data_19669 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19669 _Entry.Title ; Backbone 1H, 15N, and 13C resonance assignments of the N-terminal carbohydrate-binding domain of beta-glucan recognition protein 2 from Manduca sexta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-09 _Entry.Accession_date 2013-12-09 _Entry.Last_release_date 2014-01-13 _Entry.Original_release_date 2014-01-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Daisuke Takahashi . . . 19669 2 Huaien Dai . . . 19669 3 Yasuaki Hiromasa . . . 19669 4 Ramaswamy Krishnamoorthi . . . 19669 5 Michael Kanost . . . 19669 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kanost Lab, Department of Biochemistry and Molecular Biophysics, Kansas State University' . 19669 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19669 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 19669 '15N chemical shifts' 103 19669 '1H chemical shifts' 103 19669 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 . . 2014-01-13 2013-12-09 original author . 19669 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19669 _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 'Backbone 1H, 15N, and 13C resonance assignments of the N-terminal carbohydrate-binding domain of beta-glucan recognition protein 2 from Manduca sexta' _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.Entry_ID _Citation_author.Citation_ID 1 Daisuke Takahashi . . . 19669 1 2 Huaien Dai . . . 19669 1 3 Yasuaki Hiromasa . . . 19669 1 4 Ramaswamy Krishnamoorthi . . . 19669 1 5 Michael Kanost . . . 19669 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta-glucan binding' 19669 1 'carbohydrate binding' 19669 1 'innate Immunity' 19669 1 'pattern recognition receptor' 19669 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19669 _Assembly.ID 1 _Assembly.Name 'Ms-NbGRP2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ms-NbGRP2 1 $Ms_N-bGRP2 A . yes native no no . . . 19669 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ms_N-bGRP2 _Entity.Sf_category entity _Entity.Sf_framecode Ms_N-bGRP2 _Entity.Entry_ID 19669 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ms_N-bGRP2 _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 ; MGQRGGPYKVPDAKLEAIYP KGLRVSVPDDGYSLFAFHGK LNEEMEGLEAGHWSRDITKA KQGRWIFRDRNAELKLGDKI YFWTYVIKDGLGYRQDNGEW TVTEFVNENGTLEHHHHHH ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2014-05-12 loop_ _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 no GB AAN10151 . "beta-1,3-glucan recognition protein 2 [Manduca sexta]" . . . . . 94.12 482 98.21 100.00 2.59e-71 . . . . 19669 1 no SP Q8ISB6 . "RecName: Full=Beta-1,3-glucan-binding protein 2; Short=BGBP-2; AltName: Full=Beta-1,3-glucan recognition protein 2; Short=BetaG" . . . . . 94.12 482 98.21 100.00 2.59e-71 . . . . 19669 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 1 MET . 19669 1 2 2 GLY . 19669 1 3 3 GLN . 19669 1 4 4 ARG . 19669 1 5 5 GLY . 19669 1 6 6 GLY . 19669 1 7 7 PRO . 19669 1 8 8 TYR . 19669 1 9 9 LYS . 19669 1 10 10 VAL . 19669 1 11 11 PRO . 19669 1 12 12 ASP . 19669 1 13 13 ALA . 19669 1 14 14 LYS . 19669 1 15 15 LEU . 19669 1 16 16 GLU . 19669 1 17 17 ALA . 19669 1 18 18 ILE . 19669 1 19 19 TYR . 19669 1 20 20 PRO . 19669 1 21 21 LYS . 19669 1 22 22 GLY . 19669 1 23 23 LEU . 19669 1 24 24 ARG . 19669 1 25 25 VAL . 19669 1 26 26 SER . 19669 1 27 27 VAL . 19669 1 28 28 PRO . 19669 1 29 29 ASP . 19669 1 30 30 ASP . 19669 1 31 31 GLY . 19669 1 32 32 TYR . 19669 1 33 33 SER . 19669 1 34 34 LEU . 19669 1 35 35 PHE . 19669 1 36 36 ALA . 19669 1 37 37 PHE . 19669 1 38 38 HIS . 19669 1 39 39 GLY . 19669 1 40 40 LYS . 19669 1 41 41 LEU . 19669 1 42 42 ASN . 19669 1 43 43 GLU . 19669 1 44 44 GLU . 19669 1 45 45 MET . 19669 1 46 46 GLU . 19669 1 47 47 GLY . 19669 1 48 48 LEU . 19669 1 49 49 GLU . 19669 1 50 50 ALA . 19669 1 51 51 GLY . 19669 1 52 52 HIS . 19669 1 53 53 TRP . 19669 1 54 54 SER . 19669 1 55 55 ARG . 19669 1 56 56 ASP . 19669 1 57 57 ILE . 19669 1 58 58 THR . 19669 1 59 59 LYS . 19669 1 60 60 ALA . 19669 1 61 61 LYS . 19669 1 62 62 GLN . 19669 1 63 63 GLY . 19669 1 64 64 ARG . 19669 1 65 65 TRP . 19669 1 66 66 ILE . 19669 1 67 67 PHE . 19669 1 68 68 ARG . 19669 1 69 69 ASP . 19669 1 70 70 ARG . 19669 1 71 71 ASN . 19669 1 72 72 ALA . 19669 1 73 73 GLU . 19669 1 74 74 LEU . 19669 1 75 75 LYS . 19669 1 76 76 LEU . 19669 1 77 77 GLY . 19669 1 78 78 ASP . 19669 1 79 79 LYS . 19669 1 80 80 ILE . 19669 1 81 81 TYR . 19669 1 82 82 PHE . 19669 1 83 83 TRP . 19669 1 84 84 THR . 19669 1 85 85 TYR . 19669 1 86 86 VAL . 19669 1 87 87 ILE . 19669 1 88 88 LYS . 19669 1 89 89 ASP . 19669 1 90 90 GLY . 19669 1 91 91 LEU . 19669 1 92 92 GLY . 19669 1 93 93 TYR . 19669 1 94 94 ARG . 19669 1 95 95 GLN . 19669 1 96 96 ASP . 19669 1 97 97 ASN . 19669 1 98 98 GLY . 19669 1 99 99 GLU . 19669 1 100 100 TRP . 19669 1 101 101 THR . 19669 1 102 102 VAL . 19669 1 103 103 THR . 19669 1 104 104 GLU . 19669 1 105 105 PHE . 19669 1 106 106 VAL . 19669 1 107 107 ASN . 19669 1 108 108 GLU . 19669 1 109 109 ASN . 19669 1 110 110 GLY . 19669 1 111 111 THR . 19669 1 112 112 LEU . 19669 1 113 113 GLU . 19669 1 114 114 HIS . 19669 1 115 115 HIS . 19669 1 116 116 HIS . 19669 1 117 117 HIS . 19669 1 118 118 HIS . 19669 1 119 119 HIS . 19669 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 19669 1 . GLY 2 2 19669 1 . GLN 3 3 19669 1 . ARG 4 4 19669 1 . GLY 5 5 19669 1 . GLY 6 6 19669 1 . PRO 7 7 19669 1 . TYR 8 8 19669 1 . LYS 9 9 19669 1 . VAL 10 10 19669 1 . PRO 11 11 19669 1 . ASP 12 12 19669 1 . ALA 13 13 19669 1 . LYS 14 14 19669 1 . LEU 15 15 19669 1 . GLU 16 16 19669 1 . ALA 17 17 19669 1 . ILE 18 18 19669 1 . TYR 19 19 19669 1 . PRO 20 20 19669 1 . LYS 21 21 19669 1 . GLY 22 22 19669 1 . LEU 23 23 19669 1 . ARG 24 24 19669 1 . VAL 25 25 19669 1 . SER 26 26 19669 1 . VAL 27 27 19669 1 . PRO 28 28 19669 1 . ASP 29 29 19669 1 . ASP 30 30 19669 1 . GLY 31 31 19669 1 . TYR 32 32 19669 1 . SER 33 33 19669 1 . LEU 34 34 19669 1 . PHE 35 35 19669 1 . ALA 36 36 19669 1 . PHE 37 37 19669 1 . HIS 38 38 19669 1 . GLY 39 39 19669 1 . LYS 40 40 19669 1 . LEU 41 41 19669 1 . ASN 42 42 19669 1 . GLU 43 43 19669 1 . GLU 44 44 19669 1 . MET 45 45 19669 1 . GLU 46 46 19669 1 . GLY 47 47 19669 1 . LEU 48 48 19669 1 . GLU 49 49 19669 1 . ALA 50 50 19669 1 . GLY 51 51 19669 1 . HIS 52 52 19669 1 . TRP 53 53 19669 1 . SER 54 54 19669 1 . ARG 55 55 19669 1 . ASP 56 56 19669 1 . ILE 57 57 19669 1 . THR 58 58 19669 1 . LYS 59 59 19669 1 . ALA 60 60 19669 1 . LYS 61 61 19669 1 . GLN 62 62 19669 1 . GLY 63 63 19669 1 . ARG 64 64 19669 1 . TRP 65 65 19669 1 . ILE 66 66 19669 1 . PHE 67 67 19669 1 . ARG 68 68 19669 1 . ASP 69 69 19669 1 . ARG 70 70 19669 1 . ASN 71 71 19669 1 . ALA 72 72 19669 1 . GLU 73 73 19669 1 . LEU 74 74 19669 1 . LYS 75 75 19669 1 . LEU 76 76 19669 1 . GLY 77 77 19669 1 . ASP 78 78 19669 1 . LYS 79 79 19669 1 . ILE 80 80 19669 1 . TYR 81 81 19669 1 . PHE 82 82 19669 1 . TRP 83 83 19669 1 . THR 84 84 19669 1 . TYR 85 85 19669 1 . VAL 86 86 19669 1 . ILE 87 87 19669 1 . LYS 88 88 19669 1 . ASP 89 89 19669 1 . GLY 90 90 19669 1 . LEU 91 91 19669 1 . GLY 92 92 19669 1 . TYR 93 93 19669 1 . ARG 94 94 19669 1 . GLN 95 95 19669 1 . ASP 96 96 19669 1 . ASN 97 97 19669 1 . GLY 98 98 19669 1 . GLU 99 99 19669 1 . TRP 100 100 19669 1 . THR 101 101 19669 1 . VAL 102 102 19669 1 . THR 103 103 19669 1 . GLU 104 104 19669 1 . PHE 105 105 19669 1 . VAL 106 106 19669 1 . ASN 107 107 19669 1 . GLU 108 108 19669 1 . ASN 109 109 19669 1 . GLY 110 110 19669 1 . THR 111 111 19669 1 . LEU 112 112 19669 1 . GLU 113 113 19669 1 . HIS 114 114 19669 1 . HIS 115 115 19669 1 . HIS 116 116 19669 1 . HIS 117 117 19669 1 . HIS 118 118 19669 1 . HIS 119 119 19669 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 19669 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ms_N-bGRP2 . 7130 organism . 'Manduca sexta' 'tobacco hornworm' . . Eukaryota Metazoa Manduca sexta . . . . . . . . . . . . . . . . . . . . . 19669 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 19669 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ms_N-bGRP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-NbGRP2 . . . . . . 19669 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19669 _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 'Ms N-bGRP2' '[U-99% 13C; U-99% 15N]' . . 1 $Ms_N-bGRP2 . . 1.5 . . mM . . . . 19669 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19669 1 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 19669 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19669 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19669 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 19669 _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' 20 . mM 19669 1 pH 7.0 . pH 19669 1 pressure 1 . atm 19669 1 temperature 298 . K 19669 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19669 _Software.ID 1 _Software.Name VNMRJ _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19669 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19669 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19669 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19669 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19669 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19669 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wuthrich group, ETH Zurich' . . 19669 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19669 3 'data analysis' 19669 3 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 19669 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _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 19669 _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 VNMR . 500 . . . 19669 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 19669 _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 . . . . . . . . . . . . . . . . 19669 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19669 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19669 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19669 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19669 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 19669 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19669 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19669 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19669 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 19669 _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' . . . 19669 1 2 '3D HNCA' . . . 19669 1 3 '3D HN(CO)CA' . . . 19669 1 4 '3D HNCACB' . . . 19669 1 5 '3D HNCO' . . . 19669 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ARG H H 1 9.832 0.020 . 1 . . . . 4 ARG H . 19669 1 2 . 1 1 4 4 ARG CA C 13 54.398 0.300 . 1 . . . . 4 ARG CA . 19669 1 3 . 1 1 4 4 ARG CB C 13 28.618 0.300 . 1 . . . . 4 ARG CB . 19669 1 4 . 1 1 4 4 ARG N N 15 127.395 0.300 . 1 . . . . 4 ARG N . 19669 1 5 . 1 1 5 5 GLY H H 1 8.035 0.020 . 1 . . . . 5 GLY H . 19669 1 6 . 1 1 5 5 GLY CA C 13 44.809 0.300 . 1 . . . . 5 GLY CA . 19669 1 7 . 1 1 5 5 GLY N N 15 111.745 0.300 . 1 . . . . 5 GLY N . 19669 1 8 . 1 1 6 6 GLY H H 1 8.147 0.020 . 1 . . . . 6 GLY H . 19669 1 9 . 1 1 6 6 GLY CA C 13 44.206 0.300 . 1 . . . . 6 GLY CA . 19669 1 10 . 1 1 6 6 GLY N N 15 108.809 0.300 . 1 . . . . 6 GLY N . 19669 1 11 . 1 1 8 8 TYR H H 1 8.069 0.020 . 1 . . . . 8 TYR H . 19669 1 12 . 1 1 8 8 TYR CA C 13 59.426 0.300 . 1 . . . . 8 TYR CA . 19669 1 13 . 1 1 8 8 TYR CB C 13 38.410 0.300 . 1 . . . . 8 TYR CB . 19669 1 14 . 1 1 8 8 TYR N N 15 123.496 0.300 . 1 . . . . 8 TYR N . 19669 1 15 . 1 1 9 9 LYS H H 1 7.084 0.020 . 1 . . . . 9 LYS H . 19669 1 16 . 1 1 9 9 LYS CA C 13 53.727 0.300 . 1 . . . . 9 LYS CA . 19669 1 17 . 1 1 9 9 LYS CB C 13 33.845 0.300 . 1 . . . . 9 LYS CB . 19669 1 18 . 1 1 9 9 LYS N N 15 127.467 0.300 . 1 . . . . 9 LYS N . 19669 1 19 . 1 1 10 10 VAL H H 1 8.208 0.020 . 1 . . . . 10 VAL H . 19669 1 20 . 1 1 10 10 VAL CA C 13 59.996 0.300 . 1 . . . . 10 VAL CA . 19669 1 21 . 1 1 10 10 VAL CB C 13 32.814 0.300 . 1 . . . . 10 VAL CB . 19669 1 22 . 1 1 10 10 VAL N N 15 126.518 0.300 . 1 . . . . 10 VAL N . 19669 1 23 . 1 1 12 12 ASP H H 1 7.940 0.020 . 1 . . . . 12 ASP H . 19669 1 24 . 1 1 12 12 ASP CA C 13 53.928 0.300 . 1 . . . . 12 ASP CA . 19669 1 25 . 1 1 12 12 ASP CB C 13 40.103 0.300 . 1 . . . . 12 ASP CB . 19669 1 26 . 1 1 12 12 ASP N N 15 119.749 0.300 . 1 . . . . 12 ASP N . 19669 1 27 . 1 1 13 13 ALA H H 1 8.914 0.020 . 1 . . . . 13 ALA H . 19669 1 28 . 1 1 13 13 ALA CA C 13 52.218 0.300 . 1 . . . . 13 ALA CA . 19669 1 29 . 1 1 13 13 ALA CB C 13 18.163 0.300 . 1 . . . . 13 ALA CB . 19669 1 30 . 1 1 13 13 ALA N N 15 125.795 0.300 . 1 . . . . 13 ALA N . 19669 1 31 . 1 1 14 14 LYS H H 1 8.717 0.020 . 1 . . . . 14 LYS H . 19669 1 32 . 1 1 14 14 LYS CA C 13 54.565 0.300 . 1 . . . . 14 LYS CA . 19669 1 33 . 1 1 14 14 LYS CB C 13 33.109 0.300 . 1 . . . . 14 LYS CB . 19669 1 34 . 1 1 14 14 LYS N N 15 122.630 0.300 . 1 . . . . 14 LYS N . 19669 1 35 . 1 1 15 15 LEU H H 1 8.282 0.020 . 1 . . . . 15 LEU H . 19669 1 36 . 1 1 15 15 LEU CA C 13 56.174 0.300 . 1 . . . . 15 LEU CA . 19669 1 37 . 1 1 15 15 LEU N N 15 131.876 0.300 . 1 . . . . 15 LEU N . 19669 1 38 . 1 1 16 16 GLU H H 1 8.350 0.020 . 1 . . . . 16 GLU H . 19669 1 39 . 1 1 16 16 GLU CA C 13 54.599 0.300 . 1 . . . . 16 GLU CA . 19669 1 40 . 1 1 16 16 GLU CB C 13 35.170 0.300 . 1 . . . . 16 GLU CB . 19669 1 41 . 1 1 16 16 GLU N N 15 117.812 0.300 . 1 . . . . 16 GLU N . 19669 1 42 . 1 1 17 17 ALA H H 1 9.435 0.020 . 1 . . . . 17 ALA H . 19669 1 43 . 1 1 17 17 ALA CA C 13 50.308 0.300 . 1 . . . . 17 ALA CA . 19669 1 44 . 1 1 17 17 ALA CB C 13 19.930 0.300 . 1 . . . . 17 ALA CB . 19669 1 45 . 1 1 17 17 ALA N N 15 127.594 0.300 . 1 . . . . 17 ALA N . 19669 1 46 . 1 1 18 18 ILE H H 1 7.787 0.020 . 1 . . . . 18 ILE H . 19669 1 47 . 1 1 18 18 ILE CA C 13 58.186 0.300 . 1 . . . . 18 ILE CA . 19669 1 48 . 1 1 18 18 ILE CB C 13 36.864 0.300 . 1 . . . . 18 ILE CB . 19669 1 49 . 1 1 18 18 ILE N N 15 124.623 0.300 . 1 . . . . 18 ILE N . 19669 1 50 . 1 1 19 19 TYR H H 1 8.719 0.020 . 1 . . . . 19 TYR H . 19669 1 51 . 1 1 19 19 TYR CA C 13 54.364 0.300 . 1 . . . . 19 TYR CA . 19669 1 52 . 1 1 19 19 TYR CB C 13 40.177 0.300 . 1 . . . . 19 TYR CB . 19669 1 53 . 1 1 19 19 TYR N N 15 126.025 0.300 . 1 . . . . 19 TYR N . 19669 1 54 . 1 1 21 21 LYS H H 1 7.026 0.020 . 1 . . . . 21 LYS H . 19669 1 55 . 1 1 21 21 LYS CA C 13 55.604 0.300 . 1 . . . . 21 LYS CA . 19669 1 56 . 1 1 21 21 LYS CB C 13 35.465 0.300 . 1 . . . . 21 LYS CB . 19669 1 57 . 1 1 21 21 LYS N N 15 119.179 0.300 . 1 . . . . 21 LYS N . 19669 1 58 . 1 1 22 22 GLY H H 1 8.652 0.020 . 1 . . . . 22 GLY H . 19669 1 59 . 1 1 22 22 GLY CA C 13 44.240 0.300 . 1 . . . . 22 GLY CA . 19669 1 60 . 1 1 22 22 GLY N N 15 109.192 0.300 . 1 . . . . 22 GLY N . 19669 1 61 . 1 1 23 23 LEU H H 1 8.225 0.020 . 1 . . . . 23 LEU H . 19669 1 62 . 1 1 23 23 LEU CA C 13 53.157 0.300 . 1 . . . . 23 LEU CA . 19669 1 63 . 1 1 23 23 LEU CB C 13 46.067 0.300 . 1 . . . . 23 LEU CB . 19669 1 64 . 1 1 23 23 LEU N N 15 122.395 0.300 . 1 . . . . 23 LEU N . 19669 1 65 . 1 1 24 24 ARG H H 1 8.895 0.020 . 1 . . . . 24 ARG H . 19669 1 66 . 1 1 24 24 ARG CA C 13 54.800 0.300 . 1 . . . . 24 ARG CA . 19669 1 67 . 1 1 24 24 ARG CB C 13 35.023 0.300 . 1 . . . . 24 ARG CB . 19669 1 68 . 1 1 24 24 ARG N N 15 129.495 0.300 . 1 . . . . 24 ARG N . 19669 1 69 . 1 1 25 25 VAL H H 1 9.057 0.020 . 1 . . . . 25 VAL H . 19669 1 70 . 1 1 25 25 VAL CA C 13 60.097 0.300 . 1 . . . . 25 VAL CA . 19669 1 71 . 1 1 25 25 VAL CB C 13 34.802 0.300 . 1 . . . . 25 VAL CB . 19669 1 72 . 1 1 25 25 VAL N N 15 126.096 0.300 . 1 . . . . 25 VAL N . 19669 1 73 . 1 1 26 26 SER H H 1 8.839 0.020 . 1 . . . . 26 SER H . 19669 1 74 . 1 1 26 26 SER CA C 13 56.577 0.300 . 1 . . . . 26 SER CA . 19669 1 75 . 1 1 26 26 SER CB C 13 68.228 0.300 . 1 . . . . 26 SER CB . 19669 1 76 . 1 1 26 26 SER N N 15 118.064 0.300 . 1 . . . . 26 SER N . 19669 1 77 . 1 1 27 27 VAL H H 1 7.848 0.020 . 1 . . . . 27 VAL H . 19669 1 78 . 1 1 27 27 VAL CA C 13 57.884 0.300 . 1 . . . . 27 VAL CA . 19669 1 79 . 1 1 27 27 VAL CB C 13 34.729 0.300 . 1 . . . . 27 VAL CB . 19669 1 80 . 1 1 27 27 VAL N N 15 112.519 0.300 . 1 . . . . 27 VAL N . 19669 1 81 . 1 1 29 29 ASP H H 1 8.303 0.020 . 1 . . . . 29 ASP H . 19669 1 82 . 1 1 29 29 ASP CA C 13 55.604 0.300 . 1 . . . . 29 ASP CA . 19669 1 83 . 1 1 29 29 ASP CB C 13 41.682 0.300 . 1 . . . . 29 ASP CB . 19669 1 84 . 1 1 29 29 ASP N N 15 117.195 0.300 . 1 . . . . 29 ASP N . 19669 1 85 . 1 1 31 31 GLY H H 1 7.943 0.020 . 1 . . . . 31 GLY H . 19669 1 86 . 1 1 31 31 GLY CA C 13 46.452 0.300 . 1 . . . . 31 GLY CA . 19669 1 87 . 1 1 31 31 GLY N N 15 108.726 0.300 . 1 . . . . 31 GLY N . 19669 1 88 . 1 1 32 32 TYR H H 1 8.673 0.020 . 1 . . . . 32 TYR H . 19669 1 89 . 1 1 32 32 TYR CA C 13 53.794 0.300 . 1 . . . . 32 TYR CA . 19669 1 90 . 1 1 32 32 TYR CB C 13 37.600 0.300 . 1 . . . . 32 TYR CB . 19669 1 91 . 1 1 32 32 TYR N N 15 120.262 0.300 . 1 . . . . 32 TYR N . 19669 1 92 . 1 1 33 33 SER H H 1 8.871 0.020 . 1 . . . . 33 SER H . 19669 1 93 . 1 1 33 33 SER CA C 13 57.851 0.300 . 1 . . . . 33 SER CA . 19669 1 94 . 1 1 33 33 SER CB C 13 64.254 0.300 . 1 . . . . 33 SER CB . 19669 1 95 . 1 1 33 33 SER N N 15 110.776 0.300 . 1 . . . . 33 SER N . 19669 1 96 . 1 1 34 34 LEU H H 1 6.739 0.020 . 1 . . . . 34 LEU H . 19669 1 97 . 1 1 34 34 LEU CA C 13 55.772 0.300 . 1 . . . . 34 LEU CA . 19669 1 98 . 1 1 34 34 LEU CB C 13 45.404 0.300 . 1 . . . . 34 LEU CB . 19669 1 99 . 1 1 34 34 LEU N N 15 123.599 0.300 . 1 . . . . 34 LEU N . 19669 1 100 . 1 1 35 35 PHE H H 1 8.006 0.020 . 1 . . . . 35 PHE H . 19669 1 101 . 1 1 35 35 PHE CA C 13 55.303 0.300 . 1 . . . . 35 PHE CA . 19669 1 102 . 1 1 35 35 PHE N N 15 123.644 0.300 . 1 . . . . 35 PHE N . 19669 1 103 . 1 1 36 36 ALA H H 1 9.416 0.020 . 1 . . . . 36 ALA H . 19669 1 104 . 1 1 36 36 ALA CA C 13 49.738 0.300 . 1 . . . . 36 ALA CA . 19669 1 105 . 1 1 36 36 ALA CB C 13 23.390 0.300 . 1 . . . . 36 ALA CB . 19669 1 106 . 1 1 36 36 ALA N N 15 130.104 0.300 . 1 . . . . 36 ALA N . 19669 1 107 . 1 1 37 37 PHE H H 1 7.118 0.020 . 1 . . . . 37 PHE H . 19669 1 108 . 1 1 37 37 PHE CA C 13 55.202 0.300 . 1 . . . . 37 PHE CA . 19669 1 109 . 1 1 37 37 PHE CB C 13 42.312 0.300 . 1 . . . . 37 PHE CB . 19669 1 110 . 1 1 37 37 PHE N N 15 117.468 0.300 . 1 . . . . 37 PHE N . 19669 1 111 . 1 1 38 38 HIS H H 1 6.594 0.020 . 1 . . . . 38 HIS H . 19669 1 112 . 1 1 38 38 HIS CA C 13 52.654 0.300 . 1 . . . . 38 HIS CA . 19669 1 113 . 1 1 38 38 HIS CB C 13 28.337 0.300 . 1 . . . . 38 HIS CB . 19669 1 114 . 1 1 38 38 HIS N N 15 123.099 0.300 . 1 . . . . 38 HIS N . 19669 1 115 . 1 1 39 39 GLY H H 1 8.990 0.020 . 1 . . . . 39 GLY H . 19669 1 116 . 1 1 39 39 GLY CA C 13 44.876 0.300 . 1 . . . . 39 GLY CA . 19669 1 117 . 1 1 39 39 GLY N N 15 106.397 0.300 . 1 . . . . 39 GLY N . 19669 1 118 . 1 1 40 40 LYS H H 1 9.893 0.020 . 1 . . . . 40 LYS H . 19669 1 119 . 1 1 40 40 LYS CA C 13 55.839 0.300 . 1 . . . . 40 LYS CA . 19669 1 120 . 1 1 40 40 LYS CB C 13 38.263 0.300 . 1 . . . . 40 LYS CB . 19669 1 121 . 1 1 40 40 LYS N N 15 123.003 0.300 . 1 . . . . 40 LYS N . 19669 1 122 . 1 1 41 41 LEU H H 1 9.668 0.020 . 1 . . . . 41 LEU H . 19669 1 123 . 1 1 41 41 LEU CA C 13 54.029 0.300 . 1 . . . . 41 LEU CA . 19669 1 124 . 1 1 41 41 LEU CB C 13 43.416 0.300 . 1 . . . . 41 LEU CB . 19669 1 125 . 1 1 41 41 LEU N N 15 126.307 0.300 . 1 . . . . 41 LEU N . 19669 1 126 . 1 1 42 42 ASN H H 1 10.377 0.020 . 1 . . . . 42 ASN H . 19669 1 127 . 1 1 42 42 ASN CA C 13 55.604 0.300 . 1 . . . . 42 ASN CA . 19669 1 128 . 1 1 42 42 ASN CB C 13 37.011 0.300 . 1 . . . . 42 ASN CB . 19669 1 129 . 1 1 42 42 ASN N N 15 121.444 0.300 . 1 . . . . 42 ASN N . 19669 1 130 . 1 1 43 43 GLU H H 1 6.961 0.020 . 1 . . . . 43 GLU H . 19669 1 131 . 1 1 43 43 GLU CA C 13 55.794 0.300 . 1 . . . . 43 GLU CA . 19669 1 132 . 1 1 43 43 GLU CB C 13 33.330 0.300 . 1 . . . . 43 GLU CB . 19669 1 133 . 1 1 43 43 GLU N N 15 117.115 0.300 . 1 . . . . 43 GLU N . 19669 1 134 . 1 1 44 44 GLU H H 1 8.163 0.020 . 1 . . . . 44 GLU H . 19669 1 135 . 1 1 44 44 GLU CA C 13 56.912 0.300 . 1 . . . . 44 GLU CA . 19669 1 136 . 1 1 44 44 GLU CB C 13 29.943 0.300 . 1 . . . . 44 GLU CB . 19669 1 137 . 1 1 44 44 GLU N N 15 121.447 0.300 . 1 . . . . 44 GLU N . 19669 1 138 . 1 1 45 45 MET H H 1 8.398 0.020 . 1 . . . . 45 MET H . 19669 1 139 . 1 1 45 45 MET CA C 13 55.102 0.300 . 1 . . . . 45 MET CA . 19669 1 140 . 1 1 45 45 MET CB C 13 29.896 0.300 . 1 . . . . 45 MET CB . 19669 1 141 . 1 1 45 45 MET N N 15 121.225 0.300 . 1 . . . . 45 MET N . 19669 1 142 . 1 1 46 46 GLU H H 1 8.268 0.020 . 1 . . . . 46 GLU H . 19669 1 143 . 1 1 46 46 GLU CA C 13 55.943 0.300 . 1 . . . . 46 GLU CA . 19669 1 144 . 1 1 46 46 GLU CB C 13 30.385 0.300 . 1 . . . . 46 GLU CB . 19669 1 145 . 1 1 46 46 GLU N N 15 121.268 0.300 . 1 . . . . 46 GLU N . 19669 1 146 . 1 1 47 47 GLY H H 1 8.537 0.020 . 1 . . . . 47 GLY H . 19669 1 147 . 1 1 47 47 GLY CA C 13 44.876 0.300 . 1 . . . . 47 GLY CA . 19669 1 148 . 1 1 47 47 GLY N N 15 110.818 0.300 . 1 . . . . 47 GLY N . 19669 1 149 . 1 1 48 48 LEU H H 1 8.153 0.020 . 1 . . . . 48 LEU H . 19669 1 150 . 1 1 48 48 LEU CA C 13 52.311 0.300 . 1 . . . . 48 LEU CA . 19669 1 151 . 1 1 48 48 LEU CB C 13 37.747 0.300 . 1 . . . . 48 LEU CB . 19669 1 152 . 1 1 48 48 LEU N N 15 125.058 0.300 . 1 . . . . 48 LEU N . 19669 1 153 . 1 1 49 49 GLU H H 1 7.421 0.020 . 1 . . . . 49 GLU H . 19669 1 154 . 1 1 49 49 GLU CA C 13 55.604 0.300 . 1 . . . . 49 GLU CA . 19669 1 155 . 1 1 49 49 GLU CB C 13 31.121 0.300 . 1 . . . . 49 GLU CB . 19669 1 156 . 1 1 49 49 GLU N N 15 120.942 0.300 . 1 . . . . 49 GLU N . 19669 1 157 . 1 1 50 50 ALA H H 1 8.533 0.020 . 1 . . . . 50 ALA H . 19669 1 158 . 1 1 50 50 ALA CA C 13 55.161 0.300 . 1 . . . . 50 ALA CA . 19669 1 159 . 1 1 50 50 ALA CB C 13 18.605 0.300 . 1 . . . . 50 ALA CB . 19669 1 160 . 1 1 50 50 ALA N N 15 122.406 0.300 . 1 . . . . 50 ALA N . 19669 1 161 . 1 1 51 51 GLY H H 1 8.017 0.020 . 1 . . . . 51 GLY H . 19669 1 162 . 1 1 51 51 GLY CA C 13 43.401 0.300 . 1 . . . . 51 GLY CA . 19669 1 163 . 1 1 51 51 GLY N N 15 98.727 0.300 . 1 . . . . 51 GLY N . 19669 1 164 . 1 1 52 52 HIS H H 1 7.539 0.020 . 1 . . . . 52 HIS H . 19669 1 165 . 1 1 52 52 HIS CA C 13 57.281 0.300 . 1 . . . . 52 HIS CA . 19669 1 166 . 1 1 52 52 HIS CB C 13 31.563 0.300 . 1 . . . . 52 HIS CB . 19669 1 167 . 1 1 52 52 HIS N N 15 119.256 0.300 . 1 . . . . 52 HIS N . 19669 1 168 . 1 1 53 53 TRP H H 1 8.194 0.020 . 1 . . . . 53 TRP H . 19669 1 169 . 1 1 53 53 TRP CA C 13 57.817 0.300 . 1 . . . . 53 TRP CA . 19669 1 170 . 1 1 53 53 TRP CB C 13 29.869 0.300 . 1 . . . . 53 TRP CB . 19669 1 171 . 1 1 53 53 TRP N N 15 117.834 0.300 . 1 . . . . 53 TRP N . 19669 1 172 . 1 1 54 54 SER H H 1 8.208 0.020 . 1 . . . . 54 SER H . 19669 1 173 . 1 1 54 54 SER CA C 13 55.906 0.300 . 1 . . . . 54 SER CA . 19669 1 174 . 1 1 54 54 SER CB C 13 62.780 0.300 . 1 . . . . 54 SER CB . 19669 1 175 . 1 1 54 54 SER N N 15 115.439 0.300 . 1 . . . . 54 SER N . 19669 1 176 . 1 1 55 55 ARG H H 1 7.791 0.020 . 1 . . . . 55 ARG H . 19669 1 177 . 1 1 55 55 ARG CA C 13 55.571 0.300 . 1 . . . . 55 ARG CA . 19669 1 178 . 1 1 55 55 ARG CB C 13 34.508 0.300 . 1 . . . . 55 ARG CB . 19669 1 179 . 1 1 55 55 ARG N N 15 126.198 0.300 . 1 . . . . 55 ARG N . 19669 1 180 . 1 1 56 56 ASP H H 1 8.329 0.020 . 1 . . . . 56 ASP H . 19669 1 181 . 1 1 56 56 ASP CA C 13 53.492 0.300 . 1 . . . . 56 ASP CA . 19669 1 182 . 1 1 56 56 ASP CB C 13 41.502 0.300 . 1 . . . . 56 ASP CB . 19669 1 183 . 1 1 56 56 ASP N N 15 124.450 0.300 . 1 . . . . 56 ASP N . 19669 1 184 . 1 1 57 57 ILE H H 1 10.044 0.020 . 1 . . . . 57 ILE H . 19669 1 185 . 1 1 57 57 ILE CA C 13 59.560 0.300 . 1 . . . . 57 ILE CA . 19669 1 186 . 1 1 57 57 ILE CB C 13 36.790 0.300 . 1 . . . . 57 ILE CB . 19669 1 187 . 1 1 57 57 ILE N N 15 127.055 0.300 . 1 . . . . 57 ILE N . 19669 1 188 . 1 1 58 58 THR H H 1 8.642 0.020 . 1 . . . . 58 THR H . 19669 1 189 . 1 1 58 58 THR CA C 13 62.276 0.300 . 1 . . . . 58 THR CA . 19669 1 190 . 1 1 58 58 THR CB C 13 69.554 0.300 . 1 . . . . 58 THR CB . 19669 1 191 . 1 1 58 58 THR N N 15 112.754 0.300 . 1 . . . . 58 THR N . 19669 1 192 . 1 1 59 59 LYS H H 1 7.444 0.020 . 1 . . . . 59 LYS H . 19669 1 193 . 1 1 59 59 LYS CA C 13 55.604 0.300 . 1 . . . . 59 LYS CA . 19669 1 194 . 1 1 59 59 LYS CB C 13 35.612 0.300 . 1 . . . . 59 LYS CB . 19669 1 195 . 1 1 59 59 LYS N N 15 121.972 0.300 . 1 . . . . 59 LYS N . 19669 1 196 . 1 1 60 60 ALA H H 1 7.772 0.020 . 1 . . . . 60 ALA H . 19669 1 197 . 1 1 60 60 ALA CA C 13 51.012 0.300 . 1 . . . . 60 ALA CA . 19669 1 198 . 1 1 60 60 ALA CB C 13 17.500 0.300 . 1 . . . . 60 ALA CB . 19669 1 199 . 1 1 60 60 ALA N N 15 127.741 0.300 . 1 . . . . 60 ALA N . 19669 1 200 . 1 1 61 61 LYS H H 1 8.731 0.020 . 1 . . . . 61 LYS H . 19669 1 201 . 1 1 61 61 LYS CA C 13 55.236 0.300 . 1 . . . . 61 LYS CA . 19669 1 202 . 1 1 61 61 LYS CB C 13 34.434 0.300 . 1 . . . . 61 LYS CB . 19669 1 203 . 1 1 61 61 LYS N N 15 120.966 0.300 . 1 . . . . 61 LYS N . 19669 1 204 . 1 1 63 63 GLY H H 1 8.525 0.020 . 1 . . . . 63 GLY H . 19669 1 205 . 1 1 63 63 GLY CA C 13 45.480 0.300 . 1 . . . . 63 GLY CA . 19669 1 206 . 1 1 63 63 GLY N N 15 102.641 0.300 . 1 . . . . 63 GLY N . 19669 1 207 . 1 1 64 64 ARG H H 1 7.678 0.020 . 1 . . . . 64 ARG H . 19669 1 208 . 1 1 64 64 ARG CA C 13 54.666 0.300 . 1 . . . . 64 ARG CA . 19669 1 209 . 1 1 64 64 ARG CB C 13 34.254 0.300 . 1 . . . . 64 ARG CB . 19669 1 210 . 1 1 64 64 ARG N N 15 119.097 0.300 . 1 . . . . 64 ARG N . 19669 1 211 . 1 1 65 65 TRP H H 1 8.938 0.020 . 1 . . . . 65 TRP H . 19669 1 212 . 1 1 65 65 TRP CA C 13 55.973 0.300 . 1 . . . . 65 TRP CA . 19669 1 213 . 1 1 65 65 TRP CB C 13 29.280 0.300 . 1 . . . . 65 TRP CB . 19669 1 214 . 1 1 65 65 TRP N N 15 125.276 0.300 . 1 . . . . 65 TRP N . 19669 1 215 . 1 1 66 66 ILE H H 1 8.536 0.020 . 1 . . . . 66 ILE H . 19669 1 216 . 1 1 66 66 ILE CA C 13 60.264 0.300 . 1 . . . . 66 ILE CA . 19669 1 217 . 1 1 66 66 ILE CB C 13 41.502 0.300 . 1 . . . . 66 ILE CB . 19669 1 218 . 1 1 66 66 ILE N N 15 121.146 0.300 . 1 . . . . 66 ILE N . 19669 1 219 . 1 1 67 67 PHE H H 1 9.587 0.020 . 1 . . . . 67 PHE H . 19669 1 220 . 1 1 67 67 PHE CA C 13 56.141 0.300 . 1 . . . . 67 PHE CA . 19669 1 221 . 1 1 67 67 PHE CB C 13 41.134 0.300 . 1 . . . . 67 PHE CB . 19669 1 222 . 1 1 67 67 PHE N N 15 127.684 0.300 . 1 . . . . 67 PHE N . 19669 1 223 . 1 1 68 68 ARG H H 1 7.731 0.020 . 1 . . . . 68 ARG H . 19669 1 224 . 1 1 68 68 ARG CA C 13 53.828 0.300 . 1 . . . . 68 ARG CA . 19669 1 225 . 1 1 68 68 ARG CB C 13 33.919 0.300 . 1 . . . . 68 ARG CB . 19669 1 226 . 1 1 68 68 ARG N N 15 125.699 0.300 . 1 . . . . 68 ARG N . 19669 1 227 . 1 1 71 71 ASN H H 1 8.293 0.020 . 1 . . . . 71 ASN H . 19669 1 228 . 1 1 71 71 ASN CA C 13 52.721 0.300 . 1 . . . . 71 ASN CA . 19669 1 229 . 1 1 71 71 ASN CB C 13 40.324 0.300 . 1 . . . . 71 ASN CB . 19669 1 230 . 1 1 71 71 ASN N N 15 113.555 0.300 . 1 . . . . 71 ASN N . 19669 1 231 . 1 1 72 72 ALA H H 1 6.840 0.020 . 1 . . . . 72 ALA H . 19669 1 232 . 1 1 72 72 ALA CA C 13 53.191 0.300 . 1 . . . . 72 ALA CA . 19669 1 233 . 1 1 72 72 ALA CB C 13 19.267 0.300 . 1 . . . . 72 ALA CB . 19669 1 234 . 1 1 72 72 ALA N N 15 122.587 0.300 . 1 . . . . 72 ALA N . 19669 1 235 . 1 1 73 73 GLU H H 1 8.664 0.020 . 1 . . . . 73 GLU H . 19669 1 236 . 1 1 73 73 GLU CA C 13 55.336 0.300 . 1 . . . . 73 GLU CA . 19669 1 237 . 1 1 73 73 GLU CB C 13 29.428 0.300 . 1 . . . . 73 GLU CB . 19669 1 238 . 1 1 73 73 GLU N N 15 126.589 0.300 . 1 . . . . 73 GLU N . 19669 1 239 . 1 1 74 74 LEU H H 1 8.509 0.020 . 1 . . . . 74 LEU H . 19669 1 240 . 1 1 74 74 LEU CA C 13 53.660 0.300 . 1 . . . . 74 LEU CA . 19669 1 241 . 1 1 74 74 LEU CB C 13 43.858 0.300 . 1 . . . . 74 LEU CB . 19669 1 242 . 1 1 74 74 LEU N N 15 126.128 0.300 . 1 . . . . 74 LEU N . 19669 1 243 . 1 1 75 75 LYS H H 1 9.137 0.020 . 1 . . . . 75 LYS H . 19669 1 244 . 1 1 75 75 LYS CA C 13 53.459 0.300 . 1 . . . . 75 LYS CA . 19669 1 245 . 1 1 75 75 LYS CB C 13 35.414 0.300 . 1 . . . . 75 LYS CB . 19669 1 246 . 1 1 75 75 LYS N N 15 119.891 0.300 . 1 . . . . 75 LYS N . 19669 1 247 . 1 1 76 76 LEU H H 1 8.572 0.020 . 1 . . . . 76 LEU H . 19669 1 248 . 1 1 76 76 LEU CA C 13 56.443 0.300 . 1 . . . . 76 LEU CA . 19669 1 249 . 1 1 76 76 LEU CB C 13 40.987 0.300 . 1 . . . . 76 LEU CB . 19669 1 250 . 1 1 76 76 LEU N N 15 120.012 0.300 . 1 . . . . 76 LEU N . 19669 1 251 . 1 1 77 77 GLY H H 1 8.888 0.020 . 1 . . . . 77 GLY H . 19669 1 252 . 1 1 77 77 GLY CA C 13 44.675 0.300 . 1 . . . . 77 GLY CA . 19669 1 253 . 1 1 77 77 GLY N N 15 112.374 0.300 . 1 . . . . 77 GLY N . 19669 1 254 . 1 1 78 78 ASP H H 1 8.121 0.020 . 1 . . . . 78 ASP H . 19669 1 255 . 1 1 78 78 ASP CA C 13 55.739 0.300 . 1 . . . . 78 ASP CA . 19669 1 256 . 1 1 78 78 ASP CB C 13 42.238 0.300 . 1 . . . . 78 ASP CB . 19669 1 257 . 1 1 78 78 ASP N N 15 122.081 0.300 . 1 . . . . 78 ASP N . 19669 1 258 . 1 1 79 79 LYS H H 1 8.547 0.020 . 1 . . . . 79 LYS H . 19669 1 259 . 1 1 79 79 LYS CA C 13 54.129 0.300 . 1 . . . . 79 LYS CA . 19669 1 260 . 1 1 79 79 LYS CB C 13 36.275 0.300 . 1 . . . . 79 LYS CB . 19669 1 261 . 1 1 79 79 LYS N N 15 118.644 0.300 . 1 . . . . 79 LYS N . 19669 1 262 . 1 1 80 80 ILE H H 1 9.322 0.020 . 1 . . . . 80 ILE H . 19669 1 263 . 1 1 80 80 ILE CA C 13 59.929 0.300 . 1 . . . . 80 ILE CA . 19669 1 264 . 1 1 80 80 ILE CB C 13 40.471 0.300 . 1 . . . . 80 ILE CB . 19669 1 265 . 1 1 80 80 ILE N N 15 122.271 0.300 . 1 . . . . 80 ILE N . 19669 1 266 . 1 1 81 81 TYR H H 1 8.933 0.020 . 1 . . . . 81 TYR H . 19669 1 267 . 1 1 81 81 TYR CA C 13 56.443 0.300 . 1 . . . . 81 TYR CA . 19669 1 268 . 1 1 81 81 TYR CB C 13 39.735 0.300 . 1 . . . . 81 TYR CB . 19669 1 269 . 1 1 81 81 TYR N N 15 128.266 0.300 . 1 . . . . 81 TYR N . 19669 1 270 . 1 1 82 82 PHE H H 1 8.745 0.020 . 1 . . . . 82 PHE H . 19669 1 271 . 1 1 82 82 PHE CA C 13 56.522 0.300 . 1 . . . . 82 PHE CA . 19669 1 272 . 1 1 82 82 PHE CB C 13 44.889 0.300 . 1 . . . . 82 PHE CB . 19669 1 273 . 1 1 82 82 PHE N N 15 119.454 0.300 . 1 . . . . 82 PHE N . 19669 1 274 . 1 1 83 83 TRP H H 1 9.286 0.020 . 1 . . . . 83 TRP H . 19669 1 275 . 1 1 83 83 TRP CA C 13 56.208 0.300 . 1 . . . . 83 TRP CA . 19669 1 276 . 1 1 83 83 TRP CB C 13 31.416 0.300 . 1 . . . . 83 TRP CB . 19669 1 277 . 1 1 83 83 TRP N N 15 117.955 0.300 . 1 . . . . 83 TRP N . 19669 1 278 . 1 1 84 84 THR H H 1 8.927 0.020 . 1 . . . . 84 THR H . 19669 1 279 . 1 1 84 84 THR CA C 13 58.286 0.300 . 1 . . . . 84 THR CA . 19669 1 280 . 1 1 84 84 THR CB C 13 71.541 0.300 . 1 . . . . 84 THR CB . 19669 1 281 . 1 1 84 84 THR N N 15 109.109 0.300 . 1 . . . . 84 THR N . 19669 1 282 . 1 1 85 85 TYR H H 1 8.396 0.020 . 1 . . . . 85 TYR H . 19669 1 283 . 1 1 85 85 TYR CA C 13 55.504 0.300 . 1 . . . . 85 TYR CA . 19669 1 284 . 1 1 85 85 TYR CB C 13 44.005 0.300 . 1 . . . . 85 TYR CB . 19669 1 285 . 1 1 85 85 TYR N N 15 119.727 0.300 . 1 . . . . 85 TYR N . 19669 1 286 . 1 1 86 86 VAL H H 1 8.650 0.020 . 1 . . . . 86 VAL H . 19669 1 287 . 1 1 86 86 VAL CA C 13 57.851 0.300 . 1 . . . . 86 VAL CA . 19669 1 288 . 1 1 86 86 VAL CB C 13 35.612 0.300 . 1 . . . . 86 VAL CB . 19669 1 289 . 1 1 86 86 VAL N N 15 119.585 0.300 . 1 . . . . 86 VAL N . 19669 1 290 . 1 1 87 87 ILE H H 1 6.762 0.020 . 1 . . . . 87 ILE H . 19669 1 291 . 1 1 87 87 ILE CA C 13 59.326 0.300 . 1 . . . . 87 ILE CA . 19669 1 292 . 1 1 87 87 ILE CB C 13 38.115 0.300 . 1 . . . . 87 ILE CB . 19669 1 293 . 1 1 87 87 ILE N N 15 118.084 0.300 . 1 . . . . 87 ILE N . 19669 1 294 . 1 1 88 88 LYS H H 1 9.280 0.020 . 1 . . . . 88 LYS H . 19669 1 295 . 1 1 88 88 LYS CA C 13 54.934 0.300 . 1 . . . . 88 LYS CA . 19669 1 296 . 1 1 88 88 LYS CB C 13 36.201 0.300 . 1 . . . . 88 LYS CB . 19669 1 297 . 1 1 88 88 LYS N N 15 128.631 0.300 . 1 . . . . 88 LYS N . 19669 1 298 . 1 1 89 89 ASP H H 1 9.819 0.020 . 1 . . . . 89 ASP H . 19669 1 299 . 1 1 89 89 ASP CA C 13 55.269 0.300 . 1 . . . . 89 ASP CA . 19669 1 300 . 1 1 89 89 ASP N N 15 130.065 0.300 . 1 . . . . 89 ASP N . 19669 1 301 . 1 1 90 90 GLY H H 1 8.148 0.020 . 1 . . . . 90 GLY H . 19669 1 302 . 1 1 90 90 GLY CA C 13 45.178 0.300 . 1 . . . . 90 GLY CA . 19669 1 303 . 1 1 90 90 GLY N N 15 101.782 0.300 . 1 . . . . 90 GLY N . 19669 1 304 . 1 1 91 91 LEU H H 1 7.579 0.020 . 1 . . . . 91 LEU H . 19669 1 305 . 1 1 91 91 LEU CA C 13 53.124 0.300 . 1 . . . . 91 LEU CA . 19669 1 306 . 1 1 91 91 LEU CB C 13 43.858 0.300 . 1 . . . . 91 LEU CB . 19669 1 307 . 1 1 91 91 LEU N N 15 123.067 0.300 . 1 . . . . 91 LEU N . 19669 1 308 . 1 1 92 92 GLY H H 1 8.056 0.020 . 1 . . . . 92 GLY H . 19669 1 309 . 1 1 92 92 GLY CA C 13 44.206 0.300 . 1 . . . . 92 GLY CA . 19669 1 310 . 1 1 92 92 GLY N N 15 107.145 0.300 . 1 . . . . 92 GLY N . 19669 1 311 . 1 1 93 93 TYR H H 1 8.730 0.020 . 1 . . . . 93 TYR H . 19669 1 312 . 1 1 93 93 TYR CA C 13 56.878 0.300 . 1 . . . . 93 TYR CA . 19669 1 313 . 1 1 93 93 TYR CB C 13 42.754 0.300 . 1 . . . . 93 TYR CB . 19669 1 314 . 1 1 93 93 TYR N N 15 122.473 0.300 . 1 . . . . 93 TYR N . 19669 1 315 . 1 1 94 94 ARG H H 1 8.703 0.020 . 1 . . . . 94 ARG H . 19669 1 316 . 1 1 94 94 ARG CA C 13 54.699 0.300 . 1 . . . . 94 ARG CA . 19669 1 317 . 1 1 94 94 ARG CB C 13 34.802 0.300 . 1 . . . . 94 ARG CB . 19669 1 318 . 1 1 94 94 ARG N N 15 116.882 0.300 . 1 . . . . 94 ARG N . 19669 1 319 . 1 1 95 95 GLN H H 1 7.818 0.020 . 1 . . . . 95 GLN H . 19669 1 320 . 1 1 95 95 GLN CA C 13 56.443 0.300 . 1 . . . . 95 GLN CA . 19669 1 321 . 1 1 95 95 GLN CB C 13 27.661 0.300 . 1 . . . . 95 GLN CB . 19669 1 322 . 1 1 95 95 GLN N N 15 123.291 0.300 . 1 . . . . 95 GLN N . 19669 1 323 . 1 1 96 96 ASP H H 1 8.461 0.020 . 1 . . . . 96 ASP H . 19669 1 324 . 1 1 96 96 ASP CA C 13 53.291 0.300 . 1 . . . . 96 ASP CA . 19669 1 325 . 1 1 96 96 ASP CB C 13 44.005 0.300 . 1 . . . . 96 ASP CB . 19669 1 326 . 1 1 96 96 ASP N N 15 124.021 0.300 . 1 . . . . 96 ASP N . 19669 1 327 . 1 1 97 97 ASN H H 1 9.005 0.020 . 1 . . . . 97 ASN H . 19669 1 328 . 1 1 97 97 ASN CA C 13 54.230 0.300 . 1 . . . . 97 ASN CA . 19669 1 329 . 1 1 97 97 ASN CB C 13 36.937 0.300 . 1 . . . . 97 ASN CB . 19669 1 330 . 1 1 97 97 ASN N N 15 113.468 0.300 . 1 . . . . 97 ASN N . 19669 1 331 . 1 1 98 98 GLY H H 1 8.062 0.020 . 1 . . . . 98 GLY H . 19669 1 332 . 1 1 98 98 GLY CA C 13 45.078 0.300 . 1 . . . . 98 GLY CA . 19669 1 333 . 1 1 98 98 GLY N N 15 106.879 0.300 . 1 . . . . 98 GLY N . 19669 1 334 . 1 1 99 99 GLU H H 1 8.421 0.020 . 1 . . . . 99 GLU H . 19669 1 335 . 1 1 99 99 GLU CA C 13 55.839 0.300 . 1 . . . . 99 GLU CA . 19669 1 336 . 1 1 99 99 GLU CB C 13 33.109 0.300 . 1 . . . . 99 GLU CB . 19669 1 337 . 1 1 99 99 GLU N N 15 126.966 0.300 . 1 . . . . 99 GLU N . 19669 1 338 . 1 1 100 100 TRP H H 1 9.115 0.020 . 1 . . . . 100 TRP H . 19669 1 339 . 1 1 100 100 TRP CA C 13 57.247 0.300 . 1 . . . . 100 TRP CA . 19669 1 340 . 1 1 100 100 TRP CB C 13 32.667 0.300 . 1 . . . . 100 TRP CB . 19669 1 341 . 1 1 100 100 TRP N N 15 129.035 0.300 . 1 . . . . 100 TRP N . 19669 1 342 . 1 1 101 101 THR H H 1 7.370 0.020 . 1 . . . . 101 THR H . 19669 1 343 . 1 1 101 101 THR CA C 13 60.365 0.300 . 1 . . . . 101 THR CA . 19669 1 344 . 1 1 101 101 THR CB C 13 69.995 0.300 . 1 . . . . 101 THR CB . 19669 1 345 . 1 1 101 101 THR N N 15 122.779 0.300 . 1 . . . . 101 THR N . 19669 1 346 . 1 1 102 102 VAL H H 1 8.469 0.020 . 1 . . . . 102 VAL H . 19669 1 347 . 1 1 102 102 VAL CA C 13 62.812 0.300 . 1 . . . . 102 VAL CA . 19669 1 348 . 1 1 102 102 VAL CB C 13 30.679 0.300 . 1 . . . . 102 VAL CB . 19669 1 349 . 1 1 102 102 VAL N N 15 125.225 0.300 . 1 . . . . 102 VAL N . 19669 1 350 . 1 1 103 103 THR H H 1 8.831 0.020 . 1 . . . . 103 THR H . 19669 1 351 . 1 1 103 103 THR CA C 13 61.572 0.300 . 1 . . . . 103 THR CA . 19669 1 352 . 1 1 103 103 THR CB C 13 69.848 0.300 . 1 . . . . 103 THR CB . 19669 1 353 . 1 1 103 103 THR N N 15 120.743 0.300 . 1 . . . . 103 THR N . 19669 1 354 . 1 1 104 104 GLU H H 1 7.657 0.020 . 1 . . . . 104 GLU H . 19669 1 355 . 1 1 104 104 GLU CA C 13 54.599 0.300 . 1 . . . . 104 GLU CA . 19669 1 356 . 1 1 104 104 GLU CB C 13 30.826 0.300 . 1 . . . . 104 GLU CB . 19669 1 357 . 1 1 104 104 GLU N N 15 118.519 0.300 . 1 . . . . 104 GLU N . 19669 1 358 . 1 1 105 105 PHE H H 1 8.747 0.020 . 1 . . . . 105 PHE H . 19669 1 359 . 1 1 105 105 PHE CA C 13 56.409 0.300 . 1 . . . . 105 PHE CA . 19669 1 360 . 1 1 105 105 PHE CB C 13 42.533 0.300 . 1 . . . . 105 PHE CB . 19669 1 361 . 1 1 105 105 PHE N N 15 118.425 0.300 . 1 . . . . 105 PHE N . 19669 1 362 . 1 1 106 106 VAL H H 1 9.090 0.020 . 1 . . . . 106 VAL H . 19669 1 363 . 1 1 106 106 VAL CA C 13 59.393 0.300 . 1 . . . . 106 VAL CA . 19669 1 364 . 1 1 106 106 VAL CB C 13 34.581 0.300 . 1 . . . . 106 VAL CB . 19669 1 365 . 1 1 106 106 VAL N N 15 116.171 0.300 . 1 . . . . 106 VAL N . 19669 1 366 . 1 1 107 107 ASN H H 1 8.674 0.020 . 1 . . . . 107 ASN H . 19669 1 367 . 1 1 107 107 ASN CA C 13 52.118 0.300 . 1 . . . . 107 ASN CA . 19669 1 368 . 1 1 107 107 ASN CB C 13 39.293 0.300 . 1 . . . . 107 ASN CB . 19669 1 369 . 1 1 107 107 ASN N N 15 119.952 0.300 . 1 . . . . 107 ASN N . 19669 1 370 . 1 1 108 108 GLU H H 1 8.866 0.020 . 1 . . . . 108 GLU H . 19669 1 371 . 1 1 108 108 GLU CA C 13 58.387 0.300 . 1 . . . . 108 GLU CA . 19669 1 372 . 1 1 108 108 GLU CB C 13 29.575 0.300 . 1 . . . . 108 GLU CB . 19669 1 373 . 1 1 108 108 GLU N N 15 121.734 0.300 . 1 . . . . 108 GLU N . 19669 1 374 . 1 1 109 109 ASN H H 1 8.325 0.020 . 1 . . . . 109 ASN H . 19669 1 375 . 1 1 109 109 ASN CA C 13 53.090 0.300 . 1 . . . . 109 ASN CA . 19669 1 376 . 1 1 109 109 ASN CB C 13 38.180 0.300 . 1 . . . . 109 ASN CB . 19669 1 377 . 1 1 109 109 ASN N N 15 116.273 0.300 . 1 . . . . 109 ASN N . 19669 1 378 . 1 1 110 110 GLY H H 1 8.393 0.020 . 1 . . . . 110 GLY H . 19669 1 379 . 1 1 110 110 GLY CA C 13 45.011 0.300 . 1 . . . . 110 GLY CA . 19669 1 380 . 1 1 110 110 GLY N N 15 108.144 0.300 . 1 . . . . 110 GLY N . 19669 1 381 . 1 1 111 111 THR H H 1 7.932 0.020 . 1 . . . . 111 THR H . 19669 1 382 . 1 1 111 111 THR CA C 13 61.404 0.300 . 1 . . . . 111 THR CA . 19669 1 383 . 1 1 111 111 THR CB C 13 69.701 0.300 . 1 . . . . 111 THR CB . 19669 1 384 . 1 1 111 111 THR N N 15 114.222 0.300 . 1 . . . . 111 THR N . 19669 1 385 . 1 1 112 112 LEU H H 1 8.319 0.020 . 1 . . . . 112 LEU H . 19669 1 386 . 1 1 112 112 LEU CA C 13 55.604 0.300 . 1 . . . . 112 LEU CA . 19669 1 387 . 1 1 112 112 LEU CB C 13 42.312 0.300 . 1 . . . . 112 LEU CB . 19669 1 388 . 1 1 112 112 LEU N N 15 123.759 0.300 . 1 . . . . 112 LEU N . 19669 1 389 . 1 1 113 113 GLU H H 1 8.374 0.020 . 1 . . . . 113 GLU H . 19669 1 390 . 1 1 113 113 GLU CA C 13 55.880 0.300 . 1 . . . . 113 GLU CA . 19669 1 391 . 1 1 113 113 GLU CB C 13 30.311 0.300 . 1 . . . . 113 GLU CB . 19669 1 392 . 1 1 113 113 GLU N N 15 123.285 0.300 . 1 . . . . 113 GLU N . 19669 1 393 . 1 1 114 114 HIS H H 1 7.962 0.020 . 1 . . . . 114 HIS H . 19669 1 394 . 1 1 114 114 HIS CA C 13 57.247 0.300 . 1 . . . . 114 HIS CA . 19669 1 395 . 1 1 114 114 HIS CB C 13 30.385 0.300 . 1 . . . . 114 HIS CB . 19669 1 396 . 1 1 114 114 HIS N N 15 125.532 0.300 . 1 . . . . 114 HIS N . 19669 1 stop_ save_