data_6358 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6358 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for a bacterial BolA-like protein XC975 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-10 _Entry.Accession_date 2004-10-11 _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 Ko-Hsin Chin . . . 6358 2 Fu-Yang Lin . . . 6358 3 Yu-Chen Hu . . . 6358 4 Kong-Hung Sze . . . 6358 5 Ping-Jiang Lyu . . . 6358 6 Shan-Ho Chou . . . 6358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 514 6358 '13C chemical shifts' 295 6358 '15N chemical shifts' 70 6358 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-04-04 . update author 'chemical shift referencing updated' 6358 2 . . 2005-03-18 . original author 'original release' 6358 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6358 _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 ; Letter to the Editor: NMR structure note - Solution structure of a bacterial BolA-like protein XC975 from a plant pathogen Xanthomonas Campestris pv. campestris ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167 _Citation.Page_last 172 _Citation.Year 2005 _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 Ko-Hsin Chin . . . 6358 1 2 Fu-Yang Lin . . . 6358 1 3 Yu-Chen Hu . . . 6358 1 4 Kong-Hung Sze . . . 6358 1 5 Ping-Jiang Lyu . . . 6358 1 6 Shan-Ho Chou . . . 6358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6358 _Assembly.ID 1 _Assembly.Name 'Xcc975 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 present' _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 monomer 6358 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 'Xcc975 monomer' 1 $XC975_protein . . . native . . . . . 6358 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Xcc975 monomer' system 6358 1 'Xcc975 monomer' abbreviation 6358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XC975_protein _Entity.Sf_category entity _Entity.Sf_framecode XC975_protein _Entity.Entry_ID 6358 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'XC975 protein' _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 ; MRKRPLDAETIRKLIESGLP EARVDVQGEDGVHFEATVVS PAFVGKAPLARHRMVYATLG ELMGGAIHALQLKTLTPDEA ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1XS3 . "Solution Structure Analysis Of The Xc975 Protein" . . . . . 100.00 80 100.00 100.00 3.73e-49 . . . . 6358 1 2 no EMBL CAP50714 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris]" . . . . . 100.00 85 100.00 100.00 4.68e-49 . . . . 6358 1 3 no GB AAM42068 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 4 no GB AAY48386 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. 8004]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 5 no GB AEL08031 . "BolA superfamily transcriptional regulator [Xanthomonas campestris pv. raphani 756C]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 6 no REF NP_638144 . "hypothetical protein XCC2796 [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 7 no REF WP_011037923 . "BolA family transcriptional regulator [Xanthomonas campestris]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 8 no REF WP_012437777 . "BolA family transcriptional regulator [Xanthomonas campestris]" . . . . . 100.00 85 100.00 100.00 4.68e-49 . . . . 6358 1 9 no REF YP_001902770 . "hypothetical protein xccb100_1364 [Xanthomonas campestris pv. campestris str. B100]" . . . . . 100.00 85 100.00 100.00 4.68e-49 . . . . 6358 1 10 no REF YP_005638149 . "BolA superfamily transcriptional regulator [Xanthomonas campestris pv. raphani 756C]" . . . . . 93.75 75 98.67 100.00 1.05e-44 . . . . 6358 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'XC975 protein' common 6358 1 'XC975 protein' abbreviation 6358 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 10 MET . 6358 1 2 11 ARG . 6358 1 3 12 LYS . 6358 1 4 13 ARG . 6358 1 5 14 PRO . 6358 1 6 15 LEU . 6358 1 7 16 ASP . 6358 1 8 17 ALA . 6358 1 9 18 GLU . 6358 1 10 19 THR . 6358 1 11 20 ILE . 6358 1 12 21 ARG . 6358 1 13 22 LYS . 6358 1 14 23 LEU . 6358 1 15 24 ILE . 6358 1 16 25 GLU . 6358 1 17 26 SER . 6358 1 18 27 GLY . 6358 1 19 28 LEU . 6358 1 20 29 PRO . 6358 1 21 30 GLU . 6358 1 22 31 ALA . 6358 1 23 32 ARG . 6358 1 24 33 VAL . 6358 1 25 34 ASP . 6358 1 26 35 VAL . 6358 1 27 36 GLN . 6358 1 28 37 GLY . 6358 1 29 38 GLU . 6358 1 30 39 ASP . 6358 1 31 40 GLY . 6358 1 32 41 VAL . 6358 1 33 42 HIS . 6358 1 34 43 PHE . 6358 1 35 44 GLU . 6358 1 36 45 ALA . 6358 1 37 46 THR . 6358 1 38 47 VAL . 6358 1 39 48 VAL . 6358 1 40 49 SER . 6358 1 41 50 PRO . 6358 1 42 51 ALA . 6358 1 43 52 PHE . 6358 1 44 53 VAL . 6358 1 45 54 GLY . 6358 1 46 55 LYS . 6358 1 47 56 ALA . 6358 1 48 57 PRO . 6358 1 49 58 LEU . 6358 1 50 59 ALA . 6358 1 51 60 ARG . 6358 1 52 61 HIS . 6358 1 53 62 ARG . 6358 1 54 63 MET . 6358 1 55 64 VAL . 6358 1 56 65 TYR . 6358 1 57 66 ALA . 6358 1 58 67 THR . 6358 1 59 68 LEU . 6358 1 60 69 GLY . 6358 1 61 70 GLU . 6358 1 62 71 LEU . 6358 1 63 72 MET . 6358 1 64 73 GLY . 6358 1 65 74 GLY . 6358 1 66 75 ALA . 6358 1 67 76 ILE . 6358 1 68 77 HIS . 6358 1 69 78 ALA . 6358 1 70 79 LEU . 6358 1 71 80 GLN . 6358 1 72 81 LEU . 6358 1 73 82 LYS . 6358 1 74 83 THR . 6358 1 75 84 LEU . 6358 1 76 85 THR . 6358 1 77 86 PRO . 6358 1 78 87 ASP . 6358 1 79 88 GLU . 6358 1 80 89 ALA . 6358 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6358 1 . ARG 2 2 6358 1 . LYS 3 3 6358 1 . ARG 4 4 6358 1 . PRO 5 5 6358 1 . LEU 6 6 6358 1 . ASP 7 7 6358 1 . ALA 8 8 6358 1 . GLU 9 9 6358 1 . THR 10 10 6358 1 . ILE 11 11 6358 1 . ARG 12 12 6358 1 . LYS 13 13 6358 1 . LEU 14 14 6358 1 . ILE 15 15 6358 1 . GLU 16 16 6358 1 . SER 17 17 6358 1 . GLY 18 18 6358 1 . LEU 19 19 6358 1 . PRO 20 20 6358 1 . GLU 21 21 6358 1 . ALA 22 22 6358 1 . ARG 23 23 6358 1 . VAL 24 24 6358 1 . ASP 25 25 6358 1 . VAL 26 26 6358 1 . GLN 27 27 6358 1 . GLY 28 28 6358 1 . GLU 29 29 6358 1 . ASP 30 30 6358 1 . GLY 31 31 6358 1 . VAL 32 32 6358 1 . HIS 33 33 6358 1 . PHE 34 34 6358 1 . GLU 35 35 6358 1 . ALA 36 36 6358 1 . THR 37 37 6358 1 . VAL 38 38 6358 1 . VAL 39 39 6358 1 . SER 40 40 6358 1 . PRO 41 41 6358 1 . ALA 42 42 6358 1 . PHE 43 43 6358 1 . VAL 44 44 6358 1 . GLY 45 45 6358 1 . LYS 46 46 6358 1 . ALA 47 47 6358 1 . PRO 48 48 6358 1 . LEU 49 49 6358 1 . ALA 50 50 6358 1 . ARG 51 51 6358 1 . HIS 52 52 6358 1 . ARG 53 53 6358 1 . MET 54 54 6358 1 . VAL 55 55 6358 1 . TYR 56 56 6358 1 . ALA 57 57 6358 1 . THR 58 58 6358 1 . LEU 59 59 6358 1 . GLY 60 60 6358 1 . GLU 61 61 6358 1 . LEU 62 62 6358 1 . MET 63 63 6358 1 . GLY 64 64 6358 1 . GLY 65 65 6358 1 . ALA 66 66 6358 1 . ILE 67 67 6358 1 . HIS 68 68 6358 1 . ALA 69 69 6358 1 . LEU 70 70 6358 1 . GLN 71 71 6358 1 . LEU 72 72 6358 1 . LYS 73 73 6358 1 . THR 74 74 6358 1 . LEU 75 75 6358 1 . THR 76 76 6358 1 . PRO 77 77 6358 1 . ASP 78 78 6358 1 . GLU 79 79 6358 1 . ALA 80 80 6358 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 6358 _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 $XC975_protein . 339 organism . 'Xanthomonas campestris' 'Xanthomonas Campestris pv. campestris 17' . . Bacteria . Xanthomonas campestris . . . . . . . . . . . . . . . . . . . . . 6358 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 6358 _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 $XC975_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6358 _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 'XC975 protein' '[U-13C; U-15N]' . . 1 $XC975_protein . . 2.5 . . mM . . . . 6358 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6358 _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 6.8 0.1 pH 6358 1 temperature 298 0.1 K 6358 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 2.2K _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6358 _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 Varian 2.2K . 800 . . . 6358 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 6358 _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 '1H15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 2 '1H 13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 5 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 6 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 7 NOESYNHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 8 NOESYCHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 10 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 11 HBCBCGCDCEHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 12 HBCBCGCDHD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 13 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 14 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 15 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 16 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 17 ME-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 18 DQ-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 19 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 20 10%13C-CTHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 21 NOESYHSQCCH3NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 22 CTHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 23 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6358 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N 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 . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H 13C 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 . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 3 _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 . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _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 . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name H(CCO)NH-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 . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH-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 . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NOESYNHSQC _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 . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name NOESYCHSQC _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 . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 9 _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 . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-COSY _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 . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBCBCGCDCEHE _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 . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HBCBCGCDHD _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 . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNHB _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 . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNHA _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 . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HBHA(CO)NH _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 . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 16 _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 . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name ME-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 . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name DQ-COSY _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 . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 2D-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 . save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name 10%13C-CTHSQC _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 . save_ save_NMR_spec_expt__0_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_21 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name NOESYHSQCCH3NH2 _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 . save_ save_NMR_spec_expt__0_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_22 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name CTHSQC _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 . save_ save_NMR_spec_expt__0_23 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_23 _NMR_spec_expt.Entry_ID 6358 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name HNCACO _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 . 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 6358 _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 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 6358 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 6358 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 6358 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6358 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 '1H15N HSQC' 1 $sample . 6358 1 2 '1H 13C HSQC' 1 $sample . 6358 1 3 HNCACB 1 $sample . 6358 1 4 CBCA(CO)NH 1 $sample . 6358 1 5 H(CCO)NH-TOCSY 1 $sample . 6358 1 6 C(CO)NH-TOCSY 1 $sample . 6358 1 7 NOESYNHSQC 1 $sample . 6358 1 8 NOESYCHSQC 1 $sample . 6358 1 9 HCCH-TOCSY 1 $sample . 6358 1 10 HCCH-COSY 1 $sample . 6358 1 11 HBCBCGCDCEHE 1 $sample . 6358 1 12 HBCBCGCDHD 1 $sample . 6358 1 13 HNHB 1 $sample . 6358 1 14 HNHA 1 $sample . 6358 1 15 HBHA(CO)NH 1 $sample . 6358 1 16 HNCO 1 $sample . 6358 1 17 ME-TOCSY 1 $sample . 6358 1 18 DQ-COSY 1 $sample . 6358 1 19 2D-NOESY 1 $sample . 6358 1 20 10%13C-CTHSQC 1 $sample . 6358 1 21 NOESYHSQCCH3NH2 1 $sample . 6358 1 22 CTHSQC 1 $sample . 6358 1 23 HNCACO 1 $sample . 6358 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 5 5 PRO HA H 1 4.451 . . . . . . . . . . . 6358 1 2 . 1 1 5 5 PRO HB2 H 1 2.331 . . . . . . . . . . . 6358 1 3 . 1 1 5 5 PRO HB3 H 1 1.981 . . . . . . . . . . . 6358 1 4 . 1 1 5 5 PRO HD2 H 1 3.655 . . . . . . . . . . . 6358 1 5 . 1 1 5 5 PRO HD3 H 1 3.655 . . . . . . . . . . . 6358 1 6 . 1 1 5 5 PRO C C 13 176.4 . . . . . . . . . . . 6358 1 7 . 1 1 5 5 PRO CA C 13 61.3 . . . . . . . . . . . 6358 1 8 . 1 1 5 5 PRO CB C 13 30.7 . . . . . . . . . . . 6358 1 9 . 1 1 5 5 PRO CG C 13 25.8 . . . . . . . . . . . 6358 1 10 . 1 1 5 5 PRO CD C 13 49.1 . . . . . . . . . . . 6358 1 11 . 1 1 6 6 LEU H H 1 8.38 . . . . . . . . . . . 6358 1 12 . 1 1 6 6 LEU HA H 1 4.265 . . . . . . . . . . . 6358 1 13 . 1 1 6 6 LEU HB2 H 1 1.622 . . . . . . . . . . . 6358 1 14 . 1 1 6 6 LEU HB3 H 1 1.622 . . . . . . . . . . . 6358 1 15 . 1 1 6 6 LEU HG H 1 1.467 . . . . . . . . . . . 6358 1 16 . 1 1 6 6 LEU HD11 H 1 0.785 . . . . . . . . . . . 6358 1 17 . 1 1 6 6 LEU HD12 H 1 0.785 . . . . . . . . . . . 6358 1 18 . 1 1 6 6 LEU HD13 H 1 0.785 . . . . . . . . . . . 6358 1 19 . 1 1 6 6 LEU HD21 H 1 0.785 . . . . . . . . . . . 6358 1 20 . 1 1 6 6 LEU HD22 H 1 0.785 . . . . . . . . . . . 6358 1 21 . 1 1 6 6 LEU HD23 H 1 0.785 . . . . . . . . . . . 6358 1 22 . 1 1 6 6 LEU C C 13 175.0 . . . . . . . . . . . 6358 1 23 . 1 1 6 6 LEU CA C 13 53.7 . . . . . . . . . . . 6358 1 24 . 1 1 6 6 LEU CB C 13 41.4 . . . . . . . . . . . 6358 1 25 . 1 1 6 6 LEU CG C 13 25.6 . . . . . . . . . . . 6358 1 26 . 1 1 6 6 LEU CD1 C 13 23.6 . . . . . . . . . . . 6358 1 27 . 1 1 6 6 LEU CD2 C 13 23.6 . . . . . . . . . . . 6358 1 28 . 1 1 6 6 LEU N N 15 122.468 . . . . . . . . . . . 6358 1 29 . 1 1 7 7 ASP H H 1 7.294 . . . . . . . . . . . 6358 1 30 . 1 1 7 7 ASP HA H 1 4.847 . . . . . . . . . . . 6358 1 31 . 1 1 7 7 ASP HB2 H 1 3.075 . . . . . . . . . . . 6358 1 32 . 1 1 7 7 ASP HB3 H 1 2.782 . . . . . . . . . . . 6358 1 33 . 1 1 7 7 ASP C C 13 175.0 . . . . . . . . . . . 6358 1 34 . 1 1 7 7 ASP CA C 13 50.5 . . . . . . . . . . . 6358 1 35 . 1 1 7 7 ASP CB C 13 41.6 . . . . . . . . . . . 6358 1 36 . 1 1 7 7 ASP N N 15 118.955 . . . . . . . . . . . 6358 1 37 . 1 1 8 8 ALA H H 1 8.892 . . . . . . . . . . . 6358 1 38 . 1 1 8 8 ALA HA H 1 3.639 . . . . . . . . . . . 6358 1 39 . 1 1 8 8 ALA HB1 H 1 1.481 . . . . . . . . . . . 6358 1 40 . 1 1 8 8 ALA HB2 H 1 1.481 . . . . . . . . . . . 6358 1 41 . 1 1 8 8 ALA HB3 H 1 1.481 . . . . . . . . . . . 6358 1 42 . 1 1 8 8 ALA C C 13 179 . . . . . . . . . . . 6358 1 43 . 1 1 8 8 ALA CA C 13 54.1 . . . . . . . . . . . 6358 1 44 . 1 1 8 8 ALA CB C 13 17 . . . . . . . . . . . 6358 1 45 . 1 1 8 8 ALA N N 15 122.331 . . . . . . . . . . . 6358 1 46 . 1 1 9 9 GLU H H 1 8.347 . . . . . . . . . . . 6358 1 47 . 1 1 9 9 GLU HA H 1 4.040 . . . . . . . . . . . 6358 1 48 . 1 1 9 9 GLU HB2 H 1 2.042 . . . . . . . . . . . 6358 1 49 . 1 1 9 9 GLU HB3 H 1 2.042 . . . . . . . . . . . 6358 1 50 . 1 1 9 9 GLU HG2 H 1 2.287 . . . . . . . . . . . 6358 1 51 . 1 1 9 9 GLU HG3 H 1 2.287 . . . . . . . . . . . 6358 1 52 . 1 1 9 9 GLU C C 13 178.3 . . . . . . . . . . . 6358 1 53 . 1 1 9 9 GLU CA C 13 57.7 . . . . . . . . . . . 6358 1 54 . 1 1 9 9 GLU CB C 13 27.9 . . . . . . . . . . . 6358 1 55 . 1 1 9 9 GLU CG C 13 34.9 . . . . . . . . . . . 6358 1 56 . 1 1 9 9 GLU N N 15 117.482 . . . . . . . . . . . 6358 1 57 . 1 1 10 10 THR H H 1 8.17 . . . . . . . . . . . 6358 1 58 . 1 1 10 10 THR HA H 1 4.136 . . . . . . . . . . . 6358 1 59 . 1 1 10 10 THR HB H 1 3.759 . . . . . . . . . . . 6358 1 60 . 1 1 10 10 THR HG21 H 1 1.142 . . . . . . . . . . . 6358 1 61 . 1 1 10 10 THR HG22 H 1 1.142 . . . . . . . . . . . 6358 1 62 . 1 1 10 10 THR HG23 H 1 1.142 . . . . . . . . . . . 6358 1 63 . 1 1 10 10 THR C C 13 176.4 . . . . . . . . . . . 6358 1 64 . 1 1 10 10 THR CA C 13 65.5 . . . . . . . . . . . 6358 1 65 . 1 1 10 10 THR CB C 13 66.7 . . . . . . . . . . . 6358 1 66 . 1 1 10 10 THR CG2 C 13 19.7 . . . . . . . . . . . 6358 1 67 . 1 1 10 10 THR N N 15 117.369 . . . . . . . . . . . 6358 1 68 . 1 1 11 11 ILE H H 1 7.263 . . . . . . . . . . . 6358 1 69 . 1 1 11 11 ILE HA H 1 3.286 . . . . . . . . . . . 6358 1 70 . 1 1 11 11 ILE HB H 1 1.609 . . . . . . . . . . . 6358 1 71 . 1 1 11 11 ILE HG12 H 1 0.587 . . . . . . . . . . . 6358 1 72 . 1 1 11 11 ILE HG13 H 1 1.263 . . . . . . . . . . . 6358 1 73 . 1 1 11 11 ILE HG21 H 1 0.528 . . . . . . . . . . . 6358 1 74 . 1 1 11 11 ILE HG22 H 1 0.528 . . . . . . . . . . . 6358 1 75 . 1 1 11 11 ILE HG23 H 1 0.528 . . . . . . . . . . . 6358 1 76 . 1 1 11 11 ILE C C 13 176.6 . . . . . . . . . . . 6358 1 77 . 1 1 11 11 ILE CA C 13 63.8 . . . . . . . . . . . 6358 1 78 . 1 1 11 11 ILE CB C 13 36.1 . . . . . . . . . . . 6358 1 79 . 1 1 11 11 ILE CG1 C 13 27.5 . . . . . . . . . . . 6358 1 80 . 1 1 11 11 ILE CG2 C 13 15.9 . . . . . . . . . . . 6358 1 81 . 1 1 11 11 ILE CD1 C 13 10.6 . . . . . . . . . . . 6358 1 82 . 1 1 11 11 ILE N N 15 119.784 . . . . . . . . . . . 6358 1 83 . 1 1 11 11 ILE HD11 H 1 -0.166 . . . . . . . . . . . 6358 1 84 . 1 1 11 11 ILE HD12 H 1 -0.166 . . . . . . . . . . . 6358 1 85 . 1 1 11 11 ILE HD13 H 1 -0.166 . . . . . . . . . . . 6358 1 86 . 1 1 12 12 ARG H H 1 8.301 . . . . . . . . . . . 6358 1 87 . 1 1 12 12 ARG HA H 1 3.526 . . . . . . . . . . . 6358 1 88 . 1 1 12 12 ARG HB2 H 1 1.698 . . . . . . . . . . . 6358 1 89 . 1 1 12 12 ARG HB3 H 1 2.018 . . . . . . . . . . . 6358 1 90 . 1 1 12 12 ARG HG2 H 1 1.408 . . . . . . . . . . . 6358 1 91 . 1 1 12 12 ARG HG3 H 1 1.408 . . . . . . . . . . . 6358 1 92 . 1 1 12 12 ARG HD2 H 1 3.191 . . . . . . . . . . . 6358 1 93 . 1 1 12 12 ARG HD3 H 1 3.191 . . . . . . . . . . . 6358 1 94 . 1 1 12 12 ARG C C 13 177.5 . . . . . . . . . . . 6358 1 95 . 1 1 12 12 ARG CA C 13 58.9 . . . . . . . . . . . 6358 1 96 . 1 1 12 12 ARG CB C 13 28.5 . . . . . . . . . . . 6358 1 97 . 1 1 12 12 ARG CG C 13 25.4 . . . . . . . . . . . 6358 1 98 . 1 1 12 12 ARG CD C 13 42.2 . . . . . . . . . . . 6358 1 99 . 1 1 12 12 ARG N N 15 118.794 . . . . . . . . . . . 6358 1 100 . 1 1 13 13 LYS H H 1 8.093 . . . . . . . . . . . 6358 1 101 . 1 1 13 13 LYS HA H 1 4.041 . . . . . . . . . . . 6358 1 102 . 1 1 13 13 LYS HB2 H 1 1.876 . . . . . . . . . . . 6358 1 103 . 1 1 13 13 LYS HB3 H 1 1.876 . . . . . . . . . . . 6358 1 104 . 1 1 13 13 LYS HG2 H 1 1.649 . . . . . . . . . . . 6358 1 105 . 1 1 13 13 LYS HG3 H 1 1.470 . . . . . . . . . . . 6358 1 106 . 1 1 13 13 LYS HD2 H 1 1.661 . . . . . . . . . . . 6358 1 107 . 1 1 13 13 LYS HD3 H 1 1.661 . . . . . . . . . . . 6358 1 108 . 1 1 13 13 LYS HE2 H 1 2.937 . . . . . . . . . . . 6358 1 109 . 1 1 13 13 LYS HE3 H 1 2.937 . . . . . . . . . . . 6358 1 110 . 1 1 13 13 LYS C C 13 180.1 . . . . . . . . . . . 6358 1 111 . 1 1 13 13 LYS CA C 13 57.8 . . . . . . . . . . . 6358 1 112 . 1 1 13 13 LYS CB C 13 30.9 . . . . . . . . . . . 6358 1 113 . 1 1 13 13 LYS CG C 13 24.1 . . . . . . . . . . . 6358 1 114 . 1 1 13 13 LYS CD C 13 27.7 . . . . . . . . . . . 6358 1 115 . 1 1 13 13 LYS N N 15 116.429 . . . . . . . . . . . 6358 1 116 . 1 1 14 14 LEU H H 1 7.856 . . . . . . . . . . . 6358 1 117 . 1 1 14 14 LEU HA H 1 3.947 . . . . . . . . . . . 6358 1 118 . 1 1 14 14 LEU HB2 H 1 1.447 . . . . . . . . . . . 6358 1 119 . 1 1 14 14 LEU HB3 H 1 1.447 . . . . . . . . . . . 6358 1 120 . 1 1 14 14 LEU HG H 1 1.856 . . . . . . . . . . . 6358 1 121 . 1 1 14 14 LEU HD11 H 1 0.844 . . . . . . . . . . . 6358 1 122 . 1 1 14 14 LEU HD12 H 1 0.844 . . . . . . . . . . . 6358 1 123 . 1 1 14 14 LEU HD13 H 1 0.844 . . . . . . . . . . . 6358 1 124 . 1 1 14 14 LEU HD21 H 1 0.844 . . . . . . . . . . . 6358 1 125 . 1 1 14 14 LEU HD22 H 1 0.844 . . . . . . . . . . . 6358 1 126 . 1 1 14 14 LEU HD23 H 1 0.844 . . . . . . . . . . . 6358 1 127 . 1 1 14 14 LEU C C 13 180 . . . . . . . . . . . 6358 1 128 . 1 1 14 14 LEU CA C 13 56.7 . . . . . . . . . . . 6358 1 129 . 1 1 14 14 LEU CB C 13 40.3 . . . . . . . . . . . 6358 1 130 . 1 1 14 14 LEU CG C 13 25.2 . . . . . . . . . . . 6358 1 131 . 1 1 14 14 LEU CD1 C 13 21.4 . . . . . . . . . . . 6358 1 132 . 1 1 14 14 LEU CD2 C 13 21.4 . . . . . . . . . . . 6358 1 133 . 1 1 14 14 LEU N N 15 121.127 . . . . . . . . . . . 6358 1 134 . 1 1 15 15 ILE H H 1 7.903 . . . . . . . . . . . 6358 1 135 . 1 1 15 15 ILE HA H 1 3.934 . . . . . . . . . . . 6358 1 136 . 1 1 15 15 ILE HB H 1 1.726 . . . . . . . . . . . 6358 1 137 . 1 1 15 15 ILE HG12 H 1 1.945 . . . . . . . . . . . 6358 1 138 . 1 1 15 15 ILE HG13 H 1 0.756 . . . . . . . . . . . 6358 1 139 . 1 1 15 15 ILE HG21 H 1 0.816 . . . . . . . . . . . 6358 1 140 . 1 1 15 15 ILE HG22 H 1 0.816 . . . . . . . . . . . 6358 1 141 . 1 1 15 15 ILE HG23 H 1 0.816 . . . . . . . . . . . 6358 1 142 . 1 1 15 15 ILE HD11 H 1 0.418 . . . . . . . . . . . 6358 1 143 . 1 1 15 15 ILE HD12 H 1 0.418 . . . . . . . . . . . 6358 1 144 . 1 1 15 15 ILE HD13 H 1 0.418 . . . . . . . . . . . 6358 1 145 . 1 1 15 15 ILE C C 13 178.3 . . . . . . . . . . . 6358 1 146 . 1 1 15 15 ILE CA C 13 63.7 . . . . . . . . . . . 6358 1 147 . 1 1 15 15 ILE CB C 13 36.5 . . . . . . . . . . . 6358 1 148 . 1 1 15 15 ILE CG1 C 13 26.3 . . . . . . . . . . . 6358 1 149 . 1 1 15 15 ILE CG2 C 13 17.9 . . . . . . . . . . . 6358 1 150 . 1 1 15 15 ILE CD1 C 13 11.6 . . . . . . . . . . . 6358 1 151 . 1 1 15 15 ILE N N 15 120.058 . . . . . . . . . . . 6358 1 152 . 1 1 16 16 GLU H H 1 8.538 . . . . . . . . . . . 6358 1 153 . 1 1 16 16 GLU HA H 1 3.798 . . . . . . . . . . . 6358 1 154 . 1 1 16 16 GLU HB2 H 1 2.124 . . . . . . . . . . . 6358 1 155 . 1 1 16 16 GLU HB3 H 1 1.987 . . . . . . . . . . . 6358 1 156 . 1 1 16 16 GLU HG2 H 1 2.251 . . . . . . . . . . . 6358 1 157 . 1 1 16 16 GLU HG3 H 1 2.456 . . . . . . . . . . . 6358 1 158 . 1 1 16 16 GLU C C 13 178.8 . . . . . . . . . . . 6358 1 159 . 1 1 16 16 GLU CA C 13 57.8 . . . . . . . . . . . 6358 1 160 . 1 1 16 16 GLU CB C 13 28.7 . . . . . . . . . . . 6358 1 161 . 1 1 16 16 GLU CG C 13 36.1 . . . . . . . . . . . 6358 1 162 . 1 1 16 16 GLU N N 15 116.869 . . . . . . . . . . . 6358 1 163 . 1 1 17 17 SER H H 1 7.818 . . . . . . . . . . . 6358 1 164 . 1 1 17 17 SER HA H 1 4.310 . . . . . . . . . . . 6358 1 165 . 1 1 17 17 SER HB2 H 1 3.978 . . . . . . . . . . . 6358 1 166 . 1 1 17 17 SER HB3 H 1 3.978 . . . . . . . . . . . 6358 1 167 . 1 1 17 17 SER C C 13 175.8 . . . . . . . . . . . 6358 1 168 . 1 1 17 17 SER CA C 13 59.1 . . . . . . . . . . . 6358 1 169 . 1 1 17 17 SER CB C 13 61.9 . . . . . . . . . . . 6358 1 170 . 1 1 17 17 SER N N 15 110.229 . . . . . . . . . . . 6358 1 171 . 1 1 18 18 GLY H H 1 7.616 . . . . . . . . . . . 6358 1 172 . 1 1 18 18 GLY HA2 H 1 4.346 . . . . . . . . . . . 6358 1 173 . 1 1 18 18 GLY HA3 H 1 3.565 . . . . . . . . . . . 6358 1 174 . 1 1 18 18 GLY C C 13 173 . . . . . . . . . . . 6358 1 175 . 1 1 18 18 GLY CA C 13 44 . . . . . . . . . . . 6358 1 176 . 1 1 18 18 GLY N N 15 106.918 . . . . . . . . . . . 6358 1 177 . 1 1 19 19 LEU H H 1 7.707 . . . . . . . . . . . 6358 1 178 . 1 1 19 19 LEU HA H 1 4.845 . . . . . . . . . . . 6358 1 179 . 1 1 19 19 LEU HB2 H 1 1.461 . . . . . . . . . . . 6358 1 180 . 1 1 19 19 LEU HB3 H 1 1.253 . . . . . . . . . . . 6358 1 181 . 1 1 19 19 LEU HG H 1 1.534 . . . . . . . . . . . 6358 1 182 . 1 1 19 19 LEU HD11 H 1 0.711 . . . . . . . . . . . 6358 1 183 . 1 1 19 19 LEU HD12 H 1 0.711 . . . . . . . . . . . 6358 1 184 . 1 1 19 19 LEU HD13 H 1 0.711 . . . . . . . . . . . 6358 1 185 . 1 1 19 19 LEU HD21 H 1 0.711 . . . . . . . . . . . 6358 1 186 . 1 1 19 19 LEU HD22 H 1 0.711 . . . . . . . . . . . 6358 1 187 . 1 1 19 19 LEU HD23 H 1 0.711 . . . . . . . . . . . 6358 1 188 . 1 1 19 19 LEU CA C 13 50.1 . . . . . . . . . . . 6358 1 189 . 1 1 19 19 LEU CB C 13 41.8 . . . . . . . . . . . 6358 1 190 . 1 1 19 19 LEU N N 15 122.612 . . . . . . . . . . . 6358 1 191 . 1 1 20 20 PRO HA H 1 4.396 . . . . . . . . . . . 6358 1 192 . 1 1 20 20 PRO HB2 H 1 2.268 . . . . . . . . . . . 6358 1 193 . 1 1 20 20 PRO HB3 H 1 2.268 . . . . . . . . . . . 6358 1 194 . 1 1 20 20 PRO HG2 H 1 1.875 . . . . . . . . . . . 6358 1 195 . 1 1 20 20 PRO HG3 H 1 1.875 . . . . . . . . . . . 6358 1 196 . 1 1 20 20 PRO HD2 H 1 3.390 . . . . . . . . . . . 6358 1 197 . 1 1 20 20 PRO HD3 H 1 3.554 . . . . . . . . . . . 6358 1 198 . 1 1 20 20 PRO C C 13 177 . . . . . . . . . . . 6358 1 199 . 1 1 20 20 PRO CA C 13 62 . . . . . . . . . . . 6358 1 200 . 1 1 20 20 PRO CB C 13 30.5 . . . . . . . . . . . 6358 1 201 . 1 1 20 20 PRO CG C 13 26.0 . . . . . . . . . . . 6358 1 202 . 1 1 20 20 PRO CD C 13 48.9 . . . . . . . . . . . 6358 1 203 . 1 1 21 21 GLU H H 1 8.906 . . . . . . . . . . . 6358 1 204 . 1 1 21 21 GLU HA H 1 3.951 . . . . . . . . . . . 6358 1 205 . 1 1 21 21 GLU HB2 H 1 2.136 . . . . . . . . . . . 6358 1 206 . 1 1 21 21 GLU HB3 H 1 1.873 . . . . . . . . . . . 6358 1 207 . 1 1 21 21 GLU HG2 H 1 2.120 . . . . . . . . . . . 6358 1 208 . 1 1 21 21 GLU HG3 H 1 2.120 . . . . . . . . . . . 6358 1 209 . 1 1 21 21 GLU C C 13 175.1 . . . . . . . . . . . 6358 1 210 . 1 1 21 21 GLU CA C 13 55.1 . . . . . . . . . . . 6358 1 211 . 1 1 21 21 GLU CB C 13 27 . . . . . . . . . . . 6358 1 212 . 1 1 21 21 GLU CG C 13 35.3 . . . . . . . . . . . 6358 1 213 . 1 1 21 21 GLU N N 15 118.789 . . . . . . . . . . . 6358 1 214 . 1 1 22 22 ALA H H 1 7.965 . . . . . . . . . . . 6358 1 215 . 1 1 22 22 ALA HA H 1 4.832 . . . . . . . . . . . 6358 1 216 . 1 1 22 22 ALA HB1 H 1 1.126 . . . . . . . . . . . 6358 1 217 . 1 1 22 22 ALA HB2 H 1 1.126 . . . . . . . . . . . 6358 1 218 . 1 1 22 22 ALA HB3 H 1 1.126 . . . . . . . . . . . 6358 1 219 . 1 1 22 22 ALA C C 13 177.6 . . . . . . . . . . . 6358 1 220 . 1 1 22 22 ALA CA C 13 50.2 . . . . . . . . . . . 6358 1 221 . 1 1 22 22 ALA CB C 13 19.4 . . . . . . . . . . . 6358 1 222 . 1 1 22 22 ALA N N 15 121.191 . . . . . . . . . . . 6358 1 223 . 1 1 23 23 ARG H H 1 8.798 . . . . . . . . . . . 6358 1 224 . 1 1 23 23 ARG HA H 1 4.660 . . . . . . . . . . . 6358 1 225 . 1 1 23 23 ARG HB2 H 1 1.788 . . . . . . . . . . . 6358 1 226 . 1 1 23 23 ARG HB3 H 1 1.788 . . . . . . . . . . . 6358 1 227 . 1 1 23 23 ARG HG2 H 1 1.671 . . . . . . . . . . . 6358 1 228 . 1 1 23 23 ARG HG3 H 1 1.671 . . . . . . . . . . . 6358 1 229 . 1 1 23 23 ARG HD2 H 1 3.182 . . . . . . . . . . . 6358 1 230 . 1 1 23 23 ARG HD3 H 1 3.182 . . . . . . . . . . . 6358 1 231 . 1 1 23 23 ARG C C 13 175.9 . . . . . . . . . . . 6358 1 232 . 1 1 23 23 ARG CA C 13 53.9 . . . . . . . . . . . 6358 1 233 . 1 1 23 23 ARG CB C 13 30 . . . . . . . . . . . 6358 1 234 . 1 1 23 23 ARG CG C 13 25.5 . . . . . . . . . . . 6358 1 235 . 1 1 23 23 ARG CD C 13 42.4 . . . . . . . . . . . 6358 1 236 . 1 1 23 23 ARG N N 15 122.782 . . . . . . . . . . . 6358 1 237 . 1 1 24 24 VAL H H 1 9.121 . . . . . . . . . . . 6358 1 238 . 1 1 24 24 VAL HA H 1 4.953 . . . . . . . . . . . 6358 1 239 . 1 1 24 24 VAL HB H 1 2.076 . . . . . . . . . . . 6358 1 240 . 1 1 24 24 VAL HG11 H 1 0.883 . . . . . . . . . . . 6358 1 241 . 1 1 24 24 VAL HG12 H 1 0.883 . . . . . . . . . . . 6358 1 242 . 1 1 24 24 VAL HG13 H 1 0.883 . . . . . . . . . . . 6358 1 243 . 1 1 24 24 VAL HG21 H 1 0.883 . . . . . . . . . . . 6358 1 244 . 1 1 24 24 VAL HG22 H 1 0.883 . . . . . . . . . . . 6358 1 245 . 1 1 24 24 VAL HG23 H 1 0.883 . . . . . . . . . . . 6358 1 246 . 1 1 24 24 VAL C C 13 173.6 . . . . . . . . . . . 6358 1 247 . 1 1 24 24 VAL CA C 13 59.6 . . . . . . . . . . . 6358 1 248 . 1 1 24 24 VAL CB C 13 33.2 . . . . . . . . . . . 6358 1 249 . 1 1 24 24 VAL CG1 C 13 21.2 . . . . . . . . . . . 6358 1 250 . 1 1 24 24 VAL CG2 C 13 21.2 . . . . . . . . . . . 6358 1 251 . 1 1 24 24 VAL N N 15 126.901 . . . . . . . . . . . 6358 1 252 . 1 1 25 25 ASP H H 1 8.691 . . . . . . . . . . . 6358 1 253 . 1 1 25 25 ASP HA H 1 5.009 . . . . . . . . . . . 6358 1 254 . 1 1 25 25 ASP HB2 H 1 2.655 . . . . . . . . . . . 6358 1 255 . 1 1 25 25 ASP HB3 H 1 2.554 . . . . . . . . . . . 6358 1 256 . 1 1 25 25 ASP C C 13 175.2 . . . . . . . . . . . 6358 1 257 . 1 1 25 25 ASP CA C 13 51.9 . . . . . . . . . . . 6358 1 258 . 1 1 25 25 ASP CB C 13 43.3 . . . . . . . . . . . 6358 1 259 . 1 1 25 25 ASP N N 15 126.977 . . . . . . . . . . . 6358 1 260 . 1 1 26 26 VAL H H 1 8.608 . . . . . . . . . . . 6358 1 261 . 1 1 26 26 VAL HA H 1 5.036 . . . . . . . . . . . 6358 1 262 . 1 1 26 26 VAL HB H 1 1.941 . . . . . . . . . . . 6358 1 263 . 1 1 26 26 VAL HG11 H 1 0.940 . . . . . . . . . . . 6358 1 264 . 1 1 26 26 VAL HG12 H 1 0.940 . . . . . . . . . . . 6358 1 265 . 1 1 26 26 VAL HG13 H 1 0.940 . . . . . . . . . . . 6358 1 266 . 1 1 26 26 VAL HG21 H 1 0.736 . . . . . . . . . . . 6358 1 267 . 1 1 26 26 VAL HG22 H 1 0.736 . . . . . . . . . . . 6358 1 268 . 1 1 26 26 VAL HG23 H 1 0.736 . . . . . . . . . . . 6358 1 269 . 1 1 26 26 VAL C C 13 174 . . . . . . . . . . . 6358 1 270 . 1 1 26 26 VAL CA C 13 59.4 . . . . . . . . . . . 6358 1 271 . 1 1 26 26 VAL CB C 13 32.9 . . . . . . . . . . . 6358 1 272 . 1 1 26 26 VAL CG1 C 13 20.2 . . . . . . . . . . . 6358 1 273 . 1 1 26 26 VAL CG2 C 13 20.2 . . . . . . . . . . . 6358 1 274 . 1 1 26 26 VAL N N 15 123.789 . . . . . . . . . . . 6358 1 275 . 1 1 27 27 GLN H H 1 9.113 . . . . . . . . . . . 6358 1 276 . 1 1 27 27 GLN HA H 1 4.801 . . . . . . . . . . . 6358 1 277 . 1 1 27 27 GLN HB2 H 1 2.242 . . . . . . . . . . . 6358 1 278 . 1 1 27 27 GLN HB3 H 1 1.951 . . . . . . . . . . . 6358 1 279 . 1 1 27 27 GLN HG2 H 1 2.389 . . . . . . . . . . . 6358 1 280 . 1 1 27 27 GLN HG3 H 1 2.389 . . . . . . . . . . . 6358 1 281 . 1 1 27 27 GLN C C 13 175.1 . . . . . . . . . . . 6358 1 282 . 1 1 27 27 GLN CA C 13 52.5 . . . . . . . . . . . 6358 1 283 . 1 1 27 27 GLN CB C 13 30.8 . . . . . . . . . . . 6358 1 284 . 1 1 27 27 GLN CG C 13 31.9 . . . . . . . . . . . 6358 1 285 . 1 1 27 27 GLN N N 15 124.769 . . . . . . . . . . . 6358 1 286 . 1 1 28 28 GLY H H 1 8.873 . . . . . . . . . . . 6358 1 287 . 1 1 28 28 GLY HA2 H 1 4.044 . . . . . . . . . . . 6358 1 288 . 1 1 28 28 GLY HA3 H 1 4.044 . . . . . . . . . . . 6358 1 289 . 1 1 28 28 GLY C C 13 173.8 . . . . . . . . . . . 6358 1 290 . 1 1 28 28 GLY CA C 13 45.9 . . . . . . . . . . . 6358 1 291 . 1 1 28 28 GLY N N 15 111.295 . . . . . . . . . . . 6358 1 292 . 1 1 29 29 GLU H H 1 8.87 . . . . . . . . . . . 6358 1 293 . 1 1 29 29 GLU HA H 1 4.478 . . . . . . . . . . . 6358 1 294 . 1 1 29 29 GLU HB2 H 1 1.959 . . . . . . . . . . . 6358 1 295 . 1 1 29 29 GLU HB3 H 1 1.959 . . . . . . . . . . . 6358 1 296 . 1 1 29 29 GLU HG2 H 1 2.265 . . . . . . . . . . . 6358 1 297 . 1 1 29 29 GLU HG3 H 1 2.265 . . . . . . . . . . . 6358 1 298 . 1 1 29 29 GLU C C 13 176.8 . . . . . . . . . . . 6358 1 299 . 1 1 29 29 GLU CA C 13 55.9 . . . . . . . . . . . 6358 1 300 . 1 1 29 29 GLU CB C 13 30.2 . . . . . . . . . . . 6358 1 301 . 1 1 29 29 GLU CG C 13 34.6 . . . . . . . . . . . 6358 1 302 . 1 1 29 29 GLU N N 15 123.741 . . . . . . . . . . . 6358 1 303 . 1 1 30 30 ASP H H 1 8.327 . . . . . . . . . . . 6358 1 304 . 1 1 30 30 ASP HA H 1 4.597 . . . . . . . . . . . 6358 1 305 . 1 1 30 30 ASP HB2 H 1 3.115 . . . . . . . . . . . 6358 1 306 . 1 1 30 30 ASP HB3 H 1 2.671 . . . . . . . . . . . 6358 1 307 . 1 1 30 30 ASP C C 13 177.3 . . . . . . . . . . . 6358 1 308 . 1 1 30 30 ASP CA C 13 52.3 . . . . . . . . . . . 6358 1 309 . 1 1 30 30 ASP CB C 13 39.2 . . . . . . . . . . . 6358 1 310 . 1 1 30 30 ASP N N 15 118.652 . . . . . . . . . . . 6358 1 311 . 1 1 31 31 GLY H H 1 8.207 . . . . . . . . . . . 6358 1 312 . 1 1 31 31 GLY HA2 H 1 3.721 . . . . . . . . . . . 6358 1 313 . 1 1 31 31 GLY HA3 H 1 4.187 . . . . . . . . . . . 6358 1 314 . 1 1 31 31 GLY C C 13 173 . . . . . . . . . . . 6358 1 315 . 1 1 31 31 GLY CA C 13 44.5 . . . . . . . . . . . 6358 1 316 . 1 1 31 31 GLY N N 15 109.062 . . . . . . . . . . . 6358 1 317 . 1 1 32 32 VAL H H 1 8.008 . . . . . . . . . . . 6358 1 318 . 1 1 32 32 VAL HA H 1 4.162 . . . . . . . . . . . 6358 1 319 . 1 1 32 32 VAL HB H 1 1.400 . . . . . . . . . . . 6358 1 320 . 1 1 32 32 VAL HG11 H 1 0.547 . . . . . . . . . . . 6358 1 321 . 1 1 32 32 VAL HG12 H 1 0.547 . . . . . . . . . . . 6358 1 322 . 1 1 32 32 VAL HG13 H 1 0.547 . . . . . . . . . . . 6358 1 323 . 1 1 32 32 VAL HG21 H 1 0.382 . . . . . . . . . . . 6358 1 324 . 1 1 32 32 VAL HG22 H 1 0.382 . . . . . . . . . . . 6358 1 325 . 1 1 32 32 VAL HG23 H 1 0.382 . . . . . . . . . . . 6358 1 326 . 1 1 32 32 VAL C C 13 174.1 . . . . . . . . . . . 6358 1 327 . 1 1 32 32 VAL CA C 13 61.8 . . . . . . . . . . . 6358 1 328 . 1 1 32 32 VAL CB C 13 34 . . . . . . . . . . . 6358 1 329 . 1 1 32 32 VAL CG1 C 13 19.0 . . . . . . . . . . . 6358 1 330 . 1 1 32 32 VAL CG2 C 13 19.0 . . . . . . . . . . . 6358 1 331 . 1 1 32 32 VAL N N 15 117.596 . . . . . . . . . . . 6358 1 332 . 1 1 33 33 HIS H H 1 9.477 . . . . . . . . . . . 6358 1 333 . 1 1 33 33 HIS HA H 1 4.944 . . . . . . . . . . . 6358 1 334 . 1 1 33 33 HIS HB2 H 1 3.289 . . . . . . . . . . . 6358 1 335 . 1 1 33 33 HIS HB3 H 1 3.072 . . . . . . . . . . . 6358 1 336 . 1 1 33 33 HIS C C 13 174.2 . . . . . . . . . . . 6358 1 337 . 1 1 33 33 HIS CA C 13 54.7 . . . . . . . . . . . 6358 1 338 . 1 1 33 33 HIS CB C 13 27.3 . . . . . . . . . . . 6358 1 339 . 1 1 33 33 HIS N N 15 120.102 . . . . . . . . . . . 6358 1 340 . 1 1 34 34 PHE H H 1 8.563 . . . . . . . . . . . 6358 1 341 . 1 1 34 34 PHE HA H 1 5.377 . . . . . . . . . . . 6358 1 342 . 1 1 34 34 PHE HB2 H 1 2.728 . . . . . . . . . . . 6358 1 343 . 1 1 34 34 PHE HB3 H 1 2.728 . . . . . . . . . . . 6358 1 344 . 1 1 34 34 PHE HD1 H 1 7.310 . . . . . . . . . . . 6358 1 345 . 1 1 34 34 PHE HD2 H 1 7.310 . . . . . . . . . . . 6358 1 346 . 1 1 34 34 PHE HE1 H 1 7.403 . . . . . . . . . . . 6358 1 347 . 1 1 34 34 PHE HE2 H 1 7.403 . . . . . . . . . . . 6358 1 348 . 1 1 34 34 PHE C C 13 175.2 . . . . . . . . . . . 6358 1 349 . 1 1 34 34 PHE CA C 13 55 . . . . . . . . . . . 6358 1 350 . 1 1 34 34 PHE CB C 13 42.3 . . . . . . . . . . . 6358 1 351 . 1 1 34 34 PHE N N 15 120.983 . . . . . . . . . . . 6358 1 352 . 1 1 35 35 GLU H H 1 9.175 . . . . . . . . . . . 6358 1 353 . 1 1 35 35 GLU HA H 1 5.237 . . . . . . . . . . . 6358 1 354 . 1 1 35 35 GLU HB2 H 1 1.936 . . . . . . . . . . . 6358 1 355 . 1 1 35 35 GLU HB3 H 1 2.054 . . . . . . . . . . . 6358 1 356 . 1 1 35 35 GLU HG2 H 1 2.131 . . . . . . . . . . . 6358 1 357 . 1 1 35 35 GLU HG3 H 1 2.131 . . . . . . . . . . . 6358 1 358 . 1 1 35 35 GLU C C 13 174.7 . . . . . . . . . . . 6358 1 359 . 1 1 35 35 GLU CA C 13 53.3 . . . . . . . . . . . 6358 1 360 . 1 1 35 35 GLU CB C 13 31.2 . . . . . . . . . . . 6358 1 361 . 1 1 35 35 GLU CG C 13 34.6 . . . . . . . . . . . 6358 1 362 . 1 1 35 35 GLU N N 15 122.305 . . . . . . . . . . . 6358 1 363 . 1 1 36 36 ALA H H 1 9.048 . . . . . . . . . . . 6358 1 364 . 1 1 36 36 ALA HA H 1 5.698 . . . . . . . . . . . 6358 1 365 . 1 1 36 36 ALA HB1 H 1 1.106 . . . . . . . . . . . 6358 1 366 . 1 1 36 36 ALA HB2 H 1 1.106 . . . . . . . . . . . 6358 1 367 . 1 1 36 36 ALA HB3 H 1 1.106 . . . . . . . . . . . 6358 1 368 . 1 1 36 36 ALA C C 13 175.7 . . . . . . . . . . . 6358 1 369 . 1 1 36 36 ALA CA C 13 48.7 . . . . . . . . . . . 6358 1 370 . 1 1 36 36 ALA CB C 13 21 . . . . . . . . . . . 6358 1 371 . 1 1 36 36 ALA N N 15 125.649 . . . . . . . . . . . 6358 1 372 . 1 1 37 37 THR H H 1 9.086 . . . . . . . . . . . 6358 1 373 . 1 1 37 37 THR HA H 1 5.102 . . . . . . . . . . . 6358 1 374 . 1 1 37 37 THR HB H 1 4.056 . . . . . . . . . . . 6358 1 375 . 1 1 37 37 THR HG21 H 1 1.121 . . . . . . . . . . . 6358 1 376 . 1 1 37 37 THR HG22 H 1 1.121 . . . . . . . . . . . 6358 1 377 . 1 1 37 37 THR HG23 H 1 1.121 . . . . . . . . . . . 6358 1 378 . 1 1 37 37 THR C C 13 173.6 . . . . . . . . . . . 6358 1 379 . 1 1 37 37 THR CA C 13 60.5 . . . . . . . . . . . 6358 1 380 . 1 1 37 37 THR CB C 13 68.5 . . . . . . . . . . . 6358 1 381 . 1 1 37 37 THR CG2 C 13 20.1 . . . . . . . . . . . 6358 1 382 . 1 1 37 37 THR N N 15 120.681 . . . . . . . . . . . 6358 1 383 . 1 1 38 38 VAL H H 1 9.155 . . . . . . . . . . . 6358 1 384 . 1 1 38 38 VAL HA H 1 4.830 . . . . . . . . . . . 6358 1 385 . 1 1 38 38 VAL HB H 1 2.111 . . . . . . . . . . . 6358 1 386 . 1 1 38 38 VAL HG11 H 1 0.916 . . . . . . . . . . . 6358 1 387 . 1 1 38 38 VAL HG12 H 1 0.916 . . . . . . . . . . . 6358 1 388 . 1 1 38 38 VAL HG13 H 1 0.916 . . . . . . . . . . . 6358 1 389 . 1 1 38 38 VAL HG21 H 1 0.916 . . . . . . . . . . . 6358 1 390 . 1 1 38 38 VAL HG22 H 1 0.916 . . . . . . . . . . . 6358 1 391 . 1 1 38 38 VAL HG23 H 1 0.916 . . . . . . . . . . . 6358 1 392 . 1 1 38 38 VAL C C 13 173.7 . . . . . . . . . . . 6358 1 393 . 1 1 38 38 VAL CA C 13 59.3 . . . . . . . . . . . 6358 1 394 . 1 1 38 38 VAL CB C 13 33.4 . . . . . . . . . . . 6358 1 395 . 1 1 38 38 VAL CG1 C 13 20.1 . . . . . . . . . . . 6358 1 396 . 1 1 38 38 VAL CG2 C 13 20.1 . . . . . . . . . . . 6358 1 397 . 1 1 38 38 VAL N N 15 127.022 . . . . . . . . . . . 6358 1 398 . 1 1 39 39 VAL H H 1 9.096 . . . . . . . . . . . 6358 1 399 . 1 1 39 39 VAL HA H 1 5.497 . . . . . . . . . . . 6358 1 400 . 1 1 39 39 VAL HB H 1 2.016 . . . . . . . . . . . 6358 1 401 . 1 1 39 39 VAL HG11 H 1 0.892 . . . . . . . . . . . 6358 1 402 . 1 1 39 39 VAL HG12 H 1 0.892 . . . . . . . . . . . 6358 1 403 . 1 1 39 39 VAL HG13 H 1 0.892 . . . . . . . . . . . 6358 1 404 . 1 1 39 39 VAL HG21 H 1 0.703 . . . . . . . . . . . 6358 1 405 . 1 1 39 39 VAL HG22 H 1 0.703 . . . . . . . . . . . 6358 1 406 . 1 1 39 39 VAL HG23 H 1 0.703 . . . . . . . . . . . 6358 1 407 . 1 1 39 39 VAL CA C 13 58.3 . . . . . . . . . . . 6358 1 408 . 1 1 39 39 VAL CB C 13 32.1 . . . . . . . . . . . 6358 1 409 . 1 1 39 39 VAL CG1 C 13 19.1 . . . . . . . . . . . 6358 1 410 . 1 1 39 39 VAL CG2 C 13 19.1 . . . . . . . . . . . 6358 1 411 . 1 1 39 39 VAL N N 15 128.959 . . . . . . . . . . . 6358 1 412 . 1 1 40 40 SER H H 1 8.223 . . . . . . . . . . . 6358 1 413 . 1 1 40 40 SER HA H 1 5.130 . . . . . . . . . . . 6358 1 414 . 1 1 40 40 SER HB2 H 1 3.352 . . . . . . . . . . . 6358 1 415 . 1 1 40 40 SER HB3 H 1 3.352 . . . . . . . . . . . 6358 1 416 . 1 1 40 40 SER CA C 13 53.3 . . . . . . . . . . . 6358 1 417 . 1 1 40 40 SER CB C 13 63.4 . . . . . . . . . . . 6358 1 418 . 1 1 40 40 SER N N 15 117.418 . . . . . . . . . . . 6358 1 419 . 1 1 41 41 PRO HA H 1 4.346 . . . . . . . . . . . 6358 1 420 . 1 1 41 41 PRO HB2 H 1 2.367 . . . . . . . . . . . 6358 1 421 . 1 1 41 41 PRO HB3 H 1 2.367 . . . . . . . . . . . 6358 1 422 . 1 1 41 41 PRO HG2 H 1 2.053 . . . . . . . . . . . 6358 1 423 . 1 1 41 41 PRO HG3 H 1 2.053 . . . . . . . . . . . 6358 1 424 . 1 1 41 41 PRO HD2 H 1 3.17 . . . . . . . . . . . 6358 1 425 . 1 1 41 41 PRO HD3 H 1 3.71 . . . . . . . . . . . 6358 1 426 . 1 1 41 41 PRO C C 13 177.3 . . . . . . . . . . . 6358 1 427 . 1 1 41 41 PRO CA C 13 62.5 . . . . . . . . . . . 6358 1 428 . 1 1 41 41 PRO CB C 13 30.3 . . . . . . . . . . . 6358 1 429 . 1 1 41 41 PRO CG C 13 25.7 . . . . . . . . . . . 6358 1 430 . 1 1 41 41 PRO CD C 13 50.7 . . . . . . . . . . . 6358 1 431 . 1 1 42 42 ALA H H 1 8.253 . . . . . . . . . . . 6358 1 432 . 1 1 42 42 ALA HA H 1 4.154 . . . . . . . . . . . 6358 1 433 . 1 1 42 42 ALA HB1 H 1 1.074 . . . . . . . . . . . 6358 1 434 . 1 1 42 42 ALA HB2 H 1 1.074 . . . . . . . . . . . 6358 1 435 . 1 1 42 42 ALA HB3 H 1 1.074 . . . . . . . . . . . 6358 1 436 . 1 1 42 42 ALA C C 13 177.8 . . . . . . . . . . . 6358 1 437 . 1 1 42 42 ALA CA C 13 52 . . . . . . . . . . . 6358 1 438 . 1 1 42 42 ALA CB C 13 16.7 . . . . . . . . . . . 6358 1 439 . 1 1 42 42 ALA N N 15 121.998 . . . . . . . . . . . 6358 1 440 . 1 1 43 43 PHE H H 1 6.922 . . . . . . . . . . . 6358 1 441 . 1 1 43 43 PHE HA H 1 4.572 . . . . . . . . . . . 6358 1 442 . 1 1 43 43 PHE HB2 H 1 3.180 . . . . . . . . . . . 6358 1 443 . 1 1 43 43 PHE HB3 H 1 2.996 . . . . . . . . . . . 6358 1 444 . 1 1 43 43 PHE HD1 H 1 7.163 . . . . . . . . . . . 6358 1 445 . 1 1 43 43 PHE HD2 H 1 7.163 . . . . . . . . . . . 6358 1 446 . 1 1 43 43 PHE HE1 H 1 6.879 . . . . . . . . . . . 6358 1 447 . 1 1 43 43 PHE HE2 H 1 6.879 . . . . . . . . . . . 6358 1 448 . 1 1 43 43 PHE C C 13 175.6 . . . . . . . . . . . 6358 1 449 . 1 1 43 43 PHE CA C 13 52.9 . . . . . . . . . . . 6358 1 450 . 1 1 43 43 PHE CB C 13 36.3 . . . . . . . . . . . 6358 1 451 . 1 1 43 43 PHE N N 15 112.379 . . . . . . . . . . . 6358 1 452 . 1 1 44 44 VAL H H 1 7.387 . . . . . . . . . . . 6358 1 453 . 1 1 44 44 VAL HA H 1 3.688 . . . . . . . . . . . 6358 1 454 . 1 1 44 44 VAL HB H 1 2.095 . . . . . . . . . . . 6358 1 455 . 1 1 44 44 VAL HG11 H 1 1.215 . . . . . . . . . . . 6358 1 456 . 1 1 44 44 VAL HG12 H 1 1.215 . . . . . . . . . . . 6358 1 457 . 1 1 44 44 VAL HG13 H 1 1.215 . . . . . . . . . . . 6358 1 458 . 1 1 44 44 VAL HG21 H 1 0.987 . . . . . . . . . . . 6358 1 459 . 1 1 44 44 VAL HG22 H 1 0.987 . . . . . . . . . . . 6358 1 460 . 1 1 44 44 VAL HG23 H 1 0.987 . . . . . . . . . . . 6358 1 461 . 1 1 44 44 VAL C C 13 177.5 . . . . . . . . . . . 6358 1 462 . 1 1 44 44 VAL CA C 13 63.6 . . . . . . . . . . . 6358 1 463 . 1 1 44 44 VAL CB C 13 30 . . . . . . . . . . . 6358 1 464 . 1 1 44 44 VAL CG1 C 13 19.2 . . . . . . . . . . . 6358 1 465 . 1 1 44 44 VAL CG2 C 13 21.5 . . . . . . . . . . . 6358 1 466 . 1 1 44 44 VAL N N 15 121.041 . . . . . . . . . . . 6358 1 467 . 1 1 45 45 GLY H H 1 9.158 . . . . . . . . . . . 6358 1 468 . 1 1 45 45 GLY HA2 H 1 4.177 . . . . . . . . . . . 6358 1 469 . 1 1 45 45 GLY HA3 H 1 3.741 . . . . . . . . . . . 6358 1 470 . 1 1 45 45 GLY C C 13 173.9 . . . . . . . . . . . 6358 1 471 . 1 1 45 45 GLY CA C 13 44 . . . . . . . . . . . 6358 1 472 . 1 1 45 45 GLY N N 15 116.292 . . . . . . . . . . . 6358 1 473 . 1 1 46 46 LYS H H 1 7.962 . . . . . . . . . . . 6358 1 474 . 1 1 46 46 LYS HA H 1 4.692 . . . . . . . . . . . 6358 1 475 . 1 1 46 46 LYS HB2 H 1 1.594 . . . . . . . . . . . 6358 1 476 . 1 1 46 46 LYS HB3 H 1 1.594 . . . . . . . . . . . 6358 1 477 . 1 1 46 46 LYS HG2 H 1 1.380 . . . . . . . . . . . 6358 1 478 . 1 1 46 46 LYS HG3 H 1 1.380 . . . . . . . . . . . 6358 1 479 . 1 1 46 46 LYS HD2 H 1 1.982 . . . . . . . . . . . 6358 1 480 . 1 1 46 46 LYS HD3 H 1 1.982 . . . . . . . . . . . 6358 1 481 . 1 1 46 46 LYS HE2 H 1 3.07 . . . . . . . . . . . 6358 1 482 . 1 1 46 46 LYS HE3 H 1 3.07 . . . . . . . . . . . 6358 1 483 . 1 1 46 46 LYS C C 13 176.6 . . . . . . . . . . . 6358 1 484 . 1 1 46 46 LYS CA C 13 52.4 . . . . . . . . . . . 6358 1 485 . 1 1 46 46 LYS CB C 13 32.4 . . . . . . . . . . . 6358 1 486 . 1 1 46 46 LYS CG C 13 27.6 . . . . . . . . . . . 6358 1 487 . 1 1 46 46 LYS CD C 13 23.7 . . . . . . . . . . . 6358 1 488 . 1 1 46 46 LYS CE C 13 41.4 . . . . . . . . . . . 6358 1 489 . 1 1 46 46 LYS N N 15 118.975 . . . . . . . . . . . 6358 1 490 . 1 1 47 47 ALA H H 1 8.951 . . . . . . . . . . . 6358 1 491 . 1 1 47 47 ALA HA H 1 4.537 . . . . . . . . . . . 6358 1 492 . 1 1 47 47 ALA HB1 H 1 1.537 . . . . . . . . . . . 6358 1 493 . 1 1 47 47 ALA HB2 H 1 1.537 . . . . . . . . . . . 6358 1 494 . 1 1 47 47 ALA HB3 H 1 1.537 . . . . . . . . . . . 6358 1 495 . 1 1 47 47 ALA CA C 13 49.4 . . . . . . . . . . . 6358 1 496 . 1 1 47 47 ALA CB C 13 15.7 . . . . . . . . . . . 6358 1 497 . 1 1 47 47 ALA N N 15 129.445 . . . . . . . . . . . 6358 1 498 . 1 1 48 48 PRO HA H 1 3.754 . . . . . . . . . . . 6358 1 499 . 1 1 48 48 PRO HB2 H 1 2.218 . . . . . . . . . . . 6358 1 500 . 1 1 48 48 PRO HB3 H 1 2.218 . . . . . . . . . . . 6358 1 501 . 1 1 48 48 PRO HG2 H 1 1.807 . . . . . . . . . . . 6358 1 502 . 1 1 48 48 PRO HG3 H 1 1.807 . . . . . . . . . . . 6358 1 503 . 1 1 48 48 PRO C C 13 177.7 . . . . . . . . . . . 6358 1 504 . 1 1 48 48 PRO CA C 13 65.7 . . . . . . . . . . . 6358 1 505 . 1 1 48 48 PRO CB C 13 30.5 . . . . . . . . . . . 6358 1 506 . 1 1 48 48 PRO CG C 13 26.3 . . . . . . . . . . . 6358 1 507 . 1 1 49 49 LEU H H 1 8.44 . . . . . . . . . . . 6358 1 508 . 1 1 49 49 LEU HA H 1 3.878 . . . . . . . . . . . 6358 1 509 . 1 1 49 49 LEU HB2 H 1 1.536 . . . . . . . . . . . 6358 1 510 . 1 1 49 49 LEU HB3 H 1 1.620 . . . . . . . . . . . 6358 1 511 . 1 1 49 49 LEU HG H 1 1.578 . . . . . . . . . . . 6358 1 512 . 1 1 49 49 LEU HD11 H 1 0.852 . . . . . . . . . . . 6358 1 513 . 1 1 49 49 LEU HD12 H 1 0.852 . . . . . . . . . . . 6358 1 514 . 1 1 49 49 LEU HD13 H 1 0.852 . . . . . . . . . . . 6358 1 515 . 1 1 49 49 LEU HD21 H 1 0.937 . . . . . . . . . . . 6358 1 516 . 1 1 49 49 LEU HD22 H 1 0.937 . . . . . . . . . . . 6358 1 517 . 1 1 49 49 LEU HD23 H 1 0.937 . . . . . . . . . . . 6358 1 518 . 1 1 49 49 LEU C C 13 179.2 . . . . . . . . . . . 6358 1 519 . 1 1 49 49 LEU CA C 13 56.7 . . . . . . . . . . . 6358 1 520 . 1 1 49 49 LEU CB C 13 39.9 . . . . . . . . . . . 6358 1 521 . 1 1 49 49 LEU CG C 13 25.7 . . . . . . . . . . . 6358 1 522 . 1 1 49 49 LEU CD1 C 13 22.8 . . . . . . . . . . . 6358 1 523 . 1 1 49 49 LEU CD2 C 13 22.8 . . . . . . . . . . . 6358 1 524 . 1 1 49 49 LEU N N 15 115.47 . . . . . . . . . . . 6358 1 525 . 1 1 50 50 ALA H H 1 6.98 . . . . . . . . . . . 6358 1 526 . 1 1 50 50 ALA HA H 1 4.141 . . . . . . . . . . . 6358 1 527 . 1 1 50 50 ALA HB1 H 1 1.584 . . . . . . . . . . . 6358 1 528 . 1 1 50 50 ALA HB2 H 1 1.584 . . . . . . . . . . . 6358 1 529 . 1 1 50 50 ALA HB3 H 1 1.584 . . . . . . . . . . . 6358 1 530 . 1 1 50 50 ALA C C 13 181 . . . . . . . . . . . 6358 1 531 . 1 1 50 50 ALA CA C 13 53.2 . . . . . . . . . . . 6358 1 532 . 1 1 50 50 ALA CB C 13 17.2 . . . . . . . . . . . 6358 1 533 . 1 1 50 50 ALA N N 15 120.431 . . . . . . . . . . . 6358 1 534 . 1 1 51 51 ARG H H 1 7.998 . . . . . . . . . . . 6358 1 535 . 1 1 51 51 ARG HA H 1 3.887 . . . . . . . . . . . 6358 1 536 . 1 1 51 51 ARG HB2 H 1 2.004 . . . . . . . . . . . 6358 1 537 . 1 1 51 51 ARG HB3 H 1 2.208 . . . . . . . . . . . 6358 1 538 . 1 1 51 51 ARG HG2 H 1 0.514 . . . . . . . . . . . 6358 1 539 . 1 1 51 51 ARG HG3 H 1 0.987 . . . . . . . . . . . 6358 1 540 . 1 1 51 51 ARG HD2 H 1 2.872 . . . . . . . . . . . 6358 1 541 . 1 1 51 51 ARG HD3 H 1 2.872 . . . . . . . . . . . 6358 1 542 . 1 1 51 51 ARG C C 13 178.4 . . . . . . . . . . . 6358 1 543 . 1 1 51 51 ARG CA C 13 57.6 . . . . . . . . . . . 6358 1 544 . 1 1 51 51 ARG CB C 13 28 . . . . . . . . . . . 6358 1 545 . 1 1 51 51 ARG CG C 13 25.1 . . . . . . . . . . . 6358 1 546 . 1 1 51 51 ARG CD C 13 42.2 . . . . . . . . . . . 6358 1 547 . 1 1 51 51 ARG N N 15 117.685 . . . . . . . . . . . 6358 1 548 . 1 1 52 52 HIS H H 1 8.308 . . . . . . . . . . . 6358 1 549 . 1 1 52 52 HIS HA H 1 3.750 . . . . . . . . . . . 6358 1 550 . 1 1 52 52 HIS HB2 H 1 3.193 . . . . . . . . . . . 6358 1 551 . 1 1 52 52 HIS HB3 H 1 2.863 . . . . . . . . . . . 6358 1 552 . 1 1 52 52 HIS C C 13 177.2 . . . . . . . . . . . 6358 1 553 . 1 1 52 52 HIS CA C 13 57.7 . . . . . . . . . . . 6358 1 554 . 1 1 52 52 HIS CB C 13 28.5 . . . . . . . . . . . 6358 1 555 . 1 1 52 52 HIS N N 15 117.175 . . . . . . . . . . . 6358 1 556 . 1 1 53 53 ARG H H 1 8.197 . . . . . . . . . . . 6358 1 557 . 1 1 53 53 ARG HA H 1 4.030 . . . . . . . . . . . 6358 1 558 . 1 1 53 53 ARG HB2 H 1 1.982 . . . . . . . . . . . 6358 1 559 . 1 1 53 53 ARG HB3 H 1 1.982 . . . . . . . . . . . 6358 1 560 . 1 1 53 53 ARG HG2 H 1 1.764 . . . . . . . . . . . 6358 1 561 . 1 1 53 53 ARG HG3 H 1 1.764 . . . . . . . . . . . 6358 1 562 . 1 1 53 53 ARG HD2 H 1 3.226 . . . . . . . . . . . 6358 1 563 . 1 1 53 53 ARG HD3 H 1 3.226 . . . . . . . . . . . 6358 1 564 . 1 1 53 53 ARG C C 13 179.1 . . . . . . . . . . . 6358 1 565 . 1 1 53 53 ARG CA C 13 58.6 . . . . . . . . . . . 6358 1 566 . 1 1 53 53 ARG CB C 13 28.5 . . . . . . . . . . . 6358 1 567 . 1 1 53 53 ARG CG C 13 26.4 . . . . . . . . . . . 6358 1 568 . 1 1 53 53 ARG CD C 13 42.1 . . . . . . . . . . . 6358 1 569 . 1 1 53 53 ARG N N 15 117.982 . . . . . . . . . . . 6358 1 570 . 1 1 54 54 MET H H 1 7.782 . . . . . . . . . . . 6358 1 571 . 1 1 54 54 MET HA H 1 4.089 . . . . . . . . . . . 6358 1 572 . 1 1 54 54 MET HB2 H 1 2.641 . . . . . . . . . . . 6358 1 573 . 1 1 54 54 MET HB3 H 1 2.277 . . . . . . . . . . . 6358 1 574 . 1 1 54 54 MET HG2 H 1 2.895 . . . . . . . . . . . 6358 1 575 . 1 1 54 54 MET HG3 H 1 2.895 . . . . . . . . . . . 6358 1 576 . 1 1 54 54 MET C C 13 178.6 . . . . . . . . . . . 6358 1 577 . 1 1 54 54 MET CA C 13 57.8 . . . . . . . . . . . 6358 1 578 . 1 1 54 54 MET CB C 13 32.8 . . . . . . . . . . . 6358 1 579 . 1 1 54 54 MET N N 15 117.924 . . . . . . . . . . . 6358 1 580 . 1 1 55 55 VAL H H 1 7.433 . . . . . . . . . . . 6358 1 581 . 1 1 55 55 VAL HA H 1 3.641 . . . . . . . . . . . 6358 1 582 . 1 1 55 55 VAL HB H 1 2.000 . . . . . . . . . . . 6358 1 583 . 1 1 55 55 VAL HG11 H 1 0.695 . . . . . . . . . . . 6358 1 584 . 1 1 55 55 VAL HG12 H 1 0.695 . . . . . . . . . . . 6358 1 585 . 1 1 55 55 VAL HG13 H 1 0.695 . . . . . . . . . . . 6358 1 586 . 1 1 55 55 VAL HG21 H 1 1.085 . . . . . . . . . . . 6358 1 587 . 1 1 55 55 VAL HG22 H 1 1.085 . . . . . . . . . . . 6358 1 588 . 1 1 55 55 VAL HG23 H 1 1.085 . . . . . . . . . . . 6358 1 589 . 1 1 55 55 VAL C C 13 179.3 . . . . . . . . . . . 6358 1 590 . 1 1 55 55 VAL CA C 13 64.8 . . . . . . . . . . . 6358 1 591 . 1 1 55 55 VAL CB C 13 29.3 . . . . . . . . . . . 6358 1 592 . 1 1 55 55 VAL CG1 C 13 22.308 . . . . . . . . . . . 6358 1 593 . 1 1 55 55 VAL CG2 C 13 20.413 . . . . . . . . . . . 6358 1 594 . 1 1 55 55 VAL N N 15 117.559 . . . . . . . . . . . 6358 1 595 . 1 1 56 56 TYR H H 1 8.949 . . . . . . . . . . . 6358 1 596 . 1 1 56 56 TYR HA H 1 4.243 . . . . . . . . . . . 6358 1 597 . 1 1 56 56 TYR HB2 H 1 3.177 . . . . . . . . . . . 6358 1 598 . 1 1 56 56 TYR HB3 H 1 2.990 . . . . . . . . . . . 6358 1 599 . 1 1 56 56 TYR HD1 H 1 6.957 . . . . . . . . . . . 6358 1 600 . 1 1 56 56 TYR HD2 H 1 6.957 . . . . . . . . . . . 6358 1 601 . 1 1 56 56 TYR HE1 H 1 6.766 . . . . . . . . . . . 6358 1 602 . 1 1 56 56 TYR HE2 H 1 6.766 . . . . . . . . . . . 6358 1 603 . 1 1 56 56 TYR C C 13 179.1 . . . . . . . . . . . 6358 1 604 . 1 1 56 56 TYR CA C 13 59.1 . . . . . . . . . . . 6358 1 605 . 1 1 56 56 TYR CB C 13 35.3 . . . . . . . . . . . 6358 1 606 . 1 1 56 56 TYR N N 15 121.138 . . . . . . . . . . . 6358 1 607 . 1 1 57 57 ALA H H 1 8.166 . . . . . . . . . . . 6358 1 608 . 1 1 57 57 ALA HA H 1 4.247 . . . . . . . . . . . 6358 1 609 . 1 1 57 57 ALA HB1 H 1 1.563 . . . . . . . . . . . 6358 1 610 . 1 1 57 57 ALA HB2 H 1 1.563 . . . . . . . . . . . 6358 1 611 . 1 1 57 57 ALA HB3 H 1 1.563 . . . . . . . . . . . 6358 1 612 . 1 1 57 57 ALA C C 13 180.1 . . . . . . . . . . . 6358 1 613 . 1 1 57 57 ALA CA C 13 53.5 . . . . . . . . . . . 6358 1 614 . 1 1 57 57 ALA CB C 13 16.7 . . . . . . . . . . . 6358 1 615 . 1 1 57 57 ALA N N 15 120.468 . . . . . . . . . . . 6358 1 616 . 1 1 58 58 THR H H 1 7.503 . . . . . . . . . . . 6358 1 617 . 1 1 58 58 THR HA H 1 4.253 . . . . . . . . . . . 6358 1 618 . 1 1 58 58 THR HB H 1 4.148 . . . . . . . . . . . 6358 1 619 . 1 1 58 58 THR HG21 H 1 1.429 . . . . . . . . . . . 6358 1 620 . 1 1 58 58 THR HG22 H 1 1.429 . . . . . . . . . . . 6358 1 621 . 1 1 58 58 THR HG23 H 1 1.429 . . . . . . . . . . . 6358 1 622 . 1 1 58 58 THR C C 13 175.8 . . . . . . . . . . . 6358 1 623 . 1 1 58 58 THR CA C 13 62.6 . . . . . . . . . . . 6358 1 624 . 1 1 58 58 THR CB C 13 67.5 . . . . . . . . . . . 6358 1 625 . 1 1 58 58 THR CG2 C 13 20.8 . . . . . . . . . . . 6358 1 626 . 1 1 58 58 THR N N 15 108.536 . . . . . . . . . . . 6358 1 627 . 1 1 59 59 LEU H H 1 7.215 . . . . . . . . . . . 6358 1 628 . 1 1 59 59 LEU HA H 1 4.304 . . . . . . . . . . . 6358 1 629 . 1 1 59 59 LEU HB2 H 1 1.775 . . . . . . . . . . . 6358 1 630 . 1 1 59 59 LEU HB3 H 1 1.775 . . . . . . . . . . . 6358 1 631 . 1 1 59 59 LEU HG H 1 1.432 . . . . . . . . . . . 6358 1 632 . 1 1 59 59 LEU HD11 H 1 0.702 . . . . . . . . . . . 6358 1 633 . 1 1 59 59 LEU HD12 H 1 0.702 . . . . . . . . . . . 6358 1 634 . 1 1 59 59 LEU HD13 H 1 0.702 . . . . . . . . . . . 6358 1 635 . 1 1 59 59 LEU HD21 H 1 0.702 . . . . . . . . . . . 6358 1 636 . 1 1 59 59 LEU HD22 H 1 0.702 . . . . . . . . . . . 6358 1 637 . 1 1 59 59 LEU HD23 H 1 0.702 . . . . . . . . . . . 6358 1 638 . 1 1 59 59 LEU C C 13 178 . . . . . . . . . . . 6358 1 639 . 1 1 59 59 LEU CA C 13 53.4 . . . . . . . . . . . 6358 1 640 . 1 1 59 59 LEU CB C 13 41.1 . . . . . . . . . . . 6358 1 641 . 1 1 59 59 LEU CG C 13 25.1 . . . . . . . . . . . 6358 1 642 . 1 1 59 59 LEU CD1 C 13 22.6 . . . . . . . . . . . 6358 1 643 . 1 1 59 59 LEU CD2 C 13 22.6 . . . . . . . . . . . 6358 1 644 . 1 1 59 59 LEU N N 15 119.319 . . . . . . . . . . . 6358 1 645 . 1 1 60 60 GLY H H 1 7.61 . . . . . . . . . . . 6358 1 646 . 1 1 60 60 GLY HA2 H 1 3.868 . . . . . . . . . . . 6358 1 647 . 1 1 60 60 GLY HA3 H 1 3.868 . . . . . . . . . . . 6358 1 648 . 1 1 60 60 GLY C C 13 41.1 . . . . . . . . . . . 6358 1 649 . 1 1 60 60 GLY CA C 13 45.8 . . . . . . . . . . . 6358 1 650 . 1 1 60 60 GLY N N 15 107.022 . . . . . . . . . . . 6358 1 651 . 1 1 61 61 GLU H H 1 8.983 . . . . . . . . . . . 6358 1 652 . 1 1 61 61 GLU HA H 1 4.265 . . . . . . . . . . . 6358 1 653 . 1 1 61 61 GLU HB2 H 1 1.980 . . . . . . . . . . . 6358 1 654 . 1 1 61 61 GLU HB3 H 1 2.155 . . . . . . . . . . . 6358 1 655 . 1 1 61 61 GLU HG2 H 1 2.273 . . . . . . . . . . . 6358 1 656 . 1 1 61 61 GLU HG3 H 1 2.273 . . . . . . . . . . . 6358 1 657 . 1 1 61 61 GLU C C 13 177.4 . . . . . . . . . . . 6358 1 658 . 1 1 61 61 GLU CA C 13 55.9 . . . . . . . . . . . 6358 1 659 . 1 1 61 61 GLU CB C 13 27.9 . . . . . . . . . . . 6358 1 660 . 1 1 61 61 GLU CG C 13 34.9 . . . . . . . . . . . 6358 1 661 . 1 1 61 61 GLU N N 15 123.826 . . . . . . . . . . . 6358 1 662 . 1 1 62 62 LEU H H 1 7.902 . . . . . . . . . . . 6358 1 663 . 1 1 62 62 LEU HA H 1 4.244 . . . . . . . . . . . 6358 1 664 . 1 1 62 62 LEU HB2 H 1 1.437 . . . . . . . . . . . 6358 1 665 . 1 1 62 62 LEU HB3 H 1 1.772 . . . . . . . . . . . 6358 1 666 . 1 1 62 62 LEU HG H 1 1.676 . . . . . . . . . . . 6358 1 667 . 1 1 62 62 LEU HD11 H 1 0.808 . . . . . . . . . . . 6358 1 668 . 1 1 62 62 LEU HD12 H 1 0.808 . . . . . . . . . . . 6358 1 669 . 1 1 62 62 LEU HD13 H 1 0.808 . . . . . . . . . . . 6358 1 670 . 1 1 62 62 LEU HD21 H 1 0.808 . . . . . . . . . . . 6358 1 671 . 1 1 62 62 LEU HD22 H 1 0.808 . . . . . . . . . . . 6358 1 672 . 1 1 62 62 LEU HD23 H 1 0.808 . . . . . . . . . . . 6358 1 673 . 1 1 62 62 LEU C C 13 178.4 . . . . . . . . . . . 6358 1 674 . 1 1 62 62 LEU CA C 13 55.3 . . . . . . . . . . . 6358 1 675 . 1 1 62 62 LEU CB C 13 40.9 . . . . . . . . . . . 6358 1 676 . 1 1 62 62 LEU CG C 13 25.8 . . . . . . . . . . . 6358 1 677 . 1 1 62 62 LEU CD1 C 13 22.1 . . . . . . . . . . . 6358 1 678 . 1 1 62 62 LEU CD2 C 13 23.9 . . . . . . . . . . . 6358 1 679 . 1 1 62 62 LEU N N 15 119.372 . . . . . . . . . . . 6358 1 680 . 1 1 63 63 MET H H 1 7.717 . . . . . . . . . . . 6358 1 681 . 1 1 63 63 MET HA H 1 4.395 . . . . . . . . . . . 6358 1 682 . 1 1 63 63 MET HB2 H 1 2.062 . . . . . . . . . . . 6358 1 683 . 1 1 63 63 MET HB3 H 1 1.904 . . . . . . . . . . . 6358 1 684 . 1 1 63 63 MET HG2 H 1 2.358 . . . . . . . . . . . 6358 1 685 . 1 1 63 63 MET HG3 H 1 2.441 . . . . . . . . . . . 6358 1 686 . 1 1 63 63 MET C C 13 177 . . . . . . . . . . . 6358 1 687 . 1 1 63 63 MET CA C 13 54.2 . . . . . . . . . . . 6358 1 688 . 1 1 63 63 MET CB C 13 29.7 . . . . . . . . . . . 6358 1 689 . 1 1 63 63 MET N N 15 115.313 . . . . . . . . . . . 6358 1 690 . 1 1 64 64 GLY H H 1 8.284 . . . . . . . . . . . 6358 1 691 . 1 1 64 64 GLY HA2 H 1 4.009 . . . . . . . . . . . 6358 1 692 . 1 1 64 64 GLY HA3 H 1 3.829 . . . . . . . . . . . 6358 1 693 . 1 1 64 64 GLY C C 13 175.0 . . . . . . . . . . . 6358 1 694 . 1 1 64 64 GLY CA C 13 44.7 . . . . . . . . . . . 6358 1 695 . 1 1 64 64 GLY N N 15 110.528 . . . . . . . . . . . 6358 1 696 . 1 1 65 65 GLY H H 1 7.953 . . . . . . . . . . . 6358 1 697 . 1 1 65 65 GLY HA2 H 1 3.957 . . . . . . . . . . . 6358 1 698 . 1 1 65 65 GLY HA3 H 1 3.957 . . . . . . . . . . . 6358 1 699 . 1 1 65 65 GLY C C 13 174.3 . . . . . . . . . . . 6358 1 700 . 1 1 65 65 GLY CA C 13 44.49 . . . . . . . . . . . 6358 1 701 . 1 1 65 65 GLY N N 15 109.26 . . . . . . . . . . . 6358 1 702 . 1 1 66 66 ALA H H 1 8.124 . . . . . . . . . . . 6358 1 703 . 1 1 66 66 ALA HA H 1 4.307 . . . . . . . . . . . 6358 1 704 . 1 1 66 66 ALA HB1 H 1 1.462 . . . . . . . . . . . 6358 1 705 . 1 1 66 66 ALA HB2 H 1 1.462 . . . . . . . . . . . 6358 1 706 . 1 1 66 66 ALA HB3 H 1 1.462 . . . . . . . . . . . 6358 1 707 . 1 1 66 66 ALA C C 13 178 . . . . . . . . . . . 6358 1 708 . 1 1 66 66 ALA CA C 13 52.2 . . . . . . . . . . . 6358 1 709 . 1 1 66 66 ALA CB C 13 18 . . . . . . . . . . . 6358 1 710 . 1 1 66 66 ALA N N 15 124.81 . . . . . . . . . . . 6358 1 711 . 1 1 67 67 ILE H H 1 7.741 . . . . . . . . . . . 6358 1 712 . 1 1 67 67 ILE HA H 1 4.000 . . . . . . . . . . . 6358 1 713 . 1 1 67 67 ILE HB H 1 1.743 . . . . . . . . . . . 6358 1 714 . 1 1 67 67 ILE HG12 H 1 0.832 . . . . . . . . . . . 6358 1 715 . 1 1 67 67 ILE HG13 H 1 1.293 . . . . . . . . . . . 6358 1 716 . 1 1 67 67 ILE HG21 H 1 0.676 . . . . . . . . . . . 6358 1 717 . 1 1 67 67 ILE HG22 H 1 0.676 . . . . . . . . . . . 6358 1 718 . 1 1 67 67 ILE HG23 H 1 0.676 . . . . . . . . . . . 6358 1 719 . 1 1 67 67 ILE HD11 H 1 0.631 . . . . . . . . . . . 6358 1 720 . 1 1 67 67 ILE HD12 H 1 0.631 . . . . . . . . . . . 6358 1 721 . 1 1 67 67 ILE HD13 H 1 0.631 . . . . . . . . . . . 6358 1 722 . 1 1 67 67 ILE CA C 13 60.3 . . . . . . . . . . . 6358 1 723 . 1 1 67 67 ILE CB C 13 37 . . . . . . . . . . . 6358 1 724 . 1 1 67 67 ILE N N 15 115.792 . . . . . . . . . . . 6358 1 725 . 1 1 68 68 HIS HA H 1 4.581 . . . . . . . . . . . 6358 1 726 . 1 1 68 68 HIS HB2 H 1 3.163 . . . . . . . . . . . 6358 1 727 . 1 1 68 68 HIS HB3 H 1 2.913 . . . . . . . . . . . 6358 1 728 . 1 1 68 68 HIS C C 13 175.3 . . . . . . . . . . . 6358 1 729 . 1 1 68 68 HIS CA C 13 55.5 . . . . . . . . . . . 6358 1 730 . 1 1 68 68 HIS CB C 13 28.8 . . . . . . . . . . . 6358 1 731 . 1 1 69 69 ALA H H 1 7.76 . . . . . . . . . . . 6358 1 732 . 1 1 69 69 ALA HA H 1 4.496 . . . . . . . . . . . 6358 1 733 . 1 1 69 69 ALA HB1 H 1 1.479 . . . . . . . . . . . 6358 1 734 . 1 1 69 69 ALA HB2 H 1 1.479 . . . . . . . . . . . 6358 1 735 . 1 1 69 69 ALA HB3 H 1 1.479 . . . . . . . . . . . 6358 1 736 . 1 1 69 69 ALA C C 13 175.2 . . . . . . . . . . . 6358 1 737 . 1 1 69 69 ALA CA C 13 50.9 . . . . . . . . . . . 6358 1 738 . 1 1 69 69 ALA CB C 13 19.7 . . . . . . . . . . . 6358 1 739 . 1 1 69 69 ALA N N 15 120.663 . . . . . . . . . . . 6358 1 740 . 1 1 70 70 LEU H H 1 8.243 . . . . . . . . . . . 6358 1 741 . 1 1 70 70 LEU HA H 1 4.982 . . . . . . . . . . . 6358 1 742 . 1 1 70 70 LEU HB2 H 1 1.940 . . . . . . . . . . . 6358 1 743 . 1 1 70 70 LEU HB3 H 1 1.940 . . . . . . . . . . . 6358 1 744 . 1 1 70 70 LEU HG H 1 1.243 . . . . . . . . . . . 6358 1 745 . 1 1 70 70 LEU HD11 H 1 0.716 . . . . . . . . . . . 6358 1 746 . 1 1 70 70 LEU HD12 H 1 0.716 . . . . . . . . . . . 6358 1 747 . 1 1 70 70 LEU HD13 H 1 0.716 . . . . . . . . . . . 6358 1 748 . 1 1 70 70 LEU HD21 H 1 0.716 . . . . . . . . . . . 6358 1 749 . 1 1 70 70 LEU HD22 H 1 0.716 . . . . . . . . . . . 6358 1 750 . 1 1 70 70 LEU HD23 H 1 0.716 . . . . . . . . . . . 6358 1 751 . 1 1 70 70 LEU C C 13 174.8 . . . . . . . . . . . 6358 1 752 . 1 1 70 70 LEU CA C 13 52 . . . . . . . . . . . 6358 1 753 . 1 1 70 70 LEU CB C 13 42.7 . . . . . . . . . . . 6358 1 754 . 1 1 70 70 LEU CG C 13 25.3 . . . . . . . . . . . 6358 1 755 . 1 1 70 70 LEU CD1 C 13 22.8 . . . . . . . . . . . 6358 1 756 . 1 1 70 70 LEU CD2 C 13 22.8 . . . . . . . . . . . 6358 1 757 . 1 1 70 70 LEU N N 15 122.332 . . . . . . . . . . . 6358 1 758 . 1 1 71 71 GLN H H 1 8.624 . . . . . . . . . . . 6358 1 759 . 1 1 71 71 GLN HA H 1 4.640 . . . . . . . . . . . 6358 1 760 . 1 1 71 71 GLN HB2 H 1 2.097 . . . . . . . . . . . 6358 1 761 . 1 1 71 71 GLN HB3 H 1 2.097 . . . . . . . . . . . 6358 1 762 . 1 1 71 71 GLN HG2 H 1 2.425 . . . . . . . . . . . 6358 1 763 . 1 1 71 71 GLN HG3 H 1 2.425 . . . . . . . . . . . 6358 1 764 . 1 1 71 71 GLN CA C 13 53.6 . . . . . . . . . . . 6358 1 765 . 1 1 71 71 GLN CB C 13 28.4 . . . . . . . . . . . 6358 1 766 . 1 1 71 71 GLN CG C 13 32.3 . . . . . . . . . . . 6358 1 767 . 1 1 71 71 GLN N N 15 127.641 . . . . . . . . . . . 6358 1 768 . 1 1 72 72 LEU H H 1 8.613 . . . . . . . . . . . 6358 1 769 . 1 1 72 72 LEU HA H 1 5.196 . . . . . . . . . . . 6358 1 770 . 1 1 72 72 LEU HB2 H 1 0.984 . . . . . . . . . . . 6358 1 771 . 1 1 72 72 LEU HB3 H 1 0.984 . . . . . . . . . . . 6358 1 772 . 1 1 72 72 LEU HG H 1 1.185 . . . . . . . . . . . 6358 1 773 . 1 1 72 72 LEU HD11 H 1 0.481 . . . . . . . . . . . 6358 1 774 . 1 1 72 72 LEU HD12 H 1 0.481 . . . . . . . . . . . 6358 1 775 . 1 1 72 72 LEU HD13 H 1 0.481 . . . . . . . . . . . 6358 1 776 . 1 1 72 72 LEU HD21 H 1 0.300 . . . . . . . . . . . 6358 1 777 . 1 1 72 72 LEU HD22 H 1 0.300 . . . . . . . . . . . 6358 1 778 . 1 1 72 72 LEU HD23 H 1 0.300 . . . . . . . . . . . 6358 1 779 . 1 1 72 72 LEU C C 13 175.8 . . . . . . . . . . . 6358 1 780 . 1 1 72 72 LEU CA C 13 52.4 . . . . . . . . . . . 6358 1 781 . 1 1 72 72 LEU CB C 13 44.6 . . . . . . . . . . . 6358 1 782 . 1 1 72 72 LEU CG C 13 24.6 . . . . . . . . . . . 6358 1 783 . 1 1 72 72 LEU CD1 C 13 24.1 . . . . . . . . . . . 6358 1 784 . 1 1 72 72 LEU CD2 C 13 24.1 . . . . . . . . . . . 6358 1 785 . 1 1 72 72 LEU N N 15 125.699 . . . . . . . . . . . 6358 1 786 . 1 1 73 73 LYS H H 1 8.583 . . . . . . . . . . . 6358 1 787 . 1 1 73 73 LYS HA H 1 4.688 . . . . . . . . . . . 6358 1 788 . 1 1 73 73 LYS HB2 H 1 1.836 . . . . . . . . . . . 6358 1 789 . 1 1 73 73 LYS HB3 H 1 1.836 . . . . . . . . . . . 6358 1 790 . 1 1 73 73 LYS HG2 H 1 1.443 . . . . . . . . . . . 6358 1 791 . 1 1 73 73 LYS HG3 H 1 1.443 . . . . . . . . . . . 6358 1 792 . 1 1 73 73 LYS HD2 H 1 0.956 . . . . . . . . . . . 6358 1 793 . 1 1 73 73 LYS HD3 H 1 1.141 . . . . . . . . . . . 6358 1 794 . 1 1 73 73 LYS HE2 H 1 2.987 . . . . . . . . . . . 6358 1 795 . 1 1 73 73 LYS HE3 H 1 2.987 . . . . . . . . . . . 6358 1 796 . 1 1 73 73 LYS C C 13 175.2 . . . . . . . . . . . 6358 1 797 . 1 1 73 73 LYS CA C 13 54.4 . . . . . . . . . . . 6358 1 798 . 1 1 73 73 LYS CB C 13 32.9 . . . . . . . . . . . 6358 1 799 . 1 1 73 73 LYS CG C 13 27.7 . . . . . . . . . . . 6358 1 800 . 1 1 73 73 LYS CD C 13 23.3 . . . . . . . . . . . 6358 1 801 . 1 1 73 73 LYS CE C 13 40.5 . . . . . . . . . . . 6358 1 802 . 1 1 73 73 LYS N N 15 124.183 . . . . . . . . . . . 6358 1 803 . 1 1 74 74 THR H H 1 8.732 . . . . . . . . . . . 6358 1 804 . 1 1 74 74 THR HA H 1 5.160 . . . . . . . . . . . 6358 1 805 . 1 1 74 74 THR HB H 1 2.911 . . . . . . . . . . . 6358 1 806 . 1 1 74 74 THR HG21 H 1 0.558 . . . . . . . . . . . 6358 1 807 . 1 1 74 74 THR HG22 H 1 0.558 . . . . . . . . . . . 6358 1 808 . 1 1 74 74 THR HG23 H 1 0.558 . . . . . . . . . . . 6358 1 809 . 1 1 74 74 THR C C 13 175.1 . . . . . . . . . . . 6358 1 810 . 1 1 74 74 THR CA C 13 55.6 . . . . . . . . . . . 6358 1 811 . 1 1 74 74 THR CB C 13 67.9 . . . . . . . . . . . 6358 1 812 . 1 1 74 74 THR CG2 C 13 20.4 . . . . . . . . . . . 6358 1 813 . 1 1 74 74 THR N N 15 113.899 . . . . . . . . . . . 6358 1 814 . 1 1 75 75 LEU H H 1 9.276 . . . . . . . . . . . 6358 1 815 . 1 1 75 75 LEU HA H 1 5.100 . . . . . . . . . . . 6358 1 816 . 1 1 75 75 LEU HB2 H 1 1.648 . . . . . . . . . . . 6358 1 817 . 1 1 75 75 LEU HB3 H 1 1.828 . . . . . . . . . . . 6358 1 818 . 1 1 75 75 LEU HG H 1 1.443 . . . . . . . . . . . 6358 1 819 . 1 1 75 75 LEU HD11 H 1 0.841 . . . . . . . . . . . 6358 1 820 . 1 1 75 75 LEU HD12 H 1 0.841 . . . . . . . . . . . 6358 1 821 . 1 1 75 75 LEU HD13 H 1 0.841 . . . . . . . . . . . 6358 1 822 . 1 1 75 75 LEU HD21 H 1 0.871 . . . . . . . . . . . 6358 1 823 . 1 1 75 75 LEU HD22 H 1 0.871 . . . . . . . . . . . 6358 1 824 . 1 1 75 75 LEU HD23 H 1 0.871 . . . . . . . . . . . 6358 1 825 . 1 1 75 75 LEU C C 13 176.4 . . . . . . . . . . . 6358 1 826 . 1 1 75 75 LEU CA C 13 52 . . . . . . . . . . . 6358 1 827 . 1 1 75 75 LEU CB C 13 44.7 . . . . . . . . . . . 6358 1 828 . 1 1 75 75 LEU CG C 13 25.7 . . . . . . . . . . . 6358 1 829 . 1 1 75 75 LEU CD1 C 13 22.1 . . . . . . . . . . . 6358 1 830 . 1 1 75 75 LEU CD2 C 13 24.2 . . . . . . . . . . . 6358 1 831 . 1 1 75 75 LEU N N 15 127.281 . . . . . . . . . . . 6358 1 832 . 1 1 76 76 THR H H 1 8.856 . . . . . . . . . . . 6358 1 833 . 1 1 76 76 THR HA H 1 4.931 . . . . . . . . . . . 6358 1 834 . 1 1 76 76 THR HB H 1 4.595 . . . . . . . . . . . 6358 1 835 . 1 1 76 76 THR HG21 H 1 1.334 . . . . . . . . . . . 6358 1 836 . 1 1 76 76 THR HG22 H 1 1.334 . . . . . . . . . . . 6358 1 837 . 1 1 76 76 THR HG23 H 1 1.334 . . . . . . . . . . . 6358 1 838 . 1 1 76 76 THR CA C 13 58.5 . . . . . . . . . . . 6358 1 839 . 1 1 76 76 THR CB C 13 65.2 . . . . . . . . . . . 6358 1 840 . 1 1 76 76 THR N N 15 112.856 . . . . . . . . . . . 6358 1 841 . 1 1 77 77 PRO HA H 1 4.036 . . . . . . . . . . . 6358 1 842 . 1 1 77 77 PRO HB2 H 1 2.392 . . . . . . . . . . . 6358 1 843 . 1 1 77 77 PRO HB3 H 1 2.162 . . . . . . . . . . . 6358 1 844 . 1 1 77 77 PRO HG2 H 1 1.881 . . . . . . . . . . . 6358 1 845 . 1 1 77 77 PRO HG3 H 1 1.881 . . . . . . . . . . . 6358 1 846 . 1 1 77 77 PRO HD2 H 1 3.198 . . . . . . . . . . . 6358 1 847 . 1 1 77 77 PRO HD3 H 1 3.798 . . . . . . . . . . . 6358 1 848 . 1 1 77 77 PRO C C 13 177.7 . . . . . . . . . . . 6358 1 849 . 1 1 77 77 PRO CA C 13 64.2 . . . . . . . . . . . 6358 1 850 . 1 1 77 77 PRO CB C 13 30.1 . . . . . . . . . . . 6358 1 851 . 1 1 77 77 PRO CG C 13 26.6 . . . . . . . . . . . 6358 1 852 . 1 1 77 77 PRO CD C 13 47.8 . . . . . . . . . . . 6358 1 853 . 1 1 78 78 ASP H H 1 8.051 . . . . . . . . . . . 6358 1 854 . 1 1 78 78 ASP HA H 1 4.520 . . . . . . . . . . . 6358 1 855 . 1 1 78 78 ASP HB2 H 1 2.638 . . . . . . . . . . . 6358 1 856 . 1 1 78 78 ASP HB3 H 1 2.638 . . . . . . . . . . . 6358 1 857 . 1 1 78 78 ASP C C 13 176.7 . . . . . . . . . . . 6358 1 858 . 1 1 78 78 ASP CA C 13 53.68 . . . . . . . . . . . 6358 1 859 . 1 1 78 78 ASP CB C 13 39.11 . . . . . . . . . . . 6358 1 860 . 1 1 78 78 ASP N N 15 112.61 . . . . . . . . . . . 6358 1 861 . 1 1 79 79 GLU H H 1 7.570 . . . . . . . . . . . 6358 1 862 . 1 1 79 79 GLU HA H 1 4.268 . . . . . . . . . . . 6358 1 863 . 1 1 79 79 GLU HB2 H 1 2.106 . . . . . . . . . . . 6358 1 864 . 1 1 79 79 GLU HB3 H 1 2.106 . . . . . . . . . . . 6358 1 865 . 1 1 79 79 GLU HG2 H 1 2.316 . . . . . . . . . . . 6358 1 866 . 1 1 79 79 GLU HG3 H 1 2.316 . . . . . . . . . . . 6358 1 867 . 1 1 79 79 GLU C C 13 175.6 . . . . . . . . . . . 6358 1 868 . 1 1 79 79 GLU CA C 13 54.48 . . . . . . . . . . . 6358 1 869 . 1 1 79 79 GLU CB C 13 30.62 . . . . . . . . . . . 6358 1 870 . 1 1 79 79 GLU CG C 13 35.1 . . . . . . . . . . . 6358 1 871 . 1 1 79 79 GLU N N 15 119.82 . . . . . . . . . . . 6358 1 872 . 1 1 80 80 ALA H H 1 7.220 . . . . . . . . . . . 6358 1 873 . 1 1 80 80 ALA HA H 1 4.103 . . . . . . . . . . . 6358 1 874 . 1 1 80 80 ALA HB1 H 1 1.339 . . . . . . . . . . . 6358 1 875 . 1 1 80 80 ALA HB2 H 1 1.339 . . . . . . . . . . . 6358 1 876 . 1 1 80 80 ALA HB3 H 1 1.339 . . . . . . . . . . . 6358 1 877 . 1 1 80 80 ALA CA C 13 52.28 . . . . . . . . . . . 6358 1 878 . 1 1 80 80 ALA CB C 13 19.16 . . . . . . . . . . . 6358 1 879 . 1 1 80 80 ALA N N 15 127.17 . . . . . . . . . . . 6358 1 stop_ save_