data_16299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16299 _Entry.Title ; NMR assignment of a 48 kDa tetramer of the T1 domain of the mammalian voltage gated potassium channel Kv1.4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-13 _Entry.Accession_date 2009-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Christina Schreier . . . 16299 2 Alexandra Auer . . . 16299 3 'Hans Robert' Kalbitzer . . . 16299 4 Werner Kremer . . . 16299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 16299 '15N chemical shifts' 90 16299 '1H chemical shifts' 90 16299 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 . . 2009-11-13 2009-05-13 update BMRB 'complete entry citation' 16299 1 . . 2009-07-22 2009-05-13 original author 'original release' 16299 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-009-9166-4 _Citation.PubMed_ID 19888682 _Citation.Full_citation . _Citation.Title 'NMR assignments of a 48 kDa tetramer of the T1 domain of the mammalian voltage gated potassium channel Kv1.4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 167 _Citation.Page_last 170 _Citation.Year 2009 _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 Christina Schreier . . . 16299 1 2 Alexandra Auer . . . 16299 1 3 'Hans Robert' Kalbitzer . . . 16299 1 4 Werner Kremer . . . 16299 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR resonance assignments' 16299 1 'T1 domain' 16299 1 'Voltage gated potassium channel' 16299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16299 _Assembly.ID 1 _Assembly.Name 'T1 domain tetramer' _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 48000 _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 'T1 domain' 1 $T1_domain_of_Kv1.4 A . yes native no no . . . 16299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T1_domain_of_Kv1.4 _Entity.Sf_category entity _Entity.Sf_framecode T1_domain_of_Kv1.4 _Entity.Entry_ID 16299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T1_domain_of_Kv1.4 _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 ; MERVVINVSGLRFETQMKTL AQFPETLLGDPEKRTQYFDP LRNEYFFDRNRPSFDAILYY YQSGGRLKRPVNVPFDIFTE EVKFYQLGKLAAALEHHHHH H ; _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 101 _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 2015-11-25 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 no GB EHB17201 . "Potassium voltage-gated channel subfamily A member 4 [Heterocephalus glaber]" . . . . . 89.11 727 97.78 98.89 5.55e-54 . . . . 16299 1 2 no GB ELR56484 . "Potassium voltage-gated channel subfamily A member 4, partial [Bos mutus]" . . . . . 89.11 480 97.78 98.89 6.90e-55 . . . . 16299 1 3 no REF XP_003773706 . "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Sarcophilus harrisii]" . . . . . 89.11 658 97.78 98.89 3.62e-53 . . . . 16299 1 4 no REF XP_007497268 . "PREDICTED: LOW QUALITY PROTEIN: potassium voltage-gated channel subfamily A member 4 [Monodelphis domestica]" . . . . . 89.11 659 97.78 98.89 3.47e-53 . . . . 16299 1 5 no REF XP_007657298 . "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" . . . . . 89.11 661 97.78 98.89 2.17e-53 . . . . 16299 1 6 no REF XP_007657303 . "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" . . . . . 89.11 661 97.78 98.89 2.17e-53 . . . . 16299 1 7 no REF XP_007657307 . "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Ornithorhynchus anatinus]" . . . . . 89.11 661 97.78 98.89 2.17e-53 . . . . 16299 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 . 16299 1 2 . GLU . 16299 1 3 . ARG . 16299 1 4 . VAL . 16299 1 5 . VAL . 16299 1 6 . ILE . 16299 1 7 . ASN . 16299 1 8 . VAL . 16299 1 9 . SER . 16299 1 10 . GLY . 16299 1 11 . LEU . 16299 1 12 . ARG . 16299 1 13 . PHE . 16299 1 14 . GLU . 16299 1 15 . THR . 16299 1 16 . GLN . 16299 1 17 . MET . 16299 1 18 . LYS . 16299 1 19 . THR . 16299 1 20 . LEU . 16299 1 21 . ALA . 16299 1 22 . GLN . 16299 1 23 . PHE . 16299 1 24 . PRO . 16299 1 25 . GLU . 16299 1 26 . THR . 16299 1 27 . LEU . 16299 1 28 . LEU . 16299 1 29 . GLY . 16299 1 30 . ASP . 16299 1 31 . PRO . 16299 1 32 . GLU . 16299 1 33 . LYS . 16299 1 34 . ARG . 16299 1 35 . THR . 16299 1 36 . GLN . 16299 1 37 . TYR . 16299 1 38 . PHE . 16299 1 39 . ASP . 16299 1 40 . PRO . 16299 1 41 . LEU . 16299 1 42 . ARG . 16299 1 43 . ASN . 16299 1 44 . GLU . 16299 1 45 . TYR . 16299 1 46 . PHE . 16299 1 47 . PHE . 16299 1 48 . ASP . 16299 1 49 . ARG . 16299 1 50 . ASN . 16299 1 51 . ARG . 16299 1 52 . PRO . 16299 1 53 . SER . 16299 1 54 . PHE . 16299 1 55 . ASP . 16299 1 56 . ALA . 16299 1 57 . ILE . 16299 1 58 . LEU . 16299 1 59 . TYR . 16299 1 60 . TYR . 16299 1 61 . TYR . 16299 1 62 . GLN . 16299 1 63 . SER . 16299 1 64 . GLY . 16299 1 65 . GLY . 16299 1 66 . ARG . 16299 1 67 . LEU . 16299 1 68 . LYS . 16299 1 69 . ARG . 16299 1 70 . PRO . 16299 1 71 . VAL . 16299 1 72 . ASN . 16299 1 73 . VAL . 16299 1 74 . PRO . 16299 1 75 . PHE . 16299 1 76 . ASP . 16299 1 77 . ILE . 16299 1 78 . PHE . 16299 1 79 . THR . 16299 1 80 . GLU . 16299 1 81 . GLU . 16299 1 82 . VAL . 16299 1 83 . LYS . 16299 1 84 . PHE . 16299 1 85 . TYR . 16299 1 86 . GLN . 16299 1 87 . LEU . 16299 1 88 . GLY . 16299 1 89 . LYS . 16299 1 90 . LEU . 16299 1 91 . ALA . 16299 1 92 . ALA . 16299 1 93 . ALA . 16299 1 94 . LEU . 16299 1 95 . GLU . 16299 1 96 . HIS . 16299 1 97 . HIS . 16299 1 98 . HIS . 16299 1 99 . HIS . 16299 1 100 . HIS . 16299 1 101 . HIS . 16299 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 16299 1 . GLU 2 2 16299 1 . ARG 3 3 16299 1 . VAL 4 4 16299 1 . VAL 5 5 16299 1 . ILE 6 6 16299 1 . ASN 7 7 16299 1 . VAL 8 8 16299 1 . SER 9 9 16299 1 . GLY 10 10 16299 1 . LEU 11 11 16299 1 . ARG 12 12 16299 1 . PHE 13 13 16299 1 . GLU 14 14 16299 1 . THR 15 15 16299 1 . GLN 16 16 16299 1 . MET 17 17 16299 1 . LYS 18 18 16299 1 . THR 19 19 16299 1 . LEU 20 20 16299 1 . ALA 21 21 16299 1 . GLN 22 22 16299 1 . PHE 23 23 16299 1 . PRO 24 24 16299 1 . GLU 25 25 16299 1 . THR 26 26 16299 1 . LEU 27 27 16299 1 . LEU 28 28 16299 1 . GLY 29 29 16299 1 . ASP 30 30 16299 1 . PRO 31 31 16299 1 . GLU 32 32 16299 1 . LYS 33 33 16299 1 . ARG 34 34 16299 1 . THR 35 35 16299 1 . GLN 36 36 16299 1 . TYR 37 37 16299 1 . PHE 38 38 16299 1 . ASP 39 39 16299 1 . PRO 40 40 16299 1 . LEU 41 41 16299 1 . ARG 42 42 16299 1 . ASN 43 43 16299 1 . GLU 44 44 16299 1 . TYR 45 45 16299 1 . PHE 46 46 16299 1 . PHE 47 47 16299 1 . ASP 48 48 16299 1 . ARG 49 49 16299 1 . ASN 50 50 16299 1 . ARG 51 51 16299 1 . PRO 52 52 16299 1 . SER 53 53 16299 1 . PHE 54 54 16299 1 . ASP 55 55 16299 1 . ALA 56 56 16299 1 . ILE 57 57 16299 1 . LEU 58 58 16299 1 . TYR 59 59 16299 1 . TYR 60 60 16299 1 . TYR 61 61 16299 1 . GLN 62 62 16299 1 . SER 63 63 16299 1 . GLY 64 64 16299 1 . GLY 65 65 16299 1 . ARG 66 66 16299 1 . LEU 67 67 16299 1 . LYS 68 68 16299 1 . ARG 69 69 16299 1 . PRO 70 70 16299 1 . VAL 71 71 16299 1 . ASN 72 72 16299 1 . VAL 73 73 16299 1 . PRO 74 74 16299 1 . PHE 75 75 16299 1 . ASP 76 76 16299 1 . ILE 77 77 16299 1 . PHE 78 78 16299 1 . THR 79 79 16299 1 . GLU 80 80 16299 1 . GLU 81 81 16299 1 . VAL 82 82 16299 1 . LYS 83 83 16299 1 . PHE 84 84 16299 1 . TYR 85 85 16299 1 . GLN 86 86 16299 1 . LEU 87 87 16299 1 . GLY 88 88 16299 1 . LYS 89 89 16299 1 . LEU 90 90 16299 1 . ALA 91 91 16299 1 . ALA 92 92 16299 1 . ALA 93 93 16299 1 . LEU 94 94 16299 1 . GLU 95 95 16299 1 . HIS 96 96 16299 1 . HIS 97 97 16299 1 . HIS 98 98 16299 1 . HIS 99 99 16299 1 . HIS 100 100 16299 1 . HIS 101 101 16299 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 16299 _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 $T1_domain_of_Kv1.4 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16299 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 16299 _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 $T1_domain_of_Kv1.4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20b . . . . . . 16299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16299 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'T1 domain of Kv1.4' '[U-13C; U-15N; U-2H]' . . 1 $T1_domain_of_Kv1.4 . . 1 . . mM . . . . 16299 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16299 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16299 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 16299 _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' 150 . mM 16299 1 pH 6.5 . pH 16299 1 pressure 1 . atm 16299 1 temperature 293 . K 16299 1 stop_ save_ ############################ # Computer software used # ############################ save_Auremol _Software.Sf_category software _Software.Sf_framecode Auremol _Software.Entry_ID 16299 _Software.ID 1 _Software.Name AUREMOL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16299 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16299 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16299 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16299 _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 Bruker Avance . 800 . . . 16299 1 2 spectrometer_2 Bruker Avance . 600 . . . 16299 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 16299 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16299 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16299 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16299 1 4 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16299 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 16299 _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 . indirect 0.251449530 . . . . . . . . . 16299 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16299 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16299 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 16299 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D HNCA' . . . 16299 1 2 '3D HN(CO)CA' . . . 16299 1 3 '3D HN(CO)CACB' . . . 16299 1 4 '3D HN(CA)NNH' . . . 16299 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 2 2 GLU C C 13 175.0 0.3 . 1 . . . . 2 GLU C . 16299 1 2 . 1 1 2 2 GLU CA C 13 56.8 0.3 . 1 . . . . 2 GLU CA . 16299 1 3 . 1 1 2 2 GLU CB C 13 29.4 0.3 . 1 . . . . 2 GLU CB . 16299 1 4 . 1 1 3 3 ARG H H 1 7.30 0.01 . 1 . . . . 3 ARG H . 16299 1 5 . 1 1 3 3 ARG C C 13 175.3 0.3 . 1 . . . . 3 ARG C . 16299 1 6 . 1 1 3 3 ARG CA C 13 55.0 0.3 . 1 . . . . 3 ARG CA . 16299 1 7 . 1 1 3 3 ARG CB C 13 30.6 0.3 . 1 . . . . 3 ARG CB . 16299 1 8 . 1 1 3 3 ARG N N 15 112.9 0.1 . 1 . . . . 3 ARG N . 16299 1 9 . 1 1 4 4 VAL H H 1 8.91 0.01 . 1 . . . . 4 VAL H . 16299 1 10 . 1 1 4 4 VAL C C 13 173.4 0.3 . 1 . . . . 4 VAL C . 16299 1 11 . 1 1 4 4 VAL CA C 13 60.8 0.3 . 1 . . . . 4 VAL CA . 16299 1 12 . 1 1 4 4 VAL CB C 13 32.9 0.3 . 1 . . . . 4 VAL CB . 16299 1 13 . 1 1 4 4 VAL N N 15 123.0 0.1 . 1 . . . . 4 VAL N . 16299 1 14 . 1 1 5 5 VAL H H 1 8.84 0.01 . 1 . . . . 5 VAL H . 16299 1 15 . 1 1 5 5 VAL C C 13 175.0 0.3 . 1 . . . . 5 VAL C . 16299 1 16 . 1 1 5 5 VAL CA C 13 60.4 0.3 . 1 . . . . 5 VAL CA . 16299 1 17 . 1 1 5 5 VAL CB C 13 31.7 0.3 . 1 . . . . 5 VAL CB . 16299 1 18 . 1 1 5 5 VAL N N 15 126.2 0.1 . 1 . . . . 5 VAL N . 16299 1 19 . 1 1 6 6 ILE H H 1 9.51 0.01 . 1 . . . . 6 ILE H . 16299 1 20 . 1 1 6 6 ILE C C 13 172.9 0.3 . 1 . . . . 6 ILE C . 16299 1 21 . 1 1 6 6 ILE CA C 13 60.8 0.3 . 1 . . . . 6 ILE CA . 16299 1 22 . 1 1 6 6 ILE CB C 13 39.4 0.3 . 1 . . . . 6 ILE CB . 16299 1 23 . 1 1 6 6 ILE N N 15 128.2 0.1 . 1 . . . . 6 ILE N . 16299 1 24 . 1 1 7 7 ASN H H 1 9.74 0.01 . 1 . . . . 7 ASN H . 16299 1 25 . 1 1 7 7 ASN C C 13 173.9 0.3 . 1 . . . . 7 ASN C . 16299 1 26 . 1 1 7 7 ASN CA C 13 50.3 0.3 . 1 . . . . 7 ASN CA . 16299 1 27 . 1 1 7 7 ASN CB C 13 38.3 0.3 . 1 . . . . 7 ASN CB . 16299 1 28 . 1 1 7 7 ASN N N 15 127.9 0.1 . 1 . . . . 7 ASN N . 16299 1 29 . 1 1 8 8 VAL H H 1 8.97 0.01 . 1 . . . . 8 VAL H . 16299 1 30 . 1 1 8 8 VAL C C 13 176.8 0.3 . 1 . . . . 8 VAL C . 16299 1 31 . 1 1 8 8 VAL CA C 13 60.4 0.3 . 1 . . . . 8 VAL CA . 16299 1 32 . 1 1 8 8 VAL CB C 13 29.6 0.3 . 1 . . . . 8 VAL CB . 16299 1 33 . 1 1 8 8 VAL N N 15 125.4 0.1 . 1 . . . . 8 VAL N . 16299 1 34 . 1 1 9 9 SER H H 1 8.69 0.01 . 1 . . . . 9 SER H . 16299 1 35 . 1 1 9 9 SER C C 13 177.6 0.3 . 1 . . . . 9 SER C . 16299 1 36 . 1 1 9 9 SER CA C 13 59.0 0.3 . 1 . . . . 9 SER CA . 16299 1 37 . 1 1 9 9 SER CB C 13 62.0 0.3 . 1 . . . . 9 SER CB . 16299 1 38 . 1 1 9 9 SER N N 15 118.3 0.1 . 1 . . . . 9 SER N . 16299 1 39 . 1 1 10 10 GLY H H 1 9.01 0.01 . 1 . . . . 10 GLY H . 16299 1 40 . 1 1 10 10 GLY C C 13 172.7 0.3 . 1 . . . . 10 GLY C . 16299 1 41 . 1 1 10 10 GLY CA C 13 44.8 0.3 . 1 . . . . 10 GLY CA . 16299 1 42 . 1 1 10 10 GLY N N 15 111.3 0.1 . 1 . . . . 10 GLY N . 16299 1 43 . 1 1 11 11 LEU H H 1 8.45 0.01 . 1 . . . . 11 LEU H . 16299 1 44 . 1 1 11 11 LEU C C 13 174.3 0.3 . 1 . . . . 11 LEU C . 16299 1 45 . 1 1 11 11 LEU CA C 13 53.3 0.3 . 1 . . . . 11 LEU CA . 16299 1 46 . 1 1 11 11 LEU CB C 13 41.3 0.3 . 1 . . . . 11 LEU CB . 16299 1 47 . 1 1 11 11 LEU N N 15 127.3 0.1 . 1 . . . . 11 LEU N . 16299 1 48 . 1 1 12 12 ARG H H 1 8.26 0.01 . 1 . . . . 12 ARG H . 16299 1 49 . 1 1 12 12 ARG C C 13 175.8 0.3 . 1 . . . . 12 ARG C . 16299 1 50 . 1 1 12 12 ARG CA C 13 56.3 0.3 . 1 . . . . 12 ARG CA . 16299 1 51 . 1 1 12 12 ARG CB C 13 30.0 0.3 . 1 . . . . 12 ARG CB . 16299 1 52 . 1 1 12 12 ARG N N 15 125.8 0.1 . 1 . . . . 12 ARG N . 16299 1 53 . 1 1 13 13 PHE H H 1 9.97 0.01 . 1 . . . . 13 PHE H . 16299 1 54 . 1 1 13 13 PHE C C 13 174.1 0.3 . 1 . . . . 13 PHE C . 16299 1 55 . 1 1 13 13 PHE CA C 13 56.3 0.3 . 1 . . . . 13 PHE CA . 16299 1 56 . 1 1 13 13 PHE CB C 13 40.1 0.3 . 1 . . . . 13 PHE CB . 16299 1 57 . 1 1 13 13 PHE N N 15 125.4 0.1 . 1 . . . . 13 PHE N . 16299 1 58 . 1 1 14 14 GLU H H 1 7.61 0.01 . 1 . . . . 14 GLU H . 16299 1 59 . 1 1 14 14 GLU C C 13 173.7 0.3 . 1 . . . . 14 GLU C . 16299 1 60 . 1 1 14 14 GLU CA C 13 53.8 0.3 . 1 . . . . 14 GLU CA . 16299 1 61 . 1 1 14 14 GLU CB C 13 33.6 0.3 . 1 . . . . 14 GLU CB . 16299 1 62 . 1 1 14 14 GLU N N 15 119.9 0.1 . 1 . . . . 14 GLU N . 16299 1 63 . 1 1 15 15 THR H H 1 8.43 0.01 . 1 . . . . 15 THR H . 16299 1 64 . 1 1 15 15 THR C C 13 173.4 0.3 . 1 . . . . 15 THR C . 16299 1 65 . 1 1 15 15 THR CA C 13 58.0 0.3 . 1 . . . . 15 THR CA . 16299 1 66 . 1 1 15 15 THR CB C 13 68.1 0.3 . 1 . . . . 15 THR CB . 16299 1 67 . 1 1 15 15 THR N N 15 113.7 0.1 . 1 . . . . 15 THR N . 16299 1 68 . 1 1 16 16 GLN H H 1 8.89 0.01 . 1 . . . . 16 GLN H . 16299 1 69 . 1 1 16 16 GLN C C 13 177.5 0.3 . 1 . . . . 16 GLN C . 16299 1 70 . 1 1 16 16 GLN CA C 13 53.9 0.3 . 1 . . . . 16 GLN CA . 16299 1 71 . 1 1 16 16 GLN CB C 13 30.1 0.3 . 1 . . . . 16 GLN CB . 16299 1 72 . 1 1 16 16 GLN N N 15 120.7 0.1 . 1 . . . . 16 GLN N . 16299 1 73 . 1 1 17 17 MET H H 1 9.07 0.01 . 1 . . . . 17 MET H . 16299 1 74 . 1 1 17 17 MET C C 13 179.6 0.3 . 1 . . . . 17 MET C . 16299 1 75 . 1 1 17 17 MET CA C 13 58.2 0.3 . 1 . . . . 17 MET CA . 16299 1 76 . 1 1 17 17 MET CB C 13 33.0 0.3 . 1 . . . . 17 MET CB . 16299 1 77 . 1 1 17 17 MET N N 15 124.8 0.1 . 1 . . . . 17 MET N . 16299 1 78 . 1 1 18 18 LYS H H 1 8.26 0.01 . 1 . . . . 18 LYS H . 16299 1 79 . 1 1 18 18 LYS CA C 13 57.8 . . 1 . . . . 18 LYS CA . 16299 1 80 . 1 1 18 18 LYS N N 15 114.8 0.1 . 1 . . . . 18 LYS N . 16299 1 81 . 1 1 19 19 THR H H 1 7.35 0.01 . 1 . . . . 19 THR H . 16299 1 82 . 1 1 19 19 THR CA C 13 65.4 0.3 . 1 . . . . 19 THR CA . 16299 1 83 . 1 1 19 19 THR N N 15 115.7 0.1 . 1 . . . . 19 THR N . 16299 1 84 . 1 1 20 20 LEU H H 1 7.11 0.01 . 1 . . . . 20 LEU H . 16299 1 85 . 1 1 20 20 LEU C C 13 178.4 0.3 . 1 . . . . 20 LEU C . 16299 1 86 . 1 1 20 20 LEU CA C 13 59.2 0.3 . 1 . . . . 20 LEU CA . 16299 1 87 . 1 1 20 20 LEU CB C 13 40.0 0.3 . 1 . . . . 20 LEU CB . 16299 1 88 . 1 1 20 20 LEU N N 15 119.7 0.1 . 1 . . . . 20 LEU N . 16299 1 89 . 1 1 21 21 ALA H H 1 7.33 0.01 . 1 . . . . 21 ALA H . 16299 1 90 . 1 1 21 21 ALA C C 13 171.4 0.3 . 1 . . . . 21 ALA C . 16299 1 91 . 1 1 21 21 ALA CA C 13 53.2 0.3 . 1 . . . . 21 ALA CA . 16299 1 92 . 1 1 21 21 ALA CB C 13 19.2 0.3 . 1 . . . . 21 ALA CB . 16299 1 93 . 1 1 21 21 ALA N N 15 118.1 0.1 . 1 . . . . 21 ALA N . 16299 1 94 . 1 1 22 22 GLN H H 1 7.11 0.01 . 1 . . . . 22 GLN H . 16299 1 95 . 1 1 22 22 GLN C C 13 176.8 0.3 . 1 . . . . 22 GLN C . 16299 1 96 . 1 1 22 22 GLN CA C 13 61.6 0.3 . 1 . . . . 22 GLN CA . 16299 1 97 . 1 1 22 22 GLN CB C 13 32.3 0.3 . 1 . . . . 22 GLN CB . 16299 1 98 . 1 1 22 22 GLN N N 15 120.3 0.1 . 1 . . . . 22 GLN N . 16299 1 99 . 1 1 23 23 PHE H H 1 7.75 0.01 . 1 . . . . 23 PHE H . 16299 1 100 . 1 1 23 23 PHE CA C 13 57.8 0.3 . 1 . . . . 23 PHE CA . 16299 1 101 . 1 1 23 23 PHE N N 15 116.9 0.1 . 1 . . . . 23 PHE N . 16299 1 102 . 1 1 24 24 PRO C C 13 179.6 0.3 . 1 . . . . 24 PRO C . 16299 1 103 . 1 1 24 24 PRO CB C 13 31.3 0.3 . 1 . . . . 24 PRO CB . 16299 1 104 . 1 1 25 25 GLU H H 1 8.40 0.01 . 1 . . . . 25 GLU H . 16299 1 105 . 1 1 25 25 GLU C C 13 177.6 0.3 . 1 . . . . 25 GLU C . 16299 1 106 . 1 1 25 25 GLU CA C 13 57.4 0.3 . 1 . . . . 25 GLU CA . 16299 1 107 . 1 1 25 25 GLU CB C 13 30.2 0.3 . 1 . . . . 25 GLU CB . 16299 1 108 . 1 1 25 25 GLU N N 15 114.9 0.1 . 1 . . . . 25 GLU N . 16299 1 109 . 1 1 26 26 THR H H 1 7.43 0.01 . 1 . . . . 26 THR H . 16299 1 110 . 1 1 26 26 THR C C 13 176.5 0.3 . 1 . . . . 26 THR C . 16299 1 111 . 1 1 26 26 THR CA C 13 64.8 0.3 . 1 . . . . 26 THR CA . 16299 1 112 . 1 1 26 26 THR CB C 13 67.0 0.3 . 1 . . . . 26 THR CB . 16299 1 113 . 1 1 26 26 THR N N 15 118.3 0.1 . 1 . . . . 26 THR N . 16299 1 114 . 1 1 27 27 LEU H H 1 6.84 0.01 . 1 . . . . 27 LEU H . 16299 1 115 . 1 1 27 27 LEU C C 13 178.7 0.3 . 1 . . . . 27 LEU C . 16299 1 116 . 1 1 27 27 LEU CA C 13 55.8 0.3 . 1 . . . . 27 LEU CA . 16299 1 117 . 1 1 27 27 LEU CB C 13 39.7 0.3 . 1 . . . . 27 LEU CB . 16299 1 118 . 1 1 27 27 LEU N N 15 118.8 0.1 . 1 . . . . 27 LEU N . 16299 1 119 . 1 1 28 28 LEU H H 1 6.81 0.01 . 1 . . . . 28 LEU H . 16299 1 120 . 1 1 28 28 LEU C C 13 177.2 0.3 . 1 . . . . 28 LEU C . 16299 1 121 . 1 1 28 28 LEU CA C 13 54.8 0.3 . 1 . . . . 28 LEU CA . 16299 1 122 . 1 1 28 28 LEU CB C 13 40.1 0.3 . 1 . . . . 28 LEU CB . 16299 1 123 . 1 1 28 28 LEU N N 15 115.4 0.1 . 1 . . . . 28 LEU N . 16299 1 124 . 1 1 29 29 GLY H H 1 7.34 0.01 . 1 . . . . 29 GLY H . 16299 1 125 . 1 1 29 29 GLY C C 13 171.7 0.3 . 1 . . . . 29 GLY C . 16299 1 126 . 1 1 29 29 GLY CA C 13 44.3 0.3 . 1 . . . . 29 GLY CA . 16299 1 127 . 1 1 29 29 GLY N N 15 103.2 0.1 . 1 . . . . 29 GLY N . 16299 1 128 . 1 1 30 30 ASP H H 1 7.20 0.01 . 1 . . . . 30 ASP H . 16299 1 129 . 1 1 30 30 ASP CA C 13 49.5 0.3 . 1 . . . . 30 ASP CA . 16299 1 130 . 1 1 30 30 ASP N N 15 121.0 0.1 . 1 . . . . 30 ASP N . 16299 1 131 . 1 1 32 32 GLU C C 13 178.7 0.3 . 1 . . . . 32 GLU C . 16299 1 132 . 1 1 32 32 GLU CB C 13 27.5 0.3 . 1 . . . . 32 GLU CB . 16299 1 133 . 1 1 33 33 LYS H H 1 7.93 0.01 . 1 . . . . 33 LYS H . 16299 1 134 . 1 1 33 33 LYS CA C 13 57.6 0.3 . 1 . . . . 33 LYS CA . 16299 1 135 . 1 1 33 33 LYS CB C 13 26.7 0.3 . 1 . . . . 33 LYS CB . 16299 1 136 . 1 1 33 33 LYS N N 15 118.6 0.1 . 1 . . . . 33 LYS N . 16299 1 137 . 1 1 34 34 ARG H H 1 7.77 0.01 . 1 . . . . 34 ARG H . 16299 1 138 . 1 1 34 34 ARG C C 13 177.7 0.3 . 1 . . . . 34 ARG C . 16299 1 139 . 1 1 34 34 ARG CA C 13 56.9 0.3 . 1 . . . . 34 ARG CA . 16299 1 140 . 1 1 34 34 ARG CB C 13 28.4 0.3 . 1 . . . . 34 ARG CB . 16299 1 141 . 1 1 34 34 ARG N N 15 119.2 0.1 . 1 . . . . 34 ARG N . 16299 1 142 . 1 1 35 35 THR H H 1 7.43 0.01 . 1 . . . . 35 THR H . 16299 1 143 . 1 1 35 35 THR CA C 13 66.0 0.3 . 1 . . . . 35 THR CA . 16299 1 144 . 1 1 35 35 THR CB C 13 67.9 0.3 . 1 . . . . 35 THR CB . 16299 1 145 . 1 1 35 35 THR N N 15 115.5 0.1 . 1 . . . . 35 THR N . 16299 1 146 . 1 1 36 36 GLN H H 1 7.77 0.01 . 1 . . . . 36 GLN H . 16299 1 147 . 1 1 36 36 GLN C C 13 175.6 0.3 . 1 . . . . 36 GLN C . 16299 1 148 . 1 1 36 36 GLN CA C 13 56.9 0.3 . 1 . . . . 36 GLN CA . 16299 1 149 . 1 1 36 36 GLN CB C 13 27.2 0.3 . 1 . . . . 36 GLN CB . 16299 1 150 . 1 1 36 36 GLN N N 15 119.2 0.1 . 1 . . . . 36 GLN N . 16299 1 151 . 1 1 37 37 TYR H H 1 7.99 0.01 . 1 . . . . 37 TYR H . 16299 1 152 . 1 1 37 37 TYR C C 13 174.6 0.3 . 1 . . . . 37 TYR C . 16299 1 153 . 1 1 37 37 TYR CA C 13 56.9 0.3 . 1 . . . . 37 TYR CA . 16299 1 154 . 1 1 37 37 TYR CB C 13 37.3 0.3 . 1 . . . . 37 TYR CB . 16299 1 155 . 1 1 37 37 TYR N N 15 117.0 0.1 . 1 . . . . 37 TYR N . 16299 1 156 . 1 1 38 38 PHE H H 1 7.86 0.01 . 1 . . . . 38 PHE H . 16299 1 157 . 1 1 38 38 PHE C C 13 173.8 0.3 . 1 . . . . 38 PHE C . 16299 1 158 . 1 1 38 38 PHE CA C 13 57.0 0.3 . 1 . . . . 38 PHE CA . 16299 1 159 . 1 1 38 38 PHE CB C 13 38.7 0.3 . 1 . . . . 38 PHE CB . 16299 1 160 . 1 1 38 38 PHE N N 15 122.2 0.1 . 1 . . . . 38 PHE N . 16299 1 161 . 1 1 39 39 ASP H H 1 8.48 0.01 . 1 . . . . 39 ASP H . 16299 1 162 . 1 1 39 39 ASP CA C 13 48.3 0.3 . 1 . . . . 39 ASP CA . 16299 1 163 . 1 1 39 39 ASP N N 15 128.3 0.1 . 1 . . . . 39 ASP N . 16299 1 164 . 1 1 40 40 PRO C C 13 176.1 0.3 . 1 . . . . 40 PRO C . 16299 1 165 . 1 1 40 40 PRO CB C 13 31.0 0.3 . 1 . . . . 40 PRO CB . 16299 1 166 . 1 1 41 41 LEU H H 1 9.44 0.01 . 1 . . . . 41 LEU H . 16299 1 167 . 1 1 41 41 LEU C C 13 174.6 0.3 . 1 . . . . 41 LEU C . 16299 1 168 . 1 1 41 41 LEU CA C 13 55.3 0.3 . 1 . . . . 41 LEU CA . 16299 1 169 . 1 1 41 41 LEU N N 15 119.2 0.1 . 1 . . . . 41 LEU N . 16299 1 170 . 1 1 42 42 ARG H H 1 8.83 0.01 . 1 . . . . 42 ARG H . 16299 1 171 . 1 1 42 42 ARG C C 13 174.3 0.3 . 1 . . . . 42 ARG C . 16299 1 172 . 1 1 42 42 ARG CA C 13 52.5 0.3 . 1 . . . . 42 ARG CA . 16299 1 173 . 1 1 42 42 ARG CB C 13 32.8 0.3 . 1 . . . . 42 ARG CB . 16299 1 174 . 1 1 42 42 ARG N N 15 129.1 0.1 . 1 . . . . 42 ARG N . 16299 1 175 . 1 1 43 43 ASN H H 1 8.76 0.01 . 1 . . . . 43 ASN H . 16299 1 176 . 1 1 43 43 ASN C C 13 174.5 0.3 . 1 . . . . 43 ASN C . 16299 1 177 . 1 1 43 43 ASN CA C 13 52.5 0.3 . 1 . . . . 43 ASN CA . 16299 1 178 . 1 1 43 43 ASN CB C 13 41.3 0.3 . 1 . . . . 43 ASN CB . 16299 1 179 . 1 1 43 43 ASN N N 15 127.1 0.1 . 1 . . . . 43 ASN N . 16299 1 180 . 1 1 44 44 GLU H H 1 8.42 0.01 . 1 . . . . 44 GLU H . 16299 1 181 . 1 1 44 44 GLU C C 13 173.3 0.3 . 1 . . . . 44 GLU C . 16299 1 182 . 1 1 44 44 GLU CA C 13 52.3 0.3 . 1 . . . . 44 GLU CA . 16299 1 183 . 1 1 44 44 GLU CB C 13 31.4 0.3 . 1 . . . . 44 GLU CB . 16299 1 184 . 1 1 44 44 GLU N N 15 127.0 0.1 . 1 . . . . 44 GLU N . 16299 1 185 . 1 1 45 45 TYR H H 1 8.76 0.01 . 1 . . . . 45 TYR H . 16299 1 186 . 1 1 45 45 TYR C C 13 174.2 0.3 . 1 . . . . 45 TYR C . 16299 1 187 . 1 1 45 45 TYR CA C 13 57.8 0.3 . 1 . . . . 45 TYR CA . 16299 1 188 . 1 1 45 45 TYR CB C 13 38.8 0.3 . 1 . . . . 45 TYR CB . 16299 1 189 . 1 1 45 45 TYR N N 15 120.0 0.1 . 1 . . . . 45 TYR N . 16299 1 190 . 1 1 46 46 PHE H H 1 8.63 0.01 . 1 . . . . 46 PHE H . 16299 1 191 . 1 1 46 46 PHE C C 13 173.0 0.3 . 1 . . . . 46 PHE C . 16299 1 192 . 1 1 46 46 PHE CA C 13 55.6 0.3 . 1 . . . . 46 PHE CA . 16299 1 193 . 1 1 46 46 PHE CB C 13 40.6 0.3 . 1 . . . . 46 PHE CB . 16299 1 194 . 1 1 46 46 PHE N N 15 123.4 0.1 . 1 . . . . 46 PHE N . 16299 1 195 . 1 1 47 47 PHE H H 1 8.39 0.01 . 1 . . . . 47 PHE H . 16299 1 196 . 1 1 47 47 PHE C C 13 174.0 0.3 . 1 . . . . 47 PHE C . 16299 1 197 . 1 1 47 47 PHE CA C 13 55.6 0.3 . 1 . . . . 47 PHE CA . 16299 1 198 . 1 1 47 47 PHE CB C 13 40.9 0.3 . 1 . . . . 47 PHE CB . 16299 1 199 . 1 1 47 47 PHE N N 15 124.0 0.1 . 1 . . . . 47 PHE N . 16299 1 200 . 1 1 48 48 ASP H H 1 9.06 0.01 . 1 . . . . 48 ASP H . 16299 1 201 . 1 1 48 48 ASP C C 13 176.0 0.3 . 1 . . . . 48 ASP C . 16299 1 202 . 1 1 48 48 ASP CA C 13 50.6 0.3 . 1 . . . . 48 ASP CA . 16299 1 203 . 1 1 48 48 ASP CB C 13 38.4 0.3 . 1 . . . . 48 ASP CB . 16299 1 204 . 1 1 48 48 ASP N N 15 129.2 0.1 . 1 . . . . 48 ASP N . 16299 1 205 . 1 1 49 49 ARG H H 1 6.95 0.01 . 1 . . . . 49 ARG H . 16299 1 206 . 1 1 49 49 ARG C C 13 175.4 0.3 . 1 . . . . 49 ARG C . 16299 1 207 . 1 1 49 49 ARG CA C 13 54.4 0.3 . 1 . . . . 49 ARG CA . 16299 1 208 . 1 1 49 49 ARG CB C 13 30.1 0.3 . 1 . . . . 49 ARG CB . 16299 1 209 . 1 1 49 49 ARG N N 15 115.6 0.1 . 1 . . . . 49 ARG N . 16299 1 210 . 1 1 50 50 ASN H H 1 7.98 0.01 . 1 . . . . 50 ASN H . 16299 1 211 . 1 1 50 50 ASN C C 13 178.0 0.3 . 1 . . . . 50 ASN C . 16299 1 212 . 1 1 50 50 ASN CA C 13 53.2 0.3 . 1 . . . . 50 ASN CA . 16299 1 213 . 1 1 50 50 ASN CB C 13 35.9 0.3 . 1 . . . . 50 ASN CB . 16299 1 214 . 1 1 50 50 ASN N N 15 118.5 0.1 . 1 . . . . 50 ASN N . 16299 1 215 . 1 1 51 51 ARG H H 1 6.91 0.01 . 1 . . . . 51 ARG H . 16299 1 216 . 1 1 51 51 ARG CA C 13 53.1 0.3 . 1 . . . . 51 ARG CA . 16299 1 217 . 1 1 51 51 ARG N N 15 113.0 0.1 . 1 . . . . 51 ARG N . 16299 1 218 . 1 1 52 52 PRO C C 13 175.4 0.3 . 1 . . . . 52 PRO C . 16299 1 219 . 1 1 53 53 SER H H 1 7.90 0.01 . 1 . . . . 53 SER H . 16299 1 220 . 1 1 53 53 SER C C 13 176.6 0.3 . 1 . . . . 53 SER C . 16299 1 221 . 1 1 53 53 SER CA C 13 62.4 0.3 . 1 . . . . 53 SER CA . 16299 1 222 . 1 1 53 53 SER N N 15 119.7 0.1 . 1 . . . . 53 SER N . 16299 1 223 . 1 1 54 54 PHE H H 1 9.31 0.01 . 1 . . . . 54 PHE H . 16299 1 224 . 1 1 54 54 PHE C C 13 176.9 0.3 . 1 . . . . 54 PHE C . 16299 1 225 . 1 1 54 54 PHE CA C 13 61.8 0.3 . 1 . . . . 54 PHE CA . 16299 1 226 . 1 1 54 54 PHE CB C 13 38.6 0.3 . 1 . . . . 54 PHE CB . 16299 1 227 . 1 1 54 54 PHE N N 15 123.8 0.1 . 1 . . . . 54 PHE N . 16299 1 228 . 1 1 55 55 ASP H H 1 9.14 0.01 . 1 . . . . 55 ASP H . 16299 1 229 . 1 1 55 55 ASP C C 13 177.9 0.3 . 1 . . . . 55 ASP C . 16299 1 230 . 1 1 55 55 ASP CA C 13 55.7 0.3 . 1 . . . . 55 ASP CA . 16299 1 231 . 1 1 55 55 ASP CB C 13 38.9 0.3 . 1 . . . . 55 ASP CB . 16299 1 232 . 1 1 55 55 ASP N N 15 117.6 0.1 . 1 . . . . 55 ASP N . 16299 1 233 . 1 1 56 56 ALA H H 1 7.90 0.01 . 1 . . . . 56 ALA H . 16299 1 234 . 1 1 56 56 ALA C C 13 177.5 0.3 . 1 . . . . 56 ALA C . 16299 1 235 . 1 1 56 56 ALA CA C 13 52.4 0.3 . 1 . . . . 56 ALA CA . 16299 1 236 . 1 1 56 56 ALA CB C 13 17.2 0.3 . 1 . . . . 56 ALA CB . 16299 1 237 . 1 1 56 56 ALA N N 15 116.0 0.1 . 1 . . . . 56 ALA N . 16299 1 238 . 1 1 57 57 ILE H H 1 7.00 0.01 . 1 . . . . 57 ILE H . 16299 1 239 . 1 1 57 57 ILE C C 13 179.5 0.3 . 1 . . . . 57 ILE C . 16299 1 240 . 1 1 57 57 ILE CA C 13 56.8 0.3 . 1 . . . . 57 ILE CA . 16299 1 241 . 1 1 57 57 ILE CB C 13 39.0 0.3 . 1 . . . . 57 ILE CB . 16299 1 242 . 1 1 57 57 ILE N N 15 114.0 0.1 . 1 . . . . 57 ILE N . 16299 1 243 . 1 1 58 58 LEU H H 1 8.07 0.01 . 1 . . . . 58 LEU H . 16299 1 244 . 1 1 58 58 LEU C C 13 177.6 0.3 . 1 . . . . 58 LEU C . 16299 1 245 . 1 1 58 58 LEU CA C 13 59.9 0.3 . 1 . . . . 58 LEU CA . 16299 1 246 . 1 1 58 58 LEU CB C 13 37.1 0.3 . 1 . . . . 58 LEU CB . 16299 1 247 . 1 1 58 58 LEU N N 15 116.9 0.1 . 1 . . . . 58 LEU N . 16299 1 248 . 1 1 59 59 TYR H H 1 7.61 0.01 . 1 . . . . 59 TYR H . 16299 1 249 . 1 1 59 59 TYR CA C 13 60.4 0.3 . 1 . . . . 59 TYR CA . 16299 1 250 . 1 1 59 59 TYR N N 15 122.7 0.1 . 1 . . . . 59 TYR N . 16299 1 251 . 1 1 60 60 TYR C C 13 176.1 0.3 . 1 . . . . 60 TYR C . 16299 1 252 . 1 1 60 60 TYR CB C 13 36.4 0.3 . 1 . . . . 60 TYR CB . 16299 1 253 . 1 1 61 61 TYR H H 1 7.32 0.01 . 1 . . . . 61 TYR H . 16299 1 254 . 1 1 61 61 TYR C C 13 179.0 0.3 . 1 . . . . 61 TYR C . 16299 1 255 . 1 1 61 61 TYR CA C 13 60.4 0.3 . 1 . . . . 61 TYR CA . 16299 1 256 . 1 1 61 61 TYR CB C 13 36.7 0.3 . 1 . . . . 61 TYR CB . 16299 1 257 . 1 1 61 61 TYR N N 15 114.4 0.1 . 1 . . . . 61 TYR N . 16299 1 258 . 1 1 62 62 GLN H H 1 7.79 0.01 . 1 . . . . 62 GLN H . 16299 1 259 . 1 1 62 62 GLN C C 13 177.6 0.3 . 1 . . . . 62 GLN C . 16299 1 260 . 1 1 62 62 GLN CA C 13 57.8 0.3 . 1 . . . . 62 GLN CA . 16299 1 261 . 1 1 62 62 GLN CB C 13 27.2 0.3 . 1 . . . . 62 GLN CB . 16299 1 262 . 1 1 62 62 GLN N N 15 117.4 0.1 . 1 . . . . 62 GLN N . 16299 1 263 . 1 1 63 63 SER H H 1 8.08 0.01 . 1 . . . . 63 SER H . 16299 1 264 . 1 1 63 63 SER C C 13 175.7 0.3 . 1 . . . . 63 SER C . 16299 1 265 . 1 1 63 63 SER CA C 13 57.3 0.3 . 1 . . . . 63 SER CA . 16299 1 266 . 1 1 63 63 SER CB C 13 63.5 0.3 . 1 . . . . 63 SER CB . 16299 1 267 . 1 1 63 63 SER N N 15 110.6 0.1 . 1 . . . . 63 SER N . 16299 1 268 . 1 1 64 64 GLY H H 1 7.72 0.01 . 1 . . . . 64 GLY H . 16299 1 269 . 1 1 64 64 GLY C C 13 175.0 0.3 . 1 . . . . 64 GLY C . 16299 1 270 . 1 1 64 64 GLY CA C 13 45.6 0.3 . 1 . . . . 64 GLY CA . 16299 1 271 . 1 1 64 64 GLY N N 15 110.1 0.1 . 1 . . . . 64 GLY N . 16299 1 272 . 1 1 65 65 GLY H H 1 8.43 0.01 . 1 . . . . 65 GLY H . 16299 1 273 . 1 1 65 65 GLY C C 13 173.5 0.3 . 1 . . . . 65 GLY C . 16299 1 274 . 1 1 65 65 GLY CA C 13 44.1 0.3 . 1 . . . . 65 GLY CA . 16299 1 275 . 1 1 65 65 GLY N N 15 107.2 0.1 . 1 . . . . 65 GLY N . 16299 1 276 . 1 1 66 66 ARG H H 1 7.64 0.01 . 1 . . . . 66 ARG H . 16299 1 277 . 1 1 66 66 ARG C C 13 175.3 0.3 . 1 . . . . 66 ARG C . 16299 1 278 . 1 1 66 66 ARG CA C 13 55.4 0.3 . 1 . . . . 66 ARG CA . 16299 1 279 . 1 1 66 66 ARG CB C 13 24.0 0.3 . 1 . . . . 66 ARG CB . 16299 1 280 . 1 1 66 66 ARG N N 15 120.6 0.1 . 1 . . . . 66 ARG N . 16299 1 281 . 1 1 67 67 LEU H H 1 7.14 0.01 . 1 . . . . 67 LEU H . 16299 1 282 . 1 1 67 67 LEU C C 13 175.4 0.3 . 1 . . . . 67 LEU C . 16299 1 283 . 1 1 67 67 LEU CA C 13 55.0 0.3 . 1 . . . . 67 LEU CA . 16299 1 284 . 1 1 67 67 LEU CB C 13 36.7 0.3 . 1 . . . . 67 LEU CB . 16299 1 285 . 1 1 67 67 LEU N N 15 113.7 0.1 . 1 . . . . 67 LEU N . 16299 1 286 . 1 1 68 68 LYS H H 1 8.84 0.01 . 1 . . . . 68 LYS H . 16299 1 287 . 1 1 68 68 LYS C C 13 174.1 0.3 . 1 . . . . 68 LYS C . 16299 1 288 . 1 1 68 68 LYS CA C 13 55.3 0.3 . 1 . . . . 68 LYS CA . 16299 1 289 . 1 1 68 68 LYS CB C 13 40.6 0.3 . 1 . . . . 68 LYS CB . 16299 1 290 . 1 1 68 68 LYS N N 15 116.5 0.1 . 1 . . . . 68 LYS N . 16299 1 291 . 1 1 69 69 ARG H H 1 9.40 0.01 . 1 . . . . 69 ARG H . 16299 1 292 . 1 1 69 69 ARG CA C 13 59.5 0.3 . 1 . . . . 69 ARG CA . 16299 1 293 . 1 1 69 69 ARG N N 15 124.9 0.1 . 1 . . . . 69 ARG N . 16299 1 294 . 1 1 70 70 PRO CA C 13 62.2 0.3 . 1 . . . . 70 PRO CA . 16299 1 295 . 1 1 71 71 VAL H H 1 8.41 0.01 . 1 . . . . 71 VAL H . 16299 1 296 . 1 1 71 71 VAL C C 13 176.3 0.3 . 1 . . . . 71 VAL C . 16299 1 297 . 1 1 71 71 VAL CA C 13 63.9 0.3 . 1 . . . . 71 VAL CA . 16299 1 298 . 1 1 71 71 VAL CB C 13 30.1 0.3 . 1 . . . . 71 VAL CB . 16299 1 299 . 1 1 71 71 VAL N N 15 118.9 0.1 . 1 . . . . 71 VAL N . 16299 1 300 . 1 1 72 72 ASN H H 1 8.37 0.01 . 1 . . . . 72 ASN H . 16299 1 301 . 1 1 72 72 ASN C C 13 174.4 0.3 . 1 . . . . 72 ASN C . 16299 1 302 . 1 1 72 72 ASN CA C 13 52.5 0.3 . 1 . . . . 72 ASN CA . 16299 1 303 . 1 1 72 72 ASN CB C 13 36.1 0.3 . 1 . . . . 72 ASN CB . 16299 1 304 . 1 1 72 72 ASN N N 15 112.9 0.1 . 1 . . . . 72 ASN N . 16299 1 305 . 1 1 73 73 VAL H H 1 7.73 0.01 . 1 . . . . 73 VAL H . 16299 1 306 . 1 1 73 73 VAL CA C 13 58.7 0.3 . 1 . . . . 73 VAL CA . 16299 1 307 . 1 1 73 73 VAL N N 15 122.6 0.1 . 1 . . . . 73 VAL N . 16299 1 308 . 1 1 74 74 PRO C C 13 178.8 0.3 . 1 . . . . 74 PRO C . 16299 1 309 . 1 1 75 75 PHE H H 1 7.77 0.01 . 1 . . . . 75 PHE H . 16299 1 310 . 1 1 75 75 PHE CA C 13 62.9 0.3 . 1 . . . . 75 PHE CA . 16299 1 311 . 1 1 75 75 PHE CB C 13 30.8 0.3 . 1 . . . . 75 PHE CB . 16299 1 312 . 1 1 75 75 PHE N N 15 109.9 0.1 . 1 . . . . 75 PHE N . 16299 1 313 . 1 1 76 76 ASP H H 1 7.78 0.01 . 1 . . . . 76 ASP H . 16299 1 314 . 1 1 76 76 ASP C C 13 178.4 0.3 . 1 . . . . 76 ASP C . 16299 1 315 . 1 1 76 76 ASP CA C 13 56.2 0.3 . 1 . . . . 76 ASP CA . 16299 1 316 . 1 1 76 76 ASP CB C 13 37.4 0.3 . 1 . . . . 76 ASP CB . 16299 1 317 . 1 1 76 76 ASP N N 15 118.5 0.1 . 1 . . . . 76 ASP N . 16299 1 318 . 1 1 77 77 ILE H H 1 7.31 0.01 . 1 . . . . 77 ILE H . 16299 1 319 . 1 1 77 77 ILE C C 13 177.7 0.3 . 1 . . . . 77 ILE C . 16299 1 320 . 1 1 77 77 ILE CA C 13 64.4 0.3 . 1 . . . . 77 ILE CA . 16299 1 321 . 1 1 77 77 ILE CB C 13 37.0 0.3 . 1 . . . . 77 ILE CB . 16299 1 322 . 1 1 77 77 ILE N N 15 121.2 0.1 . 1 . . . . 77 ILE N . 16299 1 323 . 1 1 78 78 PHE H H 1 8.36 0.01 . 1 . . . . 78 PHE H . 16299 1 324 . 1 1 78 78 PHE C C 13 177.2 0.3 . 1 . . . . 78 PHE C . 16299 1 325 . 1 1 78 78 PHE CA C 13 61.7 0.3 . 1 . . . . 78 PHE CA . 16299 1 326 . 1 1 78 78 PHE CB C 13 38.2 0.3 . 1 . . . . 78 PHE CB . 16299 1 327 . 1 1 78 78 PHE N N 15 119.0 0.1 . 1 . . . . 78 PHE N . 16299 1 328 . 1 1 79 79 THR H H 1 8.44 0.01 . 1 . . . . 79 THR H . 16299 1 329 . 1 1 79 79 THR C C 13 176.1 0.3 . 1 . . . . 79 THR C . 16299 1 330 . 1 1 79 79 THR CA C 13 65.9 0.3 . 1 . . . . 79 THR CA . 16299 1 331 . 1 1 79 79 THR CB C 13 67.2 0.3 . 1 . . . . 79 THR CB . 16299 1 332 . 1 1 79 79 THR N N 15 112.0 0.1 . 1 . . . . 79 THR N . 16299 1 333 . 1 1 80 80 GLU H H 1 7.11 0.01 . 1 . . . . 80 GLU H . 16299 1 334 . 1 1 80 80 GLU C C 13 179.1 0.3 . 1 . . . . 80 GLU C . 16299 1 335 . 1 1 80 80 GLU CA C 13 58.3 0.3 . 1 . . . . 80 GLU CA . 16299 1 336 . 1 1 80 80 GLU CB C 13 29.5 0.3 . 1 . . . . 80 GLU CB . 16299 1 337 . 1 1 80 80 GLU N N 15 120.3 0.1 . 1 . . . . 80 GLU N . 16299 1 338 . 1 1 81 81 GLU H H 1 8.83 0.01 . 1 . . . . 81 GLU H . 16299 1 339 . 1 1 81 81 GLU C C 13 177.4 0.3 . 1 . . . . 81 GLU C . 16299 1 340 . 1 1 81 81 GLU CA C 13 57.9 0.3 . 1 . . . . 81 GLU CA . 16299 1 341 . 1 1 81 81 GLU CB C 13 27.1 0.3 . 1 . . . . 81 GLU CB . 16299 1 342 . 1 1 81 81 GLU N N 15 115.5 0.1 . 1 . . . . 81 GLU N . 16299 1 343 . 1 1 82 82 VAL H H 1 8.15 0.01 . 1 . . . . 82 VAL H . 16299 1 344 . 1 1 82 82 VAL C C 13 178.0 0.3 . 1 . . . . 82 VAL C . 16299 1 345 . 1 1 82 82 VAL CA C 13 66.9 0.3 . 1 . . . . 82 VAL CA . 16299 1 346 . 1 1 82 82 VAL CB C 13 30.0 0.3 . 1 . . . . 82 VAL CB . 16299 1 347 . 1 1 82 82 VAL N N 15 119.6 0.1 . 1 . . . . 82 VAL N . 16299 1 348 . 1 1 83 83 LYS H H 1 7.53 0.01 . 1 . . . . 83 LYS H . 16299 1 349 . 1 1 83 83 LYS C C 13 179.9 0.3 . 1 . . . . 83 LYS C . 16299 1 350 . 1 1 83 83 LYS CA C 13 58.2 0.3 . 1 . . . . 83 LYS CA . 16299 1 351 . 1 1 83 83 LYS CB C 13 30.9 0.3 . 1 . . . . 83 LYS CB . 16299 1 352 . 1 1 83 83 LYS N N 15 116.9 0.1 . 1 . . . . 83 LYS N . 16299 1 353 . 1 1 84 84 PHE H H 1 7.99 0.01 . 1 . . . . 84 PHE H . 16299 1 354 . 1 1 84 84 PHE C C 13 176.2 0.3 . 1 . . . . 84 PHE C . 16299 1 355 . 1 1 84 84 PHE CA C 13 61.3 0.3 . 1 . . . . 84 PHE CA . 16299 1 356 . 1 1 84 84 PHE CB C 13 37.6 0.3 . 1 . . . . 84 PHE CB . 16299 1 357 . 1 1 84 84 PHE N N 15 123.1 0.1 . 1 . . . . 84 PHE N . 16299 1 358 . 1 1 85 85 TYR H H 1 8.25 0.01 . 1 . . . . 85 TYR H . 16299 1 359 . 1 1 85 85 TYR C C 13 175.6 0.3 . 1 . . . . 85 TYR C . 16299 1 360 . 1 1 85 85 TYR CA C 13 59.9 0.3 . 1 . . . . 85 TYR CA . 16299 1 361 . 1 1 85 85 TYR CB C 13 35.3 0.3 . 1 . . . . 85 TYR CB . 16299 1 362 . 1 1 85 85 TYR N N 15 113.0 0.1 . 1 . . . . 85 TYR N . 16299 1 363 . 1 1 86 86 GLN H H 1 7.85 0.01 . 1 . . . . 86 GLN H . 16299 1 364 . 1 1 86 86 GLN C C 13 175.6 0.3 . 1 . . . . 86 GLN C . 16299 1 365 . 1 1 86 86 GLN CA C 13 55.4 0.3 . 1 . . . . 86 GLN CA . 16299 1 366 . 1 1 86 86 GLN CB C 13 28.8 0.3 . 1 . . . . 86 GLN CB . 16299 1 367 . 1 1 86 86 GLN N N 15 118.2 0.1 . 1 . . . . 86 GLN N . 16299 1 368 . 1 1 87 87 LEU H H 1 8.57 0.01 . 1 . . . . 87 LEU H . 16299 1 369 . 1 1 87 87 LEU C C 13 177.5 0.3 . 1 . . . . 87 LEU C . 16299 1 370 . 1 1 87 87 LEU CA C 13 54.1 0.3 . 1 . . . . 87 LEU CA . 16299 1 371 . 1 1 87 87 LEU CB C 13 39.2 0.3 . 1 . . . . 87 LEU CB . 16299 1 372 . 1 1 87 87 LEU N N 15 124.2 0.1 . 1 . . . . 87 LEU N . 16299 1 373 . 1 1 88 88 GLY H H 1 7.99 0.01 . 1 . . . . 88 GLY H . 16299 1 374 . 1 1 88 88 GLY CA C 13 44.0 0.3 . 1 . . . . 88 GLY CA . 16299 1 375 . 1 1 88 88 GLY N N 15 106.4 0.1 . 1 . . . . 88 GLY N . 16299 1 376 . 1 1 89 89 LYS H H 1 8.03 0.01 . 1 . . . . 89 LYS H . 16299 1 377 . 1 1 89 89 LYS CA C 13 55.9 0.3 . 1 . . . . 89 LYS CA . 16299 1 378 . 1 1 89 89 LYS CB C 13 32.2 0.3 . 1 . . . . 89 LYS CB . 16299 1 379 . 1 1 89 89 LYS N N 15 120.1 0.1 . 1 . . . . 89 LYS N . 16299 1 380 . 1 1 90 90 LEU H H 1 8.31 0.01 . 1 . . . . 90 LEU H . 16299 1 381 . 1 1 90 90 LEU CA C 13 54.2 0.3 . 1 . . . . 90 LEU CA . 16299 1 382 . 1 1 90 90 LEU CB C 13 40.6 0.3 . 1 . . . . 90 LEU CB . 16299 1 383 . 1 1 90 90 LEU N N 15 122.8 0.1 . 1 . . . . 90 LEU N . 16299 1 384 . 1 1 91 91 ALA H H 1 8.26 0.01 . 1 . . . . 91 ALA H . 16299 1 385 . 1 1 91 91 ALA CA C 13 52.1 0.3 . 1 . . . . 91 ALA CA . 16299 1 386 . 1 1 91 91 ALA CB C 13 17.7 0.3 . 1 . . . . 91 ALA CB . 16299 1 387 . 1 1 91 91 ALA N N 15 124.1 0.1 . 1 . . . . 91 ALA N . 16299 1 388 . 1 1 92 92 ALA H H 1 8.16 0.01 . 1 . . . . 92 ALA H . 16299 1 389 . 1 1 92 92 ALA CA C 13 52.0 0.3 . 1 . . . . 92 ALA CA . 16299 1 390 . 1 1 92 92 ALA CB C 13 17.7 0.3 . 1 . . . . 92 ALA CB . 16299 1 391 . 1 1 92 92 ALA N N 15 121.5 0.1 . 1 . . . . 92 ALA N . 16299 1 392 . 1 1 93 93 ALA H H 1 8.07 0.01 . 1 . . . . 93 ALA H . 16299 1 393 . 1 1 93 93 ALA CA C 13 52.0 0.3 . 1 . . . . 93 ALA CA . 16299 1 394 . 1 1 93 93 ALA CB C 13 17.8 0.3 . 1 . . . . 93 ALA CB . 16299 1 395 . 1 1 93 93 ALA N N 15 121.8 0.1 . 1 . . . . 93 ALA N . 16299 1 396 . 1 1 94 94 LEU H H 1 8.03 0.01 . 1 . . . . 94 LEU H . 16299 1 397 . 1 1 94 94 LEU CA C 13 54.6 0.3 . 1 . . . . 94 LEU CA . 16299 1 398 . 1 1 94 94 LEU CB C 13 40.7 0.3 . 1 . . . . 94 LEU CB . 16299 1 399 . 1 1 94 94 LEU N N 15 120.1 0.1 . 1 . . . . 94 LEU N . 16299 1 400 . 1 1 95 95 GLU H H 1 8.19 0.01 . 1 . . . . 95 GLU H . 16299 1 401 . 1 1 95 95 GLU CA C 13 55.9 0.3 . 1 . . . . 95 GLU CA . 16299 1 402 . 1 1 95 95 GLU CB C 13 28.9 0.3 . 1 . . . . 95 GLU CB . 16299 1 403 . 1 1 95 95 GLU N N 15 120.6 0.1 . 1 . . . . 95 GLU N . 16299 1 404 . 1 1 96 96 HIS H H 1 8.43 0.01 . 1 . . . . 96 HIS H . 16299 1 405 . 1 1 96 96 HIS CA C 13 55.5 0.3 . 1 . . . . 96 HIS CA . 16299 1 406 . 1 1 96 96 HIS N N 15 119.7 0.1 . 1 . . . . 96 HIS N . 16299 1 407 . 1 1 97 97 HIS H H 1 8.76 0.01 . 1 . . . . 97 HIS H . 16299 1 408 . 1 1 97 97 HIS C C 13 175.6 0.3 . 1 . . . . 97 HIS C . 16299 1 409 . 1 1 97 97 HIS CA C 13 54.7 0.3 . 1 . . . . 97 HIS CA . 16299 1 410 . 1 1 97 97 HIS N N 15 120.6 0.1 . 1 . . . . 97 HIS N . 16299 1 411 . 1 1 98 98 HIS H H 1 8.63 0.01 . 1 . . . . 98 HIS H . 16299 1 412 . 1 1 98 98 HIS CA C 13 54.9 0.3 . 1 . . . . 98 HIS CA . 16299 1 413 . 1 1 98 98 HIS N N 15 120.5 0.1 . 1 . . . . 98 HIS N . 16299 1 414 . 1 1 99 99 HIS H H 1 8.81 0.01 . 1 . . . . 99 HIS H . 16299 1 415 . 1 1 99 99 HIS C C 13 173.6 0.3 . 1 . . . . 99 HIS C . 16299 1 416 . 1 1 99 99 HIS CA C 13 54.9 0.3 . 1 . . . . 99 HIS CA . 16299 1 417 . 1 1 99 99 HIS N N 15 120.7 0.1 . 1 . . . . 99 HIS N . 16299 1 418 . 1 1 100 100 HIS H H 1 8.37 0.01 . 1 . . . . 100 HIS H . 16299 1 419 . 1 1 100 100 HIS CA C 13 56.1 0.3 . 1 . . . . 100 HIS CA . 16299 1 420 . 1 1 100 100 HIS N N 15 125.8 0.1 . 1 . . . . 100 HIS N . 16299 1 stop_ save_