data_6432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6432 _Entry.Title ; NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana At2g23090 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-14 _Entry.Accession_date 2004-12-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Robert Tyler . C. . 6432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 421 6432 '13C chemical shifts' 307 6432 '15N chemical shifts' 79 6432 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 . . 2009-07-20 2004-12-14 update BMRB 'added time domain data' 6432 1 . . 2005-01-21 2004-12-14 original author 'original release' 6432 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6432 _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 ; NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana At2g23090 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _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 Robert Tyler . C. . 6432 1 2 M. Tonelli . . . 6432 1 3 M. Lee . . . 6432 1 4 J. Markley . L. . 6432 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein Structure Initiative' 6432 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_At2g23090_monomer _Assembly.Sf_category assembly _Assembly.Sf_framecode At2g23090_monomer _Assembly.Entry_ID 6432 _Assembly.ID 1 _Assembly.Name 'At2g23090 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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'At2g23090 monomer' 6432 1 stop_ 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 'At2g23090 unit 1' 1 $At2g23090 . . . native . . . . . 6432 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'At2g23090 monomer' system 6432 1 'At2g23090 monomer' abbreviation 6432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At2g23090 _Entity.Sf_category entity _Entity.Sf_framecode At2g23090 _Entity.Entry_ID 6432 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'At2g23090 monomer' _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 ; GHHHHHHLEGGGNAQKSAMA RAKNLEKAKAAGKGSQLEAN KKAMSIQCKVCMQTFICTTS EVKCREHAEAKHPKADVVAC FPHLKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 2015-01-28 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 PDB 1WVK . "Nmr Solution Structure Of The Partially Disordered Protein At2g23090 From Arabidopsis Thaliana" . . . . . 100.00 86 100.00 100.00 2.48e-53 . . . . 6432 1 2 no GB AAC17825 . "Expressed protein [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 3 no GB AAK96535 . "At2g23090/F21P24.15 [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 4 no GB AAL08233 . "At2g23090/F21P24.15 [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 5 no GB AAM62542 . "unknown [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 6 no GB AAN28739 . "At2g23090/F21P24.15 [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 7 no REF NP_565547 . "uncharacterized protein [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 8 no REF XP_002880480 . "hypothetical protein ARALYDRAFT_481181 [Arabidopsis lyrata subsp. lyrata]" . . . . . 89.53 78 98.70 98.70 2.43e-45 . . . . 6432 1 9 no REF XP_006295352 . "hypothetical protein CARUB_v10024443mg [Capsella rubella]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 10 no REF XP_010417064 . "PREDICTED: uncharacterized protein At2g23090-like [Camelina sativa]" . . . . . 89.53 128 100.00 100.00 5.88e-47 . . . . 6432 1 11 no REF XP_010429253 . "PREDICTED: uncharacterized protein At2g23090 [Camelina sativa]" . . . . . 89.53 78 98.70 100.00 4.71e-46 . . . . 6432 1 12 no SP O64818 . "RecName: Full=Uncharacterized protein At2g23090 [Arabidopsis thaliana]" . . . . . 89.53 78 100.00 100.00 1.85e-46 . . . . 6432 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'At2g23090 monomer' common 6432 1 At2g23090 abbreviation 6432 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 . GLY . 6432 1 2 . HIS . 6432 1 3 . HIS . 6432 1 4 . HIS . 6432 1 5 . HIS . 6432 1 6 . HIS . 6432 1 7 . HIS . 6432 1 8 . LEU . 6432 1 9 . GLU . 6432 1 10 . GLY . 6432 1 11 . GLY . 6432 1 12 . GLY . 6432 1 13 . ASN . 6432 1 14 . ALA . 6432 1 15 . GLN . 6432 1 16 . LYS . 6432 1 17 . SER . 6432 1 18 . ALA . 6432 1 19 . MET . 6432 1 20 . ALA . 6432 1 21 . ARG . 6432 1 22 . ALA . 6432 1 23 . LYS . 6432 1 24 . ASN . 6432 1 25 . LEU . 6432 1 26 . GLU . 6432 1 27 . LYS . 6432 1 28 . ALA . 6432 1 29 . LYS . 6432 1 30 . ALA . 6432 1 31 . ALA . 6432 1 32 . GLY . 6432 1 33 . LYS . 6432 1 34 . GLY . 6432 1 35 . SER . 6432 1 36 . GLN . 6432 1 37 . LEU . 6432 1 38 . GLU . 6432 1 39 . ALA . 6432 1 40 . ASN . 6432 1 41 . LYS . 6432 1 42 . LYS . 6432 1 43 . ALA . 6432 1 44 . MET . 6432 1 45 . SER . 6432 1 46 . ILE . 6432 1 47 . GLN . 6432 1 48 . CYS . 6432 1 49 . LYS . 6432 1 50 . VAL . 6432 1 51 . CYS . 6432 1 52 . MET . 6432 1 53 . GLN . 6432 1 54 . THR . 6432 1 55 . PHE . 6432 1 56 . ILE . 6432 1 57 . CYS . 6432 1 58 . THR . 6432 1 59 . THR . 6432 1 60 . SER . 6432 1 61 . GLU . 6432 1 62 . VAL . 6432 1 63 . LYS . 6432 1 64 . CYS . 6432 1 65 . ARG . 6432 1 66 . GLU . 6432 1 67 . HIS . 6432 1 68 . ALA . 6432 1 69 . GLU . 6432 1 70 . ALA . 6432 1 71 . LYS . 6432 1 72 . HIS . 6432 1 73 . PRO . 6432 1 74 . LYS . 6432 1 75 . ALA . 6432 1 76 . ASP . 6432 1 77 . VAL . 6432 1 78 . VAL . 6432 1 79 . ALA . 6432 1 80 . CYS . 6432 1 81 . PHE . 6432 1 82 . PRO . 6432 1 83 . HIS . 6432 1 84 . LEU . 6432 1 85 . LYS . 6432 1 86 . LYS . 6432 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 . GLY 1 1 6432 1 . HIS 2 2 6432 1 . HIS 3 3 6432 1 . HIS 4 4 6432 1 . HIS 5 5 6432 1 . HIS 6 6 6432 1 . HIS 7 7 6432 1 . LEU 8 8 6432 1 . GLU 9 9 6432 1 . GLY 10 10 6432 1 . GLY 11 11 6432 1 . GLY 12 12 6432 1 . ASN 13 13 6432 1 . ALA 14 14 6432 1 . GLN 15 15 6432 1 . LYS 16 16 6432 1 . SER 17 17 6432 1 . ALA 18 18 6432 1 . MET 19 19 6432 1 . ALA 20 20 6432 1 . ARG 21 21 6432 1 . ALA 22 22 6432 1 . LYS 23 23 6432 1 . ASN 24 24 6432 1 . LEU 25 25 6432 1 . GLU 26 26 6432 1 . LYS 27 27 6432 1 . ALA 28 28 6432 1 . LYS 29 29 6432 1 . ALA 30 30 6432 1 . ALA 31 31 6432 1 . GLY 32 32 6432 1 . LYS 33 33 6432 1 . GLY 34 34 6432 1 . SER 35 35 6432 1 . GLN 36 36 6432 1 . LEU 37 37 6432 1 . GLU 38 38 6432 1 . ALA 39 39 6432 1 . ASN 40 40 6432 1 . LYS 41 41 6432 1 . LYS 42 42 6432 1 . ALA 43 43 6432 1 . MET 44 44 6432 1 . SER 45 45 6432 1 . ILE 46 46 6432 1 . GLN 47 47 6432 1 . CYS 48 48 6432 1 . LYS 49 49 6432 1 . VAL 50 50 6432 1 . CYS 51 51 6432 1 . MET 52 52 6432 1 . GLN 53 53 6432 1 . THR 54 54 6432 1 . PHE 55 55 6432 1 . ILE 56 56 6432 1 . CYS 57 57 6432 1 . THR 58 58 6432 1 . THR 59 59 6432 1 . SER 60 60 6432 1 . GLU 61 61 6432 1 . VAL 62 62 6432 1 . LYS 63 63 6432 1 . CYS 64 64 6432 1 . ARG 65 65 6432 1 . GLU 66 66 6432 1 . HIS 67 67 6432 1 . ALA 68 68 6432 1 . GLU 69 69 6432 1 . ALA 70 70 6432 1 . LYS 71 71 6432 1 . HIS 72 72 6432 1 . PRO 73 73 6432 1 . LYS 74 74 6432 1 . ALA 75 75 6432 1 . ASP 76 76 6432 1 . VAL 77 77 6432 1 . VAL 78 78 6432 1 . ALA 79 79 6432 1 . CYS 80 80 6432 1 . PHE 81 81 6432 1 . PRO 82 82 6432 1 . HIS 83 83 6432 1 . LEU 84 84 6432 1 . LYS 85 85 6432 1 . LYS 86 86 6432 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 6432 _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 $At2g23090 . 3702 . . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6432 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 6432 _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 $At2g23090 . cell-free . 'wheat germ' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6432 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'At2g23090 monomer' . . . 1 $At2g23090 . . . . . mM . . . . 6432 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-cond_1 _Sample_condition_list.Entry_ID 6432 _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 pH 5.8 0.2 n/a 6432 1 temperature 298 1 K 6432 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6432 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6432 _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 NMR_spectrometer_1 Varian INOVA . 900 . . . 6432 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6432 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 6432 _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 '13C HSQC (aliph)' yes 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 2 '13C NOESY' yes 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 3 '15N NOESY' yes 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 4 CBCACONH yes 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 5 CCONH yes 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 6 HBHACONH yes 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 7 HCCH-TOCSY yes 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 8 HCCONH yes 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 9 HNCACB yes 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 10 HNCO yes 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 11 '15N HSQC' yes 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6432 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '13C HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13C_hsqc_aliph/' . . . . . . . 6432 1 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13C_hsqc_aliph/' . . . . . . . 6432 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13C_hsqc_aliph/' . . . . . . . 6432 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13Cnoesy_150ms/' . . . . . . . 6432 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13Cnoesy_150ms/' . . . . . . . 6432 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/13Cnoesy_150ms/' . . . . . . . 6432 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/15Nnoesy_175ms/' . . . . . . . 6432 3 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/15Nnoesy_175ms/' . . . . . . . 6432 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/15Nnoesy_175ms/' . . . . . . . 6432 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cbcaconh/' . . . . . . . 6432 4 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cbcaconh/' . . . . . . . 6432 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cbcaconh/' . . . . . . . 6432 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cconh/' . . . . . . . 6432 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cconh/' . . . . . . . 6432 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/cconh/' . . . . . . . 6432 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hbhaconh/' . . . . . . . 6432 6 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hbhaconh/' . . . . . . . 6432 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hbhaconh/' . . . . . . . 6432 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcchtocsy/' . . . . . . . 6432 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcchtocsy/' . . . . . . . 6432 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcchtocsy/' . . . . . . . 6432 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcconh/' . . . . . . . 6432 8 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcconh/' . . . . . . . 6432 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hcconh/' . . . . . . . 6432 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hncacb/' . . . . . . . 6432 9 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hncacb/' . . . . . . . 6432 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hncacb/' . . . . . . . 6432 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hnco/' . . . . . . . 6432 10 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hnco/' . . . . . . . 6432 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hnco/' . . . . . . . 6432 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6432 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hsqc/' . . . . . . . 6432 11 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hsqc/' . . . . . . . 6432 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6432/timedomain_data/TD_bmrb_12084/hsqc/' . . . . . . . 6432 11 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6432 _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 H 1 H2O methylene . . . . ppm 4.7 internal direct 13.46382 internal spherical parallel . . . . . . 6432 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6432 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6432 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6432 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6432 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6432 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 7 7 HIS CA C 13 56.015 . . 1 . . . . . . . . 6432 1 2 . 1 1 7 7 HIS CB C 13 29.815 . . 1 . . . . . . . . 6432 1 3 . 1 1 8 8 LEU N N 15 124.162 . . 1 . . . . . . . . 6432 1 4 . 1 1 8 8 LEU H H 1 8.356 . . 1 . . . . . . . . 6432 1 5 . 1 1 8 8 LEU CA C 13 55.047 . . 1 . . . . . . . . 6432 1 6 . 1 1 8 8 LEU HA H 1 4.313 . . 1 . . . . . . . . 6432 1 7 . 1 1 8 8 LEU CB C 13 42.281 . . 1 . . . . . . . . 6432 1 8 . 1 1 8 8 LEU HB2 H 1 1.546 . . 2 . . . . . . . . 6432 1 9 . 1 1 8 8 LEU CG C 13 26.848 . . 1 . . . . . . . . 6432 1 10 . 1 1 8 8 LEU HG H 1 1.448 . . 1 . . . . . . . . 6432 1 11 . 1 1 8 8 LEU CD1 C 13 23.576 . . 1 . . . . . . . . 6432 1 12 . 1 1 8 8 LEU HD11 H 1 0.849 . . 2 . . . . . . . . 6432 1 13 . 1 1 8 8 LEU HD12 H 1 0.849 . . 2 . . . . . . . . 6432 1 14 . 1 1 8 8 LEU HD13 H 1 0.849 . . 2 . . . . . . . . 6432 1 15 . 1 1 8 8 LEU CD2 C 13 24.913 . . 1 . . . . . . . . 6432 1 16 . 1 1 8 8 LEU HD21 H 1 0.862 . . 2 . . . . . . . . 6432 1 17 . 1 1 8 8 LEU HD22 H 1 0.862 . . 2 . . . . . . . . 6432 1 18 . 1 1 8 8 LEU HD23 H 1 0.862 . . 2 . . . . . . . . 6432 1 19 . 1 1 8 8 LEU C C 13 177.137 . . 1 . . . . . . . . 6432 1 20 . 1 1 9 9 GLU N N 15 122.481 . . 1 . . . . . . . . 6432 1 21 . 1 1 9 9 GLU H H 1 8.491 . . 1 . . . . . . . . 6432 1 22 . 1 1 9 9 GLU CA C 13 56.664 . . 1 . . . . . . . . 6432 1 23 . 1 1 9 9 GLU HA H 1 4.289 . . 1 . . . . . . . . 6432 1 24 . 1 1 9 9 GLU CB C 13 30.212 . . 1 . . . . . . . . 6432 1 25 . 1 1 9 9 GLU HB3 H 1 2.064 . . 2 . . . . . . . . 6432 1 26 . 1 1 9 9 GLU HB2 H 1 1.961 . . 2 . . . . . . . . 6432 1 27 . 1 1 9 9 GLU CG C 13 36.069 . . 1 . . . . . . . . 6432 1 28 . 1 1 9 9 GLU HG2 H 1 2.274 . . 2 . . . . . . . . 6432 1 29 . 1 1 9 9 GLU C C 13 177.016 . . 1 . . . . . . . . 6432 1 30 . 1 1 10 10 GLY N N 15 110.412 . . 1 . . . . . . . . 6432 1 31 . 1 1 10 10 GLY H H 1 8.490 . . 1 . . . . . . . . 6432 1 32 . 1 1 10 10 GLY CA C 13 45.402 . . 1 . . . . . . . . 6432 1 33 . 1 1 10 10 GLY HA2 H 1 3.980 . . 2 . . . . . . . . 6432 1 34 . 1 1 10 10 GLY C C 13 174.833 . . 1 . . . . . . . . 6432 1 35 . 1 1 11 11 GLY N N 15 108.709 . . 1 . . . . . . . . 6432 1 36 . 1 1 11 11 GLY H H 1 8.339 . . 1 . . . . . . . . 6432 1 37 . 1 1 11 11 GLY CA C 13 45.357 . . 1 . . . . . . . . 6432 1 38 . 1 1 11 11 GLY HA2 H 1 3.976 . . 2 . . . . . . . . 6432 1 39 . 1 1 11 11 GLY C C 13 174.939 . . 1 . . . . . . . . 6432 1 40 . 1 1 12 12 GLY N N 15 108.766 . . 1 . . . . . . . . 6432 1 41 . 1 1 12 12 GLY H H 1 8.363 . . 1 . . . . . . . . 6432 1 42 . 1 1 12 12 GLY CA C 13 45.428 . . 1 . . . . . . . . 6432 1 43 . 1 1 12 12 GLY HA2 H 1 3.950 . . 2 . . . . . . . . 6432 1 44 . 1 1 12 12 GLY C C 13 174.253 . . 1 . . . . . . . . 6432 1 45 . 1 1 13 13 ASN N N 15 118.847 . . 1 . . . . . . . . 6432 1 46 . 1 1 13 13 ASN H H 1 8.372 . . 1 . . . . . . . . 6432 1 47 . 1 1 13 13 ASN CA C 13 53.533 . . 1 . . . . . . . . 6432 1 48 . 1 1 13 13 ASN HA H 1 4.678 . . 1 . . . . . . . . 6432 1 49 . 1 1 13 13 ASN CB C 13 38.886 . . 1 . . . . . . . . 6432 1 50 . 1 1 13 13 ASN HB2 H 1 2.796 . . 2 . . . . . . . . 6432 1 51 . 1 1 13 13 ASN C C 13 175.543 . . 1 . . . . . . . . 6432 1 52 . 1 1 14 14 ALA N N 15 124.403 . . 1 . . . . . . . . 6432 1 53 . 1 1 14 14 ALA H H 1 8.340 . . 1 . . . . . . . . 6432 1 54 . 1 1 14 14 ALA CA C 13 53.348 . . 1 . . . . . . . . 6432 1 55 . 1 1 14 14 ALA HA H 1 4.254 . . 1 . . . . . . . . 6432 1 56 . 1 1 14 14 ALA CB C 13 18.890 . . 1 . . . . . . . . 6432 1 57 . 1 1 14 14 ALA HB1 H 1 1.393 . . 1 . . . . . . . . 6432 1 58 . 1 1 14 14 ALA HB2 H 1 1.393 . . 1 . . . . . . . . 6432 1 59 . 1 1 14 14 ALA HB3 H 1 1.393 . . 1 . . . . . . . . 6432 1 60 . 1 1 14 14 ALA C C 13 178.261 . . 1 . . . . . . . . 6432 1 61 . 1 1 15 15 GLN N N 15 119.044 . . 1 . . . . . . . . 6432 1 62 . 1 1 15 15 GLN H H 1 8.271 . . 1 . . . . . . . . 6432 1 63 . 1 1 15 15 GLN CA C 13 56.565 . . 1 . . . . . . . . 6432 1 64 . 1 1 15 15 GLN HA H 1 4.256 . . 1 . . . . . . . . 6432 1 65 . 1 1 15 15 GLN CB C 13 28.997 . . 1 . . . . . . . . 6432 1 66 . 1 1 15 15 GLN HB2 H 1 2.062 . . 2 . . . . . . . . 6432 1 67 . 1 1 15 15 GLN CG C 13 33.869 . . 1 . . . . . . . . 6432 1 68 . 1 1 15 15 GLN HG2 H 1 2.379 . . 2 . . . . . . . . 6432 1 69 . 1 1 15 15 GLN C C 13 176.704 . . 1 . . . . . . . . 6432 1 70 . 1 1 16 16 LYS N N 15 121.977 . . 1 . . . . . . . . 6432 1 71 . 1 1 16 16 LYS H H 1 8.250 . . 1 . . . . . . . . 6432 1 72 . 1 1 16 16 LYS CA C 13 57.225 . . 1 . . . . . . . . 6432 1 73 . 1 1 16 16 LYS HA H 1 4.252 . . 1 . . . . . . . . 6432 1 74 . 1 1 16 16 LYS CB C 13 32.828 . . 1 . . . . . . . . 6432 1 75 . 1 1 16 16 LYS HB2 H 1 1.825 . . 2 . . . . . . . . 6432 1 76 . 1 1 16 16 LYS CG C 13 24.892 . . 1 . . . . . . . . 6432 1 77 . 1 1 16 16 LYS HG2 H 1 1.453 . . 2 . . . . . . . . 6432 1 78 . 1 1 16 16 LYS CD C 13 29.060 . . 1 . . . . . . . . 6432 1 79 . 1 1 16 16 LYS HD2 H 1 1.697 . . 2 . . . . . . . . 6432 1 80 . 1 1 16 16 LYS CE C 13 42.337 . . 1 . . . . . . . . 6432 1 81 . 1 1 16 16 LYS HE2 H 1 2.990 . . 2 . . . . . . . . 6432 1 82 . 1 1 16 16 LYS C C 13 177.429 . . 1 . . . . . . . . 6432 1 83 . 1 1 17 17 SER N N 15 116.407 . . 1 . . . . . . . . 6432 1 84 . 1 1 17 17 SER H H 1 8.270 . . 1 . . . . . . . . 6432 1 85 . 1 1 17 17 SER CA C 13 58.963 . . 1 . . . . . . . . 6432 1 86 . 1 1 17 17 SER HA H 1 4.376 . . 1 . . . . . . . . 6432 1 87 . 1 1 17 17 SER CB C 13 63.630 . . 1 . . . . . . . . 6432 1 88 . 1 1 17 17 SER HB2 H 1 3.905 . . 2 . . . . . . . . 6432 1 89 . 1 1 17 17 SER C C 13 174.961 . . 1 . . . . . . . . 6432 1 90 . 1 1 18 18 ALA N N 15 125.743 . . 1 . . . . . . . . 6432 1 91 . 1 1 18 18 ALA H H 1 8.294 . . 1 . . . . . . . . 6432 1 92 . 1 1 18 18 ALA CA C 13 53.520 . . 1 . . . . . . . . 6432 1 93 . 1 1 18 18 ALA HA H 1 4.251 . . 1 . . . . . . . . 6432 1 94 . 1 1 18 18 ALA CB C 13 18.809 . . 1 . . . . . . . . 6432 1 95 . 1 1 18 18 ALA HB1 H 1 1.428 . . 1 . . . . . . . . 6432 1 96 . 1 1 18 18 ALA HB2 H 1 1.428 . . 1 . . . . . . . . 6432 1 97 . 1 1 18 18 ALA HB3 H 1 1.428 . . 1 . . . . . . . . 6432 1 98 . 1 1 18 18 ALA C C 13 178.693 . . 1 . . . . . . . . 6432 1 99 . 1 1 19 19 MET N N 15 118.786 . . 1 . . . . . . . . 6432 1 100 . 1 1 19 19 MET H H 1 8.183 . . 1 . . . . . . . . 6432 1 101 . 1 1 19 19 MET CA C 13 56.346 . . 1 . . . . . . . . 6432 1 102 . 1 1 19 19 MET HA H 1 4.357 . . 1 . . . . . . . . 6432 1 103 . 1 1 19 19 MET CB C 13 32.649 . . 1 . . . . . . . . 6432 1 104 . 1 1 19 19 MET HB3 H 1 2.598 . . 2 . . . . . . . . 6432 1 105 . 1 1 19 19 MET HB2 H 1 2.061 . . 2 . . . . . . . . 6432 1 106 . 1 1 19 19 MET C C 13 176.711 . . 1 . . . . . . . . 6432 1 107 . 1 1 20 20 ALA N N 15 124.451 . . 1 . . . . . . . . 6432 1 108 . 1 1 20 20 ALA H H 1 8.091 . . 1 . . . . . . . . 6432 1 109 . 1 1 20 20 ALA CA C 13 53.277 . . 1 . . . . . . . . 6432 1 110 . 1 1 20 20 ALA HA H 1 4.243 . . 1 . . . . . . . . 6432 1 111 . 1 1 20 20 ALA CB C 13 18.849 . . 1 . . . . . . . . 6432 1 112 . 1 1 20 20 ALA HB1 H 1 1.413 . . 1 . . . . . . . . 6432 1 113 . 1 1 20 20 ALA HB2 H 1 1.413 . . 1 . . . . . . . . 6432 1 114 . 1 1 20 20 ALA HB3 H 1 1.413 . . 1 . . . . . . . . 6432 1 115 . 1 1 20 20 ALA C C 13 178.321 . . 1 . . . . . . . . 6432 1 116 . 1 1 21 21 ARG N N 15 119.683 . . 1 . . . . . . . . 6432 1 117 . 1 1 21 21 ARG H H 1 8.128 . . 1 . . . . . . . . 6432 1 118 . 1 1 21 21 ARG CA C 13 56.814 . . 1 . . . . . . . . 6432 1 119 . 1 1 21 21 ARG HA H 1 4.234 . . 1 . . . . . . . . 6432 1 120 . 1 1 21 21 ARG CB C 13 30.671 . . 1 . . . . . . . . 6432 1 121 . 1 1 21 21 ARG HB2 H 1 1.828 . . 2 . . . . . . . . 6432 1 122 . 1 1 21 21 ARG CG C 13 27.316 . . 1 . . . . . . . . 6432 1 123 . 1 1 21 21 ARG HG2 H 1 1.667 . . 2 . . . . . . . . 6432 1 124 . 1 1 21 21 ARG CD C 13 43.465 . . 1 . . . . . . . . 6432 1 125 . 1 1 21 21 ARG HD2 H 1 3.210 . . 2 . . . . . . . . 6432 1 126 . 1 1 21 21 ARG C C 13 176.744 . . 1 . . . . . . . . 6432 1 127 . 1 1 22 22 ALA N N 15 124.253 . . 1 . . . . . . . . 6432 1 128 . 1 1 22 22 ALA H H 1 8.131 . . 1 . . . . . . . . 6432 1 129 . 1 1 22 22 ALA CA C 13 53.177 . . 1 . . . . . . . . 6432 1 130 . 1 1 22 22 ALA HA H 1 4.246 . . 1 . . . . . . . . 6432 1 131 . 1 1 22 22 ALA CB C 13 18.959 . . 1 . . . . . . . . 6432 1 132 . 1 1 22 22 ALA HB1 H 1 1.429 . . 1 . . . . . . . . 6432 1 133 . 1 1 22 22 ALA HB2 H 1 1.429 . . 1 . . . . . . . . 6432 1 134 . 1 1 22 22 ALA HB3 H 1 1.429 . . 1 . . . . . . . . 6432 1 135 . 1 1 22 22 ALA C C 13 178.363 . . 1 . . . . . . . . 6432 1 136 . 1 1 23 23 LYS N N 15 120.026 . . 1 . . . . . . . . 6432 1 137 . 1 1 23 23 LYS H H 1 8.204 . . 1 . . . . . . . . 6432 1 138 . 1 1 23 23 LYS CA C 13 56.994 . . 1 . . . . . . . . 6432 1 139 . 1 1 23 23 LYS HA H 1 4.216 . . 1 . . . . . . . . 6432 1 140 . 1 1 23 23 LYS CB C 13 32.801 . . 1 . . . . . . . . 6432 1 141 . 1 1 23 23 LYS HB2 H 1 1.805 . . 2 . . . . . . . . 6432 1 142 . 1 1 23 23 LYS CG C 13 24.760 . . 1 . . . . . . . . 6432 1 143 . 1 1 23 23 LYS HG2 H 1 1.452 . . 2 . . . . . . . . 6432 1 144 . 1 1 23 23 LYS CD C 13 28.952 . . 1 . . . . . . . . 6432 1 145 . 1 1 23 23 LYS HD2 H 1 1.708 . . 2 . . . . . . . . 6432 1 146 . 1 1 23 23 LYS CE C 13 42.040 . . 1 . . . . . . . . 6432 1 147 . 1 1 23 23 LYS HE2 H 1 2.989 . . 2 . . . . . . . . 6432 1 148 . 1 1 23 23 LYS C C 13 176.950 . . 1 . . . . . . . . 6432 1 149 . 1 1 24 24 ASN N N 15 119.032 . . 1 . . . . . . . . 6432 1 150 . 1 1 24 24 ASN H H 1 8.309 . . 1 . . . . . . . . 6432 1 151 . 1 1 24 24 ASN CA C 13 53.901 . . 1 . . . . . . . . 6432 1 152 . 1 1 24 24 ASN HA H 1 4.630 . . 1 . . . . . . . . 6432 1 153 . 1 1 24 24 ASN CB C 13 38.551 . . 1 . . . . . . . . 6432 1 154 . 1 1 24 24 ASN HB2 H 1 2.811 . . 2 . . . . . . . . 6432 1 155 . 1 1 24 24 ASN C C 13 175.770 . . 1 . . . . . . . . 6432 1 156 . 1 1 25 25 LEU N N 15 122.502 . . 1 . . . . . . . . 6432 1 157 . 1 1 25 25 LEU H H 1 8.185 . . 1 . . . . . . . . 6432 1 158 . 1 1 25 25 LEU CA C 13 55.831 . . 1 . . . . . . . . 6432 1 159 . 1 1 25 25 LEU HA H 1 4.280 . . 1 . . . . . . . . 6432 1 160 . 1 1 25 25 LEU CB C 13 42.116 . . 1 . . . . . . . . 6432 1 161 . 1 1 25 25 LEU HB2 H 1 1.642 . . 2 . . . . . . . . 6432 1 162 . 1 1 25 25 LEU CG C 13 26.883 . . 1 . . . . . . . . 6432 1 163 . 1 1 25 25 LEU HG H 1 1.623 . . 1 . . . . . . . . 6432 1 164 . 1 1 25 25 LEU CD1 C 13 23.428 . . 1 . . . . . . . . 6432 1 165 . 1 1 25 25 LEU HD11 H 1 0.854 . . 2 . . . . . . . . 6432 1 166 . 1 1 25 25 LEU HD12 H 1 0.854 . . 2 . . . . . . . . 6432 1 167 . 1 1 25 25 LEU HD13 H 1 0.854 . . 2 . . . . . . . . 6432 1 168 . 1 1 25 25 LEU CD2 C 13 25.000 . . 1 . . . . . . . . 6432 1 169 . 1 1 25 25 LEU HD21 H 1 0.912 . . 2 . . . . . . . . 6432 1 170 . 1 1 25 25 LEU HD22 H 1 0.912 . . 2 . . . . . . . . 6432 1 171 . 1 1 25 25 LEU HD23 H 1 0.912 . . 2 . . . . . . . . 6432 1 172 . 1 1 25 25 LEU C C 13 177.834 . . 1 . . . . . . . . 6432 1 173 . 1 1 26 26 GLU N N 15 121.203 . . 1 . . . . . . . . 6432 1 174 . 1 1 26 26 GLU H H 1 8.221 . . 1 . . . . . . . . 6432 1 175 . 1 1 26 26 GLU CA C 13 57.260 . . 1 . . . . . . . . 6432 1 176 . 1 1 26 26 GLU HA H 1 4.182 . . 1 . . . . . . . . 6432 1 177 . 1 1 26 26 GLU CB C 13 29.988 . . 1 . . . . . . . . 6432 1 178 . 1 1 26 26 GLU HB2 H 1 2.019 . . 2 . . . . . . . . 6432 1 179 . 1 1 26 26 GLU CG C 13 36.145 . . 1 . . . . . . . . 6432 1 180 . 1 1 26 26 GLU HG2 H 1 2.278 . . 2 . . . . . . . . 6432 1 181 . 1 1 26 26 GLU C C 13 177.165 . . 1 . . . . . . . . 6432 1 182 . 1 1 27 27 LYS N N 15 121.881 . . 1 . . . . . . . . 6432 1 183 . 1 1 27 27 LYS H H 1 8.192 . . 1 . . . . . . . . 6432 1 184 . 1 1 27 27 LYS CA C 13 56.857 . . 1 . . . . . . . . 6432 1 185 . 1 1 27 27 LYS HA H 1 4.215 . . 1 . . . . . . . . 6432 1 186 . 1 1 27 27 LYS CB C 13 32.802 . . 1 . . . . . . . . 6432 1 187 . 1 1 27 27 LYS HB2 H 1 1.808 . . 2 . . . . . . . . 6432 1 188 . 1 1 27 27 LYS CG C 13 24.797 . . 1 . . . . . . . . 6432 1 189 . 1 1 27 27 LYS HG2 H 1 1.464 . . 2 . . . . . . . . 6432 1 190 . 1 1 27 27 LYS CD C 13 29.036 . . 1 . . . . . . . . 6432 1 191 . 1 1 27 27 LYS HD2 H 1 1.717 . . 2 . . . . . . . . 6432 1 192 . 1 1 27 27 LYS CE C 13 42.303 . . 1 . . . . . . . . 6432 1 193 . 1 1 27 27 LYS HE2 H 1 2.997 . . 2 . . . . . . . . 6432 1 194 . 1 1 27 27 LYS C C 13 176.900 . . 1 . . . . . . . . 6432 1 195 . 1 1 28 28 ALA N N 15 124.321 . . 1 . . . . . . . . 6432 1 196 . 1 1 28 28 ALA H H 1 8.157 . . 1 . . . . . . . . 6432 1 197 . 1 1 28 28 ALA CA C 13 52.970 . . 1 . . . . . . . . 6432 1 198 . 1 1 28 28 ALA HA H 1 4.250 . . 1 . . . . . . . . 6432 1 199 . 1 1 28 28 ALA CB C 13 18.988 . . 1 . . . . . . . . 6432 1 200 . 1 1 28 28 ALA HB1 H 1 1.399 . . 1 . . . . . . . . 6432 1 201 . 1 1 28 28 ALA HB2 H 1 1.399 . . 1 . . . . . . . . 6432 1 202 . 1 1 28 28 ALA HB3 H 1 1.399 . . 1 . . . . . . . . 6432 1 203 . 1 1 28 28 ALA C C 13 178.202 . . 1 . . . . . . . . 6432 1 204 . 1 1 29 29 LYS N N 15 120.423 . . 1 . . . . . . . . 6432 1 205 . 1 1 29 29 LYS H H 1 8.175 . . 1 . . . . . . . . 6432 1 206 . 1 1 29 29 LYS CA C 13 56.667 . . 1 . . . . . . . . 6432 1 207 . 1 1 29 29 LYS HA H 1 4.223 . . 1 . . . . . . . . 6432 1 208 . 1 1 29 29 LYS CB C 13 32.958 . . 1 . . . . . . . . 6432 1 209 . 1 1 29 29 LYS HB2 H 1 1.802 . . 2 . . . . . . . . 6432 1 210 . 1 1 29 29 LYS CG C 13 24.814 . . 1 . . . . . . . . 6432 1 211 . 1 1 29 29 LYS HG2 H 1 1.462 . . 2 . . . . . . . . 6432 1 212 . 1 1 29 29 LYS CD C 13 29.087 . . 1 . . . . . . . . 6432 1 213 . 1 1 29 29 LYS HD2 H 1 1.719 . . 2 . . . . . . . . 6432 1 214 . 1 1 29 29 LYS CE C 13 42.250 . . 1 . . . . . . . . 6432 1 215 . 1 1 29 29 LYS HE2 H 1 2.992 . . 2 . . . . . . . . 6432 1 216 . 1 1 29 29 LYS C C 13 176.765 . . 1 . . . . . . . . 6432 1 217 . 1 1 30 30 ALA N N 15 124.776 . . 1 . . . . . . . . 6432 1 218 . 1 1 30 30 ALA H H 1 8.166 . . 1 . . . . . . . . 6432 1 219 . 1 1 30 30 ALA CA C 13 52.594 . . 1 . . . . . . . . 6432 1 220 . 1 1 30 30 ALA HA H 1 4.274 . . 1 . . . . . . . . 6432 1 221 . 1 1 30 30 ALA CB C 13 19.137 . . 1 . . . . . . . . 6432 1 222 . 1 1 30 30 ALA HB1 H 1 1.390 . . 1 . . . . . . . . 6432 1 223 . 1 1 30 30 ALA HB2 H 1 1.390 . . 1 . . . . . . . . 6432 1 224 . 1 1 30 30 ALA HB3 H 1 1.390 . . 1 . . . . . . . . 6432 1 225 . 1 1 30 30 ALA C C 13 177.542 . . 1 . . . . . . . . 6432 1 226 . 1 1 31 31 ALA N N 15 123.240 . . 1 . . . . . . . . 6432 1 227 . 1 1 31 31 ALA H H 1 8.189 . . 1 . . . . . . . . 6432 1 228 . 1 1 31 31 ALA CA C 13 52.655 . . 1 . . . . . . . . 6432 1 229 . 1 1 31 31 ALA HA H 1 4.305 . . 1 . . . . . . . . 6432 1 230 . 1 1 31 31 ALA CB C 13 19.252 . . 1 . . . . . . . . 6432 1 231 . 1 1 31 31 ALA HB1 H 1 1.404 . . 1 . . . . . . . . 6432 1 232 . 1 1 31 31 ALA HB2 H 1 1.404 . . 1 . . . . . . . . 6432 1 233 . 1 1 31 31 ALA HB3 H 1 1.404 . . 1 . . . . . . . . 6432 1 234 . 1 1 31 31 ALA C C 13 178.317 . . 1 . . . . . . . . 6432 1 235 . 1 1 32 32 GLY N N 15 107.913 . . 1 . . . . . . . . 6432 1 236 . 1 1 32 32 GLY H H 1 8.283 . . 1 . . . . . . . . 6432 1 237 . 1 1 32 32 GLY CA C 13 45.255 . . 1 . . . . . . . . 6432 1 238 . 1 1 32 32 GLY HA2 H 1 3.962 . . 2 . . . . . . . . 6432 1 239 . 1 1 32 32 GLY C C 13 174.348 . . 1 . . . . . . . . 6432 1 240 . 1 1 33 33 LYS N N 15 120.948 . . 1 . . . . . . . . 6432 1 241 . 1 1 33 33 LYS H H 1 8.250 . . 1 . . . . . . . . 6432 1 242 . 1 1 33 33 LYS CA C 13 56.519 . . 1 . . . . . . . . 6432 1 243 . 1 1 33 33 LYS HA H 1 4.332 . . 1 . . . . . . . . 6432 1 244 . 1 1 33 33 LYS CB C 13 32.969 . . 1 . . . . . . . . 6432 1 245 . 1 1 33 33 LYS HB2 H 1 1.823 . . 2 . . . . . . . . 6432 1 246 . 1 1 33 33 LYS CG C 13 24.648 . . 1 . . . . . . . . 6432 1 247 . 1 1 33 33 LYS HG2 H 1 1.442 . . 2 . . . . . . . . 6432 1 248 . 1 1 33 33 LYS CD C 13 28.969 . . 1 . . . . . . . . 6432 1 249 . 1 1 33 33 LYS HD2 H 1 1.701 . . 2 . . . . . . . . 6432 1 250 . 1 1 33 33 LYS CE C 13 42.330 . . 1 . . . . . . . . 6432 1 251 . 1 1 33 33 LYS HE2 H 1 2.995 . . 2 . . . . . . . . 6432 1 252 . 1 1 33 33 LYS C C 13 177.347 . . 1 . . . . . . . . 6432 1 253 . 1 1 34 34 GLY N N 15 110.109 . . 1 . . . . . . . . 6432 1 254 . 1 1 34 34 GLY H H 1 8.513 . . 1 . . . . . . . . 6432 1 255 . 1 1 34 34 GLY CA C 13 45.399 . . 1 . . . . . . . . 6432 1 256 . 1 1 34 34 GLY HA2 H 1 3.985 . . 2 . . . . . . . . 6432 1 257 . 1 1 34 34 GLY C C 13 174.408 . . 1 . . . . . . . . 6432 1 258 . 1 1 35 35 SER N N 15 115.764 . . 1 . . . . . . . . 6432 1 259 . 1 1 35 35 SER H H 1 8.239 . . 1 . . . . . . . . 6432 1 260 . 1 1 35 35 SER CA C 13 58.565 . . 1 . . . . . . . . 6432 1 261 . 1 1 35 35 SER HA H 1 4.418 . . 1 . . . . . . . . 6432 1 262 . 1 1 35 35 SER CB C 13 63.886 . . 1 . . . . . . . . 6432 1 263 . 1 1 35 35 SER HB2 H 1 3.876 . . 2 . . . . . . . . 6432 1 264 . 1 1 35 35 SER C C 13 174.900 . . 1 . . . . . . . . 6432 1 265 . 1 1 36 36 GLN N N 15 122.387 . . 1 . . . . . . . . 6432 1 266 . 1 1 36 36 GLN H H 1 8.508 . . 1 . . . . . . . . 6432 1 267 . 1 1 36 36 GLN CA C 13 56.185 . . 1 . . . . . . . . 6432 1 268 . 1 1 36 36 GLN HA H 1 4.321 . . 1 . . . . . . . . 6432 1 269 . 1 1 36 36 GLN CB C 13 29.103 . . 1 . . . . . . . . 6432 1 270 . 1 1 36 36 GLN HB3 H 1 2.022 . . 2 . . . . . . . . 6432 1 271 . 1 1 36 36 GLN HB2 H 1 2.100 . . 2 . . . . . . . . 6432 1 272 . 1 1 36 36 GLN CG C 13 33.764 . . 1 . . . . . . . . 6432 1 273 . 1 1 36 36 GLN HG2 H 1 2.368 . . 2 . . . . . . . . 6432 1 274 . 1 1 36 36 GLN C C 13 176.126 . . 1 . . . . . . . . 6432 1 275 . 1 1 37 37 LEU N N 15 122.632 . . 1 . . . . . . . . 6432 1 276 . 1 1 37 37 LEU H H 1 8.165 . . 1 . . . . . . . . 6432 1 277 . 1 1 37 37 LEU CA C 13 55.747 . . 1 . . . . . . . . 6432 1 278 . 1 1 37 37 LEU HA H 1 4.270 . . 1 . . . . . . . . 6432 1 279 . 1 1 37 37 LEU CB C 13 42.222 . . 1 . . . . . . . . 6432 1 280 . 1 1 37 37 LEU HB2 H 1 1.604 . . 2 . . . . . . . . 6432 1 281 . 1 1 37 37 LEU CG C 13 27.007 . . 1 . . . . . . . . 6432 1 282 . 1 1 37 37 LEU CD1 C 13 23.629 . . 1 . . . . . . . . 6432 1 283 . 1 1 37 37 LEU HD11 H 1 0.896 . . 2 . . . . . . . . 6432 1 284 . 1 1 37 37 LEU HD12 H 1 0.896 . . 2 . . . . . . . . 6432 1 285 . 1 1 37 37 LEU HD13 H 1 0.896 . . 2 . . . . . . . . 6432 1 286 . 1 1 37 37 LEU CD2 C 13 24.901 . . 1 . . . . . . . . 6432 1 287 . 1 1 37 37 LEU C C 13 177.768 . . 1 . . . . . . . . 6432 1 288 . 1 1 38 38 GLU N N 15 121.399 . . 1 . . . . . . . . 6432 1 289 . 1 1 38 38 GLU H H 1 8.311 . . 1 . . . . . . . . 6432 1 290 . 1 1 38 38 GLU CA C 13 56.925 . . 1 . . . . . . . . 6432 1 291 . 1 1 38 38 GLU HA H 1 4.195 . . 1 . . . . . . . . 6432 1 292 . 1 1 38 38 GLU CB C 13 30.043 . . 1 . . . . . . . . 6432 1 293 . 1 1 38 38 GLU HB3 H 1 1.969 . . 2 . . . . . . . . 6432 1 294 . 1 1 38 38 GLU HB2 H 1 2.045 . . 2 . . . . . . . . 6432 1 295 . 1 1 38 38 GLU CG C 13 36.170 . . 1 . . . . . . . . 6432 1 296 . 1 1 38 38 GLU HG2 H 1 2.264 . . 2 . . . . . . . . 6432 1 297 . 1 1 38 38 GLU C C 13 176.718 . . 1 . . . . . . . . 6432 1 298 . 1 1 39 39 ALA N N 15 124.319 . . 1 . . . . . . . . 6432 1 299 . 1 1 39 39 ALA H H 1 8.227 . . 1 . . . . . . . . 6432 1 300 . 1 1 39 39 ALA CA C 13 53.212 . . 1 . . . . . . . . 6432 1 301 . 1 1 39 39 ALA HA H 1 4.209 . . 1 . . . . . . . . 6432 1 302 . 1 1 39 39 ALA CB C 13 18.981 . . 1 . . . . . . . . 6432 1 303 . 1 1 39 39 ALA HB1 H 1 1.382 . . 1 . . . . . . . . 6432 1 304 . 1 1 39 39 ALA HB2 H 1 1.382 . . 1 . . . . . . . . 6432 1 305 . 1 1 39 39 ALA HB3 H 1 1.382 . . 1 . . . . . . . . 6432 1 306 . 1 1 39 39 ALA C C 13 177.958 . . 1 . . . . . . . . 6432 1 307 . 1 1 40 40 ASN N N 15 117.028 . . 1 . . . . . . . . 6432 1 308 . 1 1 40 40 ASN H H 1 8.291 . . 1 . . . . . . . . 6432 1 309 . 1 1 40 40 ASN CA C 13 53.519 . . 1 . . . . . . . . 6432 1 310 . 1 1 40 40 ASN HA H 1 4.629 . . 1 . . . . . . . . 6432 1 311 . 1 1 40 40 ASN CB C 13 38.574 . . 1 . . . . . . . . 6432 1 312 . 1 1 40 40 ASN HB2 H 1 2.818 . . 2 . . . . . . . . 6432 1 313 . 1 1 40 40 ASN C C 13 175.584 . . 1 . . . . . . . . 6432 1 314 . 1 1 41 41 LYS N N 15 121.472 . . 1 . . . . . . . . 6432 1 315 . 1 1 41 41 LYS H H 1 8.106 . . 1 . . . . . . . . 6432 1 316 . 1 1 41 41 LYS CA C 13 56.891 . . 1 . . . . . . . . 6432 1 317 . 1 1 41 41 LYS HA H 1 4.241 . . 1 . . . . . . . . 6432 1 318 . 1 1 41 41 LYS CB C 13 32.792 . . 1 . . . . . . . . 6432 1 319 . 1 1 41 41 LYS HB2 H 1 1.812 . . 2 . . . . . . . . 6432 1 320 . 1 1 41 41 LYS CG C 13 25.000 . . 1 . . . . . . . . 6432 1 321 . 1 1 41 41 LYS HG2 H 1 1.433 . . 2 . . . . . . . . 6432 1 322 . 1 1 41 41 LYS CD C 13 29.027 . . 1 . . . . . . . . 6432 1 323 . 1 1 41 41 LYS HD2 H 1 1.700 . . 2 . . . . . . . . 6432 1 324 . 1 1 41 41 LYS CE C 13 42.305 . . 1 . . . . . . . . 6432 1 325 . 1 1 41 41 LYS HE2 H 1 2.982 . . 2 . . . . . . . . 6432 1 326 . 1 1 41 41 LYS C C 13 176.778 . . 1 . . . . . . . . 6432 1 327 . 1 1 42 42 LYS N N 15 121.275 . . 1 . . . . . . . . 6432 1 328 . 1 1 42 42 LYS H H 1 8.145 . . 1 . . . . . . . . 6432 1 329 . 1 1 42 42 LYS CA C 13 56.347 . . 1 . . . . . . . . 6432 1 330 . 1 1 42 42 LYS HA H 1 4.268 . . 1 . . . . . . . . 6432 1 331 . 1 1 42 42 LYS CB C 13 32.918 . . 1 . . . . . . . . 6432 1 332 . 1 1 42 42 LYS HB2 H 1 1.799 . . 2 . . . . . . . . 6432 1 333 . 1 1 42 42 LYS CG C 13 24.829 . . 1 . . . . . . . . 6432 1 334 . 1 1 42 42 LYS HG2 H 1 1.430 . . 2 . . . . . . . . 6432 1 335 . 1 1 42 42 LYS CD C 13 29.023 . . 1 . . . . . . . . 6432 1 336 . 1 1 42 42 LYS HD2 H 1 1.697 . . 2 . . . . . . . . 6432 1 337 . 1 1 42 42 LYS CE C 13 42.320 . . 1 . . . . . . . . 6432 1 338 . 1 1 42 42 LYS HE2 H 1 2.987 . . 2 . . . . . . . . 6432 1 339 . 1 1 42 42 LYS C C 13 176.176 . . 1 . . . . . . . . 6432 1 340 . 1 1 43 43 ALA N N 15 124.236 . . 1 . . . . . . . . 6432 1 341 . 1 1 43 43 ALA H H 1 8.048 . . 1 . . . . . . . . 6432 1 342 . 1 1 43 43 ALA CA C 13 52.485 . . 1 . . . . . . . . 6432 1 343 . 1 1 43 43 ALA HA H 1 4.314 . . 1 . . . . . . . . 6432 1 344 . 1 1 43 43 ALA CB C 13 19.302 . . 1 . . . . . . . . 6432 1 345 . 1 1 43 43 ALA HB1 H 1 1.406 . . 1 . . . . . . . . 6432 1 346 . 1 1 43 43 ALA HB2 H 1 1.406 . . 1 . . . . . . . . 6432 1 347 . 1 1 43 43 ALA HB3 H 1 1.406 . . 1 . . . . . . . . 6432 1 348 . 1 1 43 43 ALA C C 13 177.546 . . 1 . . . . . . . . 6432 1 349 . 1 1 44 44 MET N N 15 121.010 . . 1 . . . . . . . . 6432 1 350 . 1 1 44 44 MET H H 1 8.309 . . 1 . . . . . . . . 6432 1 351 . 1 1 44 44 MET CA C 13 54.595 . . 1 . . . . . . . . 6432 1 352 . 1 1 44 44 MET HA H 1 4.661 . . 1 . . . . . . . . 6432 1 353 . 1 1 44 44 MET CB C 13 31.917 . . 1 . . . . . . . . 6432 1 354 . 1 1 44 44 MET HB3 H 1 2.583 . . 2 . . . . . . . . 6432 1 355 . 1 1 44 44 MET HB2 H 1 2.028 . . 2 . . . . . . . . 6432 1 356 . 1 1 44 44 MET C C 13 175.980 . . 1 . . . . . . . . 6432 1 357 . 1 1 45 45 SER N N 15 114.831 . . 1 . . . . . . . . 6432 1 358 . 1 1 45 45 SER H H 1 7.905 . . 1 . . . . . . . . 6432 1 359 . 1 1 45 45 SER CA C 13 58.281 . . 1 . . . . . . . . 6432 1 360 . 1 1 45 45 SER HA H 1 4.522 . . 1 . . . . . . . . 6432 1 361 . 1 1 45 45 SER CB C 13 64.336 . . 1 . . . . . . . . 6432 1 362 . 1 1 45 45 SER HB3 H 1 3.778 . . 2 . . . . . . . . 6432 1 363 . 1 1 45 45 SER HB2 H 1 3.833 . . 2 . . . . . . . . 6432 1 364 . 1 1 45 45 SER C C 13 173.968 . . 1 . . . . . . . . 6432 1 365 . 1 1 46 46 ILE N N 15 122.873 . . 1 . . . . . . . . 6432 1 366 . 1 1 46 46 ILE H H 1 8.480 . . 1 . . . . . . . . 6432 1 367 . 1 1 46 46 ILE CA C 13 60.917 . . 1 . . . . . . . . 6432 1 368 . 1 1 46 46 ILE HA H 1 4.203 . . 1 . . . . . . . . 6432 1 369 . 1 1 46 46 ILE CB C 13 39.882 . . 1 . . . . . . . . 6432 1 370 . 1 1 46 46 ILE HB H 1 1.649 . . 1 . . . . . . . . 6432 1 371 . 1 1 46 46 ILE CG1 C 13 27.670 . . 2 . . . . . . . . 6432 1 372 . 1 1 46 46 ILE HG13 H 1 0.563 . . 1 . . . . . . . . 6432 1 373 . 1 1 46 46 ILE HG12 H 1 1.358 . . 1 . . . . . . . . 6432 1 374 . 1 1 46 46 ILE CD1 C 13 13.695 . . 1 . . . . . . . . 6432 1 375 . 1 1 46 46 ILE HD11 H 1 0.551 . . 1 . . . . . . . . 6432 1 376 . 1 1 46 46 ILE HD12 H 1 0.551 . . 1 . . . . . . . . 6432 1 377 . 1 1 46 46 ILE HD13 H 1 0.551 . . 1 . . . . . . . . 6432 1 378 . 1 1 46 46 ILE CG2 C 13 18.382 . . 1 . . . . . . . . 6432 1 379 . 1 1 46 46 ILE HG21 H 1 0.776 . . 1 . . . . . . . . 6432 1 380 . 1 1 46 46 ILE HG22 H 1 0.776 . . 1 . . . . . . . . 6432 1 381 . 1 1 46 46 ILE HG23 H 1 0.776 . . 1 . . . . . . . . 6432 1 382 . 1 1 46 46 ILE C C 13 174.181 . . 1 . . . . . . . . 6432 1 383 . 1 1 47 47 GLN N N 15 125.907 . . 1 . . . . . . . . 6432 1 384 . 1 1 47 47 GLN H H 1 8.360 . . 1 . . . . . . . . 6432 1 385 . 1 1 47 47 GLN CA C 13 53.934 . . 1 . . . . . . . . 6432 1 386 . 1 1 47 47 GLN HA H 1 5.397 . . 1 . . . . . . . . 6432 1 387 . 1 1 47 47 GLN CB C 13 33.171 . . 1 . . . . . . . . 6432 1 388 . 1 1 47 47 GLN HB2 H 1 1.786 . . 2 . . . . . . . . 6432 1 389 . 1 1 47 47 GLN HG2 H 1 1.998 . . 2 . . . . . . . . 6432 1 390 . 1 1 47 47 GLN NE2 N 15 111.785 . . 1 . . . . . . . . 6432 1 391 . 1 1 47 47 GLN HE21 H 1 7.123 . . 2 . . . . . . . . 6432 1 392 . 1 1 47 47 GLN HE22 H 1 6.689 . . 2 . . . . . . . . 6432 1 393 . 1 1 47 47 GLN C C 13 174.765 . . 1 . . . . . . . . 6432 1 394 . 1 1 48 48 CYS N N 15 127.428 . . 1 . . . . . . . . 6432 1 395 . 1 1 48 48 CYS H H 1 8.686 . . 1 . . . . . . . . 6432 1 396 . 1 1 48 48 CYS CA C 13 58.288 . . 1 . . . . . . . . 6432 1 397 . 1 1 48 48 CYS HA H 1 3.874 . . 1 . . . . . . . . 6432 1 398 . 1 1 48 48 CYS CB C 13 29.678 . . 1 . . . . . . . . 6432 1 399 . 1 1 48 48 CYS HB3 H 1 2.600 . . 2 . . . . . . . . 6432 1 400 . 1 1 48 48 CYS HB2 H 1 3.103 . . 2 . . . . . . . . 6432 1 401 . 1 1 48 48 CYS C C 13 177.863 . . 1 . . . . . . . . 6432 1 402 . 1 1 49 49 LYS N N 15 129.703 . . 1 . . . . . . . . 6432 1 403 . 1 1 49 49 LYS H H 1 9.829 . . 1 . . . . . . . . 6432 1 404 . 1 1 49 49 LYS CA C 13 56.127 . . 1 . . . . . . . . 6432 1 405 . 1 1 49 49 LYS HA H 1 4.155 . . 1 . . . . . . . . 6432 1 406 . 1 1 49 49 LYS CB C 13 30.620 . . 1 . . . . . . . . 6432 1 407 . 1 1 49 49 LYS HB3 H 1 1.919 . . 2 . . . . . . . . 6432 1 408 . 1 1 49 49 LYS HB2 H 1 2.097 . . 2 . . . . . . . . 6432 1 409 . 1 1 49 49 LYS CG C 13 24.443 . . 1 . . . . . . . . 6432 1 410 . 1 1 49 49 LYS HG2 H 1 1.579 . . 2 . . . . . . . . 6432 1 411 . 1 1 49 49 LYS CD C 13 27.740 . . 1 . . . . . . . . 6432 1 412 . 1 1 49 49 LYS CE C 13 42.441 . . 1 . . . . . . . . 6432 1 413 . 1 1 49 49 LYS HE2 H 1 3.049 . . 2 . . . . . . . . 6432 1 414 . 1 1 49 49 LYS C C 13 176.938 . . 1 . . . . . . . . 6432 1 415 . 1 1 50 50 VAL N N 15 120.881 . . 1 . . . . . . . . 6432 1 416 . 1 1 50 50 VAL H H 1 8.709 . . 1 . . . . . . . . 6432 1 417 . 1 1 50 50 VAL CA C 13 65.045 . . 1 . . . . . . . . 6432 1 418 . 1 1 50 50 VAL HA H 1 3.829 . . 1 . . . . . . . . 6432 1 419 . 1 1 50 50 VAL CB C 13 32.233 . . 1 . . . . . . . . 6432 1 420 . 1 1 50 50 VAL HB H 1 0.897 . . 1 . . . . . . . . 6432 1 421 . 1 1 50 50 VAL HG21 H 1 0.383 . . 2 . . . . . . . . 6432 1 422 . 1 1 50 50 VAL HG22 H 1 0.383 . . 2 . . . . . . . . 6432 1 423 . 1 1 50 50 VAL HG23 H 1 0.383 . . 2 . . . . . . . . 6432 1 424 . 1 1 50 50 VAL CG1 C 13 23.518 . . 1 . . . . . . . . 6432 1 425 . 1 1 50 50 VAL HG11 H 1 0.593 . . 2 . . . . . . . . 6432 1 426 . 1 1 50 50 VAL HG12 H 1 0.593 . . 2 . . . . . . . . 6432 1 427 . 1 1 50 50 VAL HG13 H 1 0.593 . . 2 . . . . . . . . 6432 1 428 . 1 1 50 50 VAL C C 13 176.653 . . 1 . . . . . . . . 6432 1 429 . 1 1 51 51 CYS N N 15 116.622 . . 1 . . . . . . . . 6432 1 430 . 1 1 51 51 CYS H H 1 8.078 . . 1 . . . . . . . . 6432 1 431 . 1 1 51 51 CYS CA C 13 58.474 . . 1 . . . . . . . . 6432 1 432 . 1 1 51 51 CYS HA H 1 5.086 . . 1 . . . . . . . . 6432 1 433 . 1 1 51 51 CYS CB C 13 31.919 . . 1 . . . . . . . . 6432 1 434 . 1 1 51 51 CYS HB3 H 1 2.990 . . 2 . . . . . . . . 6432 1 435 . 1 1 51 51 CYS HB2 H 1 3.533 . . 2 . . . . . . . . 6432 1 436 . 1 1 51 51 CYS C C 13 175.814 . . 1 . . . . . . . . 6432 1 437 . 1 1 52 52 MET N N 15 117.356 . . 1 . . . . . . . . 6432 1 438 . 1 1 52 52 MET H H 1 8.005 . . 1 . . . . . . . . 6432 1 439 . 1 1 52 52 MET CA C 13 57.158 . . 1 . . . . . . . . 6432 1 440 . 1 1 52 52 MET HA H 1 4.458 . . 1 . . . . . . . . 6432 1 441 . 1 1 52 52 MET CB C 13 28.508 . . 1 . . . . . . . . 6432 1 442 . 1 1 52 52 MET HB3 H 1 2.166 . . 2 . . . . . . . . 6432 1 443 . 1 1 52 52 MET HB2 H 1 2.518 . . 2 . . . . . . . . 6432 1 444 . 1 1 52 52 MET HG3 H 1 2.217 . . 2 . . . . . . . . 6432 1 445 . 1 1 52 52 MET HG2 H 1 2.586 . . 2 . . . . . . . . 6432 1 446 . 1 1 52 52 MET C C 13 175.867 . . 1 . . . . . . . . 6432 1 447 . 1 1 53 53 GLN N N 15 123.892 . . 1 . . . . . . . . 6432 1 448 . 1 1 53 53 GLN H H 1 8.335 . . 1 . . . . . . . . 6432 1 449 . 1 1 53 53 GLN CA C 13 57.896 . . 1 . . . . . . . . 6432 1 450 . 1 1 53 53 GLN HA H 1 4.114 . . 1 . . . . . . . . 6432 1 451 . 1 1 53 53 GLN CB C 13 29.403 . . 1 . . . . . . . . 6432 1 452 . 1 1 53 53 GLN HB3 H 1 1.507 . . 2 . . . . . . . . 6432 1 453 . 1 1 53 53 GLN HB2 H 1 2.334 . . 2 . . . . . . . . 6432 1 454 . 1 1 53 53 GLN CG C 13 33.803 . . 1 . . . . . . . . 6432 1 455 . 1 1 53 53 GLN HG3 H 1 1.761 . . 2 . . . . . . . . 6432 1 456 . 1 1 53 53 GLN HG2 H 1 2.105 . . 2 . . . . . . . . 6432 1 457 . 1 1 53 53 GLN NE2 N 15 113.341 . . 1 . . . . . . . . 6432 1 458 . 1 1 53 53 GLN HE21 H 1 7.016 . . 2 . . . . . . . . 6432 1 459 . 1 1 53 53 GLN HE22 H 1 7.383 . . 2 . . . . . . . . 6432 1 460 . 1 1 53 53 GLN C C 13 174.926 . . 1 . . . . . . . . 6432 1 461 . 1 1 54 54 THR N N 15 116.430 . . 1 . . . . . . . . 6432 1 462 . 1 1 54 54 THR H H 1 8.055 . . 1 . . . . . . . . 6432 1 463 . 1 1 54 54 THR CA C 13 60.922 . . 1 . . . . . . . . 6432 1 464 . 1 1 54 54 THR HA H 1 5.082 . . 1 . . . . . . . . 6432 1 465 . 1 1 54 54 THR CB C 13 70.862 . . 1 . . . . . . . . 6432 1 466 . 1 1 54 54 THR HB H 1 4.084 . . 1 . . . . . . . . 6432 1 467 . 1 1 54 54 THR CG2 C 13 22.388 . . 1 . . . . . . . . 6432 1 468 . 1 1 54 54 THR HG21 H 1 1.172 . . 1 . . . . . . . . 6432 1 469 . 1 1 54 54 THR HG22 H 1 1.172 . . 1 . . . . . . . . 6432 1 470 . 1 1 54 54 THR HG23 H 1 1.172 . . 1 . . . . . . . . 6432 1 471 . 1 1 54 54 THR C C 13 173.808 . . 1 . . . . . . . . 6432 1 472 . 1 1 55 55 PHE N N 15 121.267 . . 1 . . . . . . . . 6432 1 473 . 1 1 55 55 PHE H H 1 9.092 . . 1 . . . . . . . . 6432 1 474 . 1 1 55 55 PHE CA C 13 56.256 . . 1 . . . . . . . . 6432 1 475 . 1 1 55 55 PHE HA H 1 4.687 . . 1 . . . . . . . . 6432 1 476 . 1 1 55 55 PHE CB C 13 41.774 . . 1 . . . . . . . . 6432 1 477 . 1 1 55 55 PHE HB3 H 1 2.490 . . 2 . . . . . . . . 6432 1 478 . 1 1 55 55 PHE HB2 H 1 3.318 . . 2 . . . . . . . . 6432 1 479 . 1 1 55 55 PHE HD1 H 1 7.181 . . 3 . . . . . . . . 6432 1 480 . 1 1 55 55 PHE C C 13 175.044 . . 1 . . . . . . . . 6432 1 481 . 1 1 56 56 ILE N N 15 119.149 . . 1 . . . . . . . . 6432 1 482 . 1 1 56 56 ILE H H 1 8.544 . . 1 . . . . . . . . 6432 1 483 . 1 1 56 56 ILE CA C 13 62.095 . . 1 . . . . . . . . 6432 1 484 . 1 1 56 56 ILE HA H 1 4.496 . . 1 . . . . . . . . 6432 1 485 . 1 1 56 56 ILE CB C 13 39.014 . . 1 . . . . . . . . 6432 1 486 . 1 1 56 56 ILE HB H 1 1.995 . . 1 . . . . . . . . 6432 1 487 . 1 1 56 56 ILE CG1 C 13 27.991 . . 2 . . . . . . . . 6432 1 488 . 1 1 56 56 ILE HG13 H 1 1.517 . . 1 . . . . . . . . 6432 1 489 . 1 1 56 56 ILE HG12 H 1 1.371 . . 1 . . . . . . . . 6432 1 490 . 1 1 56 56 ILE CD1 C 13 14.007 . . 1 . . . . . . . . 6432 1 491 . 1 1 56 56 ILE HD11 H 1 0.917 . . 1 . . . . . . . . 6432 1 492 . 1 1 56 56 ILE HD12 H 1 0.917 . . 1 . . . . . . . . 6432 1 493 . 1 1 56 56 ILE HD13 H 1 0.917 . . 1 . . . . . . . . 6432 1 494 . 1 1 56 56 ILE CG2 C 13 17.236 . . 1 . . . . . . . . 6432 1 495 . 1 1 56 56 ILE HG21 H 1 1.002 . . 1 . . . . . . . . 6432 1 496 . 1 1 56 56 ILE HG22 H 1 1.002 . . 1 . . . . . . . . 6432 1 497 . 1 1 56 56 ILE HG23 H 1 1.002 . . 1 . . . . . . . . 6432 1 498 . 1 1 56 56 ILE C C 13 178.873 . . 1 . . . . . . . . 6432 1 499 . 1 1 57 57 CYS N N 15 122.531 . . 1 . . . . . . . . 6432 1 500 . 1 1 57 57 CYS H H 1 8.870 . . 1 . . . . . . . . 6432 1 501 . 1 1 57 57 CYS CA C 13 60.779 . . 1 . . . . . . . . 6432 1 502 . 1 1 57 57 CYS HA H 1 4.275 . . 1 . . . . . . . . 6432 1 503 . 1 1 57 57 CYS CB C 13 27.433 . . 1 . . . . . . . . 6432 1 504 . 1 1 57 57 CYS HB2 H 1 3.061 . . 2 . . . . . . . . 6432 1 505 . 1 1 57 57 CYS C C 13 174.124 . . 1 . . . . . . . . 6432 1 506 . 1 1 58 58 THR N N 15 110.197 . . 1 . . . . . . . . 6432 1 507 . 1 1 58 58 THR H H 1 7.081 . . 1 . . . . . . . . 6432 1 508 . 1 1 58 58 THR CA C 13 61.353 . . 1 . . . . . . . . 6432 1 509 . 1 1 58 58 THR HA H 1 4.298 . . 1 . . . . . . . . 6432 1 510 . 1 1 58 58 THR CB C 13 68.249 . . 1 . . . . . . . . 6432 1 511 . 1 1 58 58 THR HB H 1 4.568 . . 1 . . . . . . . . 6432 1 512 . 1 1 58 58 THR CG2 C 13 22.644 . . 1 . . . . . . . . 6432 1 513 . 1 1 58 58 THR HG21 H 1 1.262 . . 1 . . . . . . . . 6432 1 514 . 1 1 58 58 THR HG22 H 1 1.262 . . 1 . . . . . . . . 6432 1 515 . 1 1 58 58 THR HG23 H 1 1.262 . . 1 . . . . . . . . 6432 1 516 . 1 1 58 58 THR C C 13 174.415 . . 1 . . . . . . . . 6432 1 517 . 1 1 59 59 THR N N 15 120.226 . . 1 . . . . . . . . 6432 1 518 . 1 1 59 59 THR H H 1 7.820 . . 1 . . . . . . . . 6432 1 519 . 1 1 59 59 THR CA C 13 65.358 . . 1 . . . . . . . . 6432 1 520 . 1 1 59 59 THR HA H 1 4.317 . . 1 . . . . . . . . 6432 1 521 . 1 1 59 59 THR CB C 13 69.146 . . 1 . . . . . . . . 6432 1 522 . 1 1 59 59 THR HB H 1 3.880 . . 1 . . . . . . . . 6432 1 523 . 1 1 59 59 THR CG2 C 13 22.329 . . 1 . . . . . . . . 6432 1 524 . 1 1 59 59 THR HG21 H 1 1.157 . . 1 . . . . . . . . 6432 1 525 . 1 1 59 59 THR HG22 H 1 1.157 . . 1 . . . . . . . . 6432 1 526 . 1 1 59 59 THR HG23 H 1 1.157 . . 1 . . . . . . . . 6432 1 527 . 1 1 59 59 THR C C 13 174.144 . . 1 . . . . . . . . 6432 1 528 . 1 1 60 60 SER N N 15 124.242 . . 1 . . . . . . . . 6432 1 529 . 1 1 60 60 SER H H 1 8.497 . . 1 . . . . . . . . 6432 1 530 . 1 1 60 60 SER CA C 13 57.633 . . 1 . . . . . . . . 6432 1 531 . 1 1 60 60 SER HA H 1 4.344 . . 1 . . . . . . . . 6432 1 532 . 1 1 60 60 SER CB C 13 65.074 . . 1 . . . . . . . . 6432 1 533 . 1 1 60 60 SER HB2 H 1 4.037 . . 2 . . . . . . . . 6432 1 534 . 1 1 60 60 SER C C 13 174.955 . . 1 . . . . . . . . 6432 1 535 . 1 1 61 61 GLU N N 15 122.953 . . 1 . . . . . . . . 6432 1 536 . 1 1 61 61 GLU H H 1 8.945 . . 1 . . . . . . . . 6432 1 537 . 1 1 61 61 GLU CA C 13 59.977 . . 1 . . . . . . . . 6432 1 538 . 1 1 61 61 GLU HA H 1 3.792 . . 1 . . . . . . . . 6432 1 539 . 1 1 61 61 GLU CB C 13 28.716 . . 1 . . . . . . . . 6432 1 540 . 1 1 61 61 GLU HB3 H 1 1.971 . . 2 . . . . . . . . 6432 1 541 . 1 1 61 61 GLU HB2 H 1 2.070 . . 2 . . . . . . . . 6432 1 542 . 1 1 61 61 GLU CG C 13 36.132 . . 1 . . . . . . . . 6432 1 543 . 1 1 61 61 GLU HG3 H 1 2.125 . . 2 . . . . . . . . 6432 1 544 . 1 1 61 61 GLU HG2 H 1 2.301 . . 2 . . . . . . . . 6432 1 545 . 1 1 61 61 GLU C C 13 178.534 . . 1 . . . . . . . . 6432 1 546 . 1 1 62 62 VAL N N 15 117.591 . . 1 . . . . . . . . 6432 1 547 . 1 1 62 62 VAL H H 1 7.805 . . 1 . . . . . . . . 6432 1 548 . 1 1 62 62 VAL CA C 13 66.155 . . 1 . . . . . . . . 6432 1 549 . 1 1 62 62 VAL HA H 1 3.601 . . 1 . . . . . . . . 6432 1 550 . 1 1 62 62 VAL CB C 13 31.875 . . 1 . . . . . . . . 6432 1 551 . 1 1 62 62 VAL HB H 1 1.945 . . 1 . . . . . . . . 6432 1 552 . 1 1 62 62 VAL CG2 C 13 20.807 . . 1 . . . . . . . . 6432 1 553 . 1 1 62 62 VAL HG21 H 1 0.903 . . 2 . . . . . . . . 6432 1 554 . 1 1 62 62 VAL HG22 H 1 0.903 . . 2 . . . . . . . . 6432 1 555 . 1 1 62 62 VAL HG23 H 1 0.903 . . 2 . . . . . . . . 6432 1 556 . 1 1 62 62 VAL HG11 H 1 1.022 . . 2 . . . . . . . . 6432 1 557 . 1 1 62 62 VAL HG12 H 1 1.022 . . 2 . . . . . . . . 6432 1 558 . 1 1 62 62 VAL HG13 H 1 1.022 . . 2 . . . . . . . . 6432 1 559 . 1 1 62 62 VAL C C 13 177.723 . . 1 . . . . . . . . 6432 1 560 . 1 1 63 63 LYS N N 15 120.612 . . 1 . . . . . . . . 6432 1 561 . 1 1 63 63 LYS H H 1 7.516 . . 1 . . . . . . . . 6432 1 562 . 1 1 63 63 LYS CA C 13 58.330 . . 1 . . . . . . . . 6432 1 563 . 1 1 63 63 LYS HA H 1 4.091 . . 1 . . . . . . . . 6432 1 564 . 1 1 63 63 LYS CB C 13 31.605 . . 1 . . . . . . . . 6432 1 565 . 1 1 63 63 LYS HB3 H 1 1.696 . . 2 . . . . . . . . 6432 1 566 . 1 1 63 63 LYS HB2 H 1 1.940 . . 2 . . . . . . . . 6432 1 567 . 1 1 63 63 LYS CG C 13 25.360 . . 1 . . . . . . . . 6432 1 568 . 1 1 63 63 LYS HG2 H 1 1.401 . . 2 . . . . . . . . 6432 1 569 . 1 1 63 63 LYS CD C 13 28.364 . . 1 . . . . . . . . 6432 1 570 . 1 1 63 63 LYS HD2 H 1 1.536 . . 2 . . . . . . . . 6432 1 571 . 1 1 63 63 LYS CE C 13 42.390 . . 1 . . . . . . . . 6432 1 572 . 1 1 63 63 LYS HE2 H 1 3.011 . . 2 . . . . . . . . 6432 1 573 . 1 1 63 63 LYS C C 13 180.335 . . 1 . . . . . . . . 6432 1 574 . 1 1 64 64 CYS N N 15 119.993 . . 1 . . . . . . . . 6432 1 575 . 1 1 64 64 CYS H H 1 7.678 . . 1 . . . . . . . . 6432 1 576 . 1 1 64 64 CYS CA C 13 63.901 . . 1 . . . . . . . . 6432 1 577 . 1 1 64 64 CYS HA H 1 3.197 . . 1 . . . . . . . . 6432 1 578 . 1 1 64 64 CYS CB C 13 25.735 . . 1 . . . . . . . . 6432 1 579 . 1 1 64 64 CYS HB2 H 1 2.504 . . 2 . . . . . . . . 6432 1 580 . 1 1 64 64 CYS C C 13 176.151 . . 1 . . . . . . . . 6432 1 581 . 1 1 65 65 ARG N N 15 120.072 . . 1 . . . . . . . . 6432 1 582 . 1 1 65 65 ARG H H 1 8.267 . . 1 . . . . . . . . 6432 1 583 . 1 1 65 65 ARG CA C 13 60.753 . . 1 . . . . . . . . 6432 1 584 . 1 1 65 65 ARG HA H 1 3.797 . . 1 . . . . . . . . 6432 1 585 . 1 1 65 65 ARG CB C 13 29.276 . . 1 . . . . . . . . 6432 1 586 . 1 1 65 65 ARG HB3 H 1 1.899 . . 2 . . . . . . . . 6432 1 587 . 1 1 65 65 ARG HB2 H 1 1.834 . . 2 . . . . . . . . 6432 1 588 . 1 1 65 65 ARG CG C 13 28.383 . . 1 . . . . . . . . 6432 1 589 . 1 1 65 65 ARG HG2 H 1 1.516 . . 2 . . . . . . . . 6432 1 590 . 1 1 65 65 ARG CD C 13 43.043 . . 1 . . . . . . . . 6432 1 591 . 1 1 65 65 ARG HD3 H 1 3.111 . . 2 . . . . . . . . 6432 1 592 . 1 1 65 65 ARG HD2 H 1 3.258 . . 2 . . . . . . . . 6432 1 593 . 1 1 65 65 ARG C C 13 178.347 . . 1 . . . . . . . . 6432 1 594 . 1 1 66 66 GLU N N 15 118.956 . . 1 . . . . . . . . 6432 1 595 . 1 1 66 66 GLU H H 1 8.448 . . 1 . . . . . . . . 6432 1 596 . 1 1 66 66 GLU CA C 13 59.500 . . 1 . . . . . . . . 6432 1 597 . 1 1 66 66 GLU HA H 1 4.033 . . 1 . . . . . . . . 6432 1 598 . 1 1 66 66 GLU CB C 13 29.734 . . 1 . . . . . . . . 6432 1 599 . 1 1 66 66 GLU HB2 H 1 2.108 . . 2 . . . . . . . . 6432 1 600 . 1 1 66 66 GLU CG C 13 36.559 . . 1 . . . . . . . . 6432 1 601 . 1 1 66 66 GLU HG3 H 1 2.187 . . 2 . . . . . . . . 6432 1 602 . 1 1 66 66 GLU HG2 H 1 2.525 . . 2 . . . . . . . . 6432 1 603 . 1 1 66 66 GLU C C 13 179.155 . . 1 . . . . . . . . 6432 1 604 . 1 1 67 67 HIS N N 15 118.003 . . 1 . . . . . . . . 6432 1 605 . 1 1 67 67 HIS H H 1 7.738 . . 1 . . . . . . . . 6432 1 606 . 1 1 67 67 HIS CA C 13 60.113 . . 1 . . . . . . . . 6432 1 607 . 1 1 67 67 HIS HA H 1 4.357 . . 1 . . . . . . . . 6432 1 608 . 1 1 67 67 HIS CB C 13 27.955 . . 1 . . . . . . . . 6432 1 609 . 1 1 67 67 HIS HB3 H 1 3.391 . . 2 . . . . . . . . 6432 1 610 . 1 1 67 67 HIS HB2 H 1 3.653 . . 2 . . . . . . . . 6432 1 611 . 1 1 67 67 HIS HD2 H 1 7.245 . . 3 . . . . . . . . 6432 1 612 . 1 1 67 67 HIS C C 13 176.189 . . 1 . . . . . . . . 6432 1 613 . 1 1 68 68 ALA N N 15 120.591 . . 1 . . . . . . . . 6432 1 614 . 1 1 68 68 ALA H H 1 8.241 . . 1 . . . . . . . . 6432 1 615 . 1 1 68 68 ALA CA C 13 56.152 . . 1 . . . . . . . . 6432 1 616 . 1 1 68 68 ALA HA H 1 4.002 . . 1 . . . . . . . . 6432 1 617 . 1 1 68 68 ALA CB C 13 19.280 . . 1 . . . . . . . . 6432 1 618 . 1 1 68 68 ALA HB1 H 1 1.886 . . 1 . . . . . . . . 6432 1 619 . 1 1 68 68 ALA HB2 H 1 1.886 . . 1 . . . . . . . . 6432 1 620 . 1 1 68 68 ALA HB3 H 1 1.886 . . 1 . . . . . . . . 6432 1 621 . 1 1 68 68 ALA C C 13 179.145 . . 1 . . . . . . . . 6432 1 622 . 1 1 69 69 GLU N N 15 115.906 . . 1 . . . . . . . . 6432 1 623 . 1 1 69 69 GLU H H 1 8.439 . . 1 . . . . . . . . 6432 1 624 . 1 1 69 69 GLU CA C 13 59.116 . . 1 . . . . . . . . 6432 1 625 . 1 1 69 69 GLU HA H 1 3.831 . . 1 . . . . . . . . 6432 1 626 . 1 1 69 69 GLU CB C 13 29.764 . . 1 . . . . . . . . 6432 1 627 . 1 1 69 69 GLU HB2 H 1 1.951 . . 2 . . . . . . . . 6432 1 628 . 1 1 69 69 GLU CG C 13 36.406 . . 1 . . . . . . . . 6432 1 629 . 1 1 69 69 GLU HG3 H 1 2.261 . . 2 . . . . . . . . 6432 1 630 . 1 1 69 69 GLU HG2 H 1 2.432 . . 2 . . . . . . . . 6432 1 631 . 1 1 69 69 GLU C C 13 177.647 . . 1 . . . . . . . . 6432 1 632 . 1 1 70 70 ALA N N 15 117.195 . . 1 . . . . . . . . 6432 1 633 . 1 1 70 70 ALA H H 1 7.844 . . 1 . . . . . . . . 6432 1 634 . 1 1 70 70 ALA CA C 13 54.211 . . 1 . . . . . . . . 6432 1 635 . 1 1 70 70 ALA HA H 1 4.165 . . 1 . . . . . . . . 6432 1 636 . 1 1 70 70 ALA CB C 13 19.488 . . 1 . . . . . . . . 6432 1 637 . 1 1 70 70 ALA HB1 H 1 1.433 . . 1 . . . . . . . . 6432 1 638 . 1 1 70 70 ALA HB2 H 1 1.433 . . 1 . . . . . . . . 6432 1 639 . 1 1 70 70 ALA HB3 H 1 1.433 . . 1 . . . . . . . . 6432 1 640 . 1 1 70 70 ALA C C 13 179.976 . . 1 . . . . . . . . 6432 1 641 . 1 1 71 71 LYS N N 15 112.076 . . 1 . . . . . . . . 6432 1 642 . 1 1 71 71 LYS H H 1 7.964 . . 1 . . . . . . . . 6432 1 643 . 1 1 71 71 LYS CA C 13 54.842 . . 1 . . . . . . . . 6432 1 644 . 1 1 71 71 LYS HA H 1 4.136 . . 1 . . . . . . . . 6432 1 645 . 1 1 71 71 LYS CB C 13 31.089 . . 1 . . . . . . . . 6432 1 646 . 1 1 71 71 LYS HB3 H 1 0.507 . . 2 . . . . . . . . 6432 1 647 . 1 1 71 71 LYS HB2 H 1 0.892 . . 2 . . . . . . . . 6432 1 648 . 1 1 71 71 LYS CG C 13 24.530 . . 1 . . . . . . . . 6432 1 649 . 1 1 71 71 LYS HG2 H 1 1.167 . . 2 . . . . . . . . 6432 1 650 . 1 1 71 71 LYS CD C 13 27.698 . . 1 . . . . . . . . 6432 1 651 . 1 1 71 71 LYS HD2 H 1 1.472 . . 2 . . . . . . . . 6432 1 652 . 1 1 71 71 LYS CE C 13 42.379 . . 1 . . . . . . . . 6432 1 653 . 1 1 71 71 LYS HE2 H 1 2.999 . . 2 . . . . . . . . 6432 1 654 . 1 1 71 71 LYS C C 13 176.547 . . 1 . . . . . . . . 6432 1 655 . 1 1 72 72 HIS N N 15 116.108 . . 1 . . . . . . . . 6432 1 656 . 1 1 72 72 HIS H H 1 7.662 . . 1 . . . . . . . . 6432 1 657 . 1 1 72 72 HIS CA C 13 51.102 . . 1 . . . . . . . . 6432 1 658 . 1 1 72 72 HIS HA H 1 5.399 . . 1 . . . . . . . . 6432 1 659 . 1 1 72 72 HIS CB C 13 28.588 . . 1 . . . . . . . . 6432 1 660 . 1 1 72 72 HIS HB3 H 1 2.890 . . 2 . . . . . . . . 6432 1 661 . 1 1 72 72 HIS HB2 H 1 3.440 . . 2 . . . . . . . . 6432 1 662 . 1 1 72 72 HIS HD2 H 1 6.778 . . 3 . . . . . . . . 6432 1 663 . 1 1 73 73 PRO CA C 13 65.091 . . 1 . . . . . . . . 6432 1 664 . 1 1 73 73 PRO HA H 1 4.336 . . 1 . . . . . . . . 6432 1 665 . 1 1 73 73 PRO CB C 13 31.788 . . 1 . . . . . . . . 6432 1 666 . 1 1 73 73 PRO HB3 H 1 1.950 . . 2 . . . . . . . . 6432 1 667 . 1 1 73 73 PRO HB2 H 1 2.511 . . 2 . . . . . . . . 6432 1 668 . 1 1 73 73 PRO CG C 13 27.661 . . 1 . . . . . . . . 6432 1 669 . 1 1 73 73 PRO HG3 H 1 1.998 . . 2 . . . . . . . . 6432 1 670 . 1 1 73 73 PRO HG2 H 1 1.844 . . 2 . . . . . . . . 6432 1 671 . 1 1 73 73 PRO CD C 13 50.218 . . 1 . . . . . . . . 6432 1 672 . 1 1 73 73 PRO HD3 H 1 3.501 . . 2 . . . . . . . . 6432 1 673 . 1 1 73 73 PRO HD2 H 1 3.068 . . 2 . . . . . . . . 6432 1 674 . 1 1 73 73 PRO C C 13 178.294 . . 1 . . . . . . . . 6432 1 675 . 1 1 74 74 LYS N N 15 115.993 . . 1 . . . . . . . . 6432 1 676 . 1 1 74 74 LYS H H 1 8.474 . . 1 . . . . . . . . 6432 1 677 . 1 1 74 74 LYS CA C 13 56.013 . . 1 . . . . . . . . 6432 1 678 . 1 1 74 74 LYS HA H 1 4.317 . . 1 . . . . . . . . 6432 1 679 . 1 1 74 74 LYS CB C 13 31.524 . . 1 . . . . . . . . 6432 1 680 . 1 1 74 74 LYS HB3 H 1 1.797 . . 2 . . . . . . . . 6432 1 681 . 1 1 74 74 LYS HB2 H 1 1.990 . . 2 . . . . . . . . 6432 1 682 . 1 1 74 74 LYS CG C 13 25.322 . . 1 . . . . . . . . 6432 1 683 . 1 1 74 74 LYS HG2 H 1 1.413 . . 2 . . . . . . . . 6432 1 684 . 1 1 74 74 LYS CD C 13 28.648 . . 1 . . . . . . . . 6432 1 685 . 1 1 74 74 LYS HD2 H 1 1.649 . . 2 . . . . . . . . 6432 1 686 . 1 1 74 74 LYS CE C 13 42.322 . . 1 . . . . . . . . 6432 1 687 . 1 1 74 74 LYS HE2 H 1 2.982 . . 2 . . . . . . . . 6432 1 688 . 1 1 74 74 LYS C C 13 176.360 . . 1 . . . . . . . . 6432 1 689 . 1 1 75 75 ALA N N 15 123.927 . . 1 . . . . . . . . 6432 1 690 . 1 1 75 75 ALA H H 1 7.977 . . 1 . . . . . . . . 6432 1 691 . 1 1 75 75 ALA CA C 13 50.772 . . 1 . . . . . . . . 6432 1 692 . 1 1 75 75 ALA HA H 1 4.442 . . 1 . . . . . . . . 6432 1 693 . 1 1 75 75 ALA CB C 13 20.327 . . 1 . . . . . . . . 6432 1 694 . 1 1 75 75 ALA HB1 H 1 1.247 . . 1 . . . . . . . . 6432 1 695 . 1 1 75 75 ALA HB2 H 1 1.247 . . 1 . . . . . . . . 6432 1 696 . 1 1 75 75 ALA HB3 H 1 1.247 . . 1 . . . . . . . . 6432 1 697 . 1 1 75 75 ALA C C 13 177.268 . . 1 . . . . . . . . 6432 1 698 . 1 1 76 76 ASP N N 15 122.567 . . 1 . . . . . . . . 6432 1 699 . 1 1 76 76 ASP H H 1 8.572 . . 1 . . . . . . . . 6432 1 700 . 1 1 76 76 ASP CA C 13 53.951 . . 1 . . . . . . . . 6432 1 701 . 1 1 76 76 ASP HA H 1 4.658 . . 1 . . . . . . . . 6432 1 702 . 1 1 76 76 ASP CB C 13 41.897 . . 1 . . . . . . . . 6432 1 703 . 1 1 76 76 ASP HB2 H 1 2.648 . . 2 . . . . . . . . 6432 1 704 . 1 1 76 76 ASP C C 13 178.477 . . 1 . . . . . . . . 6432 1 705 . 1 1 77 77 VAL N N 15 128.003 . . 1 . . . . . . . . 6432 1 706 . 1 1 77 77 VAL H H 1 8.955 . . 1 . . . . . . . . 6432 1 707 . 1 1 77 77 VAL CA C 13 67.170 . . 1 . . . . . . . . 6432 1 708 . 1 1 77 77 VAL HA H 1 3.769 . . 1 . . . . . . . . 6432 1 709 . 1 1 77 77 VAL CB C 13 31.377 . . 1 . . . . . . . . 6432 1 710 . 1 1 77 77 VAL HB H 1 2.190 . . 1 . . . . . . . . 6432 1 711 . 1 1 77 77 VAL HG21 H 1 0.989 . . 2 . . . . . . . . 6432 1 712 . 1 1 77 77 VAL HG22 H 1 0.989 . . 2 . . . . . . . . 6432 1 713 . 1 1 77 77 VAL HG23 H 1 0.989 . . 2 . . . . . . . . 6432 1 714 . 1 1 77 77 VAL HG11 H 1 1.154 . . 2 . . . . . . . . 6432 1 715 . 1 1 77 77 VAL HG12 H 1 1.154 . . 2 . . . . . . . . 6432 1 716 . 1 1 77 77 VAL HG13 H 1 1.154 . . 2 . . . . . . . . 6432 1 717 . 1 1 77 77 VAL C C 13 177.689 . . 1 . . . . . . . . 6432 1 718 . 1 1 78 78 VAL N N 15 116.574 . . 1 . . . . . . . . 6432 1 719 . 1 1 78 78 VAL H H 1 8.067 . . 1 . . . . . . . . 6432 1 720 . 1 1 78 78 VAL CA C 13 63.655 . . 1 . . . . . . . . 6432 1 721 . 1 1 78 78 VAL HA H 1 3.901 . . 1 . . . . . . . . 6432 1 722 . 1 1 78 78 VAL CB C 13 31.201 . . 1 . . . . . . . . 6432 1 723 . 1 1 78 78 VAL HB H 1 2.111 . . 1 . . . . . . . . 6432 1 724 . 1 1 78 78 VAL CG2 C 13 21.435 . . 1 . . . . . . . . 6432 1 725 . 1 1 78 78 VAL HG21 H 1 0.900 . . 2 . . . . . . . . 6432 1 726 . 1 1 78 78 VAL HG22 H 1 0.900 . . 2 . . . . . . . . 6432 1 727 . 1 1 78 78 VAL HG23 H 1 0.900 . . 2 . . . . . . . . 6432 1 728 . 1 1 78 78 VAL CG1 C 13 23.243 . . 1 . . . . . . . . 6432 1 729 . 1 1 78 78 VAL C C 13 177.053 . . 1 . . . . . . . . 6432 1 730 . 1 1 79 79 ALA N N 15 122.124 . . 1 . . . . . . . . 6432 1 731 . 1 1 79 79 ALA H H 1 7.379 . . 1 . . . . . . . . 6432 1 732 . 1 1 79 79 ALA CA C 13 53.960 . . 1 . . . . . . . . 6432 1 733 . 1 1 79 79 ALA HA H 1 4.144 . . 1 . . . . . . . . 6432 1 734 . 1 1 79 79 ALA CB C 13 18.279 . . 1 . . . . . . . . 6432 1 735 . 1 1 79 79 ALA HB1 H 1 1.507 . . 1 . . . . . . . . 6432 1 736 . 1 1 79 79 ALA HB2 H 1 1.507 . . 1 . . . . . . . . 6432 1 737 . 1 1 79 79 ALA HB3 H 1 1.507 . . 1 . . . . . . . . 6432 1 738 . 1 1 79 79 ALA C C 13 179.453 . . 1 . . . . . . . . 6432 1 739 . 1 1 80 80 CYS N N 15 114.130 . . 1 . . . . . . . . 6432 1 740 . 1 1 80 80 CYS H H 1 7.124 . . 1 . . . . . . . . 6432 1 741 . 1 1 80 80 CYS CA C 13 61.828 . . 1 . . . . . . . . 6432 1 742 . 1 1 80 80 CYS HA H 1 3.921 . . 1 . . . . . . . . 6432 1 743 . 1 1 80 80 CYS CB C 13 28.393 . . 1 . . . . . . . . 6432 1 744 . 1 1 80 80 CYS HB3 H 1 3.052 . . 2 . . . . . . . . 6432 1 745 . 1 1 80 80 CYS HB2 H 1 3.284 . . 2 . . . . . . . . 6432 1 746 . 1 1 80 80 CYS C C 13 174.255 . . 1 . . . . . . . . 6432 1 747 . 1 1 81 81 PHE N N 15 113.197 . . 1 . . . . . . . . 6432 1 748 . 1 1 81 81 PHE H H 1 8.191 . . 1 . . . . . . . . 6432 1 749 . 1 1 81 81 PHE CA C 13 54.758 . . 1 . . . . . . . . 6432 1 750 . 1 1 81 81 PHE HA H 1 5.310 . . 1 . . . . . . . . 6432 1 751 . 1 1 81 81 PHE CB C 13 40.200 . . 1 . . . . . . . . 6432 1 752 . 1 1 81 81 PHE HB3 H 1 3.199 . . 2 . . . . . . . . 6432 1 753 . 1 1 81 81 PHE HB2 H 1 2.737 . . 2 . . . . . . . . 6432 1 754 . 1 1 82 82 PRO CA C 13 64.596 . . 1 . . . . . . . . 6432 1 755 . 1 1 82 82 PRO HA H 1 4.612 . . 1 . . . . . . . . 6432 1 756 . 1 1 82 82 PRO CB C 13 31.854 . . 1 . . . . . . . . 6432 1 757 . 1 1 82 82 PRO HB3 H 1 2.053 . . 2 . . . . . . . . 6432 1 758 . 1 1 82 82 PRO HB2 H 1 2.473 . . 2 . . . . . . . . 6432 1 759 . 1 1 82 82 PRO CG C 13 27.317 . . 1 . . . . . . . . 6432 1 760 . 1 1 82 82 PRO HG3 H 1 2.124 . . 2 . . . . . . . . 6432 1 761 . 1 1 82 82 PRO HG2 H 1 2.085 . . 2 . . . . . . . . 6432 1 762 . 1 1 82 82 PRO CD C 13 50.496 . . 1 . . . . . . . . 6432 1 763 . 1 1 82 82 PRO HD3 H 1 4.066 . . 2 . . . . . . . . 6432 1 764 . 1 1 82 82 PRO HD2 H 1 3.416 . . 2 . . . . . . . . 6432 1 765 . 1 1 82 82 PRO C C 13 178.385 . . 1 . . . . . . . . 6432 1 766 . 1 1 83 83 HIS N N 15 115.620 . . 1 . . . . . . . . 6432 1 767 . 1 1 83 83 HIS H H 1 8.343 . . 1 . . . . . . . . 6432 1 768 . 1 1 83 83 HIS CA C 13 58.229 . . 1 . . . . . . . . 6432 1 769 . 1 1 83 83 HIS HA H 1 4.605 . . 1 . . . . . . . . 6432 1 770 . 1 1 83 83 HIS CB C 13 29.314 . . 1 . . . . . . . . 6432 1 771 . 1 1 83 83 HIS HB3 H 1 3.014 . . 2 . . . . . . . . 6432 1 772 . 1 1 83 83 HIS HB2 H 1 3.368 . . 2 . . . . . . . . 6432 1 773 . 1 1 83 83 HIS HD2 H 1 6.920 . . 3 . . . . . . . . 6432 1 774 . 1 1 83 83 HIS C C 13 175.982 . . 1 . . . . . . . . 6432 1 775 . 1 1 84 84 LEU N N 15 120.324 . . 1 . . . . . . . . 6432 1 776 . 1 1 84 84 LEU H H 1 7.713 . . 1 . . . . . . . . 6432 1 777 . 1 1 84 84 LEU CA C 13 54.612 . . 1 . . . . . . . . 6432 1 778 . 1 1 84 84 LEU HA H 1 3.988 . . 1 . . . . . . . . 6432 1 779 . 1 1 84 84 LEU CB C 13 41.035 . . 1 . . . . . . . . 6432 1 780 . 1 1 84 84 LEU HB3 H 1 1.391 . . 2 . . . . . . . . 6432 1 781 . 1 1 84 84 LEU HB2 H 1 1.658 . . 2 . . . . . . . . 6432 1 782 . 1 1 84 84 LEU CG C 13 26.013 . . 1 . . . . . . . . 6432 1 783 . 1 1 84 84 LEU HG H 1 0.593 . . 1 . . . . . . . . 6432 1 784 . 1 1 84 84 LEU CD1 C 13 20.824 . . 1 . . . . . . . . 6432 1 785 . 1 1 84 84 LEU HD11 H 1 0.779 . . 2 . . . . . . . . 6432 1 786 . 1 1 84 84 LEU HD12 H 1 0.779 . . 2 . . . . . . . . 6432 1 787 . 1 1 84 84 LEU HD13 H 1 0.779 . . 2 . . . . . . . . 6432 1 788 . 1 1 84 84 LEU CD2 C 13 22.439 . . 1 . . . . . . . . 6432 1 789 . 1 1 84 84 LEU HD21 H 1 0.473 . . 2 . . . . . . . . 6432 1 790 . 1 1 84 84 LEU HD22 H 1 0.473 . . 2 . . . . . . . . 6432 1 791 . 1 1 84 84 LEU HD23 H 1 0.473 . . 2 . . . . . . . . 6432 1 792 . 1 1 84 84 LEU C C 13 176.603 . . 1 . . . . . . . . 6432 1 793 . 1 1 85 85 LYS N N 15 120.836 . . 1 . . . . . . . . 6432 1 794 . 1 1 85 85 LYS H H 1 7.511 . . 1 . . . . . . . . 6432 1 795 . 1 1 85 85 LYS CA C 13 57.288 . . 1 . . . . . . . . 6432 1 796 . 1 1 85 85 LYS HA H 1 4.089 . . 1 . . . . . . . . 6432 1 797 . 1 1 85 85 LYS CB C 13 33.018 . . 1 . . . . . . . . 6432 1 798 . 1 1 85 85 LYS HB3 H 1 1.732 . . 2 . . . . . . . . 6432 1 799 . 1 1 85 85 LYS HB2 H 1 1.910 . . 2 . . . . . . . . 6432 1 800 . 1 1 85 85 LYS CG C 13 24.824 . . 1 . . . . . . . . 6432 1 801 . 1 1 85 85 LYS HG2 H 1 1.471 . . 2 . . . . . . . . 6432 1 802 . 1 1 85 85 LYS CD C 13 29.231 . . 1 . . . . . . . . 6432 1 803 . 1 1 85 85 LYS CE C 13 42.279 . . 1 . . . . . . . . 6432 1 804 . 1 1 85 85 LYS HE2 H 1 2.992 . . 2 . . . . . . . . 6432 1 805 . 1 1 85 85 LYS C C 13 175.199 . . 1 . . . . . . . . 6432 1 806 . 1 1 86 86 LYS N N 15 130.362 . . 1 . . . . . . . . 6432 1 807 . 1 1 86 86 LYS H H 1 8.018 . . 1 . . . . . . . . 6432 1 stop_ save_