542 1 7 . LYS . 27542 1 8 . ALA . 27542 1 9 . GLN . 27542 1 10 . TRP . 27542 1 11 . PHE . 27542 1 12 . ALA . 27542 1 13 . ILE . 27542 1 14 . GLN . 27542 1 15 . HIS . 27542 1 16 . ILE . 27542 1 17 . ASN . 27542 1 18 . VAL . 27542 1 19 . ASN . 27542 1 20 . PRO . 27542 1 21 . PRO . 27542 1 22 . ARG . 27542 1 23 . CYS . 27542 1 24 . THR . 27542 1 25 . ILE . 27542 1 26 . ALA . 27542 1 27 . MET . 27542 1 28 . ARG . 27542 1 29 . VAL . 27542 1 30 . ILE . 27542 1 31 . ASN . 27542 1 32 . ASN . 27542 1 33 . TYR . 27542 1 34 . GLN . 27542 1 35 . ARG . 27542 1 36 . ARG . 27542 1 37 . CYS . 27542 1 38 . LYS . 27542 1 39 . ASN . 27542 1 40 . GLN . 27542 1 41 . ASN . 27542 1 42 . THR . 27542 1 43 . PHE . 27542 1 44 . LEU . 27542 1 45 . ARG . 27542 1 46 . THR . 27542 1 47 . THR . 27542 1 48 . PHE . 27542 1 49 . ALA . 27542 1 50 . TYR . 27542 1 51 . THR . 27542 1 52 . ALA . 27542 1 53 . ASN . 27542 1 54 . VAL . 27542 1 55 . CYS . 27542 1 56 . ARG . 27542 1 57 . ASN . 27542 1 58 . GLU . 27542 1 59 . ARG . 27542 1 60 . ILE . 27542 1 61 . ARG . 27542 1 62 . CYS . 27542 1 63 . PRO . 27542 1 64 . ARG . 27542 1 65 . ASN . 27542 1 66 . ARG . 27542 1 67 . THR . 27542 1 68 . LEU . 27542 1 69 . HIS . 27542 1 70 . ASN . 27542 1 71 . CYS . 27542 1 72 . HIS . 27542 1 73 . ARG . 27542 1 74 . SER . 27542 1 75 . ARG . 27542 1 76 . TYR . 27542 1 77 . ARG . 27542 1 78 . VAL . 27542 1 79 . PRO . 27542 1 80 . LEU . 27542 1 81 . LEU . 27542 1 82 . HIS . 27542 1 83 . CYS . 27542 1 84 . ASP . 27542 1 85 . LEU . 27542 1 86 . ILE . 27542 1 87 . ASN . 27542 1 88 . PRO . 27542 1 89 . GLY . 27542 1 90 . ALA . 27542 1 91 . GLN . 27542 1 92 . ASN . 27542 1 93 . ILE . 27542 1 94 . SER . 27542 1 95 . THR . 27542 1 96 . CYS . 27542 1 97 . ARG . 27542 1 98 . TYR . 27542 1 99 . ALA . 27542 1 100 . ASP . 27542 1 101 . ARG . 27542 1 102 . PRO . 27542 1 103 . GLY . 27542 1 104 . ARG . 27542 1 105 . ARG . 27542 1 106 . PHE . 27542 1 107 . TYR . 27542 1 108 . VAL . 27542 1 109 . VAL . 27542 1 110 . ALA . 27542 1 111 . CYS . 27542 1 112 . GLU . 27542 1 113 . SER . 27542 1 114 . ARG . 27542 1 115 . ASP . 27542 1 116 . PRO . 27542 1 117 . ARG . 27542 1 118 . ASP . 27542 1 119 . SER . 27542 1 120 . PRO . 27542 1 121 . ARG . 27542 1 122 . TYR . 27542 1 123 . PRO . 27542 1 124 . VAL . 27542 1 125 . VAL . 27542 1 126 . PRO . 27542 1 127 . VAL . 27542 1 128 . HIS . 27542 1 129 . LEU . 27542 1 130 . ASP . 27542 1 131 . THR . 27542 1 132 . THR . 27542 1 133 . ILE . 27542 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 . ARG 1 1 27542 1 . PRO 2 2 27542 1 . PRO 3 3 27542 1 . GLN 4 4 27542 1 . PHE 5 5 27542 1 . THR 6 6 27542 1 . LYS 7 7 27542 1 . ALA 8 8 27542 1 . GLN 9 9 27542 1 . TRP 10 10 27542 1 . PHE 11 11 27542 1 . ALA 12 12 27542 1 . ILE 13 13 27542 1 . GLN 14 14 27542 1 . HIS 15 15 27542 1 . ILE 16 16 27542 1 . ASN 17 17 27542 1 . VAL 18 18 27542 1 . ASN 19 19 27542 1 . PRO 20 20 27542 1 . PRO 21 21 27542 1 . ARG 22 22 27542 1 . CYS 23 23 27542 1 . THR 24 24 27542 1 . ILE 25 25 27542 1 . ALA 26 26 27542 1 . MET 27 27 27542 1 . ARG 28 28 27542 1 . VAL 29 29 27542 1 . ILE 30 30 27542 1 . ASN 31 31 27542 1 . ASN 32 32 27542 1 . TYR 33 33 27542 1 . GLN 34 34 27542 1 . ARG 35 35 27542 1 . ARG 36 36 27542 1 . CYS 37 37 27542 1 . LYS 38 38 27542 1 . ASN 39 39 27542 1 . GLN 40 40 27542 1 . ASN 41 41 27542 1 . THR 42 42 27542 1 . PHE 43 43 27542 1 . LEU 44 44 27542 1 . ARG 45 45 27542 1 . THR 46 46 27542 1 . THR 47 47 27542 1 . PHE 48 48 27542 1 . ALA 49 49 27542 1 . TYR 50 50 27542 1 . THR 51 51 27542 1 . ALA 52 52 27542 1 . ASN 53 53 27542 1 . VAL 54 54 27542 1 . CYS 55 55 27542 1 . ARG 56 56 27542 1 . ASN 57 57 27542 1 . GLU 58 58 27542 1 . ARG 59 59 27542 1 . ILE 60 60 27542 1 . ARG 61 61 27542 1 . CYS 62 62 27542 1 . PRO 63 63 27542 1 . ARG 64 64 27542 1 . ASN 65 65 27542 1 . ARG 66 66 27542 1 . THR 67 67 27542 1 . LEU 68 68 27542 1 . HIS 69 69 27542 1 . ASN 70 70 27542 1 . CYS 71 71 27542 1 . HIS 72 72 27542 1 . ARG 73 73 27542 1 . SER 74 74 27542 1 . ARG 75 75 27542 1 . TYR 76 76 27542 1 . ARG 77 77 27542 1 . VAL 78 78 27542 1 . PRO 79 79 27542 1 . LEU 80 80 27542 1 . LEU 81 81 27542 1 . HIS 82 82 27542 1 . CYS 83 83 27542 1 . ASP 84 84 27542 1 . LEU 85 85 27542 1 . ILE 86 86 27542 1 . ASN 87 87 27542 1 . PRO 88 88 27542 1 . GLY 89 89 27542 1 . ALA 90 90 27542 1 . GLN 91 91 27542 1 . ASN 92 92 27542 1 . ILE 93 93 27542 1 . SER 94 94 27542 1 . THR 95 95 27542 1 . CYS 96 96 27542 1 . ARG 97 97 27542 1 . TYR 98 98 27542 1 . ALA 99 99 27542 1 . ASP 100 100 27542 1 . ARG 101 101 27542 1 . PRO 102 102 27542 1 . GLY 103 103 27542 1 . ARG 104 104 27542 1 . ARG 105 105 27542 1 . PHE 106 106 27542 1 . TYR 107 107 27542 1 . VAL 108 108 27542 1 . VAL 109 109 27542 1 . ALA 110 110 27542 1 . CYS 111 111 27542 1 . GLU 112 112 27542 1 . SER 113 113 27542 1 . ARG 114 114 27542 1 . ASP 115 115 27542 1 . PRO 116 116 27542 1 . ARG 117 117 27542 1 . ASP 118 118 27542 1 . SER 119 119 27542 1 . PRO 120 120 27542 1 . ARG 121 121 27542 1 . TYR 122 122 27542 1 . PRO 123 123 27542 1 . VAL 124 124 27542 1 . VAL 125 125 27542 1 . PRO 126 126 27542 1 . VAL 127 127 27542 1 . HIS 128 128 27542 1 . LEU 129 129 27542 1 . ASP 130 130 27542 1 . THR 131 131 27542 1 . THR 132 132 27542 1 . ILE 133 133 27542 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 27542 _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 $MfECP . 9541 organism . 'Macaca fascicularis' 'crab-eating macaque' . . Eukaryota Metazoa Macaca fascicularis . . . . . . . . . . . RNASE3 . 27542 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 27542 _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 $MfECP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pJexpress 414' . . . 27542 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27542 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 MfECP '[U-99% 13C; U-99% 15N]' . . 1 $MfECP . . 300 100 500 uM . . . . 27542 1 2 'sodium acetate' 'natural abundance' . . . . . . 15 . . mM . . . . 27542 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 27542 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.015 . M 27542 1 pH 5.0 . pH 27542 1 pressure 1 . atm 27542 1 temperature 298 . K 27542 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 27542 _Software.ID 1 _Software.Type . _Software.Name CcpNmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27542 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27542 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27542 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27542 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 27542 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 27542 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27542 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27542 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27542 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27542 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 27542 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27542 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27542 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27542 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 27542 1 2 '3D HNCACB' . . . 27542 1 3 '3D CBCA(CO)NH' . . . 27542 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr . . 27542 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 PRO CA C 13 64.1946 0.0155 . 1 . . . . . 3 PRO CA . 27542 1 2 . 1 1 3 3 PRO CB C 13 31.7905 0.0536 . 1 . . . . . 3 PRO CB . 27542 1 3 . 1 1 4 4 GLN H H 1 9.0432 0.0016 . 1 . . . . . 4 GLN H . 27542 1 4 . 1 1 4 4 GLN HE21 H 1 6.9186 . . 1 . . . . . 4 GLN HE21 . 27542 1 5 . 1 1 4 4 GLN HE22 H 1 7.2071 . . 1 . . . . . 4 GLN HE22 . 27542 1 6 . 1 1 4 4 GLN CA C 13 56.7299 0.0039 . 1 . . . . . 4 GLN CA . 27542 1 7 . 1 1 4 4 GLN CB C 13 27.1121 0.0464 . 1 . . . . . 4 GLN CB . 27542 1 8 . 1 1 4 4 GLN N N 15 117.4643 0.0129 . 1 . . . . . 4 GLN N . 27542 1 9 . 1 1 4 4 GLN NE2 N 15 111.7512 0.0009 . 1 . . . . . 4 GLN NE2 . 27542 1 10 . 1 1 5 5 PHE H H 1 7.6189 0.0026 . 1 . . . . . 5 PHE H . 27542 1 11 . 1 1 5 5 PHE CA C 13 55.4845 0.0091 . 1 . . . . . 5 PHE CA . 27542 1 12 . 1 1 5 5 PHE CB C 13 41.9833 0.0331 . 1 . . . . . 5 PHE CB . 27542 1 13 . 1 1 5 5 PHE N N 15 120.6672 0.0173 . 1 . . . . . 5 PHE N . 27542 1 14 . 1 1 6 6 THR H H 1 8.8277 0.0029 . 1 . . . . . 6 THR H . 27542 1 15 . 1 1 6 6 THR CA C 13 60.8550 0.0390 . 1 . . . . . 6 THR CA . 27542 1 16 . 1 1 6 6 THR CB C 13 69.4594 0.0319 . 1 . . . . . 6 THR CB . 27542 1 17 . 1 1 6 6 THR N N 15 112.9500 0.0147 . 1 . . . . . 6 THR N . 27542 1 18 . 1 1 7 7 LYS H H 1 9.0299 0.0026 . 1 . . . . . 7 LYS H . 27542 1 19 . 1 1 7 7 LYS CA C 13 61.7559 0.0199 . 1 . . . . . 7 LYS CA . 27542 1 20 . 1 1 7 7 LYS CB C 13 33.2844 0.0257 . 1 . . . . . 7 LYS CB . 27542 1 21 . 1 1 7 7 LYS N N 15 121.1331 0.0326 . 1 . . . . . 7 LYS N . 27542 1 22 . 1 1 8 8 ALA H H 1 10.1794 0.0035 . 1 . . . . . 8 ALA H . 27542 1 23 . 1 1 8 8 ALA CA C 13 55.1682 0.0414 . 1 . . . . . 8 ALA CA . 27542 1 24 . 1 1 8 8 ALA CB C 13 18.7537 0.0534 . 1 . . . . . 8 ALA CB . 27542 1 25 . 1 1 8 8 ALA N N 15 125.4543 0.0482 . 1 . . . . . 8 ALA N . 27542 1 26 . 1 1 9 9 GLN H H 1 8.3855 0.0049 . 1 . . . . . 9 GLN H . 27542 1 27 . 1 1 9 9 GLN CA C 13 58.5134 0.0177 . 1 . . . . . 9 GLN CA . 27542 1 28 . 1 1 9 9 GLN CB C 13 28.6187 0.0386 . 1 . . . . . 9 GLN CB . 27542 1 29 . 1 1 9 9 GLN N N 15 118.7497 0.0259 . 1 . . . . . 9 GLN N . 27542 1 30 . 1 1 10 10 TRP H H 1 8.8013 0.0024 . 1 . . . . . 10 TRP H . 27542 1 31 . 1 1 10 10 TRP HE1 H 1 10.1843 . . 1 . . . . . 10 TRP HE1 . 27542 1 32 . 1 1 10 10 TRP CA C 13 57.9165 0.0231 . 1 . . . . . 10 TRP CA . 27542 1 33 . 1 1 10 10 TRP CB C 13 31.5441 0.0222 . 1 . . . . . 10 TRP CB . 27542 1 34 . 1 1 10 10 TRP N N 15 120.7935 0.0185 . 1 . . . . . 10 TRP N . 27542 1 35 . 1 1 10 10 TRP NE1 N 15 130.4223 . . 1 . . . . . 10 TRP NE1 . 27542 1 36 . 1 1 11 11 PHE H H 1 8.6845 0.0041 . 1 . . . . . 11 PHE H . 27542 1 37 . 1 1 11 11 PHE CA C 13 61.8587 0.1038 . 1 . . . . . 11 PHE CA . 27542 1 38 . 1 1 11 11 PHE CB C 13 38.8925 0.0723 . 1 . . . . . 11 PHE CB . 27542 1 39 . 1 1 11 11 PHE N N 15 121.9347 0.0354 . 1 . . . . . 11 PHE N . 27542 1 40 . 1 1 12 12 ALA H H 1 8.2983 0.0045 . 1 . . . . . 12 ALA H . 27542 1 41 . 1 1 12 12 ALA CA C 13 55.2376 0.0044 . 1 . . . . . 12 ALA CA . 27542 1 42 . 1 1 12 12 ALA CB C 13 17.9676 0.0262 . 1 . . . . . 12 ALA CB . 27542 1 43 . 1 1 12 12 ALA N N 15 122.2434 0.1345 . 1 . . . . . 12 ALA N . 27542 1 44 . 1 1 13 13 ILE H H 1 7.7773 0.0019 . 1 . . . . . 13 ILE H . 27542 1 45 . 1 1 13 13 ILE CA C 13 64.6459 0.0360 . 1 . . . . . 13 ILE CA . 27542 1 46 . 1 1 13 13 ILE CB C 13 38.2817 0.0343 . 1 . . . . . 13 ILE CB . 27542 1 47 . 1 1 13 13 ILE N N 15 118.4615 0.0400 . 1 . . . . . 13 ILE N . 27542 1 48 . 1 1 14 14 GLN H H 1 7.2542 0.0021 . 1 . . . . . 14 GLN H . 27542 1 49 . 1 1 14 14 GLN CA C 13 58.2119 0.0092 . 1 . . . . . 14 GLN CA . 27542 1 50 . 1 1 14 14 GLN CB C 13 31.0990 0.0281 . 1 . . . . . 14 GLN CB . 27542 1 51 . 1 1 14 14 GLN N N 15 112.4989 0.0223 . 1 . . . . . 14 GLN N . 27542 1 52 . 1 1 15 15 HIS H H 1 7.7919 0.0028 . 1 . . . . . 15 HIS H . 27542 1 53 . 1 1 15 15 HIS CA C 13 54.8917 0.0170 . 1 . . . . . 15 HIS CA . 27542 1 54 . 1 1 15 15 HIS CB C 13 30.4494 0.0942 . 1 . . . . . 15 HIS CB . 27542 1 55 . 1 1 15 15 HIS N N 15 106.1004 0.0198 . 1 . . . . . 15 HIS N . 27542 1 56 . 1 1 16 16 ILE H H 1 8.3087 0.0016 . 1 . . . . . 16 ILE H . 27542 1 57 . 1 1 16 16 ILE CA C 13 58.8465 0.0216 . 1 . . . . . 16 ILE CA . 27542 1 58 . 1 1 16 16 ILE CB C 13 37.0083 0.0092 . 1 . . . . . 16 ILE CB . 27542 1 59 . 1 1 16 16 ILE N N 15 121.3672 0.0295 . 1 . . . . . 16 ILE N . 27542 1 60 . 1 1 17 17 ASN H H 1 7.9251 0.0040 . 1 . . . . . 17 ASN H . 27542 1 61 . 1 1 17 17 ASN CA C 13 53.7792 0.0725 . 1 . . . . . 17 ASN CA . 27542 1 62 . 1 1 17 17 ASN CB C 13 39.5326 0.0270 . 1 . . . . . 17 ASN CB . 27542 1 63 . 1 1 17 17 ASN N N 15 124.1437 0.0131 . 1 . . . . . 17 ASN N . 27542 1 64 . 1 1 18 18 VAL H H 1 8.5277 0.0010 . 1 . . . . . 18 VAL H . 27542 1 65 . 1 1 18 18 VAL CA C 13 65.4246 0.0155 . 1 . . . . . 18 VAL CA . 27542 1 66 . 1 1 18 18 VAL CB C 13 32.1709 0.0295 . 1 . . . . . 18 VAL CB . 27542 1 67 . 1 1 18 18 VAL N N 15 121.4571 0.0286 . 1 . . . . . 18 VAL N . 27542 1 68 . 1 1 19 19 ASN H H 1 7.9905 0.0033 . 1 . . . . . 19 ASN H . 27542 1 69 . 1 1 19 19 ASN HD21 H 1 6.8059 . . 1 . . . . . 19 ASN HD21 . 27542 1 70 . 1 1 19 19 ASN HD22 H 1 7.5740 . . 1 . . . . . 19 ASN HD22 . 27542 1 71 . 1 1 19 19 ASN CA C 13 51.1871 . . 1 . . . . . 19 ASN CA . 27542 1 72 . 1 1 19 19 ASN CB C 13 39.4085 . . 1 . . . . . 19 ASN CB . 27542 1 73 . 1 1 19 19 ASN N N 15 116.7595 0.0099 . 1 . . . . . 19 ASN N . 27542 1 74 . 1 1 19 19 ASN ND2 N 15 113.2702 0.0029 . 1 . . . . . 19 ASN ND2 . 27542 1 75 . 1 1 21 21 PRO CA C 13 61.7435 0.0149 . 1 . . . . . 21 PRO CA . 27542 1 76 . 1 1 21 21 PRO CB C 13 32.2056 0.0280 . 1 . . . . . 21 PRO CB . 27542 1 77 . 1 1 22 22 ARG H H 1 7.8171 0.0017 . 1 . . . . . 22 ARG H . 27542 1 78 . 1 1 22 22 ARG CA C 13 56.1650 0.0105 . 1 . . . . . 22 ARG CA . 27542 1 79 . 1 1 22 22 ARG CB C 13 30.1609 0.0271 . 1 . . . . . 22 ARG CB . 27542 1 80 . 1 1 22 22 ARG N N 15 112.3117 0.1089 . 1 . . . . . 22 ARG N . 27542 1 81 . 1 1 23 23 CYS H H 1 11.0200 0.0035 . 1 . . . . . 23 CYS H . 27542 1 82 . 1 1 23 23 CYS CA C 13 62.6727 0.0087 . 1 . . . . . 23 CYS CA . 27542 1 83 . 1 1 23 23 CYS CB C 13 42.3259 0.0292 . 1 . . . . . 23 CYS CB . 27542 1 84 . 1 1 23 23 CYS N N 15 123.5604 0.0169 . 1 . . . . . 23 CYS N . 27542 1 85 . 1 1 24 24 THR H H 1 9.9072 0.0035 . 1 . . . . . 24 THR H . 27542 1 86 . 1 1 24 24 THR CA C 13 67.7232 0.0280 . 1 . . . . . 24 THR CA . 27542 1 87 . 1 1 24 24 THR CB C 13 69.8382 0.0785 . 1 . . . . . 24 THR CB . 27542 1 88 . 1 1 24 24 THR N N 15 117.1786 0.0212 . 1 . . . . . 24 THR N . 27542 1 89 . 1 1 25 25 ILE H H 1 7.2473 0.0027 . 1 . . . . . 25 ILE H . 27542 1 90 . 1 1 25 25 ILE CA C 13 63.0839 0.0129 . 1 . . . . . 25 ILE CA . 27542 1 91 . 1 1 25 25 ILE CB C 13 38.0335 0.0346 . 1 . . . . . 25 ILE CB . 27542 1 92 . 1 1 25 25 ILE N N 15 118.3451 0.0532 . 1 . . . . . 25 ILE N . 27542 1 93 . 1 1 26 26 ALA H H 1 8.7834 0.0032 . 1 . . . . . 26 ALA H . 27542 1 94 . 1 1 26 26 ALA CA C 13 54.6893 0.0253 . 1 . . . . . 26 ALA CA . 27542 1 95 . 1 1 26 26 ALA CB C 13 19.0312 0.0523 . 1 . . . . . 26 ALA CB . 27542 1 96 . 1 1 26 26 ALA N N 15 124.0917 0.0118 . 1 . . . . . 26 ALA N . 27542 1 97 . 1 1 27 27 MET H H 1 8.3063 0.0029 . 1 . . . . . 27 MET H . 27542 1 98 . 1 1 27 27 MET CA C 13 53.8558 0.0102 . 1 . . . . . 27 MET CA . 27542 1 99 . 1 1 27 27 MET CB C 13 30.1556 0.0702 . 1 . . . . . 27 MET CB . 27542 1 100 . 1 1 27 27 MET N N 15 109.9185 0.0187 . 1 . . . . . 27 MET N . 27542 1 101 . 1 1 28 28 ARG H H 1 7.4027 0.0025 . 1 . . . . . 28 ARG H . 27542 1 102 . 1 1 28 28 ARG CA C 13 59.8265 0.0130 . 1 . . . . . 28 ARG CA . 27542 1 103 . 1 1 28 28 ARG CB C 13 29.9730 0.0344 . 1 . . . . . 28 ARG CB . 27542 1 104 . 1 1 28 28 ARG N N 15 118.9808 0.0136 . 1 . . . . . 28 ARG N . 27542 1 105 . 1 1 29 29 VAL H H 1 7.3031 0.0029 . 1 . . . . . 29 VAL H . 27542 1 106 . 1 1 29 29 VAL CA C 13 65.6467 0.0012 . 1 . . . . . 29 VAL CA . 27542 1 107 . 1 1 29 29 VAL CB C 13 32.1712 0.0311 . 1 . . . . . 29 VAL CB . 27542 1 108 . 1 1 29 29 VAL N N 15 115.7629 0.0213 . 1 . . . . . 29 VAL N . 27542 1 109 . 1 1 30 30 ILE H H 1 6.8159 0.0027 . 1 . . . . . 30 ILE H . 27542 1 110 . 1 1 30 30 ILE CA C 13 65.2197 0.0484 . 1 . . . . . 30 ILE CA . 27542 1 111 . 1 1 30 30 ILE CB C 13 40.1747 0.0237 . 1 . . . . . 30 ILE CB . 27542 1 112 . 1 1 30 30 ILE N N 15 118.6021 0.0206 . 1 . . . . . 30 ILE N . 27542 1 113 . 1 1 31 31 ASN H H 1 8.4703 0.0025 . 1 . . . . . 31 ASN H . 27542 1 114 . 1 1 31 31 ASN CA C 13 54.9500 0.0049 . 1 . . . . . 31 ASN CA . 27542 1 115 . 1 1 31 31 ASN CB C 13 37.8586 0.0238 . 1 . . . . . 31 ASN CB . 27542 1 116 . 1 1 31 31 ASN N N 15 118.5718 0.0089 . 1 . . . . . 31 ASN N . 27542 1 117 . 1 1 32 32 ASN H H 1 8.4355 0.0038 . 1 . . . . . 32 ASN H . 27542 1 118 . 1 1 32 32 ASN HD21 H 1 6.7471 . . 1 . . . . . 32 ASN HD21 . 27542 1 119 . 1 1 32 32 ASN HD22 H 1 7.3435 . . 1 . . . . . 32 ASN HD22 . 27542 1 120 . 1 1 32 32 ASN CA C 13 55.9784 0.0335 . 1 . . . . . 32 ASN CA . 27542 1 121 . 1 1 32 32 ASN CB C 13 38.3388 0.0507 . 1 . . . . . 32 ASN CB . 27542 1 122 . 1 1 32 32 ASN N N 15 118.2617 0.0299 . 1 . . . . . 32 ASN N . 27542 1 123 . 1 1 32 32 ASN ND2 N 15 111.7402 0.0009 . 1 . . . . . 32 ASN ND2 . 27542 1 124 . 1 1 33 33 TYR H H 1 7.6765 0.0047 . 1 . . . . . 33 TYR H . 27542 1 125 . 1 1 33 33 TYR CA C 13 60.7877 0.0342 . 1 . . . . . 33 TYR CA . 27542 1 126 . 1 1 33 33 TYR CB C 13 39.5315 0.0172 . 1 . . . . . 33 TYR CB . 27542 1 127 . 1 1 33 33 TYR N N 15 116.4732 0.0263 . 1 . . . . . 33 TYR N . 27542 1 128 . 1 1 34 34 GLN H H 1 8.0738 0.0027 . 1 . . . . . 34 GLN H . 27542 1 129 . 1 1 34 34 GLN HE21 H 1 6.9657 . . 1 . . . . . 34 GLN HE21 . 27542 1 130 . 1 1 34 34 GLN HE22 H 1 7.0982 . . 1 . . . . . 34 GLN HE22 . 27542 1 131 . 1 1 34 34 GLN CA C 13 55.9749 0.0445 . 1 . . . . . 34 GLN CA . 27542 1 132 . 1 1 34 34 GLN CB C 13 30.3290 0.0411 . 1 . . . . . 34 GLN CB . 27542 1 133 . 1 1 34 34 GLN N N 15 114.5177 0.0449 . 1 . . . . . 34 GLN N . 27542 1 134 . 1 1 34 34 GLN NE2 N 15 110.7105 0.0094 . 1 . . . . . 34 GLN NE2 . 27542 1 135 . 1 1 35 35 ARG H H 1 8.3600 0.0032 . 1 . . . . . 35 ARG H . 27542 1 136 . 1 1 35 35 ARG CA C 13 57.3465 0.0525 . 1 . . . . . 35 ARG CA . 27542 1 137 . 1 1 35 35 ARG CB C 13 27.5775 0.0729 . 1 . . . . . 35 ARG CB . 27542 1 138 . 1 1 35 35 ARG N N 15 115.6604 0.0176 . 1 . . . . . 35 ARG N . 27542 1 139 . 1 1 36 36 ARG H H 1 7.8205 0.0026 . 1 . . . . . 36 ARG H . 27542 1 140 . 1 1 36 36 ARG CA C 13 54.9533 0.0226 . 1 . . . . . 36 ARG CA . 27542 1 141 . 1 1 36 36 ARG CB C 13 32.7464 0.0175 . 1 . . . . . 36 ARG CB . 27542 1 142 . 1 1 36 36 ARG N N 15 115.4779 0.0303 . 1 . . . . . 36 ARG N . 27542 1 143 . 1 1 37 37 CYS H H 1 9.1317 0.0018 . 1 . . . . . 37 CYS H . 27542 1 144 . 1 1 37 37 CYS CA C 13 54.4115 0.0475 . 1 . . . . . 37 CYS CA . 27542 1 145 . 1 1 37 37 CYS CB C 13 41.1458 0.0245 . 1 . . . . . 37 CYS CB . 27542 1 146 . 1 1 37 37 CYS N N 15 119.0819 0.0169 . 1 . . . . . 37 CYS N . 27542 1 147 . 1 1 38 38 LYS H H 1 8.6502 0.0043 . 1 . . . . . 38 LYS H . 27542 1 148 . 1 1 38 38 LYS CA C 13 57.2796 0.0060 . 1 . . . . . 38 LYS CA . 27542 1 149 . 1 1 38 38 LYS CB C 13 33.2689 0.0133 . 1 . . . . . 38 LYS CB . 27542 1 150 . 1 1 38 38 LYS N N 15 125.8737 0.0165 . 1 . . . . . 38 LYS N . 27542 1 151 . 1 1 39 39 ASN H H 1 9.3475 0.0051 . 1 . . . . . 39 ASN H . 27542 1 152 . 1 1 39 39 ASN HD21 H 1 7.0810 . . 1 . . . . . 39 ASN HD21 . 27542 1 153 . 1 1 39 39 ASN HD22 H 1 7.7916 . . 1 . . . . . 39 ASN HD22 . 27542 1 154 . 1 1 39 39 ASN CA C 13 57.1788 0.0204 . 1 . . . . . 39 ASN CA . 27542 1 155 . 1 1 39 39 ASN CB C 13 38.5217 0.0326 . 1 . . . . . 39 ASN CB . 27542 1 156 . 1 1 39 39 ASN N N 15 126.7170 0.0500 . 1 . . . . . 39 ASN N . 27542 1 157 . 1 1 39 39 ASN ND2 N 15 113.1062 0.0027 . 1 . . . . . 39 ASN ND2 . 27542 1 158 . 1 1 40 40 GLN H H 1 7.8141 0.0028 . 1 . . . . . 40 GLN H . 27542 1 159 . 1 1 40 40 GLN HE21 H 1 6.8957 . . 1 . . . . . 40 GLN HE21 . 27542 1 160 . 1 1 40 40 GLN HE22 H 1 7.5457 . . 1 . . . . . 40 GLN HE22 . 27542 1 161 . 1 1 40 40 GLN CA C 13 54.2402 0.0100 . 1 . . . . . 40 GLN CA . 27542 1 162 . 1 1 40 40 GLN CB C 13 32.4774 0.0485 . 1 . . . . . 40 GLN CB . 27542 1 163 . 1 1 40 40 GLN N N 15 113.6514 0.0636 . 1 . . . . . 40 GLN N . 27542 1 164 . 1 1 40 40 GLN NE2 N 15 112.1225 0.0157 . 1 . . . . . 40 GLN NE2 . 27542 1 165 . 1 1 41 41 ASN H H 1 8.2370 0.0038 . 1 . . . . . 41 ASN H . 27542 1 166 . 1 1 41 41 ASN CA C 13 54.5752 0.0678 . 1 . . . . . 41 ASN CA . 27542 1 167 . 1 1 41 41 ASN CB C 13 44.4486 0.0441 . 1 . . . . . 41 ASN CB . 27542 1 168 . 1 1 41 41 ASN N N 15 114.9694 0.0226 . 1 . . . . . 41 ASN N . 27542 1 169 . 1 1 42 42 THR H H 1 7.9980 0.0053 . 1 . . . . . 42 THR H . 27542 1 170 . 1 1 42 42 THR CA C 13 62.1394 0.0430 . 1 . . . . . 42 THR CA . 27542 1 171 . 1 1 42 42 THR CB C 13 70.3408 0.0529 . 1 . . . . . 42 THR CB . 27542 1 172 . 1 1 42 42 THR N N 15 121.6954 0.0716 . 1 . . . . . 42 THR N . 27542 1 173 . 1 1 43 43 PHE H H 1 9.4759 0.0034 . 1 . . . . . 43 PHE H . 27542 1 174 . 1 1 43 43 PHE CA C 13 57.3793 0.0216 . 1 . . . . . 43 PHE CA . 27542 1 175 . 1 1 43 43 PHE CB C 13 40.5205 0.0295 . 1 . . . . . 43 PHE CB . 27542 1 176 . 1 1 43 43 PHE N N 15 125.4641 0.0256 . 1 . . . . . 43 PHE N . 27542 1 177 . 1 1 44 44 LEU H H 1 9.5399 0.0031 . 1 . . . . . 44 LEU H . 27542 1 178 . 1 1 44 44 LEU CA C 13 54.1679 0.0744 . 1 . . . . . 44 LEU CA . 27542 1 179 . 1 1 44 44 LEU CB C 13 42.6648 0.0282 . 1 . . . . . 44 LEU CB . 27542 1 180 . 1 1 44 44 LEU N N 15 124.2063 0.0181 . 1 . . . . . 44 LEU N . 27542 1 181 . 1 1 45 45 ARG H H 1 8.5518 0.0093 . 1 . . . . . 45 ARG H . 27542 1 182 . 1 1 45 45 ARG CA C 13 54.2259 0.0637 . 1 . . . . . 45 ARG CA . 27542 1 183 . 1 1 45 45 ARG CB C 13 26.9981 0.0519 . 1 . . . . . 45 ARG CB . 27542 1 184 . 1 1 45 45 ARG N N 15 125.7639 0.0268 . 1 . . . . . 45 ARG N . 27542 1 185 . 1 1 46 46 THR H H 1 7.5141 0.0043 . 1 . . . . . 46 THR H . 27542 1 186 . 1 1 46 46 THR CA C 13 58.7880 0.0248 . 1 . . . . . 46 THR CA . 27542 1 187 . 1 1 46 46 THR CB C 13 69.0876 0.0241 . 1 . . . . . 46 THR CB . 27542 1 188 . 1 1 46 46 THR N N 15 116.6041 0.0153 . 1 . . . . . 46 THR N . 27542 1 189 . 1 1 47 47 THR H H 1 7.9697 0.0033 . 1 . . . . . 47 THR H . 27542 1 190 . 1 1 47 47 THR CA C 13 59.3058 0.0212 . 1 . . . . . 47 THR CA . 27542 1 191 . 1 1 47 47 THR CB C 13 71.4489 0.0534 . 1 . . . . . 47 THR CB . 27542 1 192 . 1 1 47 47 THR N N 15 107.4976 0.0223 . 1 . . . . . 47 THR N . 27542 1 193 . 1 1 48 48 PHE H H 1 9.5121 0.0018 . 1 . . . . . 48 PHE H . 27542 1 194 . 1 1 48 48 PHE CA C 13 62.1537 0.0210 . 1 . . . . . 48 PHE CA . 27542 1 195 . 1 1 48 48 PHE CB C 13 39.0604 0.0136 . 1 . . . . . 48 PHE CB . 27542 1 196 . 1 1 48 48 PHE N N 15 123.4109 0.0223 . 1 . . . . . 48 PHE N . 27542 1 197 . 1 1 49 49 ALA H H 1 8.7328 0.0015 . 1 . . . . . 49 ALA H . 27542 1 198 . 1 1 49 49 ALA CA C 13 55.4138 0.0257 . 1 . . . . . 49 ALA CA . 27542 1 199 . 1 1 49 49 ALA CB C 13 18.8469 0.0374 . 1 . . . . . 49 ALA CB . 27542 1 200 . 1 1 49 49 ALA N N 15 120.3420 0.0203 . 1 . . . . . 49 ALA N . 27542 1 201 . 1 1 50 50 TYR H H 1 7.7499 0.0038 . 1 . . . . . 50 TYR H . 27542 1 202 . 1 1 50 50 TYR CA C 13 60.9274 0.0146 . 1 . . . . . 50 TYR CA . 27542 1 203 . 1 1 50 50 TYR CB C 13 37.0486 0.0324 . 1 . . . . . 50 TYR CB . 27542 1 204 . 1 1 50 50 TYR N N 15 117.4855 0.0510 . 1 . . . . . 50 TYR N . 27542 1 205 . 1 1 51 51 THR H H 1 7.8547 0.0025 . 1 . . . . . 51 THR H . 27542 1 206 . 1 1 51 51 THR CA C 13 65.8265 0.0247 . 1 . . . . . 51 THR CA . 27542 1 207 . 1 1 51 51 THR CB C 13 68.4596 0.0563 . 1 . . . . . 51 THR CB . 27542 1 208 . 1 1 51 51 THR N N 15 114.7690 0.0232 . 1 . . . . . 51 THR N . 27542 1 209 . 1 1 52 52 ALA H H 1 8.2791 0.0042 . 1 . . . . . 52 ALA H . 27542 1 210 . 1 1 52 52 ALA CA C 13 55.1210 0.1110 . 1 . . . . . 52 ALA CA . 27542 1 211 . 1 1 52 52 ALA CB C 13 16.7099 0.0580 . 1 . . . . . 52 ALA CB . 27542 1 212 . 1 1 52 52 ALA N N 15 123.0338 0.0401 . 1 . . . . . 52 ALA N . 27542 1 213 . 1 1 53 53 ASN H H 1 7.6338 0.0024 . 1 . . . . . 53 ASN H . 27542 1 214 . 1 1 53 53 ASN HD21 H 1 7.0044 . . 1 . . . . . 53 ASN HD21 . 27542 1 215 . 1 1 53 53 ASN HD22 H 1 7.5617 . . 1 . . . . . 53 ASN HD22 . 27542 1 216 . 1 1 53 53 ASN CA C 13 55.8854 0.0528 . 1 . . . . . 53 ASN CA . 27542 1 217 . 1 1 53 53 ASN CB C 13 38.2340 0.0241 . 1 . . . . . 53 ASN CB . 27542 1 218 . 1 1 53 53 ASN N N 15 116.3816 0.0342 . 1 . . . . . 53 ASN N . 27542 1 219 . 1 1 53 53 ASN ND2 N 15 112.4534 0.0017 . 1 . . . . . 53 ASN ND2 . 27542 1 220 . 1 1 54 54 VAL H H 1 7.6310 0.0026 . 1 . . . . . 54 VAL H . 27542 1 221 . 1 1 54 54 VAL CA C 13 66.1085 0.0149 . 1 . . . . . 54 VAL CA . 27542 1 222 . 1 1 54 54 VAL CB C 13 30.6817 0.0075 . 1 . . . . . 54 VAL CB . 27542 1 223 . 1 1 54 54 VAL N N 15 124.3627 0.0284 . 1 . . . . . 54 VAL N . 27542 1 224 . 1 1 55 55 CYS H H 1 7.0585 0.0068 . 1 . . . . . 55 CYS H . 27542 1 225 . 1 1 55 55 CYS CA C 13 55.1364 0.1083 . 1 . . . . . 55 CYS CA . 27542 1 226 . 1 1 55 55 CYS CB C 13 39.4320 0.0611 . 1 . . . . . 55 CYS CB . 27542 1 227 . 1 1 55 55 CYS N N 15 113.3838 0.0508 . 1 . . . . . 55 CYS N . 27542 1 228 . 1 1 56 56 ARG H H 1 7.2094 0.0043 . 1 . . . . . 56 ARG H . 27542 1 229 . 1 1 56 56 ARG CA C 13 56.0029 0.0273 . 1 . . . . . 56 ARG CA . 27542 1 230 . 1 1 56 56 ARG CB C 13 30.1191 0.0022 . 1 . . . . . 56 ARG CB . 27542 1 231 . 1 1 56 56 ARG N N 15 115.1933 0.0415 . 1 . . . . . 56 ARG N . 27542 1 232 . 1 1 57 57 ASN H H 1 7.6821 0.0038 . 1 . . . . . 57 ASN H . 27542 1 233 . 1 1 57 57 ASN CA C 13 52.2157 0.0210 . 1 . . . . . 57 ASN CA . 27542 1 234 . 1 1 57 57 ASN CB C 13 37.9393 0.0418 . 1 . . . . . 57 ASN CB . 27542 1 235 . 1 1 57 57 ASN N N 15 119.3179 0.0128 . 1 . . . . . 57 ASN N . 27542 1 236 . 1 1 58 58 GLU H H 1 8.8036 0.0045 . 1 . . . . . 58 GLU H . 27542 1 237 . 1 1 58 58 GLU CA C 13 57.9115 0.0364 . 1 . . . . . 58 GLU CA . 27542 1 238 . 1 1 58 58 GLU CB C 13 29.8055 0.1870 . 1 . . . . . 58 GLU CB . 27542 1 239 . 1 1 58 58 GLU N N 15 121.7079 0.0480 . 1 . . . . . 58 GLU N . 27542 1 240 . 1 1 59 59 ARG H H 1 8.3921 0.0097 . 1 . . . . . 59 ARG H . 27542 1 241 . 1 1 59 59 ARG CB C 13 30.8371 0.0570 . 1 . . . . . 59 ARG CB . 27542 1 242 . 1 1 59 59 ARG N N 15 124.3019 0.0345 . 1 . . . . . 59 ARG N . 27542 1 243 . 1 1 60 60 ILE H H 1 8.5422 0.0036 . 1 . . . . . 60 ILE H . 27542 1 244 . 1 1 60 60 ILE CA C 13 58.9822 0.0252 . 1 . . . . . 60 ILE CA . 27542 1 245 . 1 1 60 60 ILE CB C 13 43.1342 0.1309 . 1 . . . . . 60 ILE CB . 27542 1 246 . 1 1 60 60 ILE N N 15 119.5313 0.0952 . 1 . . . . . 60 ILE N . 27542 1 247 . 1 1 61 61 ARG H H 1 8.1483 0.0033 . 1 . . . . . 61 ARG H . 27542 1 248 . 1 1 61 61 ARG CA C 13 56.1881 0.0621 . 1 . . . . . 61 ARG CA . 27542 1 249 . 1 1 61 61 ARG CB C 13 30.3362 0.0771 . 1 . . . . . 61 ARG CB . 27542 1 250 . 1 1 61 61 ARG N N 15 120.3825 0.0538 . 1 . . . . . 61 ARG N . 27542 1 251 . 1 1 62 62 CYS H H 1 8.2556 0.0092 . 1 . . . . . 62 CYS H . 27542 1 252 . 1 1 62 62 CYS CA C 13 52.9052 . . 1 . . . . . 62 CYS CA . 27542 1 253 . 1 1 62 62 CYS CB C 13 40.9021 . . 1 . . . . . 62 CYS CB . 27542 1 254 . 1 1 62 62 CYS N N 15 126.2032 0.1118 . 1 . . . . . 62 CYS N . 27542 1 255 . 1 1 63 63 PRO CA C 13 65.1837 0.0123 . 1 . . . . . 63 PRO CA . 27542 1 256 . 1 1 63 63 PRO CB C 13 32.7297 0.0614 . 1 . . . . . 63 PRO CB . 27542 1 257 . 1 1 64 64 ARG H H 1 10.4790 0.0044 . 1 . . . . . 64 ARG H . 27542 1 258 . 1 1 64 64 ARG CA C 13 56.7731 0.0732 . 1 . . . . . 64 ARG CA . 27542 1 259 . 1 1 64 64 ARG CB C 13 29.3892 0.0064 . 1 . . . . . 64 ARG CB . 27542 1 260 . 1 1 64 64 ARG N N 15 118.4467 0.0588 . 1 . . . . . 64 ARG N . 27542 1 261 . 1 1 65 65 ASN H H 1 8.4420 0.0044 . 1 . . . . . 65 ASN H . 27542 1 262 . 1 1 65 65 ASN CA C 13 52.4959 0.0146 . 1 . . . . . 65 ASN CA . 27542 1 263 . 1 1 65 65 ASN CB C 13 37.4834 0.0446 . 1 . . . . . 65 ASN CB . 27542 1 264 . 1 1 65 65 ASN N N 15 119.2923 0.0598 . 1 . . . . . 65 ASN N . 27542 1 265 . 1 1 66 66 ARG H H 1 8.1096 0.0069 . 1 . . . . . 66 ARG H . 27542 1 266 . 1 1 66 66 ARG CA C 13 58.1169 0.0841 . 1 . . . . . 66 ARG CA . 27542 1 267 . 1 1 66 66 ARG CB C 13 29.8887 0.1115 . 1 . . . . . 66 ARG CB . 27542 1 268 . 1 1 66 66 ARG N N 15 120.0385 0.0740 . 1 . . . . . 66 ARG N . 27542 1 269 . 1 1 67 67 THR H H 1 7.7472 0.0037 . 1 . . . . . 67 THR H . 27542 1 270 . 1 1 67 67 THR CA C 13 62.9019 0.0229 . 1 . . . . . 67 THR CA . 27542 1 271 . 1 1 67 67 THR CB C 13 69.1065 0.0635 . 1 . . . . . 67 THR CB . 27542 1 272 . 1 1 67 67 THR N N 15 109.3185 0.0877 . 1 . . . . . 67 THR N . 27542 1 273 . 1 1 68 68 LEU H H 1 7.9390 0.0037 . 1 . . . . . 68 LEU H . 27542 1 274 . 1 1 68 68 LEU CA C 13 54.3292 0.0075 . 1 . . . . . 68 LEU CA . 27542 1 275 . 1 1 68 68 LEU CB C 13 43.7477 0.0462 . 1 . . . . . 68 LEU CB . 27542 1 276 . 1 1 68 68 LEU N N 15 122.8855 0.0485 . 1 . . . . . 68 LEU N . 27542 1 277 . 1 1 69 69 HIS H H 1 8.9087 0.0041 . 1 . . . . . 69 HIS H . 27542 1 278 . 1 1 69 69 HIS CA C 13 54.3990 0.0249 . 1 . . . . . 69 HIS CA . 27542 1 279 . 1 1 69 69 HIS CB C 13 30.0188 0.0782 . 1 . . . . . 69 HIS CB . 27542 1 280 . 1 1 69 69 HIS N N 15 119.8448 0.0335 . 1 . . . . . 69 HIS N . 27542 1 281 . 1 1 70 70 ASN H H 1 8.5607 0.0108 . 1 . . . . . 70 ASN H . 27542 1 282 . 1 1 70 70 ASN CA C 13 51.9941 0.0574 . 1 . . . . . 70 ASN CA . 27542 1 283 . 1 1 70 70 ASN CB C 13 37.3257 0.0490 . 1 . . . . . 70 ASN CB . 27542 1 284 . 1 1 70 70 ASN N N 15 117.6969 0.0467 . 1 . . . . . 70 ASN N . 27542 1 285 . 1 1 71 71 CYS H H 1 7.5673 0.0071 . 1 . . . . . 71 CYS H . 27542 1 286 . 1 1 71 71 CYS CA C 13 60.5185 0.0035 . 1 . . . . . 71 CYS CA . 27542 1 287 . 1 1 71 71 CYS CB C 13 47.2017 0.0950 . 1 . . . . . 71 CYS CB . 27542 1 288 . 1 1 71 71 CYS N N 15 116.1917 0.0425 . 1 . . . . . 71 CYS N . 27542 1 289 . 1 1 72 72 HIS H H 1 8.5034 0.0084 . 1 . . . . . 72 HIS H . 27542 1 290 . 1 1 72 72 HIS CA C 13 55.3516 0.0357 . 1 . . . . . 72 HIS CA . 27542 1 291 . 1 1 72 72 HIS CB C 13 33.6627 0.0273 . 1 . . . . . 72 HIS CB . 27542 1 292 . 1 1 72 72 HIS N N 15 116.0074 0.0606 . 1 . . . . . 72 HIS N . 27542 1 293 . 1 1 73 73 ARG H H 1 9.7961 0.0042 . 1 . . . . . 73 ARG H . 27542 1 294 . 1 1 73 73 ARG CA C 13 53.7127 0.0619 . 1 . . . . . 73 ARG CA . 27542 1 295 . 1 1 73 73 ARG CB C 13 32.9295 0.1103 . 1 . . . . . 73 ARG CB . 27542 1 296 . 1 1 73 73 ARG N N 15 126.5166 0.0396 . 1 . . . . . 73 ARG N . 27542 1 297 . 1 1 74 74 SER H H 1 9.0789 0.0030 . 1 . . . . . 74 SER H . 27542 1 298 . 1 1 74 74 SER CA C 13 59.2849 0.0066 . 1 . . . . . 74 SER CA . 27542 1 299 . 1 1 74 74 SER CB C 13 63.3767 0.0275 . 1 . . . . . 74 SER CB . 27542 1 300 . 1 1 74 74 SER N N 15 124.7505 0.0260 . 1 . . . . . 74 SER N . 27542 1 301 . 1 1 75 75 ARG H H 1 8.9392 0.0071 . 1 . . . . . 75 ARG H . 27542 1 302 . 1 1 75 75 ARG CA C 13 57.4456 0.0375 . 1 . . . . . 75 ARG CA . 27542 1 303 . 1 1 75 75 ARG CB C 13 30.5097 0.0495 . 1 . . . . . 75 ARG CB . 27542 1 304 . 1 1 75 75 ARG N N 15 121.7338 0.0405 . 1 . . . . . 75 ARG N . 27542 1 305 . 1 1 76 76 TYR H H 1 7.5844 0.0026 . 1 . . . . . 76 TYR H . 27542 1 306 . 1 1 76 76 TYR CA C 13 54.9368 0.0116 . 1 . . . . . 76 TYR CA . 27542 1 307 . 1 1 76 76 TYR CB C 13 41.1580 0.0178 . 1 . . . . . 76 TYR CB . 27542 1 308 . 1 1 76 76 TYR N N 15 113.7964 0.0219 . 1 . . . . . 76 TYR N . 27542 1 309 . 1 1 77 77 ARG H H 1 8.5964 0.0019 . 1 . . . . . 77 ARG H . 27542 1 310 . 1 1 77 77 ARG CA C 13 55.5586 0.0447 . 1 . . . . . 77 ARG CA . 27542 1 311 . 1 1 77 77 ARG CB C 13 31.3702 0.0480 . 1 . . . . . 77 ARG CB . 27542 1 312 . 1 1 77 77 ARG N N 15 121.7193 0.0232 . 1 . . . . . 77 ARG N . 27542 1 313 . 1 1 78 78 VAL H H 1 8.5043 0.0038 . 1 . . . . . 78 VAL H . 27542 1 314 . 1 1 78 78 VAL CA C 13 57.4035 . . 1 . . . . . 78 VAL CA . 27542 1 315 . 1 1 78 78 VAL CB C 13 34.1564 . . 1 . . . . . 78 VAL CB . 27542 1 316 . 1 1 78 78 VAL N N 15 117.7499 0.0221 . 1 . . . . . 78 VAL N . 27542 1 317 . 1 1 79 79 PRO CA C 13 62.0047 0.0142 . 1 . . . . . 79 PRO CA . 27542 1 318 . 1 1 79 79 PRO CB C 13 31.6426 0.0090 . 1 . . . . . 79 PRO CB . 27542 1 319 . 1 1 80 80 LEU H H 1 8.8167 0.0039 . 1 . . . . . 80 LEU H . 27542 1 320 . 1 1 80 80 LEU CA C 13 53.7938 0.0208 . 1 . . . . . 80 LEU CA . 27542 1 321 . 1 1 80 80 LEU CB C 13 45.6069 0.0195 . 1 . . . . . 80 LEU CB . 27542 1 322 . 1 1 80 80 LEU N N 15 116.2443 0.0175 . 1 . . . . . 80 LEU N . 27542 1 323 . 1 1 81 81 LEU H H 1 9.3840 0.0035 . 1 . . . . . 81 LEU H . 27542 1 324 . 1 1 81 81 LEU CA C 13 54.7749 0.0050 . 1 . . . . . 81 LEU CA . 27542 1 325 . 1 1 81 81 LEU CB C 13 46.0518 0.0759 . 1 . . . . . 81 LEU CB . 27542 1 326 . 1 1 81 81 LEU N N 15 124.2934 0.0221 . 1 . . . . . 81 LEU N . 27542 1 327 . 1 1 82 82 HIS H H 1 8.3306 0.0029 . 1 . . . . . 82 HIS H . 27542 1 328 . 1 1 82 82 HIS CA C 13 55.3665 0.1373 . 1 . . . . . 82 HIS CA . 27542 1 329 . 1 1 82 82 HIS CB C 13 30.8722 0.0412 . 1 . . . . . 82 HIS CB . 27542 1 330 . 1 1 82 82 HIS N N 15 127.3827 0.0079 . 1 . . . . . 82 HIS N . 27542 1 331 . 1 1 83 83 CYS H H 1 8.4001 0.0054 . 1 . . . . . 83 CYS H . 27542 1 332 . 1 1 83 83 CYS CA C 13 51.8132 0.0096 . 1 . . . . . 83 CYS CA . 27542 1 333 . 1 1 83 83 CYS CB C 13 39.8378 0.0506 . 1 . . . . . 83 CYS CB . 27542 1 334 . 1 1 83 83 CYS N N 15 123.3785 0.0453 . 1 . . . . . 83 CYS N . 27542 1 335 . 1 1 84 84 ASP H H 1 8.3425 0.0035 . 1 . . . . . 84 ASP H . 27542 1 336 . 1 1 84 84 ASP CA C 13 53.9901 0.0390 . 1 . . . . . 84 ASP CA . 27542 1 337 . 1 1 84 84 ASP CB C 13 45.3205 0.0300 . 1 . . . . . 84 ASP CB . 27542 1 338 . 1 1 84 84 ASP N N 15 121.8248 0.0174 . 1 . . . . . 84 ASP N . 27542 1 339 . 1 1 85 85 LEU H H 1 8.7341 0.0027 . 1 . . . . . 85 LEU H . 27542 1 340 . 1 1 85 85 LEU CA C 13 56.0146 0.0161 . 1 . . . . . 85 LEU CA . 27542 1 341 . 1 1 85 85 LEU CB C 13 42.7972 0.0568 . 1 . . . . . 85 LEU CB . 27542 1 342 . 1 1 85 85 LEU N N 15 127.1673 0.0271 . 1 . . . . . 85 LEU N . 27542 1 343 . 1 1 86 86 ILE H H 1 8.9131 0.0028 . 1 . . . . . 86 ILE H . 27542 1 344 . 1 1 86 86 ILE CA C 13 62.7796 0.0312 . 1 . . . . . 86 ILE CA . 27542 1 345 . 1 1 86 86 ILE CB C 13 39.0110 0.0374 . 1 . . . . . 86 ILE CB . 27542 1 346 . 1 1 86 86 ILE N N 15 126.5941 0.0247 . 1 . . . . . 86 ILE N . 27542 1 347 . 1 1 87 87 ASN H H 1 8.4642 0.0021 . 1 . . . . . 87 ASN H . 27542 1 348 . 1 1 87 87 ASN HD21 H 1 7.0303 . . 1 . . . . . 87 ASN HD21 . 27542 1 349 . 1 1 87 87 ASN HD22 H 1 7.5172 . . 1 . . . . . 87 ASN HD22 . 27542 1 350 . 1 1 87 87 ASN CA C 13 51.2735 . . 1 . . . . . 87 ASN CA . 27542 1 351 . 1 1 87 87 ASN CB C 13 36.7235 . . 1 . . . . . 87 ASN CB . 27542 1 352 . 1 1 87 87 ASN N N 15 115.8642 0.0339 . 1 . . . . . 87 ASN N . 27542 1 353 . 1 1 87 87 ASN ND2 N 15 109.3970 0.0281 . 1 . . . . . 87 ASN ND2 . 27542 1 354 . 1 1 88 88 PRO CA C 13 63.9096 0.0074 . 1 . . . . . 88 PRO CA . 27542 1 355 . 1 1 88 88 PRO CB C 13 31.7813 0.0192 . 1 . . . . . 88 PRO CB . 27542 1 356 . 1 1 89 89 GLY H H 1 8.6419 0.0036 . 1 . . . . . 89 GLY H . 27542 1 357 . 1 1 89 89 GLY CA C 13 44.8980 0.0099 . 1 . . . . . 89 GLY CA . 27542 1 358 . 1 1 89 89 GLY N N 15 109.0107 0.0221 . 1 . . . . . 89 GLY N . 27542 1 359 . 1 1 90 90 ALA H H 1 7.6654 0.0036 . 1 . . . . . 90 ALA H . 27542 1 360 . 1 1 90 90 ALA CA C 13 53.2676 0.0219 . 1 . . . . . 90 ALA CA . 27542 1 361 . 1 1 90 90 ALA CB C 13 19.2335 0.0183 . 1 . . . . . 90 ALA CB . 27542 1 362 . 1 1 90 90 ALA N N 15 124.2531 0.0193 . 1 . . . . . 90 ALA N . 27542 1 363 . 1 1 91 91 GLN H H 1 8.5273 0.0016 . 1 . . . . . 91 GLN H . 27542 1 364 . 1 1 91 91 GLN HE21 H 1 6.8716 . . 1 . . . . . 91 GLN HE21 . 27542 1 365 . 1 1 91 91 GLN HE22 H 1 7.4714 . . 1 . . . . . 91 GLN HE22 . 27542 1 366 . 1 1 91 91 GLN CA C 13 57.0008 0.0285 . 1 . . . . . 91 GLN CA . 27542 1 367 . 1 1 91 91 GLN CB C 13 29.5724 0.0322 . 1 . . . . . 91 GLN CB . 27542 1 368 . 1 1 91 91 GLN N N 15 120.7944 0.0271 . 1 . . . . . 91 GLN N . 27542 1 369 . 1 1 91 91 GLN NE2 N 15 112.6388 0.0011 . 1 . . . . . 91 GLN NE2 . 27542 1 370 . 1 1 92 92 ASN H H 1 7.7494 0.0029 . 1 . . . . . 92 ASN H . 27542 1 371 . 1 1 92 92 ASN HD21 H 1 7.0443 . . 1 . . . . . 92 ASN HD21 . 27542 1 372 . 1 1 92 92 ASN HD22 H 1 7.7447 . . 1 . . . . . 92 ASN HD22 . 27542 1 373 . 1 1 92 92 ASN CA C 13 52.0454 0.0218 . 1 . . . . . 92 ASN CA . 27542 1 374 . 1 1 92 92 ASN CB C 13 39.6907 0.0402 . 1 . . . . . 92 ASN CB . 27542 1 375 . 1 1 92 92 ASN N N 15 115.5346 0.0240 . 1 . . . . . 92 ASN N . 27542 1 376 . 1 1 92 92 ASN ND2 N 15 113.9835 0.0123 . 1 . . . . . 92 ASN ND2 . 27542 1 377 . 1 1 93 93 ILE H H 1 8.7013 0.0020 . 1 . . . . . 93 ILE H . 27542 1 378 . 1 1 93 93 ILE CA C 13 64.0140 0.0644 . 1 . . . . . 93 ILE CA . 27542 1 379 . 1 1 93 93 ILE CB C 13 38.5469 0.0863 . 1 . . . . . 93 ILE CB . 27542 1 380 . 1 1 93 93 ILE N N 15 121.7915 0.0281 . 1 . . . . . 93 ILE N . 27542 1 381 . 1 1 94 94 SER H H 1 8.5042 0.0040 . 1 . . . . . 94 SER H . 27542 1 382 . 1 1 94 94 SER CA C 13 60.8866 0.0506 . 1 . . . . . 94 SER CA . 27542 1 383 . 1 1 94 94 SER CB C 13 62.8510 0.0759 . 1 . . . . . 94 SER CB . 27542 1 384 . 1 1 94 94 SER N N 15 116.4085 0.0570 . 1 . . . . . 94 SER N . 27542 1 385 . 1 1 95 95 THR H H 1 7.9736 0.0022 . 1 . . . . . 95 THR H . 27542 1 386 . 1 1 95 95 THR CA C 13 61.5999 0.0422 . 1 . . . . . 95 THR CA . 27542 1 387 . 1 1 95 95 THR CB C 13 69.5926 0.0347 . 1 . . . . . 95 THR CB . 27542 1 388 . 1 1 95 95 THR N N 15 111.2152 0.0205 . 1 . . . . . 95 THR N . 27542 1 389 . 1 1 96 96 CYS H H 1 7.3889 0.0025 . 1 . . . . . 96 CYS H . 27542 1 390 . 1 1 96 96 CYS CA C 13 56.2081 0.0475 . 1 . . . . . 96 CYS CA . 27542 1 391 . 1 1 96 96 CYS CB C 13 42.5878 0.0242 . 1 . . . . . 96 CYS CB . 27542 1 392 . 1 1 96 96 CYS N N 15 121.7941 0.0232 . 1 . . . . . 96 CYS N . 27542 1 393 . 1 1 97 97 ARG H H 1 9.8750 0.0022 . 1 . . . . . 97 ARG H . 27542 1 394 . 1 1 97 97 ARG CA C 13 55.2667 0.0554 . 1 . . . . . 97 ARG CA . 27542 1 395 . 1 1 97 97 ARG CB C 13 33.4987 0.0265 . 1 . . . . . 97 ARG CB . 27542 1 396 . 1 1 97 97 ARG N N 15 128.4860 0.0242 . 1 . . . . . 97 ARG N . 27542 1 397 . 1 1 98 98 TYR H H 1 8.3806 0.0026 . 1 . . . . . 98 TYR H . 27542 1 398 . 1 1 98 98 TYR CA C 13 56.3893 0.0058 . 1 . . . . . 98 TYR CA . 27542 1 399 . 1 1 98 98 TYR CB C 13 44.5362 0.0211 . 1 . . . . . 98 TYR CB . 27542 1 400 . 1 1 98 98 TYR N N 15 118.2704 0.1225 . 1 . . . . . 98 TYR N . 27542 1 401 . 1 1 99 99 ALA H H 1 9.4774 0.0019 . 1 . . . . . 99 ALA H . 27542 1 402 . 1 1 99 99 ALA CA C 13 51.0396 0.0248 . 1 . . . . . 99 ALA CA . 27542 1 403 . 1 1 99 99 ALA CB C 13 20.4058 0.0222 . 1 . . . . . 99 ALA CB . 27542 1 404 . 1 1 99 99 ALA N N 15 126.1054 0.0316 . 1 . . . . . 99 ALA N . 27542 1 405 . 1 1 100 100 ASP H H 1 8.3224 0.0013 . 1 . . . . . 100 ASP H . 27542 1 406 . 1 1 100 100 ASP CA C 13 54.9203 0.0270 . 1 . . . . . 100 ASP CA . 27542 1 407 . 1 1 100 100 ASP CB C 13 43.7398 0.0182 . 1 . . . . . 100 ASP CB . 27542 1 408 . 1 1 100 100 ASP N N 15 120.9119 0.0326 . 1 . . . . . 100 ASP N . 27542 1 409 . 1 1 101 101 ARG H H 1 9.2314 0.0028 . 1 . . . . . 101 ARG H . 27542 1 410 . 1 1 101 101 ARG CA C 13 53.3951 . . 1 . . . . . 101 ARG CA . 27542 1 411 . 1 1 101 101 ARG CB C 13 31.8670 . . 1 . . . . . 101 ARG CB . 27542 1 412 . 1 1 101 101 ARG N N 15 122.4886 0.0248 . 1 . . . . . 101 ARG N . 27542 1 413 . 1 1 102 102 PRO CA C 13 62.6407 0.0171 . 1 . . . . . 102 PRO CA . 27542 1 414 . 1 1 102 102 PRO CB C 13 33.0033 0.0320 . 1 . . . . . 102 PRO CB . 27542 1 415 . 1 1 103 103 GLY H H 1 8.0676 0.0025 . 1 . . . . . 103 GLY H . 27542 1 416 . 1 1 103 103 GLY CA C 13 45.6759 0.0103 . 1 . . . . . 103 GLY CA . 27542 1 417 . 1 1 103 103 GLY N N 15 105.8361 0.0234 . 1 . . . . . 103 GLY N . 27542 1 418 . 1 1 104 104 ARG H H 1 8.6732 0.0030 . 1 . . . . . 104 ARG H . 27542 1 419 . 1 1 104 104 ARG CA C 13 56.4760 0.0654 . 1 . . . . . 104 ARG CA . 27542 1 420 . 1 1 104 104 ARG CB C 13 31.5723 0.0267 . 1 . . . . . 104 ARG CB . 27542 1 421 . 1 1 104 104 ARG N N 15 123.3551 0.0080 . 1 . . . . . 104 ARG N . 27542 1 422 . 1 1 105 105 ARG H H 1 8.1342 0.0032 . 1 . . . . . 105 ARG H . 27542 1 423 . 1 1 105 105 ARG CA C 13 55.0825 0.0365 . 1 . . . . . 105 ARG CA . 27542 1 424 . 1 1 105 105 ARG CB C 13 37.4362 0.0408 . 1 . . . . . 105 ARG CB . 27542 1 425 . 1 1 105 105 ARG N N 15 122.1648 0.0937 . 1 . . . . . 105 ARG N . 27542 1 426 . 1 1 106 106 PHE H H 1 8.7571 0.0018 . 1 . . . . . 106 PHE H . 27542 1 427 . 1 1 106 106 PHE CA C 13 58.8178 0.0334 . 1 . . . . . 106 PHE CA . 27542 1 428 . 1 1 106 106 PHE CB C 13 39.6463 0.1732 . 1 . . . . . 106 PHE CB . 27542 1 429 . 1 1 106 106 PHE N N 15 119.2209 0.0283 . 1 . . . . . 106 PHE N . 27542 1 430 . 1 1 107 107 TYR H H 1 8.5119 0.0059 . 1 . . . . . 107 TYR H . 27542 1 431 . 1 1 107 107 TYR CA C 13 55.4482 . . 1 . . . . . 107 TYR CA . 27542 1 432 . 1 1 107 107 TYR CB C 13 42.3029 0.0394 . 1 . . . . . 107 TYR CB . 27542 1 433 . 1 1 107 107 TYR N N 15 114.9277 0.1508 . 1 . . . . . 107 TYR N . 27542 1 434 . 1 1 108 108 VAL H H 1 8.3604 0.0065 . 1 . . . . . 108 VAL H . 27542 1 435 . 1 1 108 108 VAL CA C 13 60.5154 0.0308 . 1 . . . . . 108 VAL CA . 27542 1 436 . 1 1 108 108 VAL CB C 13 33.9691 0.0037 . 1 . . . . . 108 VAL CB . 27542 1 437 . 1 1 108 108 VAL N N 15 118.9980 0.0479 . 1 . . . . . 108 VAL N . 27542 1 438 . 1 1 109 109 VAL H H 1 8.7958 0.0036 . 1 . . . . . 109 VAL H . 27542 1 439 . 1 1 109 109 VAL CA C 13 57.6333 0.0197 . 1 . . . . . 109 VAL CA . 27542 1 440 . 1 1 109 109 VAL CB C 13 34.4675 0.0796 . 1 . . . . . 109 VAL CB . 27542 1 441 . 1 1 109 109 VAL N N 15 118.0195 0.0486 . 1 . . . . . 109 VAL N . 27542 1 442 . 1 1 110 110 ALA H H 1 8.7285 0.0082 . 1 . . . . . 110 ALA H . 27542 1 443 . 1 1 110 110 ALA CA C 13 51.0371 0.0159 . 1 . . . . . 110 ALA CA . 27542 1 444 . 1 1 110 110 ALA CB C 13 20.4582 0.0259 . 1 . . . . . 110 ALA CB . 27542 1 445 . 1 1 110 110 ALA N N 15 125.1092 0.0587 . 1 . . . . . 110 ALA N . 27542 1 446 . 1 1 111 111 CYS H H 1 8.3968 0.0041 . 1 . . . . . 111 CYS H . 27542 1 447 . 1 1 111 111 CYS CA C 13 55.2209 0.0185 . 1 . . . . . 111 CYS CA . 27542 1 448 . 1 1 111 111 CYS CB C 13 48.9600 0.0748 . 1 . . . . . 111 CYS CB . 27542 1 449 . 1 1 111 111 CYS N N 15 117.6933 0.0324 . 1 . . . . . 111 CYS N . 27542 1 450 . 1 1 112 112 GLU H H 1 9.0238 0.0017 . 1 . . . . . 112 GLU H . 27542 1 451 . 1 1 112 112 GLU CA C 13 54.6342 0.0126 . 1 . . . . . 112 GLU CA . 27542 1 452 . 1 1 112 112 GLU CB C 13 35.0488 0.0252 . 1 . . . . . 112 GLU CB . 27542 1 453 . 1 1 112 112 GLU N N 15 120.6868 0.0383 . 1 . . . . . 112 GLU N . 27542 1 454 . 1 1 113 113 SER H H 1 8.6799 0.0017 . 1 . . . . . 113 SER H . 27542 1 455 . 1 1 113 113 SER CA C 13 60.1283 0.0452 . 1 . . . . . 113 SER CA . 27542 1 456 . 1 1 113 113 SER CB C 13 63.4817 0.0408 . 1 . . . . . 113 SER CB . 27542 1 457 . 1 1 113 113 SER N N 15 115.7921 0.0167 . 1 . . . . . 113 SER N . 27542 1 458 . 1 1 114 114 ARG H H 1 7.9915 0.0020 . 1 . . . . . 114 ARG H . 27542 1 459 . 1 1 114 114 ARG CA C 13 56.3241 0.0570 . 1 . . . . . 114 ARG CA . 27542 1 460 . 1 1 114 114 ARG CB C 13 29.3724 0.0438 . 1 . . . . . 114 ARG CB . 27542 1 461 . 1 1 114 114 ARG N N 15 120.4918 0.0243 . 1 . . . . . 114 ARG N . 27542 1 462 . 1 1 115 115 ASP H H 1 9.4924 0.0041 . 1 . . . . . 115 ASP H . 27542 1 463 . 1 1 115 115 ASP CA C 13 52.2602 . . 1 . . . . . 115 ASP CA . 27542 1 464 . 1 1 115 115 ASP CB C 13 44.5038 . . 1 . . . . . 115 ASP CB . 27542 1 465 . 1 1 115 115 ASP N N 15 126.0228 0.0295 . 1 . . . . . 115 ASP N . 27542 1 466 . 1 1 116 116 PRO CA C 13 65.5139 0.0062 . 1 . . . . . 116 PRO CA . 27542 1 467 . 1 1 116 116 PRO CB C 13 32.1602 0.0020 . 1 . . . . . 116 PRO CB . 27542 1 468 . 1 1 117 117 ARG H H 1 9.6310 0.0028 . 1 . . . . . 117 ARG H . 27542 1 469 . 1 1 117 117 ARG CA C 13 56.7464 0.1408 . 1 . . . . . 117 ARG CA . 27542 1 470 . 1 1 117 117 ARG CB C 13 30.6659 0.0337 . 1 . . . . . 117 ARG CB . 27542 1 471 . 1 1 117 117 ARG N N 15 114.7886 0.0173 . 1 . . . . . 117 ARG N . 27542 1 472 . 1 1 118 118 ASP H H 1 8.2476 0.0022 . 1 . . . . . 118 ASP H . 27542 1 473 . 1 1 118 118 ASP CA C 13 55.2264 0.0550 . 1 . . . . . 118 ASP CA . 27542 1 474 . 1 1 118 118 ASP CB C 13 43.0004 0.0187 . 1 . . . . . 118 ASP CB . 27542 1 475 . 1 1 118 118 ASP N N 15 119.8235 0.1039 . 1 . . . . . 118 ASP N . 27542 1 476 . 1 1 119 119 SER H H 1 8.3820 0.0023 . 1 . . . . . 119 SER H . 27542 1 477 . 1 1 119 119 SER CA C 13 56.2962 . . 1 . . . . . 119 SER CA . 27542 1 478 . 1 1 119 119 SER CB C 13 64.0200 . . 1 . . . . . 119 SER CB . 27542 1 479 . 1 1 119 119 SER N N 15 114.1225 0.0349 . 1 . . . . . 119 SER N . 27542 1 480 . 1 1 120 120 PRO CA C 13 63.5747 0.0266 . 1 . . . . . 120 PRO CA . 27542 1 481 . 1 1 120 120 PRO CB C 13 31.8987 0.0093 . 1 . . . . . 120 PRO CB . 27542 1 482 . 1 1 121 121 ARG H H 1 7.7440 0.0029 . 1 . . . . . 121 ARG H . 27542 1 483 . 1 1 121 121 ARG CA C 13 58.1444 0.0211 . 1 . . . . . 121 ARG CA . 27542 1 484 . 1 1 121 121 ARG CB C 13 30.3978 0.0347 . 1 . . . . . 121 ARG CB . 27542 1 485 . 1 1 121 121 ARG N N 15 116.6240 0.0112 . 1 . . . . . 121 ARG N . 27542 1 486 . 1 1 122 122 TYR H H 1 6.6858 0.0043 . 1 . . . . . 122 TYR H . 27542 1 487 . 1 1 122 122 TYR CA C 13 53.3023 . . 1 . . . . . 122 TYR CA . 27542 1 488 . 1 1 122 122 TYR CB C 13 38.5429 . . 1 . . . . . 122 TYR CB . 27542 1 489 . 1 1 122 122 TYR N N 15 113.5740 0.0131 . 1 . . . . . 122 TYR N . 27542 1 490 . 1 1 123 123 PRO CA C 13 64.9319 0.0010 . 1 . . . . . 123 PRO CA . 27542 1 491 . 1 1 123 123 PRO CB C 13 32.5819 0.0466 . 1 . . . . . 123 PRO CB . 27542 1 492 . 1 1 124 124 VAL H H 1 7.4045 0.0077 . 1 . . . . . 124 VAL H . 27542 1 493 . 1 1 124 124 VAL CA C 13 60.7614 0.0160 . 1 . . . . . 124 VAL CA . 27542 1 494 . 1 1 124 124 VAL CB C 13 34.3368 0.0155 . 1 . . . . . 124 VAL CB . 27542 1 495 . 1 1 124 124 VAL N N 15 116.0707 0.0531 . 1 . . . . . 124 VAL N . 27542 1 496 . 1 1 125 125 VAL H H 1 9.0831 0.0030 . 1 . . . . . 125 VAL H . 27542 1 497 . 1 1 125 125 VAL CA C 13 56.5541 . . 1 . . . . . 125 VAL CA . 27542 1 498 . 1 1 125 125 VAL CB C 13 34.1954 . . 1 . . . . . 125 VAL CB . 27542 1 499 . 1 1 125 125 VAL N N 15 115.2868 0.0135 . 1 . . . . . 125 VAL N . 27542 1 500 . 1 1 126 126 PRO CA C 13 61.3737 0.0374 . 1 . . . . . 126 PRO CA . 27542 1 501 . 1 1 126 126 PRO CB C 13 30.8945 0.0027 . 1 . . . . . 126 PRO CB . 27542 1 502 . 1 1 127 127 VAL H H 1 8.4145 0.0066 . 1 . . . . . 127 VAL H . 27542 1 503 . 1 1 127 127 VAL CA C 13 60.1684 0.0565 . 1 . . . . . 127 VAL CA . 27542 1 504 . 1 1 127 127 VAL CB C 13 34.6264 0.0842 . 1 . . . . . 127 VAL CB . 27542 1 505 . 1 1 127 127 VAL N N 15 105.3713 0.0249 . 1 . . . . . 127 VAL N . 27542 1 506 . 1 1 128 128 HIS H H 1 7.3989 0.0070 . 1 . . . . . 128 HIS H . 27542 1 507 . 1 1 128 128 HIS CA C 13 55.9485 0.0207 . 1 . . . . . 128 HIS CA . 27542 1 508 . 1 1 128 128 HIS CB C 13 33.7338 0.0250 . 1 . . . . . 128 HIS CB . 27542 1 509 . 1 1 128 128 HIS N N 15 118.6065 0.0948 . 1 . . . . . 128 HIS N . 27542 1 510 . 1 1 129 129 LEU H H 1 8.9639 0.0137 . 1 . . . . . 129 LEU H . 27542 1 511 . 1 1 129 129 LEU CA C 13 53.7291 0.0522 . 1 . . . . . 129 LEU CA . 27542 1 512 . 1 1 129 129 LEU CB C 13 40.6833 0.0724 . 1 . . . . . 129 LEU CB . 27542 1 513 . 1 1 129 129 LEU N N 15 129.5390 0.1057 . 1 . . . . . 129 LEU N . 27542 1 514 . 1 1 130 130 ASP H H 1 8.8009 0.0045 . 1 . . . . . 130 ASP H . 27542 1 515 . 1 1 130 130 ASP CA C 13 58.0165 0.0947 . 1 . . . . . 130 ASP CA . 27542 1 516 . 1 1 130 130 ASP CB C 13 45.9800 0.0723 . 1 . . . . . 130 ASP CB . 27542 1 517 . 1 1 130 130 ASP N N 15 129.4579 0.0309 . 1 . . . . . 130 ASP N . 27542 1 518 . 1 1 131 131 THR H H 1 7.4400 0.0060 . 1 . . . . . 131 THR H . 27542 1 519 . 1 1 131 131 THR CA C 13 60.6345 0.0031 . 1 . . . . . 131 THR CA . 27542 1 520 . 1 1 131 131 THR CB C 13 68.6962 0.0544 . 1 . . . . . 131 THR CB . 27542 1 521 . 1 1 131 131 THR N N 15 105.2137 0.0758 . 1 . . . . . 131 THR N . 27542 1 522 . 1 1 132 132 THR H H 1 8.1045 0.0043 . 1 . . . . . 132 THR H . 27542 1 523 . 1 1 132 132 THR CA C 13 60.1132 0.0531 . 1 . . . . . 132 THR CA . 27542 1 524 . 1 1 132 132 THR CB C 13 71.4347 0.0807 . 1 . . . . . 132 THR CB . 27542 1 525 . 1 1 132 132 THR N N 15 112.2634 0.0497 . 1 . . . . . 132 THR N . 27542 1 526 . 1 1 133 133 ILE H H 1 8.4987 0.0017 . 1 . . . . . 133 ILE H . 27542 1 527 . 1 1 133 133 ILE CA C 13 64.0079 . . 1 . . . . . 133 ILE CA . 27542 1 528 . 1 1 133 133 ILE CB C 13 42.5306 . . 1 . . . . . 133 ILE CB . 27542 1 529 . 1 1 133 133 ILE N N 15 125.6248 0.0263 . 1 . . . . . 133 ILE N . 27542 1 stop_ save_