data_27544 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27544 _Entry.Title ; Pongo pygmaeus Eosinophil Cationic Protein backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-13 _Entry.Accession_date 2018-07-13 _Entry.Last_release_date 2018-07-13 _Entry.Original_release_date 2018-07-13 _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 Pongo pygmaeus' _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. . . 27544 2 Nicolas Doucet . . . . 27544 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' . 27544 2 . PROTEO . 27544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 27544 '15N chemical shifts' 122 27544 '1H chemical shifts' 122 27544 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 . 27544 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27542 'Macaca fascicularis ECP' 27544 BMRB 27545 'Pongo abelii RNase 3' 27544 BMRB 27546 'Aotus trivirgatus EDN' 27544 EMBL AAC50147.1 . 27544 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27544 _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 ; Pongo pygmaeus 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. . . 27544 1 2 Chitra Narayanan . . . . 27544 1 3 Khushboo Bafna . . . . 27544 1 4 Purva Bhojane . P. . . 27544 1 5 Myriam Letourneau . . . . 27544 1 6 Elizabeth Howell . E. . . 27544 1 7 Pratul Agarwal . K. . . 27544 1 8 Nicolas Doucet . . . . 27544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27544 _Assembly.ID 1 _Assembly.Name 'Pongo pygmaeus 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 15503 _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 'Pongo pygmaeus ECP' 1 $PpECP A . yes native no no . . . 27544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PpECP _Entity.Sf_category entity _Entity.Sf_framecode PpECP _Entity.Entry_ID 27544 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PpECP _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 ; KPRQFTRAQWFAIQHVSLNP PQCTTAMRVINNYQRRCKDQ NTFLRTTFANVVNVCGNPNI TCPRNRTLHNCHRSRFQVPL LHCNLTNPGAQNISNCKYAD RTERRFYVVACDNRDPRDSP 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 15503 _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 P47781 . ECP_PONPY . . . . . . . . . . . . . . 27544 1 . yes EMBL AAC50147.1 . . . . . . . . . . . . . . . . 27544 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ribonuclease 27544 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 . LYS . 27544 1 2 . PRO . 27544 1 3 . ARG . 27544 1 4 . GLN . 27544 1 5 . PHE . 27544 1 6 . THR . 27544 1 7 . ARG . 27544 1 8 . ALA . 27544 1 9 . GLN . 27544 1 10 . TRP . 27544 1 11 . PHE . 27544 1 12 . ALA . 27544 1 13 . ILE . 27544 1 14 . GLN . 27544 1 15 . HIS . 27544 1 16 . VAL . 27544 1 17 . SER . 27544 1 18 . LEU . 27544 1 19 . ASN . 27544 1 20 . PRO . 27544 1 21 . PRO . 27544 1 22 . GLN . 27544 1 23 . CYS . 27544 1 24 . THR . 27544 1 25 . THR . 27544 1 26 . ALA . 27544 1 27 . MET . 27544 1 28 . ARG . 27544 1 29 . VAL . 27544 1 30 . ILE . 27544 1 31 . ASN . 27544 1 32 . ASN . 27544 1 33 . TYR . 27544 1 34 . GLN . 27544 1 35 . ARG . 27544 1 36 . ARG . 27544 1 37 . CYS . 27544 1 38 . LYS . 27544 1 39 . ASP . 27544 1 40 . GLN . 27544 1 41 . ASN . 27544 1 42 . THR . 27544 1 43 . PHE . 27544 1 44 . LEU . 27544 1 45 . ARG . 27544 1 46 . THR . 27544 1 47 . THR . 27544 1 48 . PHE . 27544 1 49 . ALA . 27544 1 50 . ASN . 27544 1 51 . VAL . 27544 1 52 . VAL . 27544 1 53 . ASN . 27544 1 54 . VAL . 27544 1 55 . CYS . 27544 1 56 . GLY . 27544 1 57 . ASN . 27544 1 58 . PRO . 27544 1 59 . ASN . 27544 1 60 . ILE . 27544 1 61 . THR . 27544 1 62 . CYS . 27544 1 63 . PRO . 27544 1 64 . ARG . 27544 1 65 . ASN . 27544 1 66 . ARG . 27544 1 67 . THR . 27544 1 68 . LEU . 27544 1 69 . HIS . 27544 1 70 . ASN . 27544 1 71 . CYS . 27544 1 72 . HIS . 27544 1 73 . ARG . 27544 1 74 . SER . 27544 1 75 . ARG . 27544 1 76 . PHE . 27544 1 77 . GLN . 27544 1 78 . VAL . 27544 1 79 . PRO . 27544 1 80 . LEU . 27544 1 81 . LEU . 27544 1 82 . HIS . 27544 1 83 . CYS . 27544 1 84 . ASN . 27544 1 85 . LEU . 27544 1 86 . THR . 27544 1 87 . ASN . 27544 1 88 . PRO . 27544 1 89 . GLY . 27544 1 90 . ALA . 27544 1 91 . GLN . 27544 1 92 . ASN . 27544 1 93 . ILE . 27544 1 94 . SER . 27544 1 95 . ASN . 27544 1 96 . CYS . 27544 1 97 . LYS . 27544 1 98 . TYR . 27544 1 99 . ALA . 27544 1 100 . ASP . 27544 1 101 . ARG . 27544 1 102 . THR . 27544 1 103 . GLU . 27544 1 104 . ARG . 27544 1 105 . ARG . 27544 1 106 . PHE . 27544 1 107 . TYR . 27544 1 108 . VAL . 27544 1 109 . VAL . 27544 1 110 . ALA . 27544 1 111 . CYS . 27544 1 112 . ASP . 27544 1 113 . ASN . 27544 1 114 . ARG . 27544 1 115 . ASP . 27544 1 116 . PRO . 27544 1 117 . ARG . 27544 1 118 . ASP . 27544 1 119 . SER . 27544 1 120 . PRO . 27544 1 121 . ARG . 27544 1 122 . TYR . 27544 1 123 . PRO . 27544 1 124 . VAL . 27544 1 125 . VAL . 27544 1 126 . PRO . 27544 1 127 . VAL . 27544 1 128 . HIS . 27544 1 129 . LEU . 27544 1 130 . ASP . 27544 1 131 . THR . 27544 1 132 . THR . 27544 1 133 . ILE . 27544 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 . LYS 1 1 27544 1 . PRO 2 2 27544 1 . ARG 3 3 27544 1 . GLN 4 4 27544 1 . PHE 5 5 27544 1 . THR 6 6 27544 1 . ARG 7 7 27544 1 . ALA 8 8 27544 1 . GLN 9 9 27544 1 . TRP 10 10 27544 1 . PHE 11 11 27544 1 . ALA 12 12 27544 1 . ILE 13 13 27544 1 . GLN 14 14 27544 1 . HIS 15 15 27544 1 . VAL 16 16 27544 1 . SER 17 17 27544 1 . LEU 18 18 27544 1 . ASN 19 19 27544 1 . PRO 20 20 27544 1 . PRO 21 21 27544 1 . GLN 22 22 27544 1 . CYS 23 23 27544 1 . THR 24 24 27544 1 . THR 25 25 27544 1 . ALA 26 26 27544 1 . MET 27 27 27544 1 . ARG 28 28 27544 1 . VAL 29 29 27544 1 . ILE 30 30 27544 1 . ASN 31 31 27544 1 . ASN 32 32 27544 1 . TYR 33 33 27544 1 . GLN 34 34 27544 1 . ARG 35 35 27544 1 . ARG 36 36 27544 1 . CYS 37 37 27544 1 . LYS 38 38 27544 1 . ASP 39 39 27544 1 . GLN 40 40 27544 1 . ASN 41 41 27544 1 . THR 42 42 27544 1 . PHE 43 43 27544 1 . LEU 44 44 27544 1 . ARG 45 45 27544 1 . THR 46 46 27544 1 . THR 47 47 27544 1 . PHE 48 48 27544 1 . ALA 49 49 27544 1 . ASN 50 50 27544 1 . VAL 51 51 27544 1 . VAL 52 52 27544 1 . ASN 53 53 27544 1 . VAL 54 54 27544 1 . CYS 55 55 27544 1 . GLY 56 56 27544 1 . ASN 57 57 27544 1 . PRO 58 58 27544 1 . ASN 59 59 27544 1 . ILE 60 60 27544 1 . THR 61 61 27544 1 . CYS 62 62 27544 1 . PRO 63 63 27544 1 . ARG 64 64 27544 1 . ASN 65 65 27544 1 . ARG 66 66 27544 1 . THR 67 67 27544 1 . LEU 68 68 27544 1 . HIS 69 69 27544 1 . ASN 70 70 27544 1 . CYS 71 71 27544 1 . HIS 72 72 27544 1 . ARG 73 73 27544 1 . SER 74 74 27544 1 . ARG 75 75 27544 1 . PHE 76 76 27544 1 . GLN 77 77 27544 1 . VAL 78 78 27544 1 . PRO 79 79 27544 1 . LEU 80 80 27544 1 . LEU 81 81 27544 1 . HIS 82 82 27544 1 . CYS 83 83 27544 1 . ASN 84 84 27544 1 . LEU 85 85 27544 1 . THR 86 86 27544 1 . ASN 87 87 27544 1 . PRO 88 88 27544 1 . GLY 89 89 27544 1 . ALA 90 90 27544 1 . GLN 91 91 27544 1 . ASN 92 92 27544 1 . ILE 93 93 27544 1 . SER 94 94 27544 1 . ASN 95 95 27544 1 . CYS 96 96 27544 1 . LYS 97 97 27544 1 . TYR 98 98 27544 1 . ALA 99 99 27544 1 . ASP 100 100 27544 1 . ARG 101 101 27544 1 . THR 102 102 27544 1 . GLU 103 103 27544 1 . ARG 104 104 27544 1 . ARG 105 105 27544 1 . PHE 106 106 27544 1 . TYR 107 107 27544 1 . VAL 108 108 27544 1 . VAL 109 109 27544 1 . ALA 110 110 27544 1 . CYS 111 111 27544 1 . ASP 112 112 27544 1 . ASN 113 113 27544 1 . ARG 114 114 27544 1 . ASP 115 115 27544 1 . PRO 116 116 27544 1 . ARG 117 117 27544 1 . ASP 118 118 27544 1 . SER 119 119 27544 1 . PRO 120 120 27544 1 . ARG 121 121 27544 1 . TYR 122 122 27544 1 . PRO 123 123 27544 1 . VAL 124 124 27544 1 . VAL 125 125 27544 1 . PRO 126 126 27544 1 . VAL 127 127 27544 1 . HIS 128 128 27544 1 . LEU 129 129 27544 1 . ASP 130 130 27544 1 . THR 131 131 27544 1 . THR 132 132 27544 1 . ILE 133 133 27544 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 27544 _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 $PpECP . 9600 organism . 'Pongo pygmaeus' 'Bornean orangutan' . . Eukaryota Metazoa Pongo pygmaeus . . . . . . . . . . . RNASE3 . 27544 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 27544 _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 $PpECP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pJexpress 414' . . . 27544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27544 _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 PpECP '[U-99% 13C; U-99% 15N]' . . 1 $PpECP . . 300 100 500 uM . . . . 27544 1 2 'sodium acetate' 'natural abundance' . . . . . . 15 . . mM . . . . 27544 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 27544 _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 27544 1 pH 5.0 . pH 27544 1 pressure 1 . atm 27544 1 temperature 298 . K 27544 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 27544 _Software.ID 1 _Software.Type . _Software.Name CcpNmr _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27544 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 27544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Magnet belongs to QANUC NMR facility' _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 27544 _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 'Magnet belongs to QANUC NMR facility' . . 27544 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 27544 _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 . . . . . . . . . . . . . . . . 27544 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27544 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27544 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 27544 _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 . . . . . 27544 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27544 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27544 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 27544 _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' . . . 27544 1 2 '3D HNCACB' . . . 27544 1 3 '3D CBCA(CO)NH' . . . 27544 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 . . 27544 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 2 2 PRO CA C 13 62.9214 0.0234 . 1 . . . . . 2 PRO CA . 27544 1 2 . 1 1 2 2 PRO CB C 13 31.9313 0.0067 . 1 . . . . . 2 PRO CB . 27544 1 3 . 1 1 3 3 ARG H H 1 8.5660 0.0035 . 1 . . . . . 3 ARG H . 27544 1 4 . 1 1 3 3 ARG CA C 13 58.1422 0.0229 . 1 . . . . . 3 ARG CA . 27544 1 5 . 1 1 3 3 ARG CB C 13 30.1914 0.0146 . 1 . . . . . 3 ARG CB . 27544 1 6 . 1 1 3 3 ARG N N 15 123.4924 0.0179 . 1 . . . . . 3 ARG N . 27544 1 7 . 1 1 4 4 GLN H H 1 8.9680 0.0033 . 1 . . . . . 4 GLN H . 27544 1 8 . 1 1 4 4 GLN CA C 13 56.5503 0.0501 . 1 . . . . . 4 GLN CA . 27544 1 9 . 1 1 4 4 GLN CB C 13 27.9085 0.0372 . 1 . . . . . 4 GLN CB . 27544 1 10 . 1 1 4 4 GLN N N 15 117.4123 0.0371 . 1 . . . . . 4 GLN N . 27544 1 11 . 1 1 5 5 PHE H H 1 7.3250 0.0035 . 1 . . . . . 5 PHE H . 27544 1 12 . 1 1 5 5 PHE CA C 13 55.4657 0.0386 . 1 . . . . . 5 PHE CA . 27544 1 13 . 1 1 5 5 PHE CB C 13 42.3272 0.0330 . 1 . . . . . 5 PHE CB . 27544 1 14 . 1 1 5 5 PHE N N 15 119.3454 0.0285 . 1 . . . . . 5 PHE N . 27544 1 15 . 1 1 6 6 THR H H 1 8.8536 0.0044 . 1 . . . . . 6 THR H . 27544 1 16 . 1 1 6 6 THR CA C 13 60.8326 0.0016 . 1 . . . . . 6 THR CA . 27544 1 17 . 1 1 6 6 THR CB C 13 69.2252 0.0648 . 1 . . . . . 6 THR CB . 27544 1 18 . 1 1 6 6 THR N N 15 112.9937 0.0280 . 1 . . . . . 6 THR N . 27544 1 19 . 1 1 7 7 ARG H H 1 8.9711 0.0037 . 1 . . . . . 7 ARG H . 27544 1 20 . 1 1 7 7 ARG CA C 13 61.4276 0.0872 . 1 . . . . . 7 ARG CA . 27544 1 21 . 1 1 7 7 ARG CB C 13 30.7641 0.0190 . 1 . . . . . 7 ARG CB . 27544 1 22 . 1 1 7 7 ARG N N 15 120.6505 0.0265 . 1 . . . . . 7 ARG N . 27544 1 23 . 1 1 8 8 ALA H H 1 10.3619 0.0037 . 1 . . . . . 8 ALA H . 27544 1 24 . 1 1 8 8 ALA CA C 13 55.3040 0.0105 . 1 . . . . . 8 ALA CA . 27544 1 25 . 1 1 8 8 ALA CB C 13 18.9114 0.0905 . 1 . . . . . 8 ALA CB . 27544 1 26 . 1 1 8 8 ALA N N 15 126.0546 0.0367 . 1 . . . . . 8 ALA N . 27544 1 27 . 1 1 9 9 GLN H H 1 8.3630 0.0049 . 1 . . . . . 9 GLN H . 27544 1 28 . 1 1 9 9 GLN CA C 13 58.4665 0.0190 . 1 . . . . . 9 GLN CA . 27544 1 29 . 1 1 9 9 GLN CB C 13 28.5720 0.0319 . 1 . . . . . 9 GLN CB . 27544 1 30 . 1 1 9 9 GLN N N 15 118.7551 0.0301 . 1 . . . . . 9 GLN N . 27544 1 31 . 1 1 10 10 TRP H H 1 8.7685 0.0038 . 1 . . . . . 10 TRP H . 27544 1 32 . 1 1 10 10 TRP HE1 H 1 10.1288 . . 1 . . . . . 10 TRP HE1 . 27544 1 33 . 1 1 10 10 TRP CA C 13 57.8562 0.1177 . 1 . . . . . 10 TRP CA . 27544 1 34 . 1 1 10 10 TRP CB C 13 31.4069 0.0783 . 1 . . . . . 10 TRP CB . 27544 1 35 . 1 1 10 10 TRP N N 15 120.5435 0.0372 . 1 . . . . . 10 TRP N . 27544 1 36 . 1 1 10 10 TRP NE1 N 15 130.1350 . . 1 . . . . . 10 TRP NE1 . 27544 1 37 . 1 1 11 11 PHE H H 1 8.7612 0.0033 . 1 . . . . . 11 PHE H . 27544 1 38 . 1 1 11 11 PHE CA C 13 61.8900 0.0183 . 1 . . . . . 11 PHE CA . 27544 1 39 . 1 1 11 11 PHE CB C 13 38.9047 0.0279 . 1 . . . . . 11 PHE CB . 27544 1 40 . 1 1 11 11 PHE N N 15 121.8096 0.0819 . 1 . . . . . 11 PHE N . 27544 1 41 . 1 1 12 12 ALA H H 1 8.3149 0.0039 . 1 . . . . . 12 ALA H . 27544 1 42 . 1 1 12 12 ALA CA C 13 55.4473 0.0025 . 1 . . . . . 12 ALA CA . 27544 1 43 . 1 1 12 12 ALA CB C 13 17.8188 0.0537 . 1 . . . . . 12 ALA CB . 27544 1 44 . 1 1 12 12 ALA N N 15 122.2731 0.0804 . 1 . . . . . 12 ALA N . 27544 1 45 . 1 1 13 13 ILE H H 1 7.6987 0.0039 . 1 . . . . . 13 ILE H . 27544 1 46 . 1 1 13 13 ILE CA C 13 64.6081 0.0249 . 1 . . . . . 13 ILE CA . 27544 1 47 . 1 1 13 13 ILE CB C 13 38.4768 0.0535 . 1 . . . . . 13 ILE CB . 27544 1 48 . 1 1 13 13 ILE N N 15 117.7284 0.0353 . 1 . . . . . 13 ILE N . 27544 1 49 . 1 1 14 14 GLN H H 1 7.2115 0.0046 . 1 . . . . . 14 GLN H . 27544 1 50 . 1 1 14 14 GLN CA C 13 58.0446 0.0204 . 1 . . . . . 14 GLN CA . 27544 1 51 . 1 1 14 14 GLN CB C 13 30.9454 0.0575 . 1 . . . . . 14 GLN CB . 27544 1 52 . 1 1 14 14 GLN N N 15 112.5633 0.0497 . 1 . . . . . 14 GLN N . 27544 1 53 . 1 1 15 15 HIS H H 1 7.7258 0.0046 . 1 . . . . . 15 HIS H . 27544 1 54 . 1 1 15 15 HIS CA C 13 54.7937 0.0789 . 1 . . . . . 15 HIS CA . 27544 1 55 . 1 1 15 15 HIS CB C 13 30.7452 0.0198 . 1 . . . . . 15 HIS CB . 27544 1 56 . 1 1 15 15 HIS N N 15 105.7482 0.0313 . 1 . . . . . 15 HIS N . 27544 1 57 . 1 1 16 16 VAL H H 1 8.2756 0.0047 . 1 . . . . . 16 VAL H . 27544 1 58 . 1 1 16 16 VAL CA C 13 62.2275 0.1091 . 1 . . . . . 16 VAL CA . 27544 1 59 . 1 1 16 16 VAL CB C 13 32.4969 0.0210 . 1 . . . . . 16 VAL CB . 27544 1 60 . 1 1 16 16 VAL N N 15 121.4905 0.1033 . 1 . . . . . 16 VAL N . 27544 1 61 . 1 1 17 17 SER H H 1 8.0304 0.0062 . 1 . . . . . 17 SER H . 27544 1 62 . 1 1 17 17 SER CA C 13 57.5946 0.0561 . 1 . . . . . 17 SER CA . 27544 1 63 . 1 1 17 17 SER CB C 13 64.2092 0.0559 . 1 . . . . . 17 SER CB . 27544 1 64 . 1 1 17 17 SER N N 15 120.9068 0.0906 . 1 . . . . . 17 SER N . 27544 1 65 . 1 1 18 18 LEU H H 1 8.4517 0.0033 . 1 . . . . . 18 LEU H . 27544 1 66 . 1 1 18 18 LEU CA C 13 58.3781 0.0964 . 1 . . . . . 18 LEU CA . 27544 1 67 . 1 1 18 18 LEU CB C 13 43.1525 0.0188 . 1 . . . . . 18 LEU CB . 27544 1 68 . 1 1 18 18 LEU N N 15 128.2079 0.0229 . 1 . . . . . 18 LEU N . 27544 1 69 . 1 1 19 19 ASN H H 1 8.3503 0.0025 . 1 . . . . . 19 ASN H . 27544 1 70 . 1 1 19 19 ASN CA C 13 51.0028 . . 1 . . . . . 19 ASN CA . 27544 1 71 . 1 1 19 19 ASN CB C 13 39.7482 . . 1 . . . . . 19 ASN CB . 27544 1 72 . 1 1 19 19 ASN N N 15 114.9797 0.0518 . 1 . . . . . 19 ASN N . 27544 1 73 . 1 1 21 21 PRO CA C 13 61.6331 0.0540 . 1 . . . . . 21 PRO CA . 27544 1 74 . 1 1 21 21 PRO CB C 13 31.8980 0.0042 . 1 . . . . . 21 PRO CB . 27544 1 75 . 1 1 22 22 GLN H H 1 7.8025 0.0012 . 1 . . . . . 22 GLN H . 27544 1 76 . 1 1 22 22 GLN CA C 13 56.5011 0.0198 . 1 . . . . . 22 GLN CA . 27544 1 77 . 1 1 22 22 GLN CB C 13 29.0232 0.0360 . 1 . . . . . 22 GLN CB . 27544 1 78 . 1 1 22 22 GLN N N 15 112.6825 0.0624 . 1 . . . . . 22 GLN N . 27544 1 79 . 1 1 23 23 CYS H H 1 10.9125 0.0035 . 1 . . . . . 23 CYS H . 27544 1 80 . 1 1 23 23 CYS CA C 13 62.6209 0.0579 . 1 . . . . . 23 CYS CA . 27544 1 81 . 1 1 23 23 CYS CB C 13 42.0871 0.0700 . 1 . . . . . 23 CYS CB . 27544 1 82 . 1 1 23 23 CYS N N 15 123.8317 0.0264 . 1 . . . . . 23 CYS N . 27544 1 83 . 1 1 24 24 THR H H 1 9.9064 0.0049 . 1 . . . . . 24 THR H . 27544 1 84 . 1 1 24 24 THR CA C 13 68.1082 0.1839 . 1 . . . . . 24 THR CA . 27544 1 85 . 1 1 24 24 THR CB C 13 69.0054 0.0389 . 1 . . . . . 24 THR CB . 27544 1 86 . 1 1 24 24 THR N N 15 117.5447 0.0484 . 1 . . . . . 24 THR N . 27544 1 87 . 1 1 25 25 THR H H 1 7.3174 0.0041 . 1 . . . . . 25 THR H . 27544 1 88 . 1 1 25 25 THR CA C 13 65.8169 0.0507 . 1 . . . . . 25 THR CA . 27544 1 89 . 1 1 25 25 THR CB C 13 68.8928 0.0306 . 1 . . . . . 25 THR CB . 27544 1 90 . 1 1 25 25 THR N N 15 115.9096 0.0374 . 1 . . . . . 25 THR N . 27544 1 91 . 1 1 26 26 ALA H H 1 8.8566 0.0042 . 1 . . . . . 26 ALA H . 27544 1 92 . 1 1 26 26 ALA CA C 13 54.8448 0.0511 . 1 . . . . . 26 ALA CA . 27544 1 93 . 1 1 26 26 ALA CB C 13 18.8958 0.0505 . 1 . . . . . 26 ALA CB . 27544 1 94 . 1 1 26 26 ALA N N 15 125.9238 0.0511 . 1 . . . . . 26 ALA N . 27544 1 95 . 1 1 27 27 MET H H 1 8.3992 0.0034 . 1 . . . . . 27 MET H . 27544 1 96 . 1 1 27 27 MET CA C 13 53.7788 0.0222 . 1 . . . . . 27 MET CA . 27544 1 97 . 1 1 27 27 MET CB C 13 30.0033 0.0891 . 1 . . . . . 27 MET CB . 27544 1 98 . 1 1 27 27 MET N N 15 110.1415 0.0269 . 1 . . . . . 27 MET N . 27544 1 99 . 1 1 28 28 ARG H H 1 7.3095 0.0037 . 1 . . . . . 28 ARG H . 27544 1 100 . 1 1 28 28 ARG CA C 13 59.8569 0.0578 . 1 . . . . . 28 ARG CA . 27544 1 101 . 1 1 28 28 ARG CB C 13 29.7864 0.0262 . 1 . . . . . 28 ARG CB . 27544 1 102 . 1 1 28 28 ARG N N 15 118.9394 0.0309 . 1 . . . . . 28 ARG N . 27544 1 103 . 1 1 29 29 VAL H H 1 7.3804 0.0039 . 1 . . . . . 29 VAL H . 27544 1 104 . 1 1 29 29 VAL CA C 13 65.6224 0.0453 . 1 . . . . . 29 VAL CA . 27544 1 105 . 1 1 29 29 VAL CB C 13 32.0427 0.0534 . 1 . . . . . 29 VAL CB . 27544 1 106 . 1 1 29 29 VAL N N 15 115.8129 0.0275 . 1 . . . . . 29 VAL N . 27544 1 107 . 1 1 30 30 ILE H H 1 6.6952 0.0034 . 1 . . . . . 30 ILE H . 27544 1 108 . 1 1 30 30 ILE CA C 13 65.2366 0.0111 . 1 . . . . . 30 ILE CA . 27544 1 109 . 1 1 30 30 ILE CB C 13 40.1049 0.0118 . 1 . . . . . 30 ILE CB . 27544 1 110 . 1 1 30 30 ILE N N 15 119.1942 0.0339 . 1 . . . . . 30 ILE N . 27544 1 111 . 1 1 31 31 ASN H H 1 8.5206 0.0035 . 1 . . . . . 31 ASN H . 27544 1 112 . 1 1 31 31 ASN CA C 13 54.9006 0.0399 . 1 . . . . . 31 ASN CA . 27544 1 113 . 1 1 31 31 ASN CB C 13 37.8982 0.0070 . 1 . . . . . 31 ASN CB . 27544 1 114 . 1 1 31 31 ASN N N 15 118.5733 0.0399 . 1 . . . . . 31 ASN N . 27544 1 115 . 1 1 32 32 ASN H H 1 8.4266 0.0052 . 1 . . . . . 32 ASN H . 27544 1 116 . 1 1 32 32 ASN CA C 13 55.9016 0.0209 . 1 . . . . . 32 ASN CA . 27544 1 117 . 1 1 32 32 ASN CB C 13 38.3788 0.0173 . 1 . . . . . 32 ASN CB . 27544 1 118 . 1 1 32 32 ASN N N 15 118.2724 0.0322 . 1 . . . . . 32 ASN N . 27544 1 119 . 1 1 33 33 TYR H H 1 7.6998 0.0045 . 1 . . . . . 33 TYR H . 27544 1 120 . 1 1 33 33 TYR CA C 13 60.6534 0.0474 . 1 . . . . . 33 TYR CA . 27544 1 121 . 1 1 33 33 TYR CB C 13 39.1869 0.0587 . 1 . . . . . 33 TYR CB . 27544 1 122 . 1 1 33 33 TYR N N 15 116.9280 0.0477 . 1 . . . . . 33 TYR N . 27544 1 123 . 1 1 34 34 GLN H H 1 8.0534 0.0033 . 1 . . . . . 34 GLN H . 27544 1 124 . 1 1 34 34 GLN CA C 13 55.9001 0.0228 . 1 . . . . . 34 GLN CA . 27544 1 125 . 1 1 34 34 GLN CB C 13 30.1933 0.0066 . 1 . . . . . 34 GLN CB . 27544 1 126 . 1 1 34 34 GLN N N 15 114.5938 0.0306 . 1 . . . . . 34 GLN N . 27544 1 127 . 1 1 35 35 ARG H H 1 8.3291 0.0043 . 1 . . . . . 35 ARG H . 27544 1 128 . 1 1 35 35 ARG CA C 13 57.3032 0.0620 . 1 . . . . . 35 ARG CA . 27544 1 129 . 1 1 35 35 ARG CB C 13 27.4223 0.0326 . 1 . . . . . 35 ARG CB . 27544 1 130 . 1 1 35 35 ARG N N 15 115.9334 0.0395 . 1 . . . . . 35 ARG N . 27544 1 131 . 1 1 36 36 ARG H H 1 7.8343 0.0043 . 1 . . . . . 36 ARG H . 27544 1 132 . 1 1 36 36 ARG CA C 13 55.1409 0.0085 . 1 . . . . . 36 ARG CA . 27544 1 133 . 1 1 36 36 ARG CB C 13 32.6811 0.0647 . 1 . . . . . 36 ARG CB . 27544 1 134 . 1 1 36 36 ARG N N 15 115.7761 0.0498 . 1 . . . . . 36 ARG N . 27544 1 135 . 1 1 37 37 CYS H H 1 9.2025 0.0040 . 1 . . . . . 37 CYS H . 27544 1 136 . 1 1 37 37 CYS CA C 13 54.5344 0.0680 . 1 . . . . . 37 CYS CA . 27544 1 137 . 1 1 37 37 CYS CB C 13 40.7642 0.0660 . 1 . . . . . 37 CYS CB . 27544 1 138 . 1 1 37 37 CYS N N 15 119.7150 0.0315 . 1 . . . . . 37 CYS N . 27544 1 139 . 1 1 38 38 LYS H H 1 8.6778 0.0033 . 1 . . . . . 38 LYS H . 27544 1 140 . 1 1 38 38 LYS CA C 13 57.1631 0.0601 . 1 . . . . . 38 LYS CA . 27544 1 141 . 1 1 38 38 LYS CB C 13 33.1100 0.0565 . 1 . . . . . 38 LYS CB . 27544 1 142 . 1 1 38 38 LYS N N 15 126.0238 0.0379 . 1 . . . . . 38 LYS N . 27544 1 143 . 1 1 39 39 ASP H H 1 9.0959 0.0042 . 1 . . . . . 39 ASP H . 27544 1 144 . 1 1 39 39 ASP CA C 13 57.5846 0.0540 . 1 . . . . . 39 ASP CA . 27544 1 145 . 1 1 39 39 ASP CB C 13 40.6546 0.0183 . 1 . . . . . 39 ASP CB . 27544 1 146 . 1 1 39 39 ASP N N 15 127.4545 0.0467 . 1 . . . . . 39 ASP N . 27544 1 147 . 1 1 40 40 GLN H H 1 7.8852 0.0034 . 1 . . . . . 40 GLN H . 27544 1 148 . 1 1 40 40 GLN CA C 13 54.2895 0.0007 . 1 . . . . . 40 GLN CA . 27544 1 149 . 1 1 40 40 GLN CB C 13 31.9126 0.0235 . 1 . . . . . 40 GLN CB . 27544 1 150 . 1 1 40 40 GLN N N 15 115.6445 0.0245 . 1 . . . . . 40 GLN N . 27544 1 151 . 1 1 41 41 ASN H H 1 8.4937 0.0012 . 1 . . . . . 41 ASN H . 27544 1 152 . 1 1 41 41 ASN CA C 13 54.4196 0.0795 . 1 . . . . . 41 ASN CA . 27544 1 153 . 1 1 41 41 ASN CB C 13 44.5311 0.0638 . 1 . . . . . 41 ASN CB . 27544 1 154 . 1 1 41 41 ASN N N 15 116.6166 0.0203 . 1 . . . . . 41 ASN N . 27544 1 155 . 1 1 42 42 THR H H 1 7.6747 0.0039 . 1 . . . . . 42 THR H . 27544 1 156 . 1 1 42 42 THR CA C 13 62.1861 0.0391 . 1 . . . . . 42 THR CA . 27544 1 157 . 1 1 42 42 THR CB C 13 71.1358 0.0127 . 1 . . . . . 42 THR CB . 27544 1 158 . 1 1 42 42 THR N N 15 121.9925 0.0367 . 1 . . . . . 42 THR N . 27544 1 159 . 1 1 43 43 PHE H H 1 9.7970 0.0035 . 1 . . . . . 43 PHE H . 27544 1 160 . 1 1 43 43 PHE CA C 13 57.2159 0.0464 . 1 . . . . . 43 PHE CA . 27544 1 161 . 1 1 43 43 PHE CB C 13 40.7560 0.0465 . 1 . . . . . 43 PHE CB . 27544 1 162 . 1 1 43 43 PHE N N 15 125.2697 0.0309 . 1 . . . . . 43 PHE N . 27544 1 163 . 1 1 44 44 LEU H H 1 9.3158 0.0048 . 1 . . . . . 44 LEU H . 27544 1 164 . 1 1 44 44 LEU CA C 13 54.1326 0.0157 . 1 . . . . . 44 LEU CA . 27544 1 165 . 1 1 44 44 LEU CB C 13 42.7989 0.0170 . 1 . . . . . 44 LEU CB . 27544 1 166 . 1 1 44 44 LEU N N 15 123.2755 0.0432 . 1 . . . . . 44 LEU N . 27544 1 167 . 1 1 45 45 ARG H H 1 8.4648 0.0038 . 1 . . . . . 45 ARG H . 27544 1 168 . 1 1 45 45 ARG CA C 13 54.3225 0.0552 . 1 . . . . . 45 ARG CA . 27544 1 169 . 1 1 45 45 ARG CB C 13 26.8384 0.0540 . 1 . . . . . 45 ARG CB . 27544 1 170 . 1 1 45 45 ARG N N 15 125.9428 0.0189 . 1 . . . . . 45 ARG N . 27544 1 171 . 1 1 46 46 THR H H 1 7.4995 0.0039 . 1 . . . . . 46 THR H . 27544 1 172 . 1 1 46 46 THR CA C 13 59.0661 0.0124 . 1 . . . . . 46 THR CA . 27544 1 173 . 1 1 46 46 THR CB C 13 68.9565 0.0028 . 1 . . . . . 46 THR CB . 27544 1 174 . 1 1 46 46 THR N N 15 117.8560 0.0344 . 1 . . . . . 46 THR N . 27544 1 175 . 1 1 47 47 THR H H 1 8.0046 0.0038 . 1 . . . . . 47 THR H . 27544 1 176 . 1 1 47 47 THR CA C 13 59.1861 0.0118 . 1 . . . . . 47 THR CA . 27544 1 177 . 1 1 47 47 THR CB C 13 71.2363 0.0365 . 1 . . . . . 47 THR CB . 27544 1 178 . 1 1 47 47 THR N N 15 108.4623 0.0212 . 1 . . . . . 47 THR N . 27544 1 179 . 1 1 48 48 PHE H H 1 9.4663 0.0028 . 1 . . . . . 48 PHE H . 27544 1 180 . 1 1 48 48 PHE CA C 13 62.9297 0.0186 . 1 . . . . . 48 PHE CA . 27544 1 181 . 1 1 48 48 PHE CB C 13 39.1408 0.0260 . 1 . . . . . 48 PHE CB . 27544 1 182 . 1 1 48 48 PHE N N 15 123.8621 0.0376 . 1 . . . . . 48 PHE N . 27544 1 183 . 1 1 49 49 ALA H H 1 8.7242 0.0035 . 1 . . . . . 49 ALA H . 27544 1 184 . 1 1 49 49 ALA CA C 13 55.2466 0.0349 . 1 . . . . . 49 ALA CA . 27544 1 185 . 1 1 49 49 ALA CB C 13 18.3438 0.0749 . 1 . . . . . 49 ALA CB . 27544 1 186 . 1 1 49 49 ALA N N 15 118.6859 0.0426 . 1 . . . . . 49 ALA N . 27544 1 187 . 1 1 50 50 ASN H H 1 7.6305 0.0037 . 1 . . . . . 50 ASN H . 27544 1 188 . 1 1 50 50 ASN CA C 13 56.0647 0.0774 . 1 . . . . . 50 ASN CA . 27544 1 189 . 1 1 50 50 ASN CB C 13 38.2413 0.0325 . 1 . . . . . 50 ASN CB . 27544 1 190 . 1 1 50 50 ASN N N 15 116.6535 0.0442 . 1 . . . . . 50 ASN N . 27544 1 191 . 1 1 51 51 VAL H H 1 7.5836 0.0038 . 1 . . . . . 51 VAL H . 27544 1 192 . 1 1 51 51 VAL CA C 13 65.2209 0.0110 . 1 . . . . . 51 VAL CA . 27544 1 193 . 1 1 51 51 VAL CB C 13 30.9528 0.0518 . 1 . . . . . 51 VAL CB . 27544 1 194 . 1 1 51 51 VAL N N 15 121.5940 0.0242 . 1 . . . . . 51 VAL N . 27544 1 195 . 1 1 52 52 VAL H H 1 7.9820 0.0040 . 1 . . . . . 52 VAL H . 27544 1 196 . 1 1 52 52 VAL CA C 13 67.0526 0.0710 . 1 . . . . . 52 VAL CA . 27544 1 197 . 1 1 52 52 VAL CB C 13 30.6999 0.0692 . 1 . . . . . 52 VAL CB . 27544 1 198 . 1 1 52 52 VAL N N 15 119.1198 0.0445 . 1 . . . . . 52 VAL N . 27544 1 199 . 1 1 53 53 ASN H H 1 7.4341 0.0037 . 1 . . . . . 53 ASN H . 27544 1 200 . 1 1 53 53 ASN CA C 13 56.4091 0.0192 . 1 . . . . . 53 ASN CA . 27544 1 201 . 1 1 53 53 ASN CB C 13 38.0898 0.0480 . 1 . . . . . 53 ASN CB . 27544 1 202 . 1 1 53 53 ASN N N 15 117.4729 0.0286 . 1 . . . . . 53 ASN N . 27544 1 203 . 1 1 54 54 VAL H H 1 7.5838 0.0036 . 1 . . . . . 54 VAL H . 27544 1 204 . 1 1 54 54 VAL CA C 13 65.8466 0.0585 . 1 . . . . . 54 VAL CA . 27544 1 205 . 1 1 54 54 VAL CB C 13 30.3933 0.0502 . 1 . . . . . 54 VAL CB . 27544 1 206 . 1 1 54 54 VAL N N 15 123.3725 0.0304 . 1 . . . . . 54 VAL N . 27544 1 207 . 1 1 55 55 CYS H H 1 7.4511 0.0041 . 1 . . . . . 55 CYS H . 27544 1 208 . 1 1 55 55 CYS CA C 13 55.3956 0.0211 . 1 . . . . . 55 CYS CA . 27544 1 209 . 1 1 55 55 CYS CB C 13 38.4704 0.0220 . 1 . . . . . 55 CYS CB . 27544 1 210 . 1 1 55 55 CYS N N 15 115.8276 0.0806 . 1 . . . . . 55 CYS N . 27544 1 211 . 1 1 56 56 GLY H H 1 7.3839 0.0035 . 1 . . . . . 56 GLY H . 27544 1 212 . 1 1 56 56 GLY CA C 13 44.9233 0.0248 . 1 . . . . . 56 GLY CA . 27544 1 213 . 1 1 56 56 GLY N N 15 104.2882 0.0032 . 1 . . . . . 56 GLY N . 27544 1 214 . 1 1 57 57 ASN H H 1 7.7937 0.0035 . 1 . . . . . 57 ASN H . 27544 1 215 . 1 1 57 57 ASN CA C 13 52.0366 . . 1 . . . . . 57 ASN CA . 27544 1 216 . 1 1 57 57 ASN CB C 13 35.4681 . . 1 . . . . . 57 ASN CB . 27544 1 217 . 1 1 57 57 ASN N N 15 121.9489 0.0536 . 1 . . . . . 57 ASN N . 27544 1 218 . 1 1 58 58 PRO CA C 13 64.7315 0.0177 . 1 . . . . . 58 PRO CA . 27544 1 219 . 1 1 58 58 PRO CB C 13 32.2094 . . 1 . . . . . 58 PRO CB . 27544 1 220 . 1 1 59 59 ASN H H 1 8.4587 0.0031 . 1 . . . . . 59 ASN H . 27544 1 221 . 1 1 59 59 ASN CB C 13 38.5012 0.0106 . 1 . . . . . 59 ASN CB . 27544 1 222 . 1 1 59 59 ASN N N 15 120.8713 0.1310 . 1 . . . . . 59 ASN N . 27544 1 223 . 1 1 60 60 ILE H H 1 8.4539 0.0050 . 1 . . . . . 60 ILE H . 27544 1 224 . 1 1 60 60 ILE CA C 13 59.0003 0.0959 . 1 . . . . . 60 ILE CA . 27544 1 225 . 1 1 60 60 ILE CB C 13 43.2581 0.0240 . 1 . . . . . 60 ILE CB . 27544 1 226 . 1 1 60 60 ILE N N 15 117.1474 0.0992 . 1 . . . . . 60 ILE N . 27544 1 227 . 1 1 61 61 THR H H 1 8.2069 0.0039 . 1 . . . . . 61 THR H . 27544 1 228 . 1 1 61 61 THR CA C 13 63.4483 0.0079 . 1 . . . . . 61 THR CA . 27544 1 229 . 1 1 61 61 THR CB C 13 69.5102 0.0254 . 1 . . . . . 61 THR CB . 27544 1 230 . 1 1 61 61 THR N N 15 117.5033 0.0458 . 1 . . . . . 61 THR N . 27544 1 231 . 1 1 62 62 CYS H H 1 8.3025 0.0044 . 1 . . . . . 62 CYS H . 27544 1 232 . 1 1 62 62 CYS CA C 13 52.6822 . . 1 . . . . . 62 CYS CA . 27544 1 233 . 1 1 62 62 CYS CB C 13 40.7048 . . 1 . . . . . 62 CYS CB . 27544 1 234 . 1 1 62 62 CYS N N 15 128.2249 0.0476 . 1 . . . . . 62 CYS N . 27544 1 235 . 1 1 63 63 PRO CA C 13 65.3105 . . 1 . . . . . 63 PRO CA . 27544 1 236 . 1 1 63 63 PRO CB C 13 32.7892 . . 1 . . . . . 63 PRO CB . 27544 1 237 . 1 1 64 64 ARG H H 1 10.2919 0.0087 . 1 . . . . . 64 ARG H . 27544 1 238 . 1 1 64 64 ARG CA C 13 55.7281 0.0396 . 1 . . . . . 64 ARG CA . 27544 1 239 . 1 1 64 64 ARG CB C 13 29.0045 0.1129 . 1 . . . . . 64 ARG CB . 27544 1 240 . 1 1 64 64 ARG N N 15 115.6648 0.0182 . 1 . . . . . 64 ARG N . 27544 1 241 . 1 1 65 65 ASN H H 1 7.5458 0.0057 . 1 . . . . . 65 ASN H . 27544 1 242 . 1 1 65 65 ASN CA C 13 53.0043 0.0725 . 1 . . . . . 65 ASN CA . 27544 1 243 . 1 1 65 65 ASN CB C 13 38.4043 0.0259 . 1 . . . . . 65 ASN CB . 27544 1 244 . 1 1 65 65 ASN N N 15 118.3417 0.0335 . 1 . . . . . 65 ASN N . 27544 1 245 . 1 1 66 66 ARG H H 1 8.4852 0.0050 . 1 . . . . . 66 ARG H . 27544 1 246 . 1 1 66 66 ARG CA C 13 58.2988 0.1241 . 1 . . . . . 66 ARG CA . 27544 1 247 . 1 1 66 66 ARG CB C 13 29.3578 0.0515 . 1 . . . . . 66 ARG CB . 27544 1 248 . 1 1 66 66 ARG N N 15 120.0191 0.0675 . 1 . . . . . 66 ARG N . 27544 1 249 . 1 1 67 67 THR H H 1 7.6317 0.0039 . 1 . . . . . 67 THR H . 27544 1 250 . 1 1 67 67 THR CA C 13 62.6617 0.0843 . 1 . . . . . 67 THR CA . 27544 1 251 . 1 1 67 67 THR CB C 13 69.0511 0.0331 . 1 . . . . . 67 THR CB . 27544 1 252 . 1 1 67 67 THR N N 15 108.8285 0.0733 . 1 . . . . . 67 THR N . 27544 1 253 . 1 1 68 68 LEU H H 1 8.0657 0.0049 . 1 . . . . . 68 LEU H . 27544 1 254 . 1 1 68 68 LEU CA C 13 53.9392 0.0579 . 1 . . . . . 68 LEU CA . 27544 1 255 . 1 1 68 68 LEU CB C 13 43.8734 0.0862 . 1 . . . . . 68 LEU CB . 27544 1 256 . 1 1 68 68 LEU N N 15 122.8429 0.0310 . 1 . . . . . 68 LEU N . 27544 1 257 . 1 1 69 69 HIS H H 1 8.8475 0.0064 . 1 . . . . . 69 HIS H . 27544 1 258 . 1 1 69 69 HIS CA C 13 54.0925 0.0004 . 1 . . . . . 69 HIS CA . 27544 1 259 . 1 1 69 69 HIS CB C 13 28.7086 0.0828 . 1 . . . . . 69 HIS CB . 27544 1 260 . 1 1 69 69 HIS N N 15 118.9872 0.1016 . 1 . . . . . 69 HIS N . 27544 1 261 . 1 1 70 70 ASN H H 1 8.4135 0.0065 . 1 . . . . . 70 ASN H . 27544 1 262 . 1 1 70 70 ASN CA C 13 51.9416 0.0461 . 1 . . . . . 70 ASN CA . 27544 1 263 . 1 1 70 70 ASN CB C 13 37.0526 0.0026 . 1 . . . . . 70 ASN CB . 27544 1 264 . 1 1 70 70 ASN N N 15 117.9411 0.0857 . 1 . . . . . 70 ASN N . 27544 1 265 . 1 1 71 71 CYS H H 1 7.3169 0.0054 . 1 . . . . . 71 CYS H . 27544 1 266 . 1 1 71 71 CYS CA C 13 60.2944 0.0038 . 1 . . . . . 71 CYS CA . 27544 1 267 . 1 1 71 71 CYS CB C 13 46.9195 0.0348 . 1 . . . . . 71 CYS CB . 27544 1 268 . 1 1 71 71 CYS N N 15 115.0262 0.0437 . 1 . . . . . 71 CYS N . 27544 1 269 . 1 1 72 72 HIS H H 1 8.3990 0.0046 . 1 . . . . . 72 HIS H . 27544 1 270 . 1 1 72 72 HIS CA C 13 54.9251 0.0884 . 1 . . . . . 72 HIS CA . 27544 1 271 . 1 1 72 72 HIS CB C 13 33.5633 0.0223 . 1 . . . . . 72 HIS CB . 27544 1 272 . 1 1 72 72 HIS N N 15 115.5876 0.0197 . 1 . . . . . 72 HIS N . 27544 1 273 . 1 1 73 73 ARG H H 1 9.7853 0.0040 . 1 . . . . . 73 ARG H . 27544 1 274 . 1 1 73 73 ARG CA C 13 53.8433 0.0535 . 1 . . . . . 73 ARG CA . 27544 1 275 . 1 1 73 73 ARG CB C 13 32.7191 0.0575 . 1 . . . . . 73 ARG CB . 27544 1 276 . 1 1 73 73 ARG N N 15 126.6463 0.0248 . 1 . . . . . 73 ARG N . 27544 1 277 . 1 1 74 74 SER H H 1 9.0831 0.0025 . 1 . . . . . 74 SER H . 27544 1 278 . 1 1 74 74 SER CA C 13 59.3161 0.0672 . 1 . . . . . 74 SER CA . 27544 1 279 . 1 1 74 74 SER CB C 13 63.2955 0.0587 . 1 . . . . . 74 SER CB . 27544 1 280 . 1 1 74 74 SER N N 15 125.3120 0.0308 . 1 . . . . . 74 SER N . 27544 1 281 . 1 1 75 75 ARG H H 1 9.0830 0.0038 . 1 . . . . . 75 ARG H . 27544 1 282 . 1 1 75 75 ARG CA C 13 58.0179 0.0357 . 1 . . . . . 75 ARG CA . 27544 1 283 . 1 1 75 75 ARG CB C 13 30.6785 0.0371 . 1 . . . . . 75 ARG CB . 27544 1 284 . 1 1 75 75 ARG N N 15 122.4054 0.0496 . 1 . . . . . 75 ARG N . 27544 1 285 . 1 1 76 76 PHE H H 1 7.7778 0.0043 . 1 . . . . . 76 PHE H . 27544 1 286 . 1 1 76 76 PHE CA C 13 55.2473 0.0261 . 1 . . . . . 76 PHE CA . 27544 1 287 . 1 1 76 76 PHE CB C 13 42.0604 0.0730 . 1 . . . . . 76 PHE CB . 27544 1 288 . 1 1 76 76 PHE N N 15 113.8751 0.0463 . 1 . . . . . 76 PHE N . 27544 1 289 . 1 1 77 77 GLN H H 1 8.7081 0.0037 . 1 . . . . . 77 GLN H . 27544 1 290 . 1 1 77 77 GLN CA C 13 55.2713 0.0239 . 1 . . . . . 77 GLN CA . 27544 1 291 . 1 1 77 77 GLN CB C 13 29.8247 0.0615 . 1 . . . . . 77 GLN CB . 27544 1 292 . 1 1 77 77 GLN N N 15 121.2798 0.0555 . 1 . . . . . 77 GLN N . 27544 1 293 . 1 1 78 78 VAL H H 1 8.5624 0.0034 . 1 . . . . . 78 VAL H . 27544 1 294 . 1 1 78 78 VAL CA C 13 57.6415 . . 1 . . . . . 78 VAL CA . 27544 1 295 . 1 1 78 78 VAL CB C 13 34.0224 . . 1 . . . . . 78 VAL CB . 27544 1 296 . 1 1 78 78 VAL N N 15 117.2321 0.0467 . 1 . . . . . 78 VAL N . 27544 1 297 . 1 1 79 79 PRO CA C 13 62.1113 0.0803 . 1 . . . . . 79 PRO CA . 27544 1 298 . 1 1 79 79 PRO CB C 13 31.4292 0.0507 . 1 . . . . . 79 PRO CB . 27544 1 299 . 1 1 80 80 LEU H H 1 8.9574 0.0055 . 1 . . . . . 80 LEU H . 27544 1 300 . 1 1 80 80 LEU CA C 13 53.3387 0.0481 . 1 . . . . . 80 LEU CA . 27544 1 301 . 1 1 80 80 LEU CB C 13 45.7080 0.0502 . 1 . . . . . 80 LEU CB . 27544 1 302 . 1 1 80 80 LEU N N 15 118.5345 0.0392 . 1 . . . . . 80 LEU N . 27544 1 303 . 1 1 81 81 LEU H H 1 8.8933 0.0040 . 1 . . . . . 81 LEU H . 27544 1 304 . 1 1 81 81 LEU CA C 13 53.8415 0.1191 . 1 . . . . . 81 LEU CA . 27544 1 305 . 1 1 81 81 LEU CB C 13 45.8117 0.0547 . 1 . . . . . 81 LEU CB . 27544 1 306 . 1 1 81 81 LEU N N 15 123.8518 0.0353 . 1 . . . . . 81 LEU N . 27544 1 307 . 1 1 82 82 HIS H H 1 9.7280 0.0042 . 1 . . . . . 82 HIS H . 27544 1 308 . 1 1 82 82 HIS CA C 13 54.7514 0.0282 . 1 . . . . . 82 HIS CA . 27544 1 309 . 1 1 82 82 HIS CB C 13 32.2452 0.0394 . 1 . . . . . 82 HIS CB . 27544 1 310 . 1 1 82 82 HIS N N 15 126.2234 0.0464 . 1 . . . . . 82 HIS N . 27544 1 311 . 1 1 83 83 CYS H H 1 8.8268 0.0038 . 1 . . . . . 83 CYS H . 27544 1 312 . 1 1 83 83 CYS CA C 13 51.5882 0.0075 . 1 . . . . . 83 CYS CA . 27544 1 313 . 1 1 83 83 CYS CB C 13 39.5771 0.0546 . 1 . . . . . 83 CYS CB . 27544 1 314 . 1 1 83 83 CYS N N 15 121.6753 0.0222 . 1 . . . . . 83 CYS N . 27544 1 315 . 1 1 84 84 ASN H H 1 8.7111 0.0042 . 1 . . . . . 84 ASN H . 27544 1 316 . 1 1 84 84 ASN CA C 13 52.9713 0.0472 . 1 . . . . . 84 ASN CA . 27544 1 317 . 1 1 84 84 ASN CB C 13 42.1687 0.0758 . 1 . . . . . 84 ASN CB . 27544 1 318 . 1 1 84 84 ASN N N 15 121.1087 0.0355 . 1 . . . . . 84 ASN N . 27544 1 319 . 1 1 85 85 LEU H H 1 8.8359 0.0041 . 1 . . . . . 85 LEU H . 27544 1 320 . 1 1 85 85 LEU CA C 13 55.6301 0.0339 . 1 . . . . . 85 LEU CA . 27544 1 321 . 1 1 85 85 LEU CB C 13 43.2901 0.0255 . 1 . . . . . 85 LEU CB . 27544 1 322 . 1 1 85 85 LEU N N 15 128.9060 0.0318 . 1 . . . . . 85 LEU N . 27544 1 323 . 1 1 86 86 THR H H 1 9.0430 0.0039 . 1 . . . . . 86 THR H . 27544 1 324 . 1 1 86 86 THR CA C 13 62.5023 0.0203 . 1 . . . . . 86 THR CA . 27544 1 325 . 1 1 86 86 THR CB C 13 69.6150 0.0372 . 1 . . . . . 86 THR CB . 27544 1 326 . 1 1 86 86 THR N N 15 118.6520 0.0518 . 1 . . . . . 86 THR N . 27544 1 327 . 1 1 87 87 ASN H H 1 8.1370 0.0035 . 1 . . . . . 87 ASN H . 27544 1 328 . 1 1 87 87 ASN CA C 13 51.0415 . . 1 . . . . . 87 ASN CA . 27544 1 329 . 1 1 87 87 ASN CB C 13 36.6461 . . 1 . . . . . 87 ASN CB . 27544 1 330 . 1 1 87 87 ASN N N 15 118.8410 0.0461 . 1 . . . . . 87 ASN N . 27544 1 331 . 1 1 88 88 PRO CA C 13 63.9965 0.0578 . 1 . . . . . 88 PRO CA . 27544 1 332 . 1 1 88 88 PRO CB C 13 31.6920 0.0472 . 1 . . . . . 88 PRO CB . 27544 1 333 . 1 1 89 89 GLY H H 1 8.6525 0.0035 . 1 . . . . . 89 GLY H . 27544 1 334 . 1 1 89 89 GLY CA C 13 44.8690 0.0399 . 1 . . . . . 89 GLY CA . 27544 1 335 . 1 1 89 89 GLY N N 15 109.0716 0.0216 . 1 . . . . . 89 GLY N . 27544 1 336 . 1 1 90 90 ALA H H 1 7.7116 0.0033 . 1 . . . . . 90 ALA H . 27544 1 337 . 1 1 90 90 ALA CA C 13 53.1862 0.0027 . 1 . . . . . 90 ALA CA . 27544 1 338 . 1 1 90 90 ALA CB C 13 18.7091 0.0055 . 1 . . . . . 90 ALA CB . 27544 1 339 . 1 1 90 90 ALA N N 15 124.2100 0.0379 . 1 . . . . . 90 ALA N . 27544 1 340 . 1 1 91 91 GLN H H 1 8.6039 0.0027 . 1 . . . . . 91 GLN H . 27544 1 341 . 1 1 91 91 GLN CA C 13 57.0488 0.0263 . 1 . . . . . 91 GLN CA . 27544 1 342 . 1 1 91 91 GLN CB C 13 29.4855 0.0301 . 1 . . . . . 91 GLN CB . 27544 1 343 . 1 1 91 91 GLN N N 15 121.0620 0.0200 . 1 . . . . . 91 GLN N . 27544 1 344 . 1 1 92 92 ASN H H 1 7.7651 0.0037 . 1 . . . . . 92 ASN H . 27544 1 345 . 1 1 92 92 ASN CA C 13 51.8621 0.0269 . 1 . . . . . 92 ASN CA . 27544 1 346 . 1 1 92 92 ASN CB C 13 39.9841 0.0294 . 1 . . . . . 92 ASN CB . 27544 1 347 . 1 1 92 92 ASN N N 15 116.5872 0.0337 . 1 . . . . . 92 ASN N . 27544 1 348 . 1 1 93 93 ILE H H 1 8.6256 0.0035 . 1 . . . . . 93 ILE H . 27544 1 349 . 1 1 93 93 ILE CA C 13 63.9518 0.0808 . 1 . . . . . 93 ILE CA . 27544 1 350 . 1 1 93 93 ILE CB C 13 38.4141 0.0008 . 1 . . . . . 93 ILE CB . 27544 1 351 . 1 1 93 93 ILE N N 15 122.1213 0.0317 . 1 . . . . . 93 ILE N . 27544 1 352 . 1 1 94 94 SER H H 1 8.5367 0.0039 . 1 . . . . . 94 SER H . 27544 1 353 . 1 1 94 94 SER CA C 13 60.4972 0.0936 . 1 . . . . . 94 SER CA . 27544 1 354 . 1 1 94 94 SER CB C 13 62.6785 0.0813 . 1 . . . . . 94 SER CB . 27544 1 355 . 1 1 94 94 SER N N 15 116.4918 0.0221 . 1 . . . . . 94 SER N . 27544 1 356 . 1 1 95 95 ASN H H 1 8.1745 0.0046 . 1 . . . . . 95 ASN H . 27544 1 357 . 1 1 95 95 ASN CA C 13 52.6403 0.0237 . 1 . . . . . 95 ASN CA . 27544 1 358 . 1 1 95 95 ASN CB C 13 39.5728 0.0218 . 1 . . . . . 95 ASN CB . 27544 1 359 . 1 1 95 95 ASN N N 15 117.8831 0.0461 . 1 . . . . . 95 ASN N . 27544 1 360 . 1 1 96 96 CYS H H 1 7.4853 0.0039 . 1 . . . . . 96 CYS H . 27544 1 361 . 1 1 96 96 CYS CA C 13 56.3854 0.0236 . 1 . . . . . 96 CYS CA . 27544 1 362 . 1 1 96 96 CYS CB C 13 42.4034 0.0543 . 1 . . . . . 96 CYS CB . 27544 1 363 . 1 1 96 96 CYS N N 15 120.0812 0.0362 . 1 . . . . . 96 CYS N . 27544 1 364 . 1 1 97 97 LYS H H 1 9.8514 0.0036 . 1 . . . . . 97 LYS H . 27544 1 365 . 1 1 97 97 LYS CA C 13 55.5313 0.0852 . 1 . . . . . 97 LYS CA . 27544 1 366 . 1 1 97 97 LYS CB C 13 35.0545 0.0082 . 1 . . . . . 97 LYS CB . 27544 1 367 . 1 1 97 97 LYS N N 15 129.6260 0.0256 . 1 . . . . . 97 LYS N . 27544 1 368 . 1 1 98 98 TYR H H 1 8.3424 0.0085 . 1 . . . . . 98 TYR H . 27544 1 369 . 1 1 98 98 TYR CA C 13 56.7442 0.0609 . 1 . . . . . 98 TYR CA . 27544 1 370 . 1 1 98 98 TYR CB C 13 44.4247 0.0165 . 1 . . . . . 98 TYR CB . 27544 1 371 . 1 1 98 98 TYR N N 15 119.0113 0.1008 . 1 . . . . . 98 TYR N . 27544 1 372 . 1 1 99 99 ALA H H 1 9.1095 0.0029 . 1 . . . . . 99 ALA H . 27544 1 373 . 1 1 99 99 ALA CA C 13 50.8718 0.0132 . 1 . . . . . 99 ALA CA . 27544 1 374 . 1 1 99 99 ALA CB C 13 20.9339 0.0180 . 1 . . . . . 99 ALA CB . 27544 1 375 . 1 1 99 99 ALA N N 15 125.3892 0.0215 . 1 . . . . . 99 ALA N . 27544 1 376 . 1 1 100 100 ASP H H 1 8.1126 0.0038 . 1 . . . . . 100 ASP H . 27544 1 377 . 1 1 100 100 ASP CA C 13 54.4970 0.0993 . 1 . . . . . 100 ASP CA . 27544 1 378 . 1 1 100 100 ASP CB C 13 43.8231 0.0182 . 1 . . . . . 100 ASP CB . 27544 1 379 . 1 1 100 100 ASP N N 15 119.8963 0.0571 . 1 . . . . . 100 ASP N . 27544 1 380 . 1 1 101 101 ARG H H 1 8.8219 0.0030 . 1 . . . . . 101 ARG H . 27544 1 381 . 1 1 101 101 ARG CA C 13 56.5022 0.0159 . 1 . . . . . 101 ARG CA . 27544 1 382 . 1 1 101 101 ARG CB C 13 34.2793 0.0739 . 1 . . . . . 101 ARG CB . 27544 1 383 . 1 1 101 101 ARG N N 15 121.9990 0.0521 . 1 . . . . . 101 ARG N . 27544 1 384 . 1 1 102 102 THR H H 1 8.8241 0.0032 . 1 . . . . . 102 THR H . 27544 1 385 . 1 1 102 102 THR CA C 13 60.5795 0.0440 . 1 . . . . . 102 THR CA . 27544 1 386 . 1 1 102 102 THR CB C 13 70.6991 0.0419 . 1 . . . . . 102 THR CB . 27544 1 387 . 1 1 102 102 THR N N 15 119.4391 0.0360 . 1 . . . . . 102 THR N . 27544 1 388 . 1 1 103 103 GLU H H 1 8.0066 0.0033 . 1 . . . . . 103 GLU H . 27544 1 389 . 1 1 103 103 GLU CA C 13 54.7078 0.0183 . 1 . . . . . 103 GLU CA . 27544 1 390 . 1 1 103 103 GLU CB C 13 33.8087 0.0326 . 1 . . . . . 103 GLU CB . 27544 1 391 . 1 1 103 103 GLU N N 15 119.7646 0.0161 . 1 . . . . . 103 GLU N . 27544 1 392 . 1 1 104 104 ARG H H 1 8.4778 0.0052 . 1 . . . . . 104 ARG H . 27544 1 393 . 1 1 104 104 ARG CA C 13 55.9141 0.0262 . 1 . . . . . 104 ARG CA . 27544 1 394 . 1 1 104 104 ARG CB C 13 31.8867 0.0201 . 1 . . . . . 104 ARG CB . 27544 1 395 . 1 1 104 104 ARG N N 15 121.4901 0.0399 . 1 . . . . . 104 ARG N . 27544 1 396 . 1 1 105 105 ARG H H 1 8.1393 0.0038 . 1 . . . . . 105 ARG H . 27544 1 397 . 1 1 105 105 ARG CA C 13 54.2460 0.0320 . 1 . . . . . 105 ARG CA . 27544 1 398 . 1 1 105 105 ARG CB C 13 36.7478 0.0257 . 1 . . . . . 105 ARG CB . 27544 1 399 . 1 1 105 105 ARG N N 15 120.3082 0.0212 . 1 . . . . . 105 ARG N . 27544 1 400 . 1 1 106 106 PHE H H 1 8.7575 0.0048 . 1 . . . . . 106 PHE H . 27544 1 401 . 1 1 106 106 PHE CA C 13 58.7773 0.0456 . 1 . . . . . 106 PHE CA . 27544 1 402 . 1 1 106 106 PHE CB C 13 39.6244 0.0753 . 1 . . . . . 106 PHE CB . 27544 1 403 . 1 1 106 106 PHE N N 15 118.3776 0.0365 . 1 . . . . . 106 PHE N . 27544 1 404 . 1 1 107 107 TYR H H 1 8.4048 0.0036 . 1 . . . . . 107 TYR H . 27544 1 405 . 1 1 107 107 TYR CA C 13 55.4161 0.0127 . 1 . . . . . 107 TYR CA . 27544 1 406 . 1 1 107 107 TYR CB C 13 42.2104 0.0144 . 1 . . . . . 107 TYR CB . 27544 1 407 . 1 1 107 107 TYR N N 15 114.5601 0.0501 . 1 . . . . . 107 TYR N . 27544 1 408 . 1 1 108 108 VAL H H 1 8.4189 0.0057 . 1 . . . . . 108 VAL H . 27544 1 409 . 1 1 108 108 VAL CA C 13 60.4030 0.0700 . 1 . . . . . 108 VAL CA . 27544 1 410 . 1 1 108 108 VAL CB C 13 33.9358 0.0256 . 1 . . . . . 108 VAL CB . 27544 1 411 . 1 1 108 108 VAL N N 15 118.8761 0.0308 . 1 . . . . . 108 VAL N . 27544 1 412 . 1 1 109 109 VAL H H 1 8.7456 0.0038 . 1 . . . . . 109 VAL H . 27544 1 413 . 1 1 109 109 VAL CA C 13 57.7629 0.0604 . 1 . . . . . 109 VAL CA . 27544 1 414 . 1 1 109 109 VAL CB C 13 34.8797 0.0145 . 1 . . . . . 109 VAL CB . 27544 1 415 . 1 1 109 109 VAL N N 15 118.4831 0.0754 . 1 . . . . . 109 VAL N . 27544 1 416 . 1 1 110 110 ALA H H 1 8.8682 0.0053 . 1 . . . . . 110 ALA H . 27544 1 417 . 1 1 110 110 ALA CA C 13 50.9799 0.0220 . 1 . . . . . 110 ALA CA . 27544 1 418 . 1 1 110 110 ALA CB C 13 20.4367 0.0176 . 1 . . . . . 110 ALA CB . 27544 1 419 . 1 1 110 110 ALA N N 15 125.0188 0.0397 . 1 . . . . . 110 ALA N . 27544 1 420 . 1 1 111 111 CYS H H 1 8.4537 0.0041 . 1 . . . . . 111 CYS H . 27544 1 421 . 1 1 111 111 CYS CA C 13 54.8666 0.0458 . 1 . . . . . 111 CYS CA . 27544 1 422 . 1 1 111 111 CYS CB C 13 48.4698 0.0505 . 1 . . . . . 111 CYS CB . 27544 1 423 . 1 1 111 111 CYS N N 15 117.5526 0.0377 . 1 . . . . . 111 CYS N . 27544 1 424 . 1 1 112 112 ASP H H 1 9.1631 0.0035 . 1 . . . . . 112 ASP H . 27544 1 425 . 1 1 112 112 ASP CA C 13 52.1473 0.0215 . 1 . . . . . 112 ASP CA . 27544 1 426 . 1 1 112 112 ASP CB C 13 45.6638 0.0540 . 1 . . . . . 112 ASP CB . 27544 1 427 . 1 1 112 112 ASP N N 15 121.5426 0.0306 . 1 . . . . . 112 ASP N . 27544 1 428 . 1 1 113 113 ASN H H 1 8.9952 0.0032 . 1 . . . . . 113 ASN H . 27544 1 429 . 1 1 113 113 ASN CA C 13 54.0742 0.0992 . 1 . . . . . 113 ASN CA . 27544 1 430 . 1 1 113 113 ASN CB C 13 38.8588 0.0620 . 1 . . . . . 113 ASN CB . 27544 1 431 . 1 1 113 113 ASN N N 15 118.8921 0.0155 . 1 . . . . . 113 ASN N . 27544 1 432 . 1 1 114 114 ARG H H 1 8.2335 0.0042 . 1 . . . . . 114 ARG H . 27544 1 433 . 1 1 114 114 ARG CA C 13 56.0058 0.0489 . 1 . . . . . 114 ARG CA . 27544 1 434 . 1 1 114 114 ARG CB C 13 29.2523 0.0622 . 1 . . . . . 114 ARG CB . 27544 1 435 . 1 1 114 114 ARG N N 15 119.1872 0.0634 . 1 . . . . . 114 ARG N . 27544 1 436 . 1 1 115 115 ASP H H 1 9.5433 0.0034 . 1 . . . . . 115 ASP H . 27544 1 437 . 1 1 115 115 ASP CA C 13 52.1667 . . 1 . . . . . 115 ASP CA . 27544 1 438 . 1 1 115 115 ASP CB C 13 43.9229 . . 1 . . . . . 115 ASP CB . 27544 1 439 . 1 1 115 115 ASP N N 15 125.7147 0.0182 . 1 . . . . . 115 ASP N . 27544 1 440 . 1 1 116 116 PRO CA C 13 65.5879 0.0279 . 1 . . . . . 116 PRO CA . 27544 1 441 . 1 1 116 116 PRO CB C 13 32.2068 0.0368 . 1 . . . . . 116 PRO CB . 27544 1 442 . 1 1 117 117 ARG H H 1 9.3976 0.0039 . 1 . . . . . 117 ARG H . 27544 1 443 . 1 1 117 117 ARG CA C 13 56.6284 0.0757 . 1 . . . . . 117 ARG CA . 27544 1 444 . 1 1 117 117 ARG CB C 13 30.4156 0.0553 . 1 . . . . . 117 ARG CB . 27544 1 445 . 1 1 117 117 ARG N N 15 114.1756 0.0276 . 1 . . . . . 117 ARG N . 27544 1 446 . 1 1 118 118 ASP H H 1 8.1968 0.0035 . 1 . . . . . 118 ASP H . 27544 1 447 . 1 1 118 118 ASP CA C 13 55.3967 0.0067 . 1 . . . . . 118 ASP CA . 27544 1 448 . 1 1 118 118 ASP CB C 13 43.0880 0.0617 . 1 . . . . . 118 ASP CB . 27544 1 449 . 1 1 118 118 ASP N N 15 119.7974 0.0404 . 1 . . . . . 118 ASP N . 27544 1 450 . 1 1 119 119 SER H H 1 8.3583 0.0039 . 1 . . . . . 119 SER H . 27544 1 451 . 1 1 119 119 SER CA C 13 56.0420 . . 1 . . . . . 119 SER CA . 27544 1 452 . 1 1 119 119 SER CB C 13 64.0687 . . 1 . . . . . 119 SER CB . 27544 1 453 . 1 1 119 119 SER N N 15 113.8303 0.0264 . 1 . . . . . 119 SER N . 27544 1 454 . 1 1 120 120 PRO CA C 13 63.5400 0.0257 . 1 . . . . . 120 PRO CA . 27544 1 455 . 1 1 120 120 PRO CB C 13 31.8644 0.0011 . 1 . . . . . 120 PRO CB . 27544 1 456 . 1 1 121 121 ARG H H 1 7.6958 0.0016 . 1 . . . . . 121 ARG H . 27544 1 457 . 1 1 121 121 ARG CA C 13 58.2579 0.0650 . 1 . . . . . 121 ARG CA . 27544 1 458 . 1 1 121 121 ARG CB C 13 30.4588 0.0522 . 1 . . . . . 121 ARG CB . 27544 1 459 . 1 1 121 121 ARG N N 15 116.9524 0.0319 . 1 . . . . . 121 ARG N . 27544 1 460 . 1 1 122 122 TYR H H 1 6.6358 0.0031 . 1 . . . . . 122 TYR H . 27544 1 461 . 1 1 122 122 TYR CA C 13 52.1837 . . 1 . . . . . 122 TYR CA . 27544 1 462 . 1 1 122 122 TYR CB C 13 38.9547 . . 1 . . . . . 122 TYR CB . 27544 1 463 . 1 1 122 122 TYR N N 15 113.6407 0.0239 . 1 . . . . . 122 TYR N . 27544 1 464 . 1 1 123 123 PRO CA C 13 64.8930 0.0787 . 1 . . . . . 123 PRO CA . 27544 1 465 . 1 1 123 123 PRO CB C 13 32.5902 0.0805 . 1 . . . . . 123 PRO CB . 27544 1 466 . 1 1 124 124 VAL H H 1 7.8700 0.0025 . 1 . . . . . 124 VAL H . 27544 1 467 . 1 1 124 124 VAL CA C 13 61.4590 0.0469 . 1 . . . . . 124 VAL CA . 27544 1 468 . 1 1 124 124 VAL CB C 13 34.2261 0.0679 . 1 . . . . . 124 VAL CB . 27544 1 469 . 1 1 124 124 VAL N N 15 118.6305 0.0539 . 1 . . . . . 124 VAL N . 27544 1 470 . 1 1 125 125 VAL H H 1 8.8390 0.0038 . 1 . . . . . 125 VAL H . 27544 1 471 . 1 1 125 125 VAL CA C 13 56.5016 . . 1 . . . . . 125 VAL CA . 27544 1 472 . 1 1 125 125 VAL CB C 13 34.5445 . . 1 . . . . . 125 VAL CB . 27544 1 473 . 1 1 125 125 VAL N N 15 114.6479 0.0148 . 1 . . . . . 125 VAL N . 27544 1 474 . 1 1 126 126 PRO CA C 13 61.4322 0.0116 . 1 . . . . . 126 PRO CA . 27544 1 475 . 1 1 126 126 PRO CB C 13 31.2153 0.0182 . 1 . . . . . 126 PRO CB . 27544 1 476 . 1 1 127 127 VAL H H 1 8.3593 0.0043 . 1 . . . . . 127 VAL H . 27544 1 477 . 1 1 127 127 VAL CA C 13 60.2529 0.0242 . 1 . . . . . 127 VAL CA . 27544 1 478 . 1 1 127 127 VAL CB C 13 34.9967 0.0421 . 1 . . . . . 127 VAL CB . 27544 1 479 . 1 1 127 127 VAL N N 15 105.2643 0.0280 . 1 . . . . . 127 VAL N . 27544 1 480 . 1 1 128 128 HIS H H 1 7.3932 0.0053 . 1 . . . . . 128 HIS H . 27544 1 481 . 1 1 128 128 HIS CA C 13 56.4637 0.0123 . 1 . . . . . 128 HIS CA . 27544 1 482 . 1 1 128 128 HIS CB C 13 33.5502 0.0098 . 1 . . . . . 128 HIS CB . 27544 1 483 . 1 1 128 128 HIS N N 15 119.4833 0.0533 . 1 . . . . . 128 HIS N . 27544 1 484 . 1 1 129 129 LEU H H 1 8.8216 0.0038 . 1 . . . . . 129 LEU H . 27544 1 485 . 1 1 129 129 LEU CA C 13 53.7966 0.0307 . 1 . . . . . 129 LEU CA . 27544 1 486 . 1 1 129 129 LEU CB C 13 41.0658 0.0265 . 1 . . . . . 129 LEU CB . 27544 1 487 . 1 1 129 129 LEU N N 15 130.2152 0.0267 . 1 . . . . . 129 LEU N . 27544 1 488 . 1 1 130 130 ASP H H 1 8.7290 0.0055 . 1 . . . . . 130 ASP H . 27544 1 489 . 1 1 130 130 ASP CA C 13 58.0098 0.0829 . 1 . . . . . 130 ASP CA . 27544 1 490 . 1 1 130 130 ASP CB C 13 46.5042 0.0943 . 1 . . . . . 130 ASP CB . 27544 1 491 . 1 1 130 130 ASP N N 15 129.5331 0.0596 . 1 . . . . . 130 ASP N . 27544 1 492 . 1 1 131 131 THR H H 1 7.4483 0.0060 . 1 . . . . . 131 THR H . 27544 1 493 . 1 1 131 131 THR CA C 13 60.5432 0.0986 . 1 . . . . . 131 THR CA . 27544 1 494 . 1 1 131 131 THR CB C 13 68.6965 0.0601 . 1 . . . . . 131 THR CB . 27544 1 495 . 1 1 131 131 THR N N 15 105.4367 0.0473 . 1 . . . . . 131 THR N . 27544 1 496 . 1 1 132 132 THR H H 1 8.0676 0.0043 . 1 . . . . . 132 THR H . 27544 1 497 . 1 1 132 132 THR CA C 13 60.2474 0.0327 . 1 . . . . . 132 THR CA . 27544 1 498 . 1 1 132 132 THR CB C 13 70.9268 0.0757 . 1 . . . . . 132 THR CB . 27544 1 499 . 1 1 132 132 THR N N 15 112.7376 0.0188 . 1 . . . . . 132 THR N . 27544 1 500 . 1 1 133 133 ILE H H 1 8.4522 0.0048 . 1 . . . . . 133 ILE H . 27544 1 501 . 1 1 133 133 ILE CA C 13 63.6979 . . 1 . . . . . 133 ILE CA . 27544 1 502 . 1 1 133 133 ILE CB C 13 42.5264 . . 1 . . . . . 133 ILE CB . 27544 1 503 . 1 1 133 133 ILE N N 15 125.5678 0.0548 . 1 . . . . . 133 ILE N . 27544 1 stop_ save_