data_27483 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27483 _Entry.Title ; Backbone assignment of ICP27 1-138 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-15 _Entry.Accession_date 2018-05-15 _Entry.Last_release_date 2018-05-16 _Entry.Original_release_date 2018-05-16 _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 assignment of intrinsically disordered region of HSV-1 ICP27 residues 1-138' _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 Richard Tunnicliffe . B. . . 27483 2 Xiaochen Tian . . . . 27483 3 Joanna Storer . . . . 27483 4 Rozanne Sandri-Goldin . M. . . 27483 5 Alexander Golovanov . P. . . 27483 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27483 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 27483 '15N chemical shifts' 140 27483 '1H chemical shifts' 118 27483 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 2 . . 2018-10-10 2018-05-15 update BMRB 'update entry citation' 27483 1 . . 2018-09-24 2018-05-15 original author 'original release' 27483 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27483 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-018-33379-x _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Overlapping motifs on the herpes viral proteins ICP27 and ORF57 mediate interactions with the mRNA export adaptors ALYREF and UIF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _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 15005 _Citation.Page_last 15005 _Citation.Year 2018 _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 Richard Tunnicliffe . B. . . 27483 1 2 Xiaochen Tian . . . . 27483 1 3 Joanna Storer . . . . 27483 1 4 Rozanne Sandri-Goldin . M. . . 27483 1 5 Alexander Golovanov . P. . . 27483 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27483 _Assembly.ID 1 _Assembly.Name 'ICP27 1-138' _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 17119.64 _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 'ICP27 1-138' 1 $ICP27 A . yes native no no . . . 27483 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ICP27 _Entity.Sf_category entity _Entity.Sf_framecode ICP27 _Entity.Entry_ID 27483 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ICP27 _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 ; MATDIDMLIDLGLDLSDSDL DEDPPEPAESRRDDLESDSN GECSSSDEDMEDPHGEDGPE PILDAARPAVRPSRPEDPGV PSTQTPRPTERQGPNDPQPA PHSVWSRLGARRPSCSPERH GGKVARLQPPPTKAQPARKL LEVLFQGPLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 139-156 are not wild-type and introduced during cloning' _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9J0X9 . ICP27 . . . . . . . . . . . . . . 27483 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Multifunctional regulator of viral gene expression' 27483 1 'Nuclear export of viral mRNAs' 27483 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 . MET . 27483 1 2 . ALA . 27483 1 3 . THR . 27483 1 4 . ASP . 27483 1 5 . ILE . 27483 1 6 . ASP . 27483 1 7 . MET . 27483 1 8 . LEU . 27483 1 9 . ILE . 27483 1 10 . ASP . 27483 1 11 . LEU . 27483 1 12 . GLY . 27483 1 13 . LEU . 27483 1 14 . ASP . 27483 1 15 . LEU . 27483 1 16 . SER . 27483 1 17 . ASP . 27483 1 18 . SER . 27483 1 19 . ASP . 27483 1 20 . LEU . 27483 1 21 . ASP . 27483 1 22 . GLU . 27483 1 23 . ASP . 27483 1 24 . PRO . 27483 1 25 . PRO . 27483 1 26 . GLU . 27483 1 27 . PRO . 27483 1 28 . ALA . 27483 1 29 . GLU . 27483 1 30 . SER . 27483 1 31 . ARG . 27483 1 32 . ARG . 27483 1 33 . ASP . 27483 1 34 . ASP . 27483 1 35 . LEU . 27483 1 36 . GLU . 27483 1 37 . SER . 27483 1 38 . ASP . 27483 1 39 . SER . 27483 1 40 . ASN . 27483 1 41 . GLY . 27483 1 42 . GLU . 27483 1 43 . CYS . 27483 1 44 . SER . 27483 1 45 . SER . 27483 1 46 . SER . 27483 1 47 . ASP . 27483 1 48 . GLU . 27483 1 49 . ASP . 27483 1 50 . MET . 27483 1 51 . GLU . 27483 1 52 . ASP . 27483 1 53 . PRO . 27483 1 54 . HIS . 27483 1 55 . GLY . 27483 1 56 . GLU . 27483 1 57 . ASP . 27483 1 58 . GLY . 27483 1 59 . PRO . 27483 1 60 . GLU . 27483 1 61 . PRO . 27483 1 62 . ILE . 27483 1 63 . LEU . 27483 1 64 . ASP . 27483 1 65 . ALA . 27483 1 66 . ALA . 27483 1 67 . ARG . 27483 1 68 . PRO . 27483 1 69 . ALA . 27483 1 70 . VAL . 27483 1 71 . ARG . 27483 1 72 . PRO . 27483 1 73 . SER . 27483 1 74 . ARG . 27483 1 75 . PRO . 27483 1 76 . GLU . 27483 1 77 . ASP . 27483 1 78 . PRO . 27483 1 79 . GLY . 27483 1 80 . VAL . 27483 1 81 . PRO . 27483 1 82 . SER . 27483 1 83 . THR . 27483 1 84 . GLN . 27483 1 85 . THR . 27483 1 86 . PRO . 27483 1 87 . ARG . 27483 1 88 . PRO . 27483 1 89 . THR . 27483 1 90 . GLU . 27483 1 91 . ARG . 27483 1 92 . GLN . 27483 1 93 . GLY . 27483 1 94 . PRO . 27483 1 95 . ASN . 27483 1 96 . ASP . 27483 1 97 . PRO . 27483 1 98 . GLN . 27483 1 99 . PRO . 27483 1 100 . ALA . 27483 1 101 . PRO . 27483 1 102 . HIS . 27483 1 103 . SER . 27483 1 104 . VAL . 27483 1 105 . TRP . 27483 1 106 . SER . 27483 1 107 . ARG . 27483 1 108 . LEU . 27483 1 109 . GLY . 27483 1 110 . ALA . 27483 1 111 . ARG . 27483 1 112 . ARG . 27483 1 113 . PRO . 27483 1 114 . SER . 27483 1 115 . CYS . 27483 1 116 . SER . 27483 1 117 . PRO . 27483 1 118 . GLU . 27483 1 119 . ARG . 27483 1 120 . HIS . 27483 1 121 . GLY . 27483 1 122 . GLY . 27483 1 123 . LYS . 27483 1 124 . VAL . 27483 1 125 . ALA . 27483 1 126 . ARG . 27483 1 127 . LEU . 27483 1 128 . GLN . 27483 1 129 . PRO . 27483 1 130 . PRO . 27483 1 131 . PRO . 27483 1 132 . THR . 27483 1 133 . LYS . 27483 1 134 . ALA . 27483 1 135 . GLN . 27483 1 136 . PRO . 27483 1 137 . ALA . 27483 1 138 . ARG . 27483 1 139 . LYS . 27483 1 140 . LEU . 27483 1 141 . LEU . 27483 1 142 . GLU . 27483 1 143 . VAL . 27483 1 144 . LEU . 27483 1 145 . PHE . 27483 1 146 . GLN . 27483 1 147 . GLY . 27483 1 148 . PRO . 27483 1 149 . LEU . 27483 1 150 . GLU . 27483 1 151 . HIS . 27483 1 152 . HIS . 27483 1 153 . HIS . 27483 1 154 . HIS . 27483 1 155 . HIS . 27483 1 156 . HIS . 27483 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27483 1 . ALA 2 2 27483 1 . THR 3 3 27483 1 . ASP 4 4 27483 1 . ILE 5 5 27483 1 . ASP 6 6 27483 1 . MET 7 7 27483 1 . LEU 8 8 27483 1 . ILE 9 9 27483 1 . ASP 10 10 27483 1 . LEU 11 11 27483 1 . GLY 12 12 27483 1 . LEU 13 13 27483 1 . ASP 14 14 27483 1 . LEU 15 15 27483 1 . SER 16 16 27483 1 . ASP 17 17 27483 1 . SER 18 18 27483 1 . ASP 19 19 27483 1 . LEU 20 20 27483 1 . ASP 21 21 27483 1 . GLU 22 22 27483 1 . ASP 23 23 27483 1 . PRO 24 24 27483 1 . PRO 25 25 27483 1 . GLU 26 26 27483 1 . PRO 27 27 27483 1 . ALA 28 28 27483 1 . GLU 29 29 27483 1 . SER 30 30 27483 1 . ARG 31 31 27483 1 . ARG 32 32 27483 1 . ASP 33 33 27483 1 . ASP 34 34 27483 1 . LEU 35 35 27483 1 . GLU 36 36 27483 1 . SER 37 37 27483 1 . ASP 38 38 27483 1 . SER 39 39 27483 1 . ASN 40 40 27483 1 . GLY 41 41 27483 1 . GLU 42 42 27483 1 . CYS 43 43 27483 1 . SER 44 44 27483 1 . SER 45 45 27483 1 . SER 46 46 27483 1 . ASP 47 47 27483 1 . GLU 48 48 27483 1 . ASP 49 49 27483 1 . MET 50 50 27483 1 . GLU 51 51 27483 1 . ASP 52 52 27483 1 . PRO 53 53 27483 1 . HIS 54 54 27483 1 . GLY 55 55 27483 1 . GLU 56 56 27483 1 . ASP 57 57 27483 1 . GLY 58 58 27483 1 . PRO 59 59 27483 1 . GLU 60 60 27483 1 . PRO 61 61 27483 1 . ILE 62 62 27483 1 . LEU 63 63 27483 1 . ASP 64 64 27483 1 . ALA 65 65 27483 1 . ALA 66 66 27483 1 . ARG 67 67 27483 1 . PRO 68 68 27483 1 . ALA 69 69 27483 1 . VAL 70 70 27483 1 . ARG 71 71 27483 1 . PRO 72 72 27483 1 . SER 73 73 27483 1 . ARG 74 74 27483 1 . PRO 75 75 27483 1 . GLU 76 76 27483 1 . ASP 77 77 27483 1 . PRO 78 78 27483 1 . GLY 79 79 27483 1 . VAL 80 80 27483 1 . PRO 81 81 27483 1 . SER 82 82 27483 1 . THR 83 83 27483 1 . GLN 84 84 27483 1 . THR 85 85 27483 1 . PRO 86 86 27483 1 . ARG 87 87 27483 1 . PRO 88 88 27483 1 . THR 89 89 27483 1 . GLU 90 90 27483 1 . ARG 91 91 27483 1 . GLN 92 92 27483 1 . GLY 93 93 27483 1 . PRO 94 94 27483 1 . ASN 95 95 27483 1 . ASP 96 96 27483 1 . PRO 97 97 27483 1 . GLN 98 98 27483 1 . PRO 99 99 27483 1 . ALA 100 100 27483 1 . PRO 101 101 27483 1 . HIS 102 102 27483 1 . SER 103 103 27483 1 . VAL 104 104 27483 1 . TRP 105 105 27483 1 . SER 106 106 27483 1 . ARG 107 107 27483 1 . LEU 108 108 27483 1 . GLY 109 109 27483 1 . ALA 110 110 27483 1 . ARG 111 111 27483 1 . ARG 112 112 27483 1 . PRO 113 113 27483 1 . SER 114 114 27483 1 . CYS 115 115 27483 1 . SER 116 116 27483 1 . PRO 117 117 27483 1 . GLU 118 118 27483 1 . ARG 119 119 27483 1 . HIS 120 120 27483 1 . GLY 121 121 27483 1 . GLY 122 122 27483 1 . LYS 123 123 27483 1 . VAL 124 124 27483 1 . ALA 125 125 27483 1 . ARG 126 126 27483 1 . LEU 127 127 27483 1 . GLN 128 128 27483 1 . PRO 129 129 27483 1 . PRO 130 130 27483 1 . PRO 131 131 27483 1 . THR 132 132 27483 1 . LYS 133 133 27483 1 . ALA 134 134 27483 1 . GLN 135 135 27483 1 . PRO 136 136 27483 1 . ALA 137 137 27483 1 . ARG 138 138 27483 1 . LYS 139 139 27483 1 . LEU 140 140 27483 1 . LEU 141 141 27483 1 . GLU 142 142 27483 1 . VAL 143 143 27483 1 . LEU 144 144 27483 1 . PHE 145 145 27483 1 . GLN 146 146 27483 1 . GLY 147 147 27483 1 . PRO 148 148 27483 1 . LEU 149 149 27483 1 . GLU 150 150 27483 1 . HIS 151 151 27483 1 . HIS 152 152 27483 1 . HIS 153 153 27483 1 . HIS 154 154 27483 1 . HIS 155 155 27483 1 . HIS 156 156 27483 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 27483 _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 $ICP27 . 10298 virus . 'Herpes simplex virus 1' 'Herpes simplex virus 1' . . Viruses . Simplexvirus 'Herpes simplex virus 1' KOS . . . . . . . . . . UL54 . 27483 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 27483 _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 $ICP27 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) Codon plus RP' . . . . . pET-24b . . . 27483 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27483 _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 ICP27 '[U-100% 13C; U-100% 15N]' . . 1 $ICP27 . . 1.0 . . mM . . . . 27483 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27483 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27483 1 4 L-Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 27483 1 5 L-Glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 27483 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27483 1 7 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27483 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 27483 _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' 0.17 . M 27483 1 pH 6.2 . pH 27483 1 pressure 1 . atm 27483 1 temperature 298 . K 27483 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27483 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27483 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27483 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27483 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27483 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27483 2 processing 27483 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 27483 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27483 _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 1 800 Bruker Avance . 800 . . . 27483 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 27483 _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 $800 . . . . . . . . . . . . . . . . 27483 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27483 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27483 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27483 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27483 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27483 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 27483 _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 . . . . . 27483 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27483 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27483 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 27483 _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' . . . 27483 1 2 '3D HNCO' . . . 27483 1 3 '3D HN(CA)CO' . . . 27483 1 4 '3D HNCA' . . . 27483 1 5 '3D CBCA(CO)NH' . . . 27483 1 6 '3D HNCACB' . . . 27483 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 4 4 ASP H H 1 8.422 0.002 . 1 . . . . . 4 ASP H . 27483 1 2 . 1 1 4 4 ASP C C 13 176.432 0.000 . 1 . . . . . 4 ASP C . 27483 1 3 . 1 1 4 4 ASP CA C 13 54.690 0.000 . 1 . . . . . 4 ASP CA . 27483 1 4 . 1 1 4 4 ASP CB C 13 40.928 0.000 . 1 . . . . . 4 ASP CB . 27483 1 5 . 1 1 4 4 ASP N N 15 123.139 0.000 . 1 . . . . . 4 ASP N . 27483 1 6 . 1 1 5 5 ILE H H 1 7.974 0.001 . 1 . . . . . 5 ILE H . 27483 1 7 . 1 1 5 5 ILE C C 13 176.086 0.000 . 1 . . . . . 5 ILE C . 27483 1 8 . 1 1 5 5 ILE CA C 13 61.730 0.000 . 1 . . . . . 5 ILE CA . 27483 1 9 . 1 1 5 5 ILE CB C 13 38.711 0.000 . 1 . . . . . 5 ILE CB . 27483 1 10 . 1 1 5 5 ILE N N 15 120.104 0.005 . 1 . . . . . 5 ILE N . 27483 1 11 . 1 1 6 6 ASP H H 1 8.151 0.001 . 1 . . . . . 6 ASP H . 27483 1 12 . 1 1 6 6 ASP C C 13 176.492 0.000 . 1 . . . . . 6 ASP C . 27483 1 13 . 1 1 6 6 ASP CA C 13 55.080 0.000 . 1 . . . . . 6 ASP CA . 27483 1 14 . 1 1 6 6 ASP CB C 13 40.942 0.000 . 1 . . . . . 6 ASP CB . 27483 1 15 . 1 1 6 6 ASP N N 15 122.967 0.000 . 1 . . . . . 6 ASP N . 27483 1 16 . 1 1 7 7 MET H H 1 8.008 0.000 . 1 . . . . . 7 MET H . 27483 1 17 . 1 1 7 7 MET C C 13 176.219 0.000 . 1 . . . . . 7 MET C . 27483 1 18 . 1 1 7 7 MET CA C 13 55.912 0.000 . 1 . . . . . 7 MET CA . 27483 1 19 . 1 1 7 7 MET CB C 13 32.632 0.000 . 1 . . . . . 7 MET CB . 27483 1 20 . 1 1 7 7 MET N N 15 119.950 0.000 . 1 . . . . . 7 MET N . 27483 1 21 . 1 1 8 8 LEU H H 1 8.027 0.001 . 1 . . . . . 8 LEU H . 27483 1 22 . 1 1 8 8 LEU C C 13 177.441 0.000 . 1 . . . . . 8 LEU C . 27483 1 23 . 1 1 8 8 LEU CA C 13 55.657 0.000 . 1 . . . . . 8 LEU CA . 27483 1 24 . 1 1 8 8 LEU CB C 13 41.847 0.000 . 1 . . . . . 8 LEU CB . 27483 1 25 . 1 1 8 8 LEU N N 15 122.084 0.000 . 1 . . . . . 8 LEU N . 27483 1 26 . 1 1 9 9 ILE H H 1 7.843 0.001 . 1 . . . . . 9 ILE H . 27483 1 27 . 1 1 9 9 ILE C C 13 176.051 0.000 . 1 . . . . . 9 ILE C . 27483 1 28 . 1 1 9 9 ILE CA C 13 61.469 0.000 . 1 . . . . . 9 ILE CA . 27483 1 29 . 1 1 9 9 ILE CB C 13 38.735 0.000 . 1 . . . . . 9 ILE CB . 27483 1 30 . 1 1 9 9 ILE N N 15 120.867 0.000 . 1 . . . . . 9 ILE N . 27483 1 31 . 1 1 10 10 ASP H H 1 8.223 0.000 . 1 . . . . . 10 ASP H . 27483 1 32 . 1 1 10 10 ASP C C 13 176.390 0.000 . 1 . . . . . 10 ASP C . 27483 1 33 . 1 1 10 10 ASP CA C 13 54.372 0.000 . 1 . . . . . 10 ASP CA . 27483 1 34 . 1 1 10 10 ASP CB C 13 41.049 0.000 . 1 . . . . . 10 ASP CB . 27483 1 35 . 1 1 10 10 ASP N N 15 123.739 0.000 . 1 . . . . . 10 ASP N . 27483 1 36 . 1 1 11 11 LEU H H 1 8.142 0.001 . 1 . . . . . 11 LEU H . 27483 1 37 . 1 1 11 11 LEU C C 13 178.023 0.000 . 1 . . . . . 11 LEU C . 27483 1 38 . 1 1 11 11 LEU CA C 13 55.430 0.000 . 1 . . . . . 11 LEU CA . 27483 1 39 . 1 1 11 11 LEU CB C 13 42.077 0.000 . 1 . . . . . 11 LEU CB . 27483 1 40 . 1 1 11 11 LEU N N 15 122.907 0.000 . 1 . . . . . 11 LEU N . 27483 1 41 . 1 1 12 12 GLY H H 1 8.325 0.001 . 1 . . . . . 12 GLY H . 27483 1 42 . 1 1 12 12 GLY C C 13 174.291 0.000 . 1 . . . . . 12 GLY C . 27483 1 43 . 1 1 12 12 GLY CA C 13 45.627 0.000 . 1 . . . . . 12 GLY CA . 27483 1 44 . 1 1 12 12 GLY N N 15 108.533 0.000 . 1 . . . . . 12 GLY N . 27483 1 45 . 1 1 13 13 LEU H H 1 7.807 0.001 . 1 . . . . . 13 LEU H . 27483 1 46 . 1 1 13 13 LEU C C 13 176.765 0.000 . 1 . . . . . 13 LEU C . 27483 1 47 . 1 1 13 13 LEU CA C 13 54.990 0.000 . 1 . . . . . 13 LEU CA . 27483 1 48 . 1 1 13 13 LEU CB C 13 42.553 0.000 . 1 . . . . . 13 LEU CB . 27483 1 49 . 1 1 13 13 LEU N N 15 120.786 0.000 . 1 . . . . . 13 LEU N . 27483 1 50 . 1 1 14 14 ASP H H 1 8.325 0.001 . 1 . . . . . 14 ASP H . 27483 1 51 . 1 1 14 14 ASP C C 13 176.063 0.000 . 1 . . . . . 14 ASP C . 27483 1 52 . 1 1 14 14 ASP CA C 13 54.145 0.000 . 1 . . . . . 14 ASP CA . 27483 1 53 . 1 1 14 14 ASP CB C 13 40.897 0.000 . 1 . . . . . 14 ASP CB . 27483 1 54 . 1 1 14 14 ASP N N 15 120.991 0.000 . 1 . . . . . 14 ASP N . 27483 1 55 . 1 1 15 15 LEU H H 1 8.131 0.001 . 1 . . . . . 15 LEU H . 27483 1 56 . 1 1 15 15 LEU C C 13 177.568 0.000 . 1 . . . . . 15 LEU C . 27483 1 57 . 1 1 15 15 LEU CA C 13 54.950 0.000 . 1 . . . . . 15 LEU CA . 27483 1 58 . 1 1 15 15 LEU CB C 13 42.045 0.000 . 1 . . . . . 15 LEU CB . 27483 1 59 . 1 1 15 15 LEU N N 15 123.329 0.000 . 1 . . . . . 15 LEU N . 27483 1 60 . 1 1 16 16 SER H H 1 8.320 0.001 . 1 . . . . . 16 SER H . 27483 1 61 . 1 1 16 16 SER C C 13 174.438 0.000 . 1 . . . . . 16 SER C . 27483 1 62 . 1 1 16 16 SER CA C 13 58.743 0.000 . 1 . . . . . 16 SER CA . 27483 1 63 . 1 1 16 16 SER CB C 13 64.063 0.000 . 1 . . . . . 16 SER CB . 27483 1 64 . 1 1 16 16 SER N N 15 116.642 0.000 . 1 . . . . . 16 SER N . 27483 1 65 . 1 1 17 17 ASP H H 1 8.291 0.001 . 1 . . . . . 17 ASP H . 27483 1 66 . 1 1 17 17 ASP C C 13 176.347 0.000 . 1 . . . . . 17 ASP C . 27483 1 67 . 1 1 17 17 ASP CA C 13 54.463 0.000 . 1 . . . . . 17 ASP CA . 27483 1 68 . 1 1 17 17 ASP CB C 13 40.971 0.000 . 1 . . . . . 17 ASP CB . 27483 1 69 . 1 1 17 17 ASP N N 15 122.335 0.006 . 1 . . . . . 17 ASP N . 27483 1 70 . 1 1 18 18 SER H H 1 8.089 0.001 . 1 . . . . . 18 SER H . 27483 1 71 . 1 1 18 18 SER C C 13 174.295 0.000 . 1 . . . . . 18 SER C . 27483 1 72 . 1 1 18 18 SER CA C 13 58.670 0.000 . 1 . . . . . 18 SER CA . 27483 1 73 . 1 1 18 18 SER CB C 13 64.089 0.000 . 1 . . . . . 18 SER CB . 27483 1 74 . 1 1 18 18 SER N N 15 115.630 0.007 . 1 . . . . . 18 SER N . 27483 1 75 . 1 1 19 19 ASP H H 1 8.297 0.002 . 1 . . . . . 19 ASP H . 27483 1 76 . 1 1 19 19 ASP C C 13 176.070 0.000 . 1 . . . . . 19 ASP C . 27483 1 77 . 1 1 19 19 ASP CA C 13 54.526 0.000 . 1 . . . . . 19 ASP CA . 27483 1 78 . 1 1 19 19 ASP CB C 13 40.983 0.000 . 1 . . . . . 19 ASP CB . 27483 1 79 . 1 1 19 19 ASP N N 15 122.518 0.008 . 1 . . . . . 19 ASP N . 27483 1 80 . 1 1 20 20 LEU H H 1 7.943 0.001 . 1 . . . . . 20 LEU H . 27483 1 81 . 1 1 20 20 LEU C C 13 177.032 0.000 . 1 . . . . . 20 LEU C . 27483 1 82 . 1 1 20 20 LEU CA C 13 55.128 0.000 . 1 . . . . . 20 LEU CA . 27483 1 83 . 1 1 20 20 LEU CB C 13 42.482 0.000 . 1 . . . . . 20 LEU CB . 27483 1 84 . 1 1 20 20 LEU N N 15 121.557 0.000 . 1 . . . . . 20 LEU N . 27483 1 85 . 1 1 21 21 ASP H H 1 8.183 0.000 . 1 . . . . . 21 ASP H . 27483 1 86 . 1 1 21 21 ASP C C 13 175.852 0.000 . 1 . . . . . 21 ASP C . 27483 1 87 . 1 1 21 21 ASP CA C 13 54.285 0.000 . 1 . . . . . 21 ASP CA . 27483 1 88 . 1 1 21 21 ASP CB C 13 41.111 0.000 . 1 . . . . . 21 ASP CB . 27483 1 89 . 1 1 21 21 ASP N N 15 121.232 0.000 . 1 . . . . . 21 ASP N . 27483 1 90 . 1 1 22 22 GLU H H 1 8.091 0.001 . 1 . . . . . 22 GLU H . 27483 1 91 . 1 1 22 22 GLU C C 13 175.871 0.000 . 1 . . . . . 22 GLU C . 27483 1 92 . 1 1 22 22 GLU CA C 13 56.011 0.000 . 1 . . . . . 22 GLU CA . 27483 1 93 . 1 1 22 22 GLU CB C 13 30.739 0.000 . 1 . . . . . 22 GLU CB . 27483 1 94 . 1 1 22 22 GLU N N 15 120.800 0.004 . 1 . . . . . 22 GLU N . 27483 1 95 . 1 1 23 23 ASP H H 1 8.371 0.002 . 1 . . . . . 23 ASP H . 27483 1 96 . 1 1 23 23 ASP C C 13 173.443 0.000 . 1 . . . . . 23 ASP C . 27483 1 97 . 1 1 23 23 ASP CA C 13 52.711 0.000 . 1 . . . . . 23 ASP CA . 27483 1 98 . 1 1 23 23 ASP CB C 13 40.301 0.000 . 1 . . . . . 23 ASP CB . 27483 1 99 . 1 1 23 23 ASP N N 15 122.926 0.000 . 1 . . . . . 23 ASP N . 27483 1 100 . 1 1 24 24 PRO CA C 13 61.390 0.000 . 1 . . . . . 24 PRO CA . 27483 1 101 . 1 1 24 24 PRO CD C 13 50.304 0.000 . 1 . . . . . 24 PRO CD . 27483 1 102 . 1 1 24 24 PRO N N 15 137.312 0.000 . 1 . . . . . 24 PRO N . 27483 1 103 . 1 1 25 25 PRO C C 13 174.739 0.003 . 1 . . . . . 25 PRO C . 27483 1 104 . 1 1 25 25 PRO CA C 13 62.655 0.000 . 1 . . . . . 25 PRO CA . 27483 1 105 . 1 1 25 25 PRO CD C 13 50.276 0.000 . 1 . . . . . 25 PRO CD . 27483 1 106 . 1 1 25 25 PRO N N 15 134.980 0.007 . 1 . . . . . 25 PRO N . 27483 1 107 . 1 1 26 26 GLU H H 1 8.303 0.001 . 1 . . . . . 26 GLU H . 27483 1 108 . 1 1 26 26 GLU C C 13 174.611 0.000 . 1 . . . . . 26 GLU C . 27483 1 109 . 1 1 26 26 GLU CA C 13 54.219 0.000 . 1 . . . . . 26 GLU CA . 27483 1 110 . 1 1 26 26 GLU CB C 13 29.558 0.000 . 1 . . . . . 26 GLU CB . 27483 1 111 . 1 1 26 26 GLU N N 15 121.994 0.000 . 1 . . . . . 26 GLU N . 27483 1 112 . 1 1 27 27 PRO C C 13 176.764 0.000 . 1 . . . . . 27 PRO C . 27483 1 113 . 1 1 27 27 PRO CA C 13 63.151 0.076 . 1 . . . . . 27 PRO CA . 27483 1 114 . 1 1 27 27 PRO CB C 13 32.041 0.000 . 1 . . . . . 27 PRO CB . 27483 1 115 . 1 1 27 27 PRO CD C 13 50.543 0.000 . 1 . . . . . 27 PRO CD . 27483 1 116 . 1 1 27 27 PRO N N 15 137.534 0.007 . 1 . . . . . 27 PRO N . 27483 1 117 . 1 1 28 28 ALA H H 1 8.382 0.001 . 1 . . . . . 28 ALA H . 27483 1 118 . 1 1 28 28 ALA C C 13 178.009 0.000 . 1 . . . . . 28 ALA C . 27483 1 119 . 1 1 28 28 ALA CA C 13 52.707 0.000 . 1 . . . . . 28 ALA CA . 27483 1 120 . 1 1 28 28 ALA CB C 13 19.320 0.000 . 1 . . . . . 28 ALA CB . 27483 1 121 . 1 1 28 28 ALA N N 15 124.535 0.000 . 1 . . . . . 28 ALA N . 27483 1 122 . 1 1 29 29 GLU H H 1 8.354 0.001 . 1 . . . . . 29 GLU H . 27483 1 123 . 1 1 29 29 GLU C C 13 176.479 0.000 . 1 . . . . . 29 GLU C . 27483 1 124 . 1 1 29 29 GLU CA C 13 56.669 0.000 . 1 . . . . . 29 GLU CA . 27483 1 125 . 1 1 29 29 GLU CB C 13 30.091 0.000 . 1 . . . . . 29 GLU CB . 27483 1 126 . 1 1 29 29 GLU N N 15 119.544 0.008 . 1 . . . . . 29 GLU N . 27483 1 127 . 1 1 30 30 SER H H 1 8.198 0.001 . 1 . . . . . 30 SER H . 27483 1 128 . 1 1 30 30 SER C C 13 174.295 0.000 . 1 . . . . . 30 SER C . 27483 1 129 . 1 1 30 30 SER CA C 13 58.407 0.000 . 1 . . . . . 30 SER CA . 27483 1 130 . 1 1 30 30 SER CB C 13 63.894 0.000 . 1 . . . . . 30 SER CB . 27483 1 131 . 1 1 30 30 SER N N 15 116.923 0.000 . 1 . . . . . 30 SER N . 27483 1 132 . 1 1 31 31 ARG H H 1 8.240 0.000 . 1 . . . . . 31 ARG H . 27483 1 133 . 1 1 31 31 ARG C C 13 176.173 0.000 . 1 . . . . . 31 ARG C . 27483 1 134 . 1 1 31 31 ARG CA C 13 56.017 0.000 . 1 . . . . . 31 ARG CA . 27483 1 135 . 1 1 31 31 ARG CB C 13 30.552 0.000 . 1 . . . . . 31 ARG CB . 27483 1 136 . 1 1 31 31 ARG N N 15 123.150 0.000 . 1 . . . . . 31 ARG N . 27483 1 137 . 1 1 32 32 ARG H H 1 8.332 0.001 . 1 . . . . . 32 ARG H . 27483 1 138 . 1 1 32 32 ARG C C 13 176.180 0.000 . 1 . . . . . 32 ARG C . 27483 1 139 . 1 1 32 32 ARG CA C 13 56.117 0.000 . 1 . . . . . 32 ARG CA . 27483 1 140 . 1 1 32 32 ARG CB C 13 30.402 0.000 . 1 . . . . . 32 ARG CB . 27483 1 141 . 1 1 32 32 ARG N N 15 122.782 0.000 . 1 . . . . . 32 ARG N . 27483 1 142 . 1 1 33 33 ASP H H 1 8.347 0.001 . 1 . . . . . 33 ASP H . 27483 1 143 . 1 1 33 33 ASP C C 13 175.919 0.000 . 1 . . . . . 33 ASP C . 27483 1 144 . 1 1 33 33 ASP CA C 13 54.451 0.000 . 1 . . . . . 33 ASP CA . 27483 1 145 . 1 1 33 33 ASP CB C 13 41.127 0.000 . 1 . . . . . 33 ASP CB . 27483 1 146 . 1 1 33 33 ASP N N 15 121.329 0.000 . 1 . . . . . 33 ASP N . 27483 1 147 . 1 1 34 34 ASP H H 1 8.244 0.001 . 1 . . . . . 34 ASP H . 27483 1 148 . 1 1 34 34 ASP C C 13 176.208 0.000 . 1 . . . . . 34 ASP C . 27483 1 149 . 1 1 34 34 ASP CA C 13 54.354 0.000 . 1 . . . . . 34 ASP CA . 27483 1 150 . 1 1 34 34 ASP CB C 13 40.850 0.000 . 1 . . . . . 34 ASP CB . 27483 1 151 . 1 1 34 34 ASP N N 15 119.935 0.008 . 1 . . . . . 34 ASP N . 27483 1 152 . 1 1 35 35 LEU H H 1 8.009 0.001 . 1 . . . . . 35 LEU H . 27483 1 153 . 1 1 35 35 LEU C C 13 177.655 0.000 . 1 . . . . . 35 LEU C . 27483 1 154 . 1 1 35 35 LEU CA C 13 55.404 0.000 . 1 . . . . . 35 LEU CA . 27483 1 155 . 1 1 35 35 LEU CB C 13 42.341 0.000 . 1 . . . . . 35 LEU CB . 27483 1 156 . 1 1 35 35 LEU N N 15 121.472 0.000 . 1 . . . . . 35 LEU N . 27483 1 157 . 1 1 36 36 GLU H H 1 8.257 0.001 . 1 . . . . . 36 GLU H . 27483 1 158 . 1 1 36 36 GLU C C 13 176.592 0.000 . 1 . . . . . 36 GLU C . 27483 1 159 . 1 1 36 36 GLU CA C 13 56.635 0.000 . 1 . . . . . 36 GLU CA . 27483 1 160 . 1 1 36 36 GLU CB C 13 29.969 0.000 . 1 . . . . . 36 GLU CB . 27483 1 161 . 1 1 36 36 GLU N N 15 120.990 0.000 . 1 . . . . . 36 GLU N . 27483 1 162 . 1 1 37 37 SER H H 1 8.143 0.001 . 1 . . . . . 37 SER H . 27483 1 163 . 1 1 37 37 SER C C 13 174.369 0.000 . 1 . . . . . 37 SER C . 27483 1 164 . 1 1 37 37 SER CA C 13 58.406 0.000 . 1 . . . . . 37 SER CA . 27483 1 165 . 1 1 37 37 SER CB C 13 64.100 0.000 . 1 . . . . . 37 SER CB . 27483 1 166 . 1 1 37 37 SER N N 15 116.318 0.000 . 1 . . . . . 37 SER N . 27483 1 167 . 1 1 38 38 ASP H H 1 8.313 0.001 . 1 . . . . . 38 ASP H . 27483 1 168 . 1 1 38 38 ASP C C 13 176.459 0.000 . 1 . . . . . 38 ASP C . 27483 1 169 . 1 1 38 38 ASP CA C 13 54.387 0.000 . 1 . . . . . 38 ASP CA . 27483 1 170 . 1 1 38 38 ASP CB C 13 41.079 0.000 . 1 . . . . . 38 ASP CB . 27483 1 171 . 1 1 38 38 ASP N N 15 122.468 0.000 . 1 . . . . . 38 ASP N . 27483 1 172 . 1 1 39 39 SER H H 1 8.194 0.001 . 1 . . . . . 39 SER H . 27483 1 173 . 1 1 39 39 SER C C 13 174.639 0.000 . 1 . . . . . 39 SER C . 27483 1 174 . 1 1 39 39 SER CA C 13 58.594 0.000 . 1 . . . . . 39 SER CA . 27483 1 175 . 1 1 39 39 SER CB C 13 63.878 0.000 . 1 . . . . . 39 SER CB . 27483 1 176 . 1 1 39 39 SER N N 15 116.010 0.006 . 1 . . . . . 39 SER N . 27483 1 177 . 1 1 40 40 ASN H H 1 8.410 0.002 . 1 . . . . . 40 ASN H . 27483 1 178 . 1 1 40 40 ASN C C 13 175.753 0.000 . 1 . . . . . 40 ASN C . 27483 1 179 . 1 1 40 40 ASN CA C 13 53.470 0.000 . 1 . . . . . 40 ASN CA . 27483 1 180 . 1 1 40 40 ASN CB C 13 38.950 0.000 . 1 . . . . . 40 ASN CB . 27483 1 181 . 1 1 40 40 ASN N N 15 120.631 0.003 . 1 . . . . . 40 ASN N . 27483 1 182 . 1 1 41 41 GLY H H 1 8.243 0.001 . 1 . . . . . 41 GLY H . 27483 1 183 . 1 1 41 41 GLY C C 13 174.185 0.000 . 1 . . . . . 41 GLY C . 27483 1 184 . 1 1 41 41 GLY CA C 13 45.589 0.000 . 1 . . . . . 41 GLY CA . 27483 1 185 . 1 1 41 41 GLY N N 15 108.941 0.000 . 1 . . . . . 41 GLY N . 27483 1 186 . 1 1 42 42 GLU H H 1 8.211 0.001 . 1 . . . . . 42 GLU H . 27483 1 187 . 1 1 42 42 GLU C C 13 176.504 0.000 . 1 . . . . . 42 GLU C . 27483 1 188 . 1 1 42 42 GLU CA C 13 56.638 0.000 . 1 . . . . . 42 GLU CA . 27483 1 189 . 1 1 42 42 GLU CB C 13 30.111 0.000 . 1 . . . . . 42 GLU CB . 27483 1 190 . 1 1 42 42 GLU N N 15 120.526 0.000 . 1 . . . . . 42 GLU N . 27483 1 191 . 1 1 43 43 CYS H H 1 8.396 0.001 . 1 . . . . . 43 CYS H . 27483 1 192 . 1 1 43 43 CYS C C 13 174.577 0.000 . 1 . . . . . 43 CYS C . 27483 1 193 . 1 1 43 43 CYS CA C 13 58.431 0.000 . 1 . . . . . 43 CYS CA . 27483 1 194 . 1 1 43 43 CYS CB C 13 27.865 0.000 . 1 . . . . . 43 CYS CB . 27483 1 195 . 1 1 43 43 CYS N N 15 120.303 0.000 . 1 . . . . . 43 CYS N . 27483 1 196 . 1 1 44 44 SER H H 1 8.423 0.000 . 1 . . . . . 44 SER H . 27483 1 197 . 1 1 44 44 SER C C 13 174.511 0.000 . 1 . . . . . 44 SER C . 27483 1 198 . 1 1 44 44 SER CA C 13 58.297 0.000 . 1 . . . . . 44 SER CA . 27483 1 199 . 1 1 44 44 SER CB C 13 64.033 0.000 . 1 . . . . . 44 SER CB . 27483 1 200 . 1 1 44 44 SER N N 15 118.738 0.000 . 1 . . . . . 44 SER N . 27483 1 201 . 1 1 45 45 SER H H 1 8.355 0.001 . 1 . . . . . 45 SER H . 27483 1 202 . 1 1 45 45 SER C C 13 174.487 0.000 . 1 . . . . . 45 SER C . 27483 1 203 . 1 1 45 45 SER CA C 13 58.310 0.000 . 1 . . . . . 45 SER CA . 27483 1 204 . 1 1 45 45 SER CB C 13 63.988 0.000 . 1 . . . . . 45 SER CB . 27483 1 205 . 1 1 45 45 SER N N 15 118.066 0.000 . 1 . . . . . 45 SER N . 27483 1 206 . 1 1 46 46 SER H H 1 8.360 0.001 . 1 . . . . . 46 SER H . 27483 1 207 . 1 1 46 46 SER C C 13 174.373 0.000 . 1 . . . . . 46 SER C . 27483 1 208 . 1 1 46 46 SER CA C 13 58.298 0.000 . 1 . . . . . 46 SER CA . 27483 1 209 . 1 1 46 46 SER CB C 13 63.923 0.000 . 1 . . . . . 46 SER CB . 27483 1 210 . 1 1 46 46 SER N N 15 117.827 0.006 . 1 . . . . . 46 SER N . 27483 1 211 . 1 1 47 47 ASP H H 1 8.286 0.003 . 1 . . . . . 47 ASP H . 27483 1 212 . 1 1 47 47 ASP C C 13 176.379 0.000 . 1 . . . . . 47 ASP C . 27483 1 213 . 1 1 47 47 ASP CA C 13 54.728 0.000 . 1 . . . . . 47 ASP CA . 27483 1 214 . 1 1 47 47 ASP N N 15 122.302 0.039 . 1 . . . . . 47 ASP N . 27483 1 215 . 1 1 48 48 GLU H H 1 8.202 0.001 . 1 . . . . . 48 GLU H . 27483 1 216 . 1 1 48 48 GLU C C 13 176.230 0.000 . 1 . . . . . 48 GLU C . 27483 1 217 . 1 1 48 48 GLU CA C 13 56.805 0.000 . 1 . . . . . 48 GLU CA . 27483 1 218 . 1 1 48 48 GLU CB C 13 30.363 0.000 . 1 . . . . . 48 GLU CB . 27483 1 219 . 1 1 48 48 GLU N N 15 120.472 0.000 . 1 . . . . . 48 GLU N . 27483 1 220 . 1 1 49 49 ASP H H 1 8.226 0.001 . 1 . . . . . 49 ASP H . 27483 1 221 . 1 1 49 49 ASP C C 13 176.130 0.000 . 1 . . . . . 49 ASP C . 27483 1 222 . 1 1 49 49 ASP CA C 13 54.450 0.000 . 1 . . . . . 49 ASP CA . 27483 1 223 . 1 1 49 49 ASP CB C 13 40.994 0.000 . 1 . . . . . 49 ASP CB . 27483 1 224 . 1 1 49 49 ASP N N 15 120.899 0.000 . 1 . . . . . 49 ASP N . 27483 1 225 . 1 1 50 50 MET H H 1 8.096 0.001 . 1 . . . . . 50 MET H . 27483 1 226 . 1 1 50 50 MET C C 13 176.039 0.000 . 1 . . . . . 50 MET C . 27483 1 227 . 1 1 50 50 MET CA C 13 55.384 0.000 . 1 . . . . . 50 MET CA . 27483 1 228 . 1 1 50 50 MET CB C 13 33.018 0.000 . 1 . . . . . 50 MET CB . 27483 1 229 . 1 1 50 50 MET N N 15 120.484 0.006 . 1 . . . . . 50 MET N . 27483 1 230 . 1 1 51 51 GLU H H 1 8.254 0.000 . 1 . . . . . 51 GLU H . 27483 1 231 . 1 1 51 51 GLU C C 13 175.862 0.000 . 1 . . . . . 51 GLU C . 27483 1 232 . 1 1 51 51 GLU CA C 13 56.288 0.000 . 1 . . . . . 51 GLU CA . 27483 1 233 . 1 1 51 51 GLU CB C 13 30.299 0.000 . 1 . . . . . 51 GLU CB . 27483 1 234 . 1 1 51 51 GLU N N 15 121.856 0.000 . 1 . . . . . 51 GLU N . 27483 1 235 . 1 1 52 52 ASP H H 1 8.333 0.000 . 1 . . . . . 52 ASP H . 27483 1 236 . 1 1 52 52 ASP C C 13 174.500 0.000 . 1 . . . . . 52 ASP C . 27483 1 237 . 1 1 52 52 ASP CA C 13 52.210 0.000 . 1 . . . . . 52 ASP CA . 27483 1 238 . 1 1 52 52 ASP CB C 13 41.001 0.000 . 1 . . . . . 52 ASP CB . 27483 1 239 . 1 1 52 52 ASP N N 15 122.843 0.013 . 1 . . . . . 52 ASP N . 27483 1 240 . 1 1 53 53 PRO C C 13 177.044 0.000 . 1 . . . . . 53 PRO C . 27483 1 241 . 1 1 53 53 PRO CA C 13 63.574 0.000 . 1 . . . . . 53 PRO CA . 27483 1 242 . 1 1 53 53 PRO CB C 13 32.037 0.000 . 1 . . . . . 53 PRO CB . 27483 1 243 . 1 1 54 54 HIS H H 1 8.532 0.001 . 1 . . . . . 54 HIS H . 27483 1 244 . 1 1 54 54 HIS C C 13 175.160 0.000 . 1 . . . . . 54 HIS C . 27483 1 245 . 1 1 54 54 HIS CA C 13 55.473 0.000 . 1 . . . . . 54 HIS CA . 27483 1 246 . 1 1 54 54 HIS CB C 13 28.872 0.000 . 1 . . . . . 54 HIS CB . 27483 1 247 . 1 1 54 54 HIS N N 15 118.234 0.000 . 1 . . . . . 54 HIS N . 27483 1 248 . 1 1 55 55 GLY H H 1 8.209 0.001 . 1 . . . . . 55 GLY H . 27483 1 249 . 1 1 55 55 GLY C C 13 174.167 0.000 . 1 . . . . . 55 GLY C . 27483 1 250 . 1 1 55 55 GLY CA C 13 45.440 0.000 . 1 . . . . . 55 GLY CA . 27483 1 251 . 1 1 55 55 GLY N N 15 109.514 0.008 . 1 . . . . . 55 GLY N . 27483 1 252 . 1 1 56 56 GLU H H 1 8.383 0.001 . 1 . . . . . 56 GLU H . 27483 1 253 . 1 1 56 56 GLU C C 13 176.256 0.000 . 1 . . . . . 56 GLU C . 27483 1 254 . 1 1 56 56 GLU CA C 13 56.509 0.000 . 1 . . . . . 56 GLU CA . 27483 1 255 . 1 1 56 56 GLU CB C 13 30.126 0.000 . 1 . . . . . 56 GLU CB . 27483 1 256 . 1 1 56 56 GLU N N 15 120.468 0.000 . 1 . . . . . 56 GLU N . 27483 1 257 . 1 1 57 57 ASP H H 1 8.325 0.001 . 1 . . . . . 57 ASP H . 27483 1 258 . 1 1 57 57 ASP C C 13 176.283 0.000 . 1 . . . . . 57 ASP C . 27483 1 259 . 1 1 57 57 ASP CA C 13 54.343 0.000 . 1 . . . . . 57 ASP CA . 27483 1 260 . 1 1 57 57 ASP CB C 13 41.298 0.000 . 1 . . . . . 57 ASP CB . 27483 1 261 . 1 1 57 57 ASP N N 15 121.051 0.022 . 1 . . . . . 57 ASP N . 27483 1 262 . 1 1 58 58 GLY H H 1 8.049 0.000 . 1 . . . . . 58 GLY H . 27483 1 263 . 1 1 58 58 GLY C C 13 171.580 0.002 . 1 . . . . . 58 GLY C . 27483 1 264 . 1 1 58 58 GLY CA C 13 44.605 0.000 . 1 . . . . . 58 GLY CA . 27483 1 265 . 1 1 58 58 GLY N N 15 108.860 0.000 . 1 . . . . . 58 GLY N . 27483 1 266 . 1 1 59 59 PRO C C 13 171.583 0.000 . 1 . . . . . 59 PRO C . 27483 1 267 . 1 1 59 59 PRO CA C 13 62.931 0.000 . 1 . . . . . 59 PRO CA . 27483 1 268 . 1 1 59 59 PRO CD C 13 49.622 0.000 . 1 . . . . . 59 PRO CD . 27483 1 269 . 1 1 59 59 PRO N N 15 133.657 0.040 . 1 . . . . . 59 PRO N . 27483 1 270 . 1 1 60 60 GLU H H 1 8.359 0.001 . 1 . . . . . 60 GLU H . 27483 1 271 . 1 1 60 60 GLU C C 13 173.797 0.000 . 1 . . . . . 60 GLU C . 27483 1 272 . 1 1 60 60 GLU CA C 13 53.440 0.000 . 1 . . . . . 60 GLU CA . 27483 1 273 . 1 1 60 60 GLU CB C 13 28.925 0.000 . 1 . . . . . 60 GLU CB . 27483 1 274 . 1 1 60 60 GLU N N 15 121.352 0.017 . 1 . . . . . 60 GLU N . 27483 1 275 . 1 1 61 61 PRO C C 13 175.184 1.387 . 1 . . . . . 61 PRO C . 27483 1 276 . 1 1 61 61 PRO CA C 13 62.897 0.000 . 1 . . . . . 61 PRO CA . 27483 1 277 . 1 1 61 61 PRO CD C 13 50.394 0.000 . 1 . . . . . 61 PRO CD . 27483 1 278 . 1 1 61 61 PRO N N 15 137.032 0.000 . 1 . . . . . 61 PRO N . 27483 1 279 . 1 1 62 62 ILE H H 1 8.162 0.000 . 1 . . . . . 62 ILE H . 27483 1 280 . 1 1 62 62 ILE C C 13 176.266 0.000 . 1 . . . . . 62 ILE C . 27483 1 281 . 1 1 62 62 ILE CA C 13 61.045 0.000 . 1 . . . . . 62 ILE CA . 27483 1 282 . 1 1 62 62 ILE CB C 13 38.448 0.000 . 1 . . . . . 62 ILE CB . 27483 1 283 . 1 1 62 62 ILE N N 15 121.412 0.000 . 1 . . . . . 62 ILE N . 27483 1 284 . 1 1 63 63 LEU H H 1 8.259 0.001 . 1 . . . . . 63 LEU H . 27483 1 285 . 1 1 63 63 LEU C C 13 176.897 0.000 . 1 . . . . . 63 LEU C . 27483 1 286 . 1 1 63 63 LEU CA C 13 55.023 0.000 . 1 . . . . . 63 LEU CA . 27483 1 287 . 1 1 63 63 LEU CB C 13 42.348 0.000 . 1 . . . . . 63 LEU CB . 27483 1 288 . 1 1 63 63 LEU N N 15 126.757 0.010 . 1 . . . . . 63 LEU N . 27483 1 289 . 1 1 64 64 ASP H H 1 8.206 0.000 . 1 . . . . . 64 ASP H . 27483 1 290 . 1 1 64 64 ASP C C 13 176.018 0.000 . 1 . . . . . 64 ASP C . 27483 1 291 . 1 1 64 64 ASP CA C 13 54.325 0.000 . 1 . . . . . 64 ASP CA . 27483 1 292 . 1 1 64 64 ASP CB C 13 41.112 0.000 . 1 . . . . . 64 ASP CB . 27483 1 293 . 1 1 64 64 ASP N N 15 121.554 0.000 . 1 . . . . . 64 ASP N . 27483 1 294 . 1 1 65 65 ALA H H 1 8.099 0.000 . 1 . . . . . 65 ALA H . 27483 1 295 . 1 1 65 65 ALA C C 13 176.025 0.000 . 1 . . . . . 65 ALA C . 27483 1 296 . 1 1 65 65 ALA CA C 13 52.649 0.000 . 1 . . . . . 65 ALA CA . 27483 1 297 . 1 1 65 65 ALA CB C 13 19.043 0.000 . 1 . . . . . 65 ALA CB . 27483 1 298 . 1 1 65 65 ALA N N 15 124.292 0.006 . 1 . . . . . 65 ALA N . 27483 1 299 . 1 1 66 66 ALA H H 1 8.105 0.000 . 1 . . . . . 66 ALA H . 27483 1 300 . 1 1 66 66 ALA C C 13 177.336 0.000 . 1 . . . . . 66 ALA C . 27483 1 301 . 1 1 66 66 ALA CA C 13 52.320 0.102 . 1 . . . . . 66 ALA CA . 27483 1 302 . 1 1 66 66 ALA CB C 13 18.970 0.128 . 1 . . . . . 66 ALA CB . 27483 1 303 . 1 1 66 66 ALA N N 15 121.979 0.000 . 1 . . . . . 66 ALA N . 27483 1 304 . 1 1 67 67 ARG H H 1 7.963 0.001 . 1 . . . . . 67 ARG H . 27483 1 305 . 1 1 67 67 ARG C C 13 173.949 0.000 . 1 . . . . . 67 ARG C . 27483 1 306 . 1 1 67 67 ARG CA C 13 53.832 0.000 . 1 . . . . . 67 ARG CA . 27483 1 307 . 1 1 67 67 ARG CB C 13 30.092 0.000 . 1 . . . . . 67 ARG CB . 27483 1 308 . 1 1 67 67 ARG N N 15 120.960 0.000 . 1 . . . . . 67 ARG N . 27483 1 309 . 1 1 68 68 PRO C C 13 176.469 0.000 . 1 . . . . . 68 PRO C . 27483 1 310 . 1 1 68 68 PRO CA C 13 63.037 0.000 . 1 . . . . . 68 PRO CA . 27483 1 311 . 1 1 68 68 PRO CD C 13 50.495 0.000 . 1 . . . . . 68 PRO CD . 27483 1 312 . 1 1 68 68 PRO N N 15 136.769 0.000 . 1 . . . . . 68 PRO N . 27483 1 313 . 1 1 69 69 ALA H H 1 8.303 0.001 . 1 . . . . . 69 ALA H . 27483 1 314 . 1 1 69 69 ALA C C 13 177.591 0.000 . 1 . . . . . 69 ALA C . 27483 1 315 . 1 1 69 69 ALA CA C 13 52.301 0.000 . 1 . . . . . 69 ALA CA . 27483 1 316 . 1 1 69 69 ALA N N 15 124.412 0.000 . 1 . . . . . 69 ALA N . 27483 1 317 . 1 1 70 70 VAL H H 1 8.009 0.000 . 1 . . . . . 70 VAL H . 27483 1 318 . 1 1 70 70 VAL C C 13 175.766 0.000 . 1 . . . . . 70 VAL C . 27483 1 319 . 1 1 70 70 VAL CA C 13 61.951 0.000 . 1 . . . . . 70 VAL CA . 27483 1 320 . 1 1 70 70 VAL CB C 13 32.731 0.000 . 1 . . . . . 70 VAL CB . 27483 1 321 . 1 1 70 70 VAL N N 15 119.604 0.000 . 1 . . . . . 70 VAL N . 27483 1 322 . 1 1 71 71 ARG H H 1 8.349 0.000 . 1 . . . . . 71 ARG H . 27483 1 323 . 1 1 71 71 ARG C C 13 173.977 0.000 . 1 . . . . . 71 ARG C . 27483 1 324 . 1 1 71 71 ARG CA C 13 53.717 0.000 . 1 . . . . . 71 ARG CA . 27483 1 325 . 1 1 71 71 ARG CB C 13 30.140 0.000 . 1 . . . . . 71 ARG CB . 27483 1 326 . 1 1 71 71 ARG N N 15 126.285 0.012 . 1 . . . . . 71 ARG N . 27483 1 327 . 1 1 72 72 PRO C C 13 176.762 0.000 . 1 . . . . . 72 PRO C . 27483 1 328 . 1 1 72 72 PRO CA C 13 62.965 0.000 . 1 . . . . . 72 PRO CA . 27483 1 329 . 1 1 72 72 PRO CD C 13 50.525 0.000 . 1 . . . . . 72 PRO CD . 27483 1 330 . 1 1 72 72 PRO N N 15 137.008 0.025 . 1 . . . . . 72 PRO N . 27483 1 331 . 1 1 73 73 SER H H 1 8.370 0.001 . 1 . . . . . 73 SER H . 27483 1 332 . 1 1 73 73 SER C C 13 174.029 0.000 . 1 . . . . . 73 SER C . 27483 1 333 . 1 1 73 73 SER CA C 13 58.336 0.000 . 1 . . . . . 73 SER CA . 27483 1 334 . 1 1 73 73 SER CB C 13 64.072 0.000 . 1 . . . . . 73 SER CB . 27483 1 335 . 1 1 73 73 SER N N 15 116.748 0.000 . 1 . . . . . 73 SER N . 27483 1 336 . 1 1 74 74 ARG H H 1 8.259 0.001 . 1 . . . . . 74 ARG H . 27483 1 337 . 1 1 74 74 ARG C C 13 174.208 0.000 . 1 . . . . . 74 ARG C . 27483 1 338 . 1 1 74 74 ARG CA C 13 53.886 0.000 . 1 . . . . . 74 ARG CA . 27483 1 339 . 1 1 74 74 ARG CB C 13 30.164 0.000 . 1 . . . . . 74 ARG CB . 27483 1 340 . 1 1 74 74 ARG N N 15 123.388 0.000 . 1 . . . . . 74 ARG N . 27483 1 341 . 1 1 75 75 PRO C C 13 176.803 0.000 . 1 . . . . . 75 PRO C . 27483 1 342 . 1 1 75 75 PRO CA C 13 63.364 0.000 . 1 . . . . . 75 PRO CA . 27483 1 343 . 1 1 75 75 PRO CD C 13 50.477 0.000 . 1 . . . . . 75 PRO CD . 27483 1 344 . 1 1 75 75 PRO N N 15 136.980 0.000 . 1 . . . . . 75 PRO N . 27483 1 345 . 1 1 76 76 GLU H H 1 8.507 0.001 . 1 . . . . . 76 GLU H . 27483 1 346 . 1 1 76 76 GLU C C 13 175.974 0.000 . 1 . . . . . 76 GLU C . 27483 1 347 . 1 1 76 76 GLU CA C 13 56.454 0.000 . 1 . . . . . 76 GLU CA . 27483 1 348 . 1 1 76 76 GLU CB C 13 29.891 0.000 . 1 . . . . . 76 GLU CB . 27483 1 349 . 1 1 76 76 GLU N N 15 120.034 0.000 . 1 . . . . . 76 GLU N . 27483 1 350 . 1 1 77 77 ASP H H 1 8.186 0.001 . 1 . . . . . 77 ASP H . 27483 1 351 . 1 1 77 77 ASP C C 13 174.616 0.000 . 1 . . . . . 77 ASP C . 27483 1 352 . 1 1 77 77 ASP CA C 13 52.167 0.000 . 1 . . . . . 77 ASP CA . 27483 1 353 . 1 1 77 77 ASP CB C 13 41.106 0.000 . 1 . . . . . 77 ASP CB . 27483 1 354 . 1 1 77 77 ASP N N 15 122.882 0.005 . 1 . . . . . 77 ASP N . 27483 1 355 . 1 1 78 78 PRO C C 13 177.477 0.004 . 1 . . . . . 78 PRO C . 27483 1 356 . 1 1 78 78 PRO CA C 13 63.493 0.000 . 1 . . . . . 78 PRO CA . 27483 1 357 . 1 1 78 78 PRO CD C 13 50.522 0.000 . 1 . . . . . 78 PRO CD . 27483 1 358 . 1 1 78 78 PRO N N 15 136.380 0.000 . 1 . . . . . 78 PRO N . 27483 1 359 . 1 1 79 79 GLY H H 1 8.410 0.001 . 1 . . . . . 79 GLY H . 27483 1 360 . 1 1 79 79 GLY C C 13 177.481 0.000 . 1 . . . . . 79 GLY C . 27483 1 361 . 1 1 79 79 GLY CA C 13 45.102 0.000 . 1 . . . . . 79 GLY CA . 27483 1 362 . 1 1 79 79 GLY N N 15 108.550 0.011 . 1 . . . . . 79 GLY N . 27483 1 363 . 1 1 80 80 VAL H H 1 7.776 0.000 . 1 . . . . . 80 VAL H . 27483 1 364 . 1 1 80 80 VAL C C 13 174.451 0.000 . 1 . . . . . 80 VAL C . 27483 1 365 . 1 1 80 80 VAL CA C 13 59.692 0.000 . 1 . . . . . 80 VAL CA . 27483 1 366 . 1 1 80 80 VAL N N 15 120.453 0.000 . 1 . . . . . 80 VAL N . 27483 1 367 . 1 1 81 81 PRO C C 13 177.058 0.000 . 1 . . . . . 81 PRO C . 27483 1 368 . 1 1 81 81 PRO CA C 13 63.232 0.000 . 1 . . . . . 81 PRO CA . 27483 1 369 . 1 1 81 81 PRO CD C 13 50.870 0.000 . 1 . . . . . 81 PRO CD . 27483 1 370 . 1 1 81 81 PRO N N 15 139.440 0.000 . 1 . . . . . 81 PRO N . 27483 1 371 . 1 1 82 82 SER H H 1 8.411 0.001 . 1 . . . . . 82 SER H . 27483 1 372 . 1 1 82 82 SER C C 13 175.062 0.000 . 1 . . . . . 82 SER C . 27483 1 373 . 1 1 82 82 SER CA C 13 58.434 0.000 . 1 . . . . . 82 SER CA . 27483 1 374 . 1 1 82 82 SER N N 15 116.254 0.000 . 1 . . . . . 82 SER N . 27483 1 375 . 1 1 83 83 THR H H 1 8.077 0.001 . 1 . . . . . 83 THR H . 27483 1 376 . 1 1 83 83 THR C C 13 174.454 0.000 . 1 . . . . . 83 THR C . 27483 1 377 . 1 1 83 83 THR CA C 13 61.884 0.000 . 1 . . . . . 83 THR CA . 27483 1 378 . 1 1 83 83 THR CB C 13 69.708 0.000 . 1 . . . . . 83 THR CB . 27483 1 379 . 1 1 83 83 THR N N 15 115.298 0.009 . 1 . . . . . 83 THR N . 27483 1 380 . 1 1 84 84 GLN H H 1 8.259 0.001 . 1 . . . . . 84 GLN H . 27483 1 381 . 1 1 84 84 GLN C C 13 175.686 0.000 . 1 . . . . . 84 GLN C . 27483 1 382 . 1 1 84 84 GLN CA C 13 55.696 0.000 . 1 . . . . . 84 GLN CA . 27483 1 383 . 1 1 84 84 GLN CB C 13 29.274 0.000 . 1 . . . . . 84 GLN CB . 27483 1 384 . 1 1 84 84 GLN N N 15 122.300 0.000 . 1 . . . . . 84 GLN N . 27483 1 385 . 1 1 85 85 THR H H 1 8.134 0.000 . 1 . . . . . 85 THR H . 27483 1 386 . 1 1 85 85 THR C C 13 172.611 0.000 . 1 . . . . . 85 THR C . 27483 1 387 . 1 1 85 85 THR CA C 13 59.941 0.000 . 1 . . . . . 85 THR CA . 27483 1 388 . 1 1 85 85 THR CB C 13 69.724 0.000 . 1 . . . . . 85 THR CB . 27483 1 389 . 1 1 85 85 THR N N 15 118.503 0.000 . 1 . . . . . 85 THR N . 27483 1 390 . 1 1 86 86 PRO CA C 13 63.071 0.000 . 1 . . . . . 86 PRO CA . 27483 1 391 . 1 1 86 86 PRO CD C 13 50.956 0.000 . 1 . . . . . 86 PRO CD . 27483 1 392 . 1 1 86 86 PRO N N 15 139.097 0.015 . 1 . . . . . 86 PRO N . 27483 1 393 . 1 1 87 87 ARG H H 1 8.382 0.001 . 1 . . . . . 87 ARG H . 27483 1 394 . 1 1 87 87 ARG C C 13 174.524 0.000 . 1 . . . . . 87 ARG C . 27483 1 395 . 1 1 87 87 ARG CA C 13 53.904 0.000 . 1 . . . . . 87 ARG CA . 27483 1 396 . 1 1 87 87 ARG CB C 13 30.045 0.000 . 1 . . . . . 87 ARG CB . 27483 1 397 . 1 1 87 87 ARG N N 15 122.638 0.000 . 1 . . . . . 87 ARG N . 27483 1 398 . 1 1 88 88 PRO C C 13 177.084 0.000 . 1 . . . . . 88 PRO C . 27483 1 399 . 1 1 88 88 PRO CA C 13 63.279 0.000 . 1 . . . . . 88 PRO CA . 27483 1 400 . 1 1 88 88 PRO CD C 13 50.555 0.000 . 1 . . . . . 88 PRO CD . 27483 1 401 . 1 1 88 88 PRO N N 15 137.035 0.004 . 1 . . . . . 88 PRO N . 27483 1 402 . 1 1 89 89 THR H H 1 8.104 0.001 . 1 . . . . . 89 THR H . 27483 1 403 . 1 1 89 89 THR C C 13 174.605 0.000 . 1 . . . . . 89 THR C . 27483 1 404 . 1 1 89 89 THR CA C 13 62.080 0.000 . 1 . . . . . 89 THR CA . 27483 1 405 . 1 1 89 89 THR CB C 13 69.769 0.000 . 1 . . . . . 89 THR CB . 27483 1 406 . 1 1 89 89 THR N N 15 113.923 0.000 . 1 . . . . . 89 THR N . 27483 1 407 . 1 1 90 90 GLU H H 1 8.295 0.001 . 1 . . . . . 90 GLU H . 27483 1 408 . 1 1 90 90 GLU C C 13 176.138 0.000 . 1 . . . . . 90 GLU C . 27483 1 409 . 1 1 90 90 GLU CA C 13 56.451 0.000 . 1 . . . . . 90 GLU CA . 27483 1 410 . 1 1 90 90 GLU CB C 13 30.238 0.000 . 1 . . . . . 90 GLU CB . 27483 1 411 . 1 1 90 90 GLU N N 15 123.157 0.000 . 1 . . . . . 90 GLU N . 27483 1 412 . 1 1 91 91 ARG H H 1 8.278 0.001 . 1 . . . . . 91 ARG H . 27483 1 413 . 1 1 91 91 ARG C C 13 175.946 0.000 . 1 . . . . . 91 ARG C . 27483 1 414 . 1 1 91 91 ARG CA C 13 56.104 0.000 . 1 . . . . . 91 ARG CA . 27483 1 415 . 1 1 91 91 ARG CB C 13 30.577 0.000 . 1 . . . . . 91 ARG CB . 27483 1 416 . 1 1 91 91 ARG N N 15 122.073 0.000 . 1 . . . . . 91 ARG N . 27483 1 417 . 1 1 92 92 GLN H H 1 8.431 0.001 . 1 . . . . . 92 GLN H . 27483 1 418 . 1 1 92 92 GLN C C 13 175.957 0.000 . 1 . . . . . 92 GLN C . 27483 1 419 . 1 1 92 92 GLN CA C 13 55.667 0.000 . 1 . . . . . 92 GLN CA . 27483 1 420 . 1 1 92 92 GLN CB C 13 29.621 0.000 . 1 . . . . . 92 GLN CB . 27483 1 421 . 1 1 92 92 GLN N N 15 122.095 0.000 . 1 . . . . . 92 GLN N . 27483 1 422 . 1 1 93 93 GLY H H 1 8.406 0.000 . 1 . . . . . 93 GLY H . 27483 1 423 . 1 1 93 93 GLY C C 13 172.160 0.000 . 1 . . . . . 93 GLY C . 27483 1 424 . 1 1 93 93 GLY CA C 13 44.558 0.000 . 1 . . . . . 93 GLY CA . 27483 1 425 . 1 1 93 93 GLY N N 15 111.008 0.000 . 1 . . . . . 93 GLY N . 27483 1 426 . 1 1 94 94 PRO C C 13 176.924 0.000 . 1 . . . . . 94 PRO C . 27483 1 427 . 1 1 94 94 PRO CA C 13 63.506 0.000 . 1 . . . . . 94 PRO CA . 27483 1 428 . 1 1 94 94 PRO CD C 13 49.605 0.000 . 1 . . . . . 94 PRO CD . 27483 1 429 . 1 1 94 94 PRO N N 15 133.569 0.025 . 1 . . . . . 94 PRO N . 27483 1 430 . 1 1 95 95 ASN H H 1 8.454 0.001 . 1 . . . . . 95 ASN H . 27483 1 431 . 1 1 95 95 ASN C C 13 174.539 0.000 . 1 . . . . . 95 ASN C . 27483 1 432 . 1 1 95 95 ASN CA C 13 52.944 0.000 . 1 . . . . . 95 ASN CA . 27483 1 433 . 1 1 95 95 ASN CB C 13 39.013 0.000 . 1 . . . . . 95 ASN CB . 27483 1 434 . 1 1 95 95 ASN N N 15 117.797 0.000 . 1 . . . . . 95 ASN N . 27483 1 435 . 1 1 96 96 ASP H H 1 7.924 0.000 . 1 . . . . . 96 ASP H . 27483 1 436 . 1 1 96 96 ASP C C 13 174.053 0.000 . 1 . . . . . 96 ASP C . 27483 1 437 . 1 1 96 96 ASP CA C 13 52.712 0.000 . 1 . . . . . 96 ASP CA . 27483 1 438 . 1 1 96 96 ASP CB C 13 40.604 0.000 . 1 . . . . . 96 ASP CB . 27483 1 439 . 1 1 96 96 ASP N N 15 121.982 0.003 . 1 . . . . . 96 ASP N . 27483 1 440 . 1 1 97 97 PRO CA C 13 63.038 0.000 . 1 . . . . . 97 PRO CA . 27483 1 441 . 1 1 97 97 PRO CD C 13 50.350 0.000 . 1 . . . . . 97 PRO CD . 27483 1 442 . 1 1 97 97 PRO N N 15 136.104 0.029 . 1 . . . . . 97 PRO N . 27483 1 443 . 1 1 98 98 GLN H H 1 8.352 0.001 . 1 . . . . . 98 GLN H . 27483 1 444 . 1 1 98 98 GLN C C 13 174.544 0.000 . 1 . . . . . 98 GLN C . 27483 1 445 . 1 1 98 98 GLN CA C 13 54.470 0.000 . 1 . . . . . 98 GLN CA . 27483 1 446 . 1 1 98 98 GLN CB C 13 29.531 0.000 . 1 . . . . . 98 GLN CB . 27483 1 447 . 1 1 98 98 GLN N N 15 122.358 0.000 . 1 . . . . . 98 GLN N . 27483 1 448 . 1 1 99 99 PRO C C 13 176.181 0.000 . 1 . . . . . 99 PRO C . 27483 1 449 . 1 1 99 99 PRO CA C 13 63.087 0.000 . 1 . . . . . 99 PRO CA . 27483 1 450 . 1 1 99 99 PRO CD C 13 50.486 0.000 . 1 . . . . . 99 PRO CD . 27483 1 451 . 1 1 99 99 PRO N N 15 137.240 0.000 . 1 . . . . . 99 PRO N . 27483 1 452 . 1 1 100 100 ALA H H 1 8.320 0.000 . 1 . . . . . 100 ALA H . 27483 1 453 . 1 1 100 100 ALA C C 13 175.712 0.000 . 1 . . . . . 100 ALA C . 27483 1 454 . 1 1 100 100 ALA CA C 13 50.297 0.000 . 1 . . . . . 100 ALA CA . 27483 1 455 . 1 1 100 100 ALA CB C 13 17.885 0.000 . 1 . . . . . 100 ALA CB . 27483 1 456 . 1 1 100 100 ALA N N 15 125.551 0.000 . 1 . . . . . 100 ALA N . 27483 1 457 . 1 1 101 101 PRO CA C 13 63.159 0.000 . 1 . . . . . 101 PRO CA . 27483 1 458 . 1 1 101 101 PRO N N 15 135.279 0.000 . 1 . . . . . 101 PRO N . 27483 1 459 . 1 1 102 102 HIS H H 1 8.344 0.002 . 1 . . . . . 102 HIS H . 27483 1 460 . 1 1 102 102 HIS C C 13 175.009 0.000 . 1 . . . . . 102 HIS C . 27483 1 461 . 1 1 102 102 HIS CA C 13 55.936 0.000 . 1 . . . . . 102 HIS CA . 27483 1 462 . 1 1 102 102 HIS CB C 13 29.471 0.000 . 1 . . . . . 102 HIS CB . 27483 1 463 . 1 1 102 102 HIS N N 15 118.136 0.025 . 1 . . . . . 102 HIS N . 27483 1 464 . 1 1 103 103 SER H H 1 8.170 0.004 . 1 . . . . . 103 SER H . 27483 1 465 . 1 1 103 103 SER CA C 13 58.315 0.000 . 1 . . . . . 103 SER CA . 27483 1 466 . 1 1 103 103 SER CB C 13 64.075 0.000 . 1 . . . . . 103 SER CB . 27483 1 467 . 1 1 103 103 SER N N 15 116.715 0.009 . 1 . . . . . 103 SER N . 27483 1 468 . 1 1 104 104 VAL H H 1 8.108 0.001 . 1 . . . . . 104 VAL H . 27483 1 469 . 1 1 104 104 VAL C C 13 176.033 0.000 . 1 . . . . . 104 VAL C . 27483 1 470 . 1 1 104 104 VAL CA C 13 62.901 0.000 . 1 . . . . . 104 VAL CA . 27483 1 471 . 1 1 104 104 VAL CB C 13 32.342 0.000 . 1 . . . . . 104 VAL CB . 27483 1 472 . 1 1 104 104 VAL N N 15 121.282 0.000 . 1 . . . . . 104 VAL N . 27483 1 473 . 1 1 105 105 TRP H H 1 7.979 0.001 . 1 . . . . . 105 TRP H . 27483 1 474 . 1 1 105 105 TRP C C 13 176.489 0.000 . 1 . . . . . 105 TRP C . 27483 1 475 . 1 1 105 105 TRP CA C 13 57.430 0.000 . 1 . . . . . 105 TRP CA . 27483 1 476 . 1 1 105 105 TRP CB C 13 29.384 0.000 . 1 . . . . . 105 TRP CB . 27483 1 477 . 1 1 105 105 TRP N N 15 123.015 0.000 . 1 . . . . . 105 TRP N . 27483 1 478 . 1 1 106 106 SER H H 1 7.892 0.002 . 1 . . . . . 106 SER H . 27483 1 479 . 1 1 106 106 SER C C 13 174.511 0.000 . 1 . . . . . 106 SER C . 27483 1 480 . 1 1 106 106 SER CA C 13 58.507 0.000 . 1 . . . . . 106 SER CA . 27483 1 481 . 1 1 106 106 SER CB C 13 63.915 0.000 . 1 . . . . . 106 SER CB . 27483 1 482 . 1 1 106 106 SER N N 15 116.778 0.012 . 1 . . . . . 106 SER N . 27483 1 483 . 1 1 107 107 ARG H H 1 8.036 0.001 . 1 . . . . . 107 ARG H . 27483 1 484 . 1 1 107 107 ARG C C 13 176.409 0.000 . 1 . . . . . 107 ARG C . 27483 1 485 . 1 1 107 107 ARG CA C 13 56.609 0.000 . 1 . . . . . 107 ARG CA . 27483 1 486 . 1 1 107 107 ARG CB C 13 30.308 0.000 . 1 . . . . . 107 ARG CB . 27483 1 487 . 1 1 107 107 ARG N N 15 122.432 0.000 . 1 . . . . . 107 ARG N . 27483 1 488 . 1 1 108 108 LEU H H 1 8.023 0.001 . 1 . . . . . 108 LEU H . 27483 1 489 . 1 1 108 108 LEU C C 13 177.897 0.000 . 1 . . . . . 108 LEU C . 27483 1 490 . 1 1 108 108 LEU CA C 13 55.477 0.000 . 1 . . . . . 108 LEU CA . 27483 1 491 . 1 1 108 108 LEU CB C 13 42.316 0.000 . 1 . . . . . 108 LEU CB . 27483 1 492 . 1 1 108 108 LEU N N 15 121.643 0.000 . 1 . . . . . 108 LEU N . 27483 1 493 . 1 1 109 109 GLY H H 1 8.175 0.001 . 1 . . . . . 109 GLY H . 27483 1 494 . 1 1 109 109 GLY C C 13 173.748 0.000 . 1 . . . . . 109 GLY C . 27483 1 495 . 1 1 109 109 GLY CA C 13 45.249 0.000 . 1 . . . . . 109 GLY CA . 27483 1 496 . 1 1 109 109 GLY N N 15 109.186 0.014 . 1 . . . . . 109 GLY N . 27483 1 497 . 1 1 110 110 ALA H H 1 7.951 0.001 . 1 . . . . . 110 ALA H . 27483 1 498 . 1 1 110 110 ALA C C 13 177.507 0.000 . 1 . . . . . 110 ALA C . 27483 1 499 . 1 1 110 110 ALA CA C 13 52.294 0.000 . 1 . . . . . 110 ALA CA . 27483 1 500 . 1 1 110 110 ALA CB C 13 19.249 0.000 . 1 . . . . . 110 ALA CB . 27483 1 501 . 1 1 110 110 ALA N N 15 123.369 0.000 . 1 . . . . . 110 ALA N . 27483 1 502 . 1 1 111 111 ARG H H 1 8.175 0.001 . 1 . . . . . 111 ARG H . 27483 1 503 . 1 1 111 111 ARG C C 13 175.971 0.000 . 1 . . . . . 111 ARG C . 27483 1 504 . 1 1 111 111 ARG CA C 13 55.855 0.000 . 1 . . . . . 111 ARG CA . 27483 1 505 . 1 1 111 111 ARG CB C 13 30.577 0.000 . 1 . . . . . 111 ARG CB . 27483 1 506 . 1 1 111 111 ARG N N 15 120.032 0.000 . 1 . . . . . 111 ARG N . 27483 1 507 . 1 1 112 112 ARG H H 1 8.260 0.001 . 1 . . . . . 112 ARG H . 27483 1 508 . 1 1 112 112 ARG C C 13 174.208 0.000 . 1 . . . . . 112 ARG C . 27483 1 509 . 1 1 112 112 ARG CA C 13 53.831 0.000 . 1 . . . . . 112 ARG CA . 27483 1 510 . 1 1 112 112 ARG CB C 13 30.217 0.000 . 1 . . . . . 112 ARG CB . 27483 1 511 . 1 1 112 112 ARG N N 15 123.482 0.000 . 1 . . . . . 112 ARG N . 27483 1 512 . 1 1 113 113 PRO C C 13 176.845 0.000 . 1 . . . . . 113 PRO C . 27483 1 513 . 1 1 113 113 PRO CA C 13 63.361 0.000 . 1 . . . . . 113 PRO CA . 27483 1 514 . 1 1 113 113 PRO N N 15 137.240 0.000 . 1 . . . . . 113 PRO N . 27483 1 515 . 1 1 114 114 SER H H 1 8.385 0.001 . 1 . . . . . 114 SER H . 27483 1 516 . 1 1 114 114 SER CA C 13 58.459 0.000 . 1 . . . . . 114 SER CA . 27483 1 517 . 1 1 114 114 SER CB C 13 62.785 0.000 . 1 . . . . . 114 SER CB . 27483 1 518 . 1 1 114 114 SER N N 15 116.002 0.000 . 1 . . . . . 114 SER N . 27483 1 519 . 1 1 115 115 CYS H H 1 8.253 0.011 . 1 . . . . . 115 CYS H . 27483 1 520 . 1 1 115 115 CYS C C 13 174.081 0.000 . 1 . . . . . 115 CYS C . 27483 1 521 . 1 1 115 115 CYS CB C 13 28.315 0.084 . 1 . . . . . 115 CYS CB . 27483 1 522 . 1 1 115 115 CYS N N 15 120.342 0.002 . 1 . . . . . 115 CYS N . 27483 1 523 . 1 1 116 116 SER H H 1 8.325 0.001 . 1 . . . . . 116 SER H . 27483 1 524 . 1 1 116 116 SER CA C 13 56.474 0.000 . 1 . . . . . 116 SER CA . 27483 1 525 . 1 1 116 116 SER CB C 13 63.452 0.000 . 1 . . . . . 116 SER CB . 27483 1 526 . 1 1 116 116 SER N N 15 119.199 0.000 . 1 . . . . . 116 SER N . 27483 1 527 . 1 1 118 118 GLU H H 1 8.398 0.001 . 1 . . . . . 118 GLU H . 27483 1 528 . 1 1 118 118 GLU C C 13 176.489 0.000 . 1 . . . . . 118 GLU C . 27483 1 529 . 1 1 118 118 GLU CA C 13 56.683 0.000 . 1 . . . . . 118 GLU CA . 27483 1 530 . 1 1 118 118 GLU CB C 13 29.989 0.000 . 1 . . . . . 118 GLU CB . 27483 1 531 . 1 1 118 118 GLU N N 15 120.624 0.000 . 1 . . . . . 118 GLU N . 27483 1 532 . 1 1 119 119 ARG H H 1 8.189 0.001 . 1 . . . . . 119 ARG H . 27483 1 533 . 1 1 119 119 ARG C C 13 173.796 0.000 . 1 . . . . . 119 ARG C . 27483 1 534 . 1 1 119 119 ARG CA C 13 55.983 0.000 . 1 . . . . . 119 ARG CA . 27483 1 535 . 1 1 119 119 ARG CB C 13 30.591 0.000 . 1 . . . . . 119 ARG CB . 27483 1 536 . 1 1 119 119 ARG N N 15 121.848 0.000 . 1 . . . . . 119 ARG N . 27483 1 537 . 1 1 120 120 HIS H H 1 8.257 0.002 . 1 . . . . . 120 HIS H . 27483 1 538 . 1 1 120 120 HIS C C 13 175.475 0.000 . 1 . . . . . 120 HIS C . 27483 1 539 . 1 1 120 120 HIS N N 15 119.609 0.006 . 1 . . . . . 120 HIS N . 27483 1 540 . 1 1 121 121 GLY H H 1 8.425 0.003 . 1 . . . . . 121 GLY H . 27483 1 541 . 1 1 121 121 GLY C C 13 174.564 0.000 . 1 . . . . . 121 GLY C . 27483 1 542 . 1 1 121 121 GLY CA C 13 45.431 0.000 . 1 . . . . . 121 GLY CA . 27483 1 543 . 1 1 121 121 GLY N N 15 110.250 0.000 . 1 . . . . . 121 GLY N . 27483 1 544 . 1 1 122 122 GLY H H 1 8.271 0.002 . 1 . . . . . 122 GLY H . 27483 1 545 . 1 1 122 122 GLY C C 13 173.978 0.000 . 1 . . . . . 122 GLY C . 27483 1 546 . 1 1 122 122 GLY CA C 13 45.110 0.000 . 1 . . . . . 122 GLY CA . 27483 1 547 . 1 1 122 122 GLY N N 15 108.700 0.011 . 1 . . . . . 122 GLY N . 27483 1 548 . 1 1 123 123 LYS H H 1 8.144 0.001 . 1 . . . . . 123 LYS H . 27483 1 549 . 1 1 123 123 LYS C C 13 176.612 0.000 . 1 . . . . . 123 LYS C . 27483 1 550 . 1 1 123 123 LYS CA C 13 56.367 0.000 . 1 . . . . . 123 LYS CA . 27483 1 551 . 1 1 123 123 LYS N N 15 120.849 0.000 . 1 . . . . . 123 LYS N . 27483 1 552 . 1 1 124 124 VAL H H 1 8.061 0.001 . 1 . . . . . 124 VAL H . 27483 1 553 . 1 1 124 124 VAL C C 13 175.734 0.000 . 1 . . . . . 124 VAL C . 27483 1 554 . 1 1 124 124 VAL CA C 13 62.171 0.000 . 1 . . . . . 124 VAL CA . 27483 1 555 . 1 1 124 124 VAL N N 15 121.314 0.000 . 1 . . . . . 124 VAL N . 27483 1 556 . 1 1 125 125 ALA H H 1 8.282 0.002 . 1 . . . . . 125 ALA H . 27483 1 557 . 1 1 125 125 ALA C C 13 177.328 0.000 . 1 . . . . . 125 ALA C . 27483 1 558 . 1 1 125 125 ALA CA C 13 52.365 0.000 . 1 . . . . . 125 ALA CA . 27483 1 559 . 1 1 125 125 ALA CB C 13 19.110 0.000 . 1 . . . . . 125 ALA CB . 27483 1 560 . 1 1 125 125 ALA N N 15 128.183 0.000 . 1 . . . . . 125 ALA N . 27483 1 561 . 1 1 126 126 ARG H H 1 8.184 0.002 . 1 . . . . . 126 ARG H . 27483 1 562 . 1 1 126 126 ARG C C 13 175.988 0.000 . 1 . . . . . 126 ARG C . 27483 1 563 . 1 1 126 126 ARG CA C 13 56.012 0.064 . 1 . . . . . 126 ARG CA . 27483 1 564 . 1 1 126 126 ARG CB C 13 30.775 0.115 . 1 . . . . . 126 ARG CB . 27483 1 565 . 1 1 126 126 ARG N N 15 120.495 0.029 . 1 . . . . . 126 ARG N . 27483 1 566 . 1 1 127 127 LEU H H 1 8.181 0.001 . 1 . . . . . 127 LEU H . 27483 1 567 . 1 1 127 127 LEU C C 13 176.850 0.000 . 1 . . . . . 127 LEU C . 27483 1 568 . 1 1 127 127 LEU CA C 13 54.967 0.000 . 1 . . . . . 127 LEU CA . 27483 1 569 . 1 1 127 127 LEU CB C 13 42.351 0.000 . 1 . . . . . 127 LEU CB . 27483 1 570 . 1 1 127 127 LEU N N 15 123.554 0.000 . 1 . . . . . 127 LEU N . 27483 1 571 . 1 1 128 128 GLN H H 1 8.258 0.002 . 1 . . . . . 128 GLN H . 27483 1 572 . 1 1 128 128 GLN C C 13 173.321 0.004 . 1 . . . . . 128 GLN C . 27483 1 573 . 1 1 128 128 GLN CA C 13 53.359 0.000 . 1 . . . . . 128 GLN CA . 27483 1 574 . 1 1 128 128 GLN CB C 13 29.204 0.000 . 1 . . . . . 128 GLN CB . 27483 1 575 . 1 1 128 128 GLN N N 15 122.512 0.007 . 1 . . . . . 128 GLN N . 27483 1 576 . 1 1 129 129 PRO C C 13 174.080 0.000 . 1 . . . . . 129 PRO C . 27483 1 577 . 1 1 129 129 PRO CA C 13 61.392 0.000 . 1 . . . . . 129 PRO CA . 27483 1 578 . 1 1 129 129 PRO CD C 13 50.406 0.000 . 1 . . . . . 129 PRO CD . 27483 1 579 . 1 1 129 129 PRO N N 15 138.528 0.009 . 1 . . . . . 129 PRO N . 27483 1 580 . 1 1 130 130 PRO C C 13 174.735 0.000 . 1 . . . . . 130 PRO C . 27483 1 581 . 1 1 130 130 PRO CA C 13 61.260 0.000 . 1 . . . . . 130 PRO CA . 27483 1 582 . 1 1 130 130 PRO N N 15 136.373 0.000 . 1 . . . . . 130 PRO N . 27483 1 583 . 1 1 131 131 PRO C C 13 177.061 0.000 . 1 . . . . . 131 PRO C . 27483 1 584 . 1 1 131 131 PRO CA C 13 62.793 0.000 . 1 . . . . . 131 PRO CA . 27483 1 585 . 1 1 131 131 PRO N N 15 134.789 0.000 . 1 . . . . . 131 PRO N . 27483 1 586 . 1 1 132 132 THR H H 1 8.104 0.001 . 1 . . . . . 132 THR H . 27483 1 587 . 1 1 132 132 THR C C 13 174.464 0.000 . 1 . . . . . 132 THR C . 27483 1 588 . 1 1 132 132 THR CA C 13 61.860 0.000 . 1 . . . . . 132 THR CA . 27483 1 589 . 1 1 132 132 THR N N 15 114.550 0.010 . 1 . . . . . 132 THR N . 27483 1 590 . 1 1 133 133 LYS H H 1 8.219 0.002 . 1 . . . . . 133 LYS H . 27483 1 591 . 1 1 133 133 LYS C C 13 175.980 0.000 . 1 . . . . . 133 LYS C . 27483 1 592 . 1 1 133 133 LYS CA C 13 56.109 0.000 . 1 . . . . . 133 LYS CA . 27483 1 593 . 1 1 133 133 LYS CB C 13 33.060 0.000 . 1 . . . . . 133 LYS CB . 27483 1 594 . 1 1 133 133 LYS N N 15 123.657 0.004 . 1 . . . . . 133 LYS N . 27483 1 595 . 1 1 134 134 ALA H H 1 8.221 0.001 . 1 . . . . . 134 ALA H . 27483 1 596 . 1 1 134 134 ALA C C 13 177.421 0.000 . 1 . . . . . 134 ALA C . 27483 1 597 . 1 1 134 134 ALA CA C 13 52.235 0.000 . 1 . . . . . 134 ALA CA . 27483 1 598 . 1 1 134 134 ALA CB C 13 19.105 0.000 . 1 . . . . . 134 ALA CB . 27483 1 599 . 1 1 134 134 ALA N N 15 125.454 0.000 . 1 . . . . . 134 ALA N . 27483 1 600 . 1 1 135 135 GLN H H 1 8.274 0.001 . 1 . . . . . 135 GLN H . 27483 1 601 . 1 1 135 135 GLN C C 13 174.525 1.133 . 1 . . . . . 135 GLN C . 27483 1 602 . 1 1 135 135 GLN CA C 13 53.545 0.000 . 1 . . . . . 135 GLN CA . 27483 1 603 . 1 1 135 135 GLN CB C 13 28.843 0.000 . 1 . . . . . 135 GLN CB . 27483 1 604 . 1 1 135 135 GLN N N 15 120.825 0.000 . 1 . . . . . 135 GLN N . 27483 1 605 . 1 1 136 136 PRO CA C 13 62.909 0.000 . 1 . . . . . 136 PRO CA . 27483 1 606 . 1 1 136 136 PRO CD C 13 50.395 0.000 . 1 . . . . . 136 PRO CD . 27483 1 607 . 1 1 136 136 PRO N N 15 137.180 0.000 . 1 . . . . . 136 PRO N . 27483 1 608 . 1 1 137 137 ALA H H 1 8.326 0.000 . 1 . . . . . 137 ALA H . 27483 1 609 . 1 1 137 137 ALA C C 13 177.819 0.000 . 1 . . . . . 137 ALA C . 27483 1 610 . 1 1 137 137 ALA CA C 13 52.525 0.000 . 1 . . . . . 137 ALA CA . 27483 1 611 . 1 1 137 137 ALA CB C 13 19.029 0.000 . 1 . . . . . 137 ALA CB . 27483 1 612 . 1 1 137 137 ALA N N 15 124.233 0.000 . 1 . . . . . 137 ALA N . 27483 1 613 . 1 1 138 138 ARG H H 1 8.196 0.005 . 1 . . . . . 138 ARG H . 27483 1 614 . 1 1 138 138 ARG CA C 13 56.097 0.000 . 1 . . . . . 138 ARG CA . 27483 1 615 . 1 1 138 138 ARG CB C 13 30.553 0.000 . 1 . . . . . 138 ARG CB . 27483 1 616 . 1 1 138 138 ARG N N 15 120.330 0.000 . 1 . . . . . 138 ARG N . 27483 1 617 . 1 1 141 141 LEU C C 13 177.311 0.000 . 1 . . . . . 141 LEU C . 27483 1 618 . 1 1 143 143 VAL H H 1 7.940 0.001 . 1 . . . . . 143 VAL H . 27483 1 619 . 1 1 143 143 VAL C C 13 175.919 0.000 . 1 . . . . . 143 VAL C . 27483 1 620 . 1 1 143 143 VAL CA C 13 62.526 0.000 . 1 . . . . . 143 VAL CA . 27483 1 621 . 1 1 143 143 VAL CB C 13 32.439 0.000 . 1 . . . . . 143 VAL CB . 27483 1 622 . 1 1 143 143 VAL N N 15 120.704 0.000 . 1 . . . . . 143 VAL N . 27483 1 623 . 1 1 144 144 LEU H H 1 8.071 0.001 . 1 . . . . . 144 LEU H . 27483 1 624 . 1 1 144 144 LEU C C 13 176.839 0.000 . 1 . . . . . 144 LEU C . 27483 1 625 . 1 1 144 144 LEU CA C 13 55.144 0.000 . 1 . . . . . 144 LEU CA . 27483 1 626 . 1 1 144 144 LEU CB C 13 42.345 0.000 . 1 . . . . . 144 LEU CB . 27483 1 627 . 1 1 144 144 LEU N N 15 124.912 0.000 . 1 . . . . . 144 LEU N . 27483 1 628 . 1 1 145 145 PHE C C 13 175.299 0.000 . 1 . . . . . 145 PHE C . 27483 1 629 . 1 1 146 146 GLN H H 1 8.131 0.001 . 1 . . . . . 146 GLN H . 27483 1 630 . 1 1 146 146 GLN C C 13 175.544 0.000 . 1 . . . . . 146 GLN C . 27483 1 631 . 1 1 146 146 GLN CA C 13 55.552 0.000 . 1 . . . . . 146 GLN CA . 27483 1 632 . 1 1 146 146 GLN N N 15 122.305 0.000 . 1 . . . . . 146 GLN N . 27483 1 633 . 1 1 147 147 GLY H H 1 7.826 0.001 . 1 . . . . . 147 GLY H . 27483 1 634 . 1 1 147 147 GLY C C 13 171.596 0.000 . 1 . . . . . 147 GLY C . 27483 1 635 . 1 1 147 147 GLY CA C 13 44.613 0.000 . 1 . . . . . 147 GLY CA . 27483 1 636 . 1 1 147 147 GLY N N 15 110.051 0.000 . 1 . . . . . 147 GLY N . 27483 1 637 . 1 1 148 148 PRO C C 13 176.051 0.000 . 1 . . . . . 148 PRO C . 27483 1 638 . 1 1 148 148 PRO CA C 13 63.194 0.000 . 1 . . . . . 148 PRO CA . 27483 1 639 . 1 1 148 148 PRO N N 15 133.420 0.000 . 1 . . . . . 148 PRO N . 27483 1 640 . 1 1 149 149 LEU H H 1 8.235 0.001 . 1 . . . . . 149 LEU H . 27483 1 641 . 1 1 149 149 LEU C C 13 177.307 0.000 . 1 . . . . . 149 LEU C . 27483 1 642 . 1 1 149 149 LEU CA C 13 55.131 0.000 . 1 . . . . . 149 LEU CA . 27483 1 643 . 1 1 149 149 LEU CB C 13 42.229 0.000 . 1 . . . . . 149 LEU CB . 27483 1 644 . 1 1 149 149 LEU N N 15 121.677 0.000 . 1 . . . . . 149 LEU N . 27483 1 645 . 1 1 156 156 HIS H H 1 8.150 0.000 . 1 . . . . . 156 HIS H . 27483 1 646 . 1 1 156 156 HIS C C 13 178.984 0.000 . 1 . . . . . 156 HIS C . 27483 1 647 . 1 1 156 156 HIS CA C 13 57.197 0.000 . 1 . . . . . 156 HIS CA . 27483 1 648 . 1 1 156 156 HIS CB C 13 29.740 0.000 . 1 . . . . . 156 HIS CB . 27483 1 649 . 1 1 156 156 HIS N N 15 125.265 0.000 . 1 . . . . . 156 HIS N . 27483 1 stop_ save_