data_5106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5106 _Entry.Title ; An NMR Approach to Structural Proteomics ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-14 _Entry.Accession_date 2001-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Adelinda Yee . . . 5106 2 Xiaoqing Chang . . . 5106 3 Antonio Pineda-Lucena . . . 5106 4 Bin Wu . . . 5106 5 Anthony Semesi . . . 5106 6 Brian Le . . . 5106 7 Theresa Ramelot . . . 5106 8 Gregory Lee . M. . 5106 9 Sudeepa Bhattacharyya . . . 5106 10 Pablo Gutierrez . . . 5106 11 Aleksej Denisov . . . 5106 12 Chang-Hun Lee . . . 5106 13 John Cort . R. . 5106 14 Guennadi Kozlov . . . 5106 15 Jack Liao . . . 5106 16 Grzegorz Finak . . . 5106 17 Limin Chen . . . 5106 18 David Wishart . . . 5106 19 Weontae Lee . . . 5106 20 Lawrence McIntosh . P. . 5106 21 Kalle Gehring . . . 5106 22 Michael Kennedy . A. . 5106 23 Aled Edwards . M. . 5106 24 Cheryl Arrowsmith . H. . 5106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 524 5106 '13C chemical shifts' 305 5106 '15N chemical shifts' 68 5106 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-16 2001-08-14 update BMRB 'added time domain data' 5106 1 . . 2002-04-08 2001-08-14 original author 'original release' 5106 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5106 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21843898 _Citation.DOI . _Citation.PubMed_ID 11854485 _Citation.Full_citation . _Citation.Title 'An NMR Approach to Structural Proteomics' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 4 _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 1825 _Citation.Page_last 1830 _Citation.Year 2002 _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 Adelinda Yee . . . 5106 1 2 Xiaoqing Chang . . . 5106 1 3 Antonio Pineda-Lucena . . . 5106 1 4 Bin Wu . . . 5106 1 5 Anthony Semesi . . . 5106 1 6 Brian Le . . . 5106 1 7 Theresa Ramelot . . . 5106 1 8 Gregory Lee . M. . 5106 1 9 Sudeepa Bhattacharyya . . . 5106 1 10 Pablo Gutierrez . . . 5106 1 11 Aleksej Denisov . . . 5106 1 12 Chang-Hun Lee . . . 5106 1 13 John Cort . R. . 5106 1 14 Guennadi Kozlov . . . 5106 1 15 Jack Liao . . . 5106 1 16 Grzegorz Finak . . . 5106 1 17 Limin Chen . . . 5106 1 18 David Wishart . . . 5106 1 19 Weontae Lee . . . 5106 1 20 Lawrence McIntosh . P. . 5106 1 21 Kalle Gehring . . . 5106 1 22 Michael Kennedy . A. . 5106 1 23 Aled Edwards . M. . 5106 1 24 Cheryl Arrowsmith . H. . 5106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH1743 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH1743 _Assembly.Entry_ID 5106 _Assembly.ID 1 _Assembly.Name MTH1743 _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 5106 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 MTH1743 1 $MTH1743 . . . native . . . . . 5106 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MTH1743 system 5106 1 MTH1743 abbreviation 5106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1743 _Entity.Sf_category entity _Entity.Sf_framecode MTH1743 _Entity.Entry_ID 5106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTH1743 _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 ; MVIGMKFTVITDDGKKILES GAPRRIKDVLGELEIPIETV VVKKNGQIVIDEEEIFDGDI IEVIRVIYGG ; _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 70 _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 1RYJ . "Solution Nmr Structure Of Protein Mth1743 From Methanobacterium Thermoautotrophicum. Ontario Centre For Structural Proteomics T" . . . . . 100.00 70 100.00 100.00 1.86e-37 . . . . 5106 1 2 no DBJ BAM70842 . "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" . . . . . 94.29 66 96.97 100.00 1.60e-33 . . . . 5106 1 3 no GB AAB86213 . "unknown [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 70 100.00 100.00 1.86e-37 . . . . 5106 1 4 no REF NP_276853 . "hypothetical protein MTH1743 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 70 100.00 100.00 1.86e-37 . . . . 5106 1 5 no REF WP_010877349 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 100.00 70 100.00 100.00 1.86e-37 . . . . 5106 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MTH1743 common 5106 1 MTH1743 abbreviation 5106 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 4 MET . 5106 1 2 5 VAL . 5106 1 3 6 ILE . 5106 1 4 7 GLY . 5106 1 5 8 MET . 5106 1 6 9 LYS . 5106 1 7 10 PHE . 5106 1 8 11 THR . 5106 1 9 12 VAL . 5106 1 10 13 ILE . 5106 1 11 14 THR . 5106 1 12 15 ASP . 5106 1 13 16 ASP . 5106 1 14 17 GLY . 5106 1 15 18 LYS . 5106 1 16 19 LYS . 5106 1 17 20 ILE . 5106 1 18 21 LEU . 5106 1 19 22 GLU . 5106 1 20 23 SER . 5106 1 21 24 GLY . 5106 1 22 25 ALA . 5106 1 23 26 PRO . 5106 1 24 27 ARG . 5106 1 25 28 ARG . 5106 1 26 29 ILE . 5106 1 27 30 LYS . 5106 1 28 31 ASP . 5106 1 29 32 VAL . 5106 1 30 33 LEU . 5106 1 31 34 GLY . 5106 1 32 35 GLU . 5106 1 33 36 LEU . 5106 1 34 37 GLU . 5106 1 35 38 ILE . 5106 1 36 39 PRO . 5106 1 37 40 ILE . 5106 1 38 41 GLU . 5106 1 39 42 THR . 5106 1 40 43 VAL . 5106 1 41 44 VAL . 5106 1 42 45 VAL . 5106 1 43 46 LYS . 5106 1 44 47 LYS . 5106 1 45 48 ASN . 5106 1 46 49 GLY . 5106 1 47 50 GLN . 5106 1 48 51 ILE . 5106 1 49 52 VAL . 5106 1 50 53 ILE . 5106 1 51 54 ASP . 5106 1 52 55 GLU . 5106 1 53 56 GLU . 5106 1 54 57 GLU . 5106 1 55 58 ILE . 5106 1 56 59 PHE . 5106 1 57 60 ASP . 5106 1 58 61 GLY . 5106 1 59 62 ASP . 5106 1 60 63 ILE . 5106 1 61 64 ILE . 5106 1 62 65 GLU . 5106 1 63 66 VAL . 5106 1 64 67 ILE . 5106 1 65 68 ARG . 5106 1 66 69 VAL . 5106 1 67 70 ILE . 5106 1 68 71 TYR . 5106 1 69 72 GLY . 5106 1 70 73 GLY . 5106 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 5106 1 . VAL 2 2 5106 1 . ILE 3 3 5106 1 . GLY 4 4 5106 1 . MET 5 5 5106 1 . LYS 6 6 5106 1 . PHE 7 7 5106 1 . THR 8 8 5106 1 . VAL 9 9 5106 1 . ILE 10 10 5106 1 . THR 11 11 5106 1 . ASP 12 12 5106 1 . ASP 13 13 5106 1 . GLY 14 14 5106 1 . LYS 15 15 5106 1 . LYS 16 16 5106 1 . ILE 17 17 5106 1 . LEU 18 18 5106 1 . GLU 19 19 5106 1 . SER 20 20 5106 1 . GLY 21 21 5106 1 . ALA 22 22 5106 1 . PRO 23 23 5106 1 . ARG 24 24 5106 1 . ARG 25 25 5106 1 . ILE 26 26 5106 1 . LYS 27 27 5106 1 . ASP 28 28 5106 1 . VAL 29 29 5106 1 . LEU 30 30 5106 1 . GLY 31 31 5106 1 . GLU 32 32 5106 1 . LEU 33 33 5106 1 . GLU 34 34 5106 1 . ILE 35 35 5106 1 . PRO 36 36 5106 1 . ILE 37 37 5106 1 . GLU 38 38 5106 1 . THR 39 39 5106 1 . VAL 40 40 5106 1 . VAL 41 41 5106 1 . VAL 42 42 5106 1 . LYS 43 43 5106 1 . LYS 44 44 5106 1 . ASN 45 45 5106 1 . GLY 46 46 5106 1 . GLN 47 47 5106 1 . ILE 48 48 5106 1 . VAL 49 49 5106 1 . ILE 50 50 5106 1 . ASP 51 51 5106 1 . GLU 52 52 5106 1 . GLU 53 53 5106 1 . GLU 54 54 5106 1 . ILE 55 55 5106 1 . PHE 56 56 5106 1 . ASP 57 57 5106 1 . GLY 58 58 5106 1 . ASP 59 59 5106 1 . ILE 60 60 5106 1 . ILE 61 61 5106 1 . GLU 62 62 5106 1 . VAL 63 63 5106 1 . ILE 64 64 5106 1 . ARG 65 65 5106 1 . VAL 66 66 5106 1 . ILE 67 67 5106 1 . TYR 68 68 5106 1 . GLY 69 69 5106 1 . GLY 70 70 5106 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 5106 _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 $MTH1743 . 145262 . . 'Methanobacterium thermoautotrophicum' 'Methanothermobacter thermoautotrophicus' . . Archaea Euryarchaeota Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 5106 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 5106 _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 $MTH1743 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_1 _Sample.Entry_ID 5106 _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 MTH1743 '[U-13C; U-15N]' . . 1 $MTH1743 . . . . . mM . . . . 5106 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-COND_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-COND_1 _Sample_condition_list.Entry_ID 5106 _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 6.5 0.2 n/a 5106 1 temperature 298 1 K 5106 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5106 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5106 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 VARIAN INOVA . 500 . . . 5106 1 2 NMR_spectrometer_2 VARIAN INOVA . 600 . . . 5106 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 5106 _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 '1H-15N HSQC' yes 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 2 '1H-13C HSQC' yes 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 3 CBCACONH yes 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 4 CCC-TOCSY-NH yes 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 5 '3D CN Simultaneous NOESY' yes 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 6 'HCCH TOCSY' yes 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 7 HCC-TOCSY-NH yes 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 8 HNCACB yes 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 9 HNCO yes 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5106 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_Nhsqc/' . . . . . . . 5106 1 Nhsqc.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_Nhsqc/' . . . . . . . 5106 1 fidsort 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_Nhsqc/' . . . . . . . 5106 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_Nhsqc/' . . . . . . . 5106 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5106 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_c13hsqc/' . . . . . . . 5106 2 C13hsqc.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_c13hsqc/' . . . . . . . 5106 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_c13hsqc/' . . . . . . . 5106 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_c13hsqc/' . . . . . . . 5106 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cbcaconh/' . . . . . . . 5106 3 cbcaconh.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cbcaconh/' . . . . . . . 5106 3 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cbcaconh/' . . . . . . . 5106 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cbcaconh/' . . . . . . . 5106 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCC-TOCSY-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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_ccctocsy_nh/' . . . . . . . 5106 4 ccctocsy.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_ccctocsy_nh/' . . . . . . . 5106 4 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_ccctocsy_nh/' . . . . . . . 5106 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_ccctocsy_nh/' . . . . . . . 5106 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CN Simultaneous NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cnnoesy/' . . . . . . . 5106 5 Cnoesy.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cnnoesy/' . . . . . . . 5106 5 Nnoesy.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cnnoesy/' . . . . . . . 5106 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cnnoesy/' . . . . . . . 5106 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_cnnoesy/' . . . . . . . 5106 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcchtocsy/' . . . . . . . 5106 6 hcchtocsy.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcchtocsy/' . . . . . . . 5106 6 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcchtocsy/' . . . . . . . 5106 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcchtocsy/' . . . . . . . 5106 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC-TOCSY-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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcctocsy_nh/' . . . . . . . 5106 7 hcctocsynnh.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcctocsy_nh/' . . . . . . . 5106 7 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcctocsy_nh/' . . . . . . . 5106 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hcctocsy_nh/' . . . . . . . 5106 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hncacb/' . . . . . . . 5106 8 hncacb.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hncacb/' . . . . . . . 5106 8 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hncacb/' . . . . . . . 5106 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hncacb/' . . . . . . . 5106 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 5106 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hnco/' . . . . . . . 5106 9 hnco.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hnco/' . . . . . . . 5106 9 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hnco/' . . . . . . . 5106 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5106/timedomain_data/mth1743_hnco/' . . . . . . . 5106 9 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5106 _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 0.0 internal direct 1.0 . . . . . . . . . 5106 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5106 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5106 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_CS_MTH1743 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_MTH1743 _Assigned_chem_shift_list.Entry_ID 5106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-COND_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $SAMPLE_1 . 5106 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 1 1 MET CA C 13 55.7 0.05 . 1 . . . . 4 . . . 5106 1 2 . 1 1 1 1 MET HA H 1 4.46 0.02 . 1 . . . . 4 . . . 5106 1 3 . 1 1 1 1 MET CB C 13 33.3 0.05 . 1 . . . . 4 . . . 5106 1 4 . 1 1 1 1 MET HB2 H 1 2.51 0.02 . 2 . . . . 4 . . . 5106 1 5 . 1 1 1 1 MET HB3 H 1 2.45 0.02 . 2 . . . . 4 . . . 5106 1 6 . 1 1 1 1 MET CG C 13 32.0 0.05 . 1 . . . . 4 . . . 5106 1 7 . 1 1 1 1 MET HG2 H 1 2.51 0.02 . 2 . . . . 4 . . . 5106 1 8 . 1 1 1 1 MET HG3 H 1 2.46 0.02 . 2 . . . . 4 . . . 5106 1 9 . 1 1 1 1 MET C C 13 175.6 0.05 . 1 . . . . 4 . . . 5106 1 10 . 1 1 2 2 VAL N N 15 122.4 0.05 . 1 . . . . 5 . . . 5106 1 11 . 1 1 2 2 VAL H H 1 8.29 0.02 . 1 . . . . 5 . . . 5106 1 12 . 1 1 2 2 VAL CA C 13 62.4 0.05 . 1 . . . . 5 . . . 5106 1 13 . 1 1 2 2 VAL HA H 1 4.12 0.02 . 1 . . . . 5 . . . 5106 1 14 . 1 1 2 2 VAL CB C 13 32.6 0.05 . 1 . . . . 5 . . . 5106 1 15 . 1 1 2 2 VAL HB H 1 1.91 0.02 . 1 . . . . 5 . . . 5106 1 16 . 1 1 2 2 VAL HG11 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 17 . 1 1 2 2 VAL HG12 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 18 . 1 1 2 2 VAL HG13 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 19 . 1 1 2 2 VAL HG21 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 20 . 1 1 2 2 VAL HG22 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 21 . 1 1 2 2 VAL HG23 H 1 0.93 0.02 . 1 . . . . 5 . . . 5106 1 22 . 1 1 2 2 VAL CG1 C 13 20.8 0.05 . 1 . . . . 5 . . . 5106 1 23 . 1 1 2 2 VAL CG2 C 13 21.0 0.05 . 1 . . . . 5 . . . 5106 1 24 . 1 1 2 2 VAL C C 13 175.7 0.05 . 1 . . . . 5 . . . 5106 1 25 . 1 1 3 3 ILE N N 15 125.0 0.05 . 1 . . . . 6 . . . 5106 1 26 . 1 1 3 3 ILE H H 1 8.24 0.02 . 1 . . . . 6 . . . 5106 1 27 . 1 1 3 3 ILE CA C 13 60.9 0.05 . 1 . . . . 6 . . . 5106 1 28 . 1 1 3 3 ILE HA H 1 4.21 0.02 . 1 . . . . 6 . . . 5106 1 29 . 1 1 3 3 ILE CB C 13 38.7 0.05 . 1 . . . . 6 . . . 5106 1 30 . 1 1 3 3 ILE HB H 1 1.86 0.02 . 1 . . . . 6 . . . 5106 1 31 . 1 1 3 3 ILE HG21 H 1 0.84 0.02 . 1 . . . . 6 . . . 5106 1 32 . 1 1 3 3 ILE HG22 H 1 0.84 0.02 . 1 . . . . 6 . . . 5106 1 33 . 1 1 3 3 ILE HG23 H 1 0.84 0.02 . 1 . . . . 6 . . . 5106 1 34 . 1 1 3 3 ILE CG2 C 13 17.1 0.05 . 1 . . . . 6 . . . 5106 1 35 . 1 1 3 3 ILE CG1 C 13 27.4 0.05 . 1 . . . . 6 . . . 5106 1 36 . 1 1 3 3 ILE HG12 H 1 1.51 0.02 . 2 . . . . 6 . . . 5106 1 37 . 1 1 3 3 ILE HG13 H 1 1.20 0.02 . 2 . . . . 6 . . . 5106 1 38 . 1 1 3 3 ILE HD11 H 1 0.86 0.02 . 1 . . . . 6 . . . 5106 1 39 . 1 1 3 3 ILE HD12 H 1 0.86 0.02 . 1 . . . . 6 . . . 5106 1 40 . 1 1 3 3 ILE HD13 H 1 0.86 0.02 . 1 . . . . 6 . . . 5106 1 41 . 1 1 3 3 ILE CD1 C 13 12.8 0.05 . 1 . . . . 6 . . . 5106 1 42 . 1 1 3 3 ILE C C 13 176.0 0.05 . 1 . . . . 6 . . . 5106 1 43 . 1 1 4 4 GLY N N 15 112.9 0.05 . 1 . . . . 7 . . . 5106 1 44 . 1 1 4 4 GLY H H 1 8.33 0.02 . 1 . . . . 7 . . . 5106 1 45 . 1 1 4 4 GLY CA C 13 45.3 0.05 . 1 . . . . 7 . . . 5106 1 46 . 1 1 4 4 GLY HA2 H 1 4.14 0.02 . 2 . . . . 7 . . . 5106 1 47 . 1 1 4 4 GLY HA3 H 1 4.02 0.02 . 2 . . . . 7 . . . 5106 1 48 . 1 1 4 4 GLY C C 13 172.8 0.05 . 1 . . . . 7 . . . 5106 1 49 . 1 1 5 5 MET N N 15 118.4 0.05 . 1 . . . . 8 . . . 5106 1 50 . 1 1 5 5 MET H H 1 8.54 0.02 . 1 . . . . 8 . . . 5106 1 51 . 1 1 5 5 MET CA C 13 54.8 0.05 . 1 . . . . 8 . . . 5106 1 52 . 1 1 5 5 MET HA H 1 4.82 0.02 . 1 . . . . 8 . . . 5106 1 53 . 1 1 5 5 MET CB C 13 35.5 0.05 . 1 . . . . 8 . . . 5106 1 54 . 1 1 5 5 MET HB2 H 1 2.19 0.02 . 2 . . . . 8 . . . 5106 1 55 . 1 1 5 5 MET HB3 H 1 1.96 0.02 . 2 . . . . 8 . . . 5106 1 56 . 1 1 5 5 MET CG C 13 31.5 0.05 . 1 . . . . 8 . . . 5106 1 57 . 1 1 5 5 MET HG2 H 1 2.53 0.02 . 2 . . . . 8 . . . 5106 1 58 . 1 1 5 5 MET HG3 H 1 2.38 0.02 . 2 . . . . 8 . . . 5106 1 59 . 1 1 5 5 MET HE1 H 1 1.91 0.02 . 1 . . . . 8 . . . 5106 1 60 . 1 1 5 5 MET HE2 H 1 1.91 0.02 . 1 . . . . 8 . . . 5106 1 61 . 1 1 5 5 MET HE3 H 1 1.91 0.02 . 1 . . . . 8 . . . 5106 1 62 . 1 1 5 5 MET CE C 13 18.2 0.05 . 1 . . . . 8 . . . 5106 1 63 . 1 1 5 5 MET C C 13 174.1 0.05 . 1 . . . . 8 . . . 5106 1 64 . 1 1 6 6 LYS N N 15 122.0 0.05 . 1 . . . . 9 . . . 5106 1 65 . 1 1 6 6 LYS H H 1 9.15 0.02 . 1 . . . . 9 . . . 5106 1 66 . 1 1 6 6 LYS CA C 13 55.1 0.05 . 1 . . . . 9 . . . 5106 1 67 . 1 1 6 6 LYS HA H 1 5.43 0.02 . 1 . . . . 9 . . . 5106 1 68 . 1 1 6 6 LYS CB C 13 36.1 0.05 . 1 . . . . 9 . . . 5106 1 69 . 1 1 6 6 LYS HB2 H 1 1.71 0.02 . 2 . . . . 9 . . . 5106 1 70 . 1 1 6 6 LYS HB3 H 1 1.61 0.02 . 2 . . . . 9 . . . 5106 1 71 . 1 1 6 6 LYS CG C 13 24.9 0.05 . 1 . . . . 9 . . . 5106 1 72 . 1 1 6 6 LYS HG2 H 1 1.39 0.02 . 2 . . . . 9 . . . 5106 1 73 . 1 1 6 6 LYS HG3 H 1 1.31 0.02 . 2 . . . . 9 . . . 5106 1 74 . 1 1 6 6 LYS CD C 13 29.6 0.05 . 1 . . . . 9 . . . 5106 1 75 . 1 1 6 6 LYS HD2 H 1 1.63 0.02 . 2 . . . . 9 . . . 5106 1 76 . 1 1 6 6 LYS HD3 H 1 1.57 0.02 . 2 . . . . 9 . . . 5106 1 77 . 1 1 6 6 LYS CE C 13 41.9 0.05 . 1 . . . . 9 . . . 5106 1 78 . 1 1 6 6 LYS HE2 H 1 2.91 0.02 . 1 . . . . 9 . . . 5106 1 79 . 1 1 6 6 LYS HE3 H 1 2.91 0.02 . 1 . . . . 9 . . . 5106 1 80 . 1 1 6 6 LYS C C 13 174.5 0.05 . 1 . . . . 9 . . . 5106 1 81 . 1 1 7 7 PHE N N 15 119.3 0.05 . 1 . . . . 10 . . . 5106 1 82 . 1 1 7 7 PHE H H 1 8.67 0.02 . 1 . . . . 10 . . . 5106 1 83 . 1 1 7 7 PHE CA C 13 55.7 0.05 . 1 . . . . 10 . . . 5106 1 84 . 1 1 7 7 PHE HA H 1 5.19 0.02 . 1 . . . . 10 . . . 5106 1 85 . 1 1 7 7 PHE CB C 13 40.1 0.05 . 1 . . . . 10 . . . 5106 1 86 . 1 1 7 7 PHE HB2 H 1 3.14 0.02 . 2 . . . . 10 . . . 5106 1 87 . 1 1 7 7 PHE HB3 H 1 3.08 0.02 . 2 . . . . 10 . . . 5106 1 88 . 1 1 7 7 PHE HD1 H 1 6.75 0.02 . 1 . . . . 10 . . . 5106 1 89 . 1 1 7 7 PHE HD2 H 1 6.75 0.02 . 1 . . . . 10 . . . 5106 1 90 . 1 1 7 7 PHE HE1 H 1 6.88 0.02 . 1 . . . . 10 . . . 5106 1 91 . 1 1 7 7 PHE HE2 H 1 6.88 0.02 . 1 . . . . 10 . . . 5106 1 92 . 1 1 7 7 PHE C C 13 172.4 0.05 . 1 . . . . 10 . . . 5106 1 93 . 1 1 8 8 THR N N 15 116.5 0.05 . 1 . . . . 11 . . . 5106 1 94 . 1 1 8 8 THR H H 1 8.44 0.02 . 1 . . . . 11 . . . 5106 1 95 . 1 1 8 8 THR CA C 13 62.2 0.05 . 1 . . . . 11 . . . 5106 1 96 . 1 1 8 8 THR HA H 1 5.07 0.02 . 1 . . . . 11 . . . 5106 1 97 . 1 1 8 8 THR CB C 13 70.8 0.05 . 1 . . . . 11 . . . 5106 1 98 . 1 1 8 8 THR HB H 1 4.05 0.02 . 1 . . . . 11 . . . 5106 1 99 . 1 1 8 8 THR HG21 H 1 1.14 0.02 . 1 . . . . 11 . . . 5106 1 100 . 1 1 8 8 THR HG22 H 1 1.14 0.02 . 1 . . . . 11 . . . 5106 1 101 . 1 1 8 8 THR HG23 H 1 1.14 0.02 . 1 . . . . 11 . . . 5106 1 102 . 1 1 8 8 THR CG2 C 13 21.2 0.05 . 1 . . . . 11 . . . 5106 1 103 . 1 1 8 8 THR C C 13 173.3 0.05 . 1 . . . . 11 . . . 5106 1 104 . 1 1 9 9 VAL N N 15 126.2 0.05 . 1 . . . . 12 . . . 5106 1 105 . 1 1 9 9 VAL H H 1 9.40 0.02 . 1 . . . . 12 . . . 5106 1 106 . 1 1 9 9 VAL CA C 13 60.7 0.05 . 1 . . . . 12 . . . 5106 1 107 . 1 1 9 9 VAL HA H 1 5.09 0.02 . 1 . . . . 12 . . . 5106 1 108 . 1 1 9 9 VAL CB C 13 34.1 0.05 . 1 . . . . 12 . . . 5106 1 109 . 1 1 9 9 VAL HB H 1 1.89 0.02 . 1 . . . . 12 . . . 5106 1 110 . 1 1 9 9 VAL HG11 H 1 0.96 0.02 . 2 . . . . 12 . . . 5106 1 111 . 1 1 9 9 VAL HG12 H 1 0.96 0.02 . 2 . . . . 12 . . . 5106 1 112 . 1 1 9 9 VAL HG13 H 1 0.96 0.02 . 2 . . . . 12 . . . 5106 1 113 . 1 1 9 9 VAL HG21 H 1 0.77 0.02 . 2 . . . . 12 . . . 5106 1 114 . 1 1 9 9 VAL HG22 H 1 0.77 0.02 . 2 . . . . 12 . . . 5106 1 115 . 1 1 9 9 VAL HG23 H 1 0.77 0.02 . 2 . . . . 12 . . . 5106 1 116 . 1 1 9 9 VAL CG1 C 13 22.0 0.05 . 1 . . . . 12 . . . 5106 1 117 . 1 1 9 9 VAL CG2 C 13 21.0 0.05 . 1 . . . . 12 . . . 5106 1 118 . 1 1 9 9 VAL C C 13 174.5 0.05 . 1 . . . . 12 . . . 5106 1 119 . 1 1 10 10 ILE N N 15 129.6 0.05 . 1 . . . . 13 . . . 5106 1 120 . 1 1 10 10 ILE H H 1 9.56 0.02 . 1 . . . . 13 . . . 5106 1 121 . 1 1 10 10 ILE CA C 13 61.4 0.05 . 1 . . . . 13 . . . 5106 1 122 . 1 1 10 10 ILE HA H 1 4.64 0.02 . 1 . . . . 13 . . . 5106 1 123 . 1 1 10 10 ILE CB C 13 39.7 0.05 . 1 . . . . 13 . . . 5106 1 124 . 1 1 10 10 ILE HB H 1 1.78 0.02 . 1 . . . . 13 . . . 5106 1 125 . 1 1 10 10 ILE HG21 H 1 0.95 0.02 . 1 . . . . 13 . . . 5106 1 126 . 1 1 10 10 ILE HG22 H 1 0.95 0.02 . 1 . . . . 13 . . . 5106 1 127 . 1 1 10 10 ILE HG23 H 1 0.95 0.02 . 1 . . . . 13 . . . 5106 1 128 . 1 1 10 10 ILE CG2 C 13 17.6 0.05 . 1 . . . . 13 . . . 5106 1 129 . 1 1 10 10 ILE CG1 C 13 28.0 0.05 . 1 . . . . 13 . . . 5106 1 130 . 1 1 10 10 ILE HG12 H 1 1.57 0.02 . 1 . . . . 13 . . . 5106 1 131 . 1 1 10 10 ILE HG13 H 1 1.57 0.02 . 1 . . . . 13 . . . 5106 1 132 . 1 1 10 10 ILE HD11 H 1 0.83 0.02 . 1 . . . . 13 . . . 5106 1 133 . 1 1 10 10 ILE HD12 H 1 0.83 0.02 . 1 . . . . 13 . . . 5106 1 134 . 1 1 10 10 ILE HD13 H 1 0.83 0.02 . 1 . . . . 13 . . . 5106 1 135 . 1 1 10 10 ILE CD1 C 13 13.6 0.05 . 1 . . . . 13 . . . 5106 1 136 . 1 1 10 10 ILE C C 13 175.2 0.05 . 1 . . . . 13 . . . 5106 1 137 . 1 1 11 11 THR N N 15 116.8 0.05 . 1 . . . . 14 . . . 5106 1 138 . 1 1 11 11 THR H H 1 8.43 0.02 . 1 . . . . 14 . . . 5106 1 139 . 1 1 11 11 THR CA C 13 59.2 0.05 . 1 . . . . 14 . . . 5106 1 140 . 1 1 11 11 THR HA H 1 5.16 0.02 . 1 . . . . 14 . . . 5106 1 141 . 1 1 11 11 THR CB C 13 71.9 0.05 . 1 . . . . 14 . . . 5106 1 142 . 1 1 11 11 THR HB H 1 4.66 0.02 . 1 . . . . 14 . . . 5106 1 143 . 1 1 11 11 THR HG21 H 1 1.12 0.02 . 1 . . . . 14 . . . 5106 1 144 . 1 1 11 11 THR HG22 H 1 1.12 0.02 . 1 . . . . 14 . . . 5106 1 145 . 1 1 11 11 THR HG23 H 1 1.12 0.02 . 1 . . . . 14 . . . 5106 1 146 . 1 1 11 11 THR CG2 C 13 21.1 0.05 . 1 . . . . 14 . . . 5106 1 147 . 1 1 11 11 THR C C 13 175.8 0.05 . 1 . . . . 14 . . . 5106 1 148 . 1 1 12 12 ASP N N 15 120.0 0.05 . 1 . . . . 15 . . . 5106 1 149 . 1 1 12 12 ASP H H 1 9.01 0.02 . 1 . . . . 15 . . . 5106 1 150 . 1 1 12 12 ASP CA C 13 56.9 0.05 . 1 . . . . 15 . . . 5106 1 151 . 1 1 12 12 ASP HA H 1 4.44 0.02 . 1 . . . . 15 . . . 5106 1 152 . 1 1 12 12 ASP CB C 13 40.9 0.05 . 1 . . . . 15 . . . 5106 1 153 . 1 1 12 12 ASP HB2 H 1 2.78 0.02 . 2 . . . . 15 . . . 5106 1 154 . 1 1 12 12 ASP HB3 H 1 2.67 0.02 . 2 . . . . 15 . . . 5106 1 155 . 1 1 12 12 ASP C C 13 176.6 0.05 . 1 . . . . 15 . . . 5106 1 156 . 1 1 13 13 ASP N N 15 115.3 0.05 . 1 . . . . 16 . . . 5106 1 157 . 1 1 13 13 ASP H H 1 8.09 0.02 . 1 . . . . 16 . . . 5106 1 158 . 1 1 13 13 ASP CA C 13 53.4 0.05 . 1 . . . . 16 . . . 5106 1 159 . 1 1 13 13 ASP HA H 1 4.73 0.02 . 1 . . . . 16 . . . 5106 1 160 . 1 1 13 13 ASP CB C 13 41.8 0.05 . 1 . . . . 16 . . . 5106 1 161 . 1 1 13 13 ASP HB2 H 1 2.72 0.02 . 2 . . . . 16 . . . 5106 1 162 . 1 1 13 13 ASP HB3 H 1 2.47 0.02 . 2 . . . . 16 . . . 5106 1 163 . 1 1 13 13 ASP C C 13 175.7 0.05 . 1 . . . . 16 . . . 5106 1 164 . 1 1 14 14 GLY N N 15 108.0 0.05 . 1 . . . . 17 . . . 5106 1 165 . 1 1 14 14 GLY H H 1 7.61 0.02 . 1 . . . . 17 . . . 5106 1 166 . 1 1 14 14 GLY CA C 13 44.9 0.05 . 1 . . . . 17 . . . 5106 1 167 . 1 1 14 14 GLY HA2 H 1 4.45 0.02 . 2 . . . . 17 . . . 5106 1 168 . 1 1 14 14 GLY HA3 H 1 3.86 0.02 . 2 . . . . 17 . . . 5106 1 169 . 1 1 14 14 GLY C C 13 171.8 0.05 . 1 . . . . 17 . . . 5106 1 170 . 1 1 15 15 LYS N N 15 120.6 0.05 . 1 . . . . 18 . . . 5106 1 171 . 1 1 15 15 LYS H H 1 8.43 0.02 . 1 . . . . 18 . . . 5106 1 172 . 1 1 15 15 LYS CA C 13 55.4 0.05 . 1 . . . . 18 . . . 5106 1 173 . 1 1 15 15 LYS HA H 1 5.08 0.02 . 1 . . . . 18 . . . 5106 1 174 . 1 1 15 15 LYS CB C 13 34.6 0.05 . 1 . . . . 18 . . . 5106 1 175 . 1 1 15 15 LYS HB2 H 1 1.74 0.02 . 2 . . . . 18 . . . 5106 1 176 . 1 1 15 15 LYS HB3 H 1 1.68 0.02 . 2 . . . . 18 . . . 5106 1 177 . 1 1 15 15 LYS CG C 13 24.9 0.05 . 1 . . . . 18 . . . 5106 1 178 . 1 1 15 15 LYS HG2 H 1 1.34 0.02 . 2 . . . . 18 . . . 5106 1 179 . 1 1 15 15 LYS HG3 H 1 1.21 0.02 . 2 . . . . 18 . . . 5106 1 180 . 1 1 15 15 LYS CD C 13 29.4 0.05 . 1 . . . . 18 . . . 5106 1 181 . 1 1 15 15 LYS HD2 H 1 1.60 0.02 . 2 . . . . 18 . . . 5106 1 182 . 1 1 15 15 LYS HD3 H 1 1.57 0.02 . 2 . . . . 18 . . . 5106 1 183 . 1 1 15 15 LYS CE C 13 41.9 0.05 . 1 . . . . 18 . . . 5106 1 184 . 1 1 15 15 LYS HE2 H 1 2.90 0.02 . 1 . . . . 18 . . . 5106 1 185 . 1 1 15 15 LYS HE3 H 1 2.90 0.02 . 1 . . . . 18 . . . 5106 1 186 . 1 1 15 15 LYS C C 13 175.6 0.05 . 1 . . . . 18 . . . 5106 1 187 . 1 1 16 16 LYS N N 15 125.7 0.05 . 1 . . . . 19 . . . 5106 1 188 . 1 1 16 16 LYS H H 1 9.16 0.02 . 1 . . . . 19 . . . 5106 1 189 . 1 1 16 16 LYS CA C 13 55.0 0.05 . 1 . . . . 19 . . . 5106 1 190 . 1 1 16 16 LYS HA H 1 4.62 0.02 . 1 . . . . 19 . . . 5106 1 191 . 1 1 16 16 LYS CB C 13 36.1 0.05 . 1 . . . . 19 . . . 5106 1 192 . 1 1 16 16 LYS HB2 H 1 1.71 0.02 . 2 . . . . 19 . . . 5106 1 193 . 1 1 16 16 LYS HB3 H 1 1.62 0.02 . 2 . . . . 19 . . . 5106 1 194 . 1 1 16 16 LYS CG C 13 25.1 0.05 . 1 . . . . 19 . . . 5106 1 195 . 1 1 16 16 LYS HG2 H 1 1.21 0.02 . 1 . . . . 19 . . . 5106 1 196 . 1 1 16 16 LYS HG3 H 1 1.21 0.02 . 1 . . . . 19 . . . 5106 1 197 . 1 1 16 16 LYS CD C 13 29.5 0.05 . 1 . . . . 19 . . . 5106 1 198 . 1 1 16 16 LYS CE C 13 42.1 0.05 . 1 . . . . 19 . . . 5106 1 199 . 1 1 16 16 LYS HE2 H 1 2.91 0.02 . 1 . . . . 19 . . . 5106 1 200 . 1 1 16 16 LYS HE3 H 1 2.91 0.02 . 1 . . . . 19 . . . 5106 1 201 . 1 1 16 16 LYS C C 13 174.0 0.05 . 1 . . . . 19 . . . 5106 1 202 . 1 1 17 17 ILE N N 15 123.8 0.05 . 1 . . . . 20 . . . 5106 1 203 . 1 1 17 17 ILE H H 1 8.42 0.02 . 1 . . . . 20 . . . 5106 1 204 . 1 1 17 17 ILE CA C 13 60.4 0.05 . 1 . . . . 20 . . . 5106 1 205 . 1 1 17 17 ILE HA H 1 4.62 0.02 . 1 . . . . 20 . . . 5106 1 206 . 1 1 17 17 ILE CB C 13 37.9 0.05 . 1 . . . . 20 . . . 5106 1 207 . 1 1 17 17 ILE HB H 1 1.72 0.02 . 1 . . . . 20 . . . 5106 1 208 . 1 1 17 17 ILE HG21 H 1 0.72 0.02 . 1 . . . . 20 . . . 5106 1 209 . 1 1 17 17 ILE HG22 H 1 0.72 0.02 . 1 . . . . 20 . . . 5106 1 210 . 1 1 17 17 ILE HG23 H 1 0.72 0.02 . 1 . . . . 20 . . . 5106 1 211 . 1 1 17 17 ILE CG2 C 13 17.5 0.05 . 1 . . . . 20 . . . 5106 1 212 . 1 1 17 17 ILE CG1 C 13 27.5 0.05 . 1 . . . . 20 . . . 5106 1 213 . 1 1 17 17 ILE HG12 H 1 1.43 0.02 . 2 . . . . 20 . . . 5106 1 214 . 1 1 17 17 ILE HG13 H 1 1.17 0.02 . 2 . . . . 20 . . . 5106 1 215 . 1 1 17 17 ILE HD11 H 1 0.79 0.02 . 1 . . . . 20 . . . 5106 1 216 . 1 1 17 17 ILE HD12 H 1 0.79 0.02 . 1 . . . . 20 . . . 5106 1 217 . 1 1 17 17 ILE HD13 H 1 0.79 0.02 . 1 . . . . 20 . . . 5106 1 218 . 1 1 17 17 ILE CD1 C 13 13.2 0.05 . 1 . . . . 20 . . . 5106 1 219 . 1 1 17 17 ILE C C 13 175.7 0.05 . 1 . . . . 20 . . . 5106 1 220 . 1 1 18 18 LEU N N 15 130.5 0.05 . 1 . . . . 21 . . . 5106 1 221 . 1 1 18 18 LEU H H 1 8.60 0.02 . 1 . . . . 21 . . . 5106 1 222 . 1 1 18 18 LEU CA C 13 53.5 0.05 . 1 . . . . 21 . . . 5106 1 223 . 1 1 18 18 LEU HA H 1 4.49 0.02 . 1 . . . . 21 . . . 5106 1 224 . 1 1 18 18 LEU CB C 13 44.5 0.05 . 1 . . . . 21 . . . 5106 1 225 . 1 1 18 18 LEU HB2 H 1 1.05 0.02 . 2 . . . . 21 . . . 5106 1 226 . 1 1 18 18 LEU HB3 H 1 0.39 0.02 . 2 . . . . 21 . . . 5106 1 227 . 1 1 18 18 LEU CG C 13 25.9 0.05 . 1 . . . . 21 . . . 5106 1 228 . 1 1 18 18 LEU HG H 1 1.70 0.02 . 1 . . . . 21 . . . 5106 1 229 . 1 1 18 18 LEU CD2 C 13 24.6 0.05 . 1 . . . . 21 . . . 5106 1 230 . 1 1 18 18 LEU HD11 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 231 . 1 1 18 18 LEU HD12 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 232 . 1 1 18 18 LEU HD13 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 233 . 1 1 18 18 LEU HD21 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 234 . 1 1 18 18 LEU HD22 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 235 . 1 1 18 18 LEU HD23 H 1 0.81 0.02 . 1 . . . . 21 . . . 5106 1 236 . 1 1 18 18 LEU C C 13 174.0 0.05 . 1 . . . . 21 . . . 5106 1 237 . 1 1 19 19 GLU N N 15 116.2 0.05 . 1 . . . . 22 . . . 5106 1 238 . 1 1 19 19 GLU H H 1 7.94 0.02 . 1 . . . . 22 . . . 5106 1 239 . 1 1 19 19 GLU CA C 13 53.8 0.05 . 1 . . . . 22 . . . 5106 1 240 . 1 1 19 19 GLU HA H 1 5.28 0.02 . 1 . . . . 22 . . . 5106 1 241 . 1 1 19 19 GLU CB C 13 33.4 0.05 . 1 . . . . 22 . . . 5106 1 242 . 1 1 19 19 GLU HB2 H 1 1.97 0.02 . 2 . . . . 22 . . . 5106 1 243 . 1 1 19 19 GLU HB3 H 1 1.80 0.02 . 2 . . . . 22 . . . 5106 1 244 . 1 1 19 19 GLU CG C 13 36.5 0.05 . 1 . . . . 22 . . . 5106 1 245 . 1 1 19 19 GLU HG2 H 1 2.09 0.02 . 1 . . . . 22 . . . 5106 1 246 . 1 1 19 19 GLU HG3 H 1 2.09 0.02 . 1 . . . . 22 . . . 5106 1 247 . 1 1 19 19 GLU C C 13 176.6 0.05 . 1 . . . . 22 . . . 5106 1 248 . 1 1 20 20 SER N N 15 114.7 0.05 . 1 . . . . 23 . . . 5106 1 249 . 1 1 20 20 SER H H 1 8.63 0.02 . 1 . . . . 23 . . . 5106 1 250 . 1 1 20 20 SER CA C 13 57.4 0.05 . 1 . . . . 23 . . . 5106 1 251 . 1 1 20 20 SER HA H 1 4.78 0.02 . 1 . . . . 23 . . . 5106 1 252 . 1 1 20 20 SER CB C 13 65.9 0.05 . 1 . . . . 23 . . . 5106 1 253 . 1 1 20 20 SER HB2 H 1 3.90 0.02 . 2 . . . . 23 . . . 5106 1 254 . 1 1 20 20 SER HB3 H 1 3.79 0.02 . 2 . . . . 23 . . . 5106 1 255 . 1 1 20 20 SER C C 13 174.1 0.05 . 1 . . . . 23 . . . 5106 1 256 . 1 1 21 21 GLY N N 15 109.4 0.05 . 1 . . . . 24 . . . 5106 1 257 . 1 1 21 21 GLY H H 1 8.34 0.02 . 1 . . . . 24 . . . 5106 1 258 . 1 1 21 21 GLY CA C 13 45.1 0.05 . 1 . . . . 24 . . . 5106 1 259 . 1 1 21 21 GLY HA2 H 1 4.47 0.02 . 2 . . . . 24 . . . 5106 1 260 . 1 1 21 21 GLY HA3 H 1 3.79 0.02 . 2 . . . . 24 . . . 5106 1 261 . 1 1 21 21 GLY C C 13 172.6 0.05 . 1 . . . . 24 . . . 5106 1 262 . 1 1 22 22 ALA N N 15 122.5 0.05 . 1 . . . . 25 . . . 5106 1 263 . 1 1 22 22 ALA H H 1 7.79 0.02 . 1 . . . . 25 . . . 5106 1 264 . 1 1 22 22 ALA CA C 13 49.9 0.05 . 1 . . . . 25 . . . 5106 1 265 . 1 1 22 22 ALA HA H 1 4.78 0.02 . 1 . . . . 25 . . . 5106 1 266 . 1 1 22 22 ALA HB1 H 1 1.37 0.02 . 1 . . . . 25 . . . 5106 1 267 . 1 1 22 22 ALA HB2 H 1 1.37 0.02 . 1 . . . . 25 . . . 5106 1 268 . 1 1 22 22 ALA HB3 H 1 1.37 0.02 . 1 . . . . 25 . . . 5106 1 269 . 1 1 22 22 ALA CB C 13 20.6 0.05 . 1 . . . . 25 . . . 5106 1 270 . 1 1 23 23 PRO CD C 13 50.9 0.05 . 1 . . . . 26 . . . 5106 1 271 . 1 1 23 23 PRO CA C 13 63.7 0.05 . 1 . . . . 26 . . . 5106 1 272 . 1 1 23 23 PRO HA H 1 4.40 0.02 . 1 . . . . 26 . . . 5106 1 273 . 1 1 23 23 PRO CB C 13 31.9 0.05 . 1 . . . . 26 . . . 5106 1 274 . 1 1 23 23 PRO HB2 H 1 2.10 0.02 . 2 . . . . 26 . . . 5106 1 275 . 1 1 23 23 PRO HB3 H 1 1.62 0.02 . 2 . . . . 26 . . . 5106 1 276 . 1 1 23 23 PRO CG C 13 28.1 0.05 . 1 . . . . 26 . . . 5106 1 277 . 1 1 23 23 PRO HG2 H 1 2.10 0.02 . 2 . . . . 26 . . . 5106 1 278 . 1 1 23 23 PRO HG3 H 1 1.92 0.02 . 2 . . . . 26 . . . 5106 1 279 . 1 1 23 23 PRO HD2 H 1 3.79 0.02 . 2 . . . . 26 . . . 5106 1 280 . 1 1 23 23 PRO HD3 H 1 3.58 0.02 . 2 . . . . 26 . . . 5106 1 281 . 1 1 23 23 PRO C C 13 176.5 0.05 . 1 . . . . 26 . . . 5106 1 282 . 1 1 24 24 ARG N N 15 120.2 0.05 . 1 . . . . 27 . . . 5106 1 283 . 1 1 24 24 ARG H H 1 7.81 0.02 . 1 . . . . 27 . . . 5106 1 284 . 1 1 24 24 ARG CA C 13 53.8 0.05 . 1 . . . . 27 . . . 5106 1 285 . 1 1 24 24 ARG HA H 1 4.68 0.02 . 1 . . . . 27 . . . 5106 1 286 . 1 1 24 24 ARG CB C 13 35.6 0.05 . 1 . . . . 27 . . . 5106 1 287 . 1 1 24 24 ARG HB2 H 1 1.71 0.02 . 1 . . . . 27 . . . 5106 1 288 . 1 1 24 24 ARG HB3 H 1 1.71 0.02 . 1 . . . . 27 . . . 5106 1 289 . 1 1 24 24 ARG CG C 13 25.5 0.05 . 1 . . . . 27 . . . 5106 1 290 . 1 1 24 24 ARG HG2 H 1 1.21 0.02 . 1 . . . . 27 . . . 5106 1 291 . 1 1 24 24 ARG HG3 H 1 1.21 0.02 . 1 . . . . 27 . . . 5106 1 292 . 1 1 24 24 ARG CD C 13 43.4 0.05 . 1 . . . . 27 . . . 5106 1 293 . 1 1 24 24 ARG HD2 H 1 3.31 0.02 . 2 . . . . 27 . . . 5106 1 294 . 1 1 24 24 ARG HD3 H 1 3.08 0.02 . 2 . . . . 27 . . . 5106 1 295 . 1 1 24 24 ARG C C 13 174.3 0.05 . 1 . . . . 27 . . . 5106 1 296 . 1 1 25 25 ARG N N 15 119.3 0.05 . 1 . . . . 28 . . . 5106 1 297 . 1 1 25 25 ARG H H 1 8.90 0.02 . 1 . . . . 28 . . . 5106 1 298 . 1 1 25 25 ARG CA C 13 54.2 0.05 . 1 . . . . 28 . . . 5106 1 299 . 1 1 25 25 ARG HA H 1 4.87 0.02 . 1 . . . . 28 . . . 5106 1 300 . 1 1 25 25 ARG CB C 13 32.2 0.05 . 1 . . . . 28 . . . 5106 1 301 . 1 1 25 25 ARG HB2 H 1 1.75 0.02 . 2 . . . . 28 . . . 5106 1 302 . 1 1 25 25 ARG HB3 H 1 1.59 0.02 . 2 . . . . 28 . . . 5106 1 303 . 1 1 25 25 ARG CG C 13 27.2 0.05 . 1 . . . . 28 . . . 5106 1 304 . 1 1 25 25 ARG HG2 H 1 1.72 0.02 . 2 . . . . 28 . . . 5106 1 305 . 1 1 25 25 ARG HG3 H 1 1.65 0.02 . 2 . . . . 28 . . . 5106 1 306 . 1 1 25 25 ARG CD C 13 43.6 0.05 . 1 . . . . 28 . . . 5106 1 307 . 1 1 25 25 ARG HD2 H 1 3.28 0.02 . 2 . . . . 28 . . . 5106 1 308 . 1 1 25 25 ARG HD3 H 1 3.06 0.02 . 2 . . . . 28 . . . 5106 1 309 . 1 1 25 25 ARG C C 13 178.3 0.05 . 1 . . . . 28 . . . 5106 1 310 . 1 1 26 26 ILE N N 15 123.5 0.05 . 1 . . . . 29 . . . 5106 1 311 . 1 1 26 26 ILE H H 1 8.63 0.02 . 1 . . . . 29 . . . 5106 1 312 . 1 1 26 26 ILE CA C 13 65.2 0.05 . 1 . . . . 29 . . . 5106 1 313 . 1 1 26 26 ILE HA H 1 3.41 0.02 . 1 . . . . 29 . . . 5106 1 314 . 1 1 26 26 ILE CB C 13 36.5 0.05 . 1 . . . . 29 . . . 5106 1 315 . 1 1 26 26 ILE HB H 1 2.12 0.02 . 1 . . . . 29 . . . 5106 1 316 . 1 1 26 26 ILE HG21 H 1 0.73 0.02 . 1 . . . . 29 . . . 5106 1 317 . 1 1 26 26 ILE HG22 H 1 0.73 0.02 . 1 . . . . 29 . . . 5106 1 318 . 1 1 26 26 ILE HG23 H 1 0.73 0.02 . 1 . . . . 29 . . . 5106 1 319 . 1 1 26 26 ILE CG2 C 13 17.7 0.05 . 1 . . . . 29 . . . 5106 1 320 . 1 1 26 26 ILE CG1 C 13 28.6 0.05 . 1 . . . . 29 . . . 5106 1 321 . 1 1 26 26 ILE HG12 H 1 1.60 0.02 . 2 . . . . 29 . . . 5106 1 322 . 1 1 26 26 ILE HG13 H 1 1.09 0.02 . 2 . . . . 29 . . . 5106 1 323 . 1 1 26 26 ILE HD11 H 1 0.64 0.02 . 1 . . . . 29 . . . 5106 1 324 . 1 1 26 26 ILE HD12 H 1 0.64 0.02 . 1 . . . . 29 . . . 5106 1 325 . 1 1 26 26 ILE HD13 H 1 0.64 0.02 . 1 . . . . 29 . . . 5106 1 326 . 1 1 26 26 ILE CD1 C 13 12.8 0.05 . 1 . . . . 29 . . . 5106 1 327 . 1 1 26 26 ILE C C 13 178.6 0.05 . 1 . . . . 29 . . . 5106 1 328 . 1 1 27 27 LYS N N 15 115.1 0.05 . 1 . . . . 30 . . . 5106 1 329 . 1 1 27 27 LYS H H 1 8.90 0.02 . 1 . . . . 30 . . . 5106 1 330 . 1 1 27 27 LYS CA C 13 59.3 0.05 . 1 . . . . 30 . . . 5106 1 331 . 1 1 27 27 LYS HA H 1 3.90 0.02 . 1 . . . . 30 . . . 5106 1 332 . 1 1 27 27 LYS CB C 13 31.7 0.05 . 1 . . . . 30 . . . 5106 1 333 . 1 1 27 27 LYS HB2 H 1 1.86 0.02 . 2 . . . . 30 . . . 5106 1 334 . 1 1 27 27 LYS HB3 H 1 1.65 0.02 . 2 . . . . 30 . . . 5106 1 335 . 1 1 27 27 LYS CG C 13 23.8 0.05 . 1 . . . . 30 . . . 5106 1 336 . 1 1 27 27 LYS HG2 H 1 1.28 0.02 . 1 . . . . 30 . . . 5106 1 337 . 1 1 27 27 LYS HG3 H 1 1.28 0.02 . 1 . . . . 30 . . . 5106 1 338 . 1 1 27 27 LYS CD C 13 29.4 0.05 . 1 . . . . 30 . . . 5106 1 339 . 1 1 27 27 LYS HD2 H 1 1.28 0.02 . 1 . . . . 30 . . . 5106 1 340 . 1 1 27 27 LYS HD3 H 1 1.28 0.02 . 1 . . . . 30 . . . 5106 1 341 . 1 1 27 27 LYS CE C 13 41.2 0.05 . 1 . . . . 30 . . . 5106 1 342 . 1 1 27 27 LYS HE2 H 1 2.86 0.02 . 1 . . . . 30 . . . 5106 1 343 . 1 1 27 27 LYS HE3 H 1 2.86 0.02 . 1 . . . . 30 . . . 5106 1 344 . 1 1 27 27 LYS C C 13 178.0 0.05 . 1 . . . . 30 . . . 5106 1 345 . 1 1 28 28 ASP N N 15 119.7 0.05 . 1 . . . . 31 . . . 5106 1 346 . 1 1 28 28 ASP H H 1 7.18 0.02 . 1 . . . . 31 . . . 5106 1 347 . 1 1 28 28 ASP CA C 13 56.9 0.05 . 1 . . . . 31 . . . 5106 1 348 . 1 1 28 28 ASP HA H 1 4.48 0.02 . 1 . . . . 31 . . . 5106 1 349 . 1 1 28 28 ASP CB C 13 41.3 0.05 . 1 . . . . 31 . . . 5106 1 350 . 1 1 28 28 ASP HB2 H 1 2.90 0.02 . 2 . . . . 31 . . . 5106 1 351 . 1 1 28 28 ASP HB3 H 1 2.86 0.02 . 2 . . . . 31 . . . 5106 1 352 . 1 1 28 28 ASP C C 13 178.6 0.05 . 1 . . . . 31 . . . 5106 1 353 . 1 1 29 29 VAL N N 15 122.1 0.05 . 1 . . . . 32 . . . 5106 1 354 . 1 1 29 29 VAL H H 1 7.41 0.02 . 1 . . . . 32 . . . 5106 1 355 . 1 1 29 29 VAL CA C 13 65.9 0.05 . 1 . . . . 32 . . . 5106 1 356 . 1 1 29 29 VAL HA H 1 3.73 0.02 . 1 . . . . 32 . . . 5106 1 357 . 1 1 29 29 VAL CB C 13 32.0 0.05 . 1 . . . . 32 . . . 5106 1 358 . 1 1 29 29 VAL HB H 1 2.06 0.02 . 1 . . . . 32 . . . 5106 1 359 . 1 1 29 29 VAL HG11 H 1 0.92 0.02 . 2 . . . . 32 . . . 5106 1 360 . 1 1 29 29 VAL HG12 H 1 0.92 0.02 . 2 . . . . 32 . . . 5106 1 361 . 1 1 29 29 VAL HG13 H 1 0.92 0.02 . 2 . . . . 32 . . . 5106 1 362 . 1 1 29 29 VAL HG21 H 1 0.93 0.02 . 2 . . . . 32 . . . 5106 1 363 . 1 1 29 29 VAL HG22 H 1 0.93 0.02 . 2 . . . . 32 . . . 5106 1 364 . 1 1 29 29 VAL HG23 H 1 0.93 0.02 . 2 . . . . 32 . . . 5106 1 365 . 1 1 29 29 VAL CG1 C 13 23.4 0.05 . 1 . . . . 32 . . . 5106 1 366 . 1 1 29 29 VAL CG2 C 13 21.0 0.05 . 1 . . . . 32 . . . 5106 1 367 . 1 1 29 29 VAL C C 13 177.6 0.05 . 1 . . . . 32 . . . 5106 1 368 . 1 1 30 30 LEU N N 15 118.0 0.05 . 1 . . . . 33 . . . 5106 1 369 . 1 1 30 30 LEU H H 1 8.38 0.02 . 1 . . . . 33 . . . 5106 1 370 . 1 1 30 30 LEU CA C 13 58.5 0.05 . 1 . . . . 33 . . . 5106 1 371 . 1 1 30 30 LEU HA H 1 3.91 0.02 . 1 . . . . 33 . . . 5106 1 372 . 1 1 30 30 LEU CB C 13 39.2 0.05 . 1 . . . . 33 . . . 5106 1 373 . 1 1 30 30 LEU HB2 H 1 1.81 0.02 . 2 . . . . 33 . . . 5106 1 374 . 1 1 30 30 LEU HB3 H 1 1.69 0.02 . 2 . . . . 33 . . . 5106 1 375 . 1 1 30 30 LEU CG C 13 25.9 0.05 . 1 . . . . 33 . . . 5106 1 376 . 1 1 30 30 LEU HG H 1 1.78 0.02 . 1 . . . . 33 . . . 5106 1 377 . 1 1 30 30 LEU HD11 H 1 0.68 0.02 . 2 . . . . 33 . . . 5106 1 378 . 1 1 30 30 LEU HD12 H 1 0.68 0.02 . 2 . . . . 33 . . . 5106 1 379 . 1 1 30 30 LEU HD13 H 1 0.68 0.02 . 2 . . . . 33 . . . 5106 1 380 . 1 1 30 30 LEU HD21 H 1 0.76 0.02 . 2 . . . . 33 . . . 5106 1 381 . 1 1 30 30 LEU HD22 H 1 0.76 0.02 . 2 . . . . 33 . . . 5106 1 382 . 1 1 30 30 LEU HD23 H 1 0.76 0.02 . 2 . . . . 33 . . . 5106 1 383 . 1 1 30 30 LEU CD1 C 13 22.7 0.05 . 1 . . . . 33 . . . 5106 1 384 . 1 1 30 30 LEU CD2 C 13 26.2 0.05 . 1 . . . . 33 . . . 5106 1 385 . 1 1 30 30 LEU C C 13 179.2 0.05 . 1 . . . . 33 . . . 5106 1 386 . 1 1 31 31 GLY N N 15 104.5 0.05 . 1 . . . . 34 . . . 5106 1 387 . 1 1 31 31 GLY H H 1 7.73 0.02 . 1 . . . . 34 . . . 5106 1 388 . 1 1 31 31 GLY CA C 13 47.1 0.05 . 1 . . . . 34 . . . 5106 1 389 . 1 1 31 31 GLY HA2 H 1 3.94 0.02 . 1 . . . . 34 . . . 5106 1 390 . 1 1 31 31 GLY HA3 H 1 3.94 0.02 . 1 . . . . 34 . . . 5106 1 391 . 1 1 31 31 GLY C C 13 177.5 0.05 . 1 . . . . 34 . . . 5106 1 392 . 1 1 32 32 GLU N N 15 124.3 0.05 . 1 . . . . 35 . . . 5106 1 393 . 1 1 32 32 GLU H H 1 7.75 0.02 . 1 . . . . 35 . . . 5106 1 394 . 1 1 32 32 GLU CA C 13 59.1 0.05 . 1 . . . . 35 . . . 5106 1 395 . 1 1 32 32 GLU HA H 1 4.13 0.02 . 1 . . . . 35 . . . 5106 1 396 . 1 1 32 32 GLU CB C 13 29.8 0.05 . 1 . . . . 35 . . . 5106 1 397 . 1 1 32 32 GLU HB2 H 1 2.25 0.02 . 2 . . . . 35 . . . 5106 1 398 . 1 1 32 32 GLU HB3 H 1 2.19 0.02 . 2 . . . . 35 . . . 5106 1 399 . 1 1 32 32 GLU CG C 13 36.1 0.05 . 1 . . . . 35 . . . 5106 1 400 . 1 1 32 32 GLU HG2 H 1 2.41 0.02 . 2 . . . . 35 . . . 5106 1 401 . 1 1 32 32 GLU HG3 H 1 2.25 0.02 . 2 . . . . 35 . . . 5106 1 402 . 1 1 32 32 GLU C C 13 178.3 0.05 . 1 . . . . 35 . . . 5106 1 403 . 1 1 33 33 LEU N N 15 117.3 0.05 . 1 . . . . 36 . . . 5106 1 404 . 1 1 33 33 LEU H H 1 7.75 0.02 . 1 . . . . 36 . . . 5106 1 405 . 1 1 33 33 LEU CA C 13 55.0 0.05 . 1 . . . . 36 . . . 5106 1 406 . 1 1 33 33 LEU HA H 1 4.27 0.02 . 1 . . . . 36 . . . 5106 1 407 . 1 1 33 33 LEU CB C 13 42.1 0.05 . 1 . . . . 36 . . . 5106 1 408 . 1 1 33 33 LEU HB2 H 1 1.70 0.02 . 1 . . . . 36 . . . 5106 1 409 . 1 1 33 33 LEU HB3 H 1 1.70 0.02 . 1 . . . . 36 . . . 5106 1 410 . 1 1 33 33 LEU CG C 13 26.7 0.05 . 1 . . . . 36 . . . 5106 1 411 . 1 1 33 33 LEU HG H 1 1.91 0.02 . 1 . . . . 36 . . . 5106 1 412 . 1 1 33 33 LEU HD11 H 1 0.85 0.02 . 2 . . . . 36 . . . 5106 1 413 . 1 1 33 33 LEU HD12 H 1 0.85 0.02 . 2 . . . . 36 . . . 5106 1 414 . 1 1 33 33 LEU HD13 H 1 0.85 0.02 . 2 . . . . 36 . . . 5106 1 415 . 1 1 33 33 LEU HD21 H 1 0.79 0.02 . 2 . . . . 36 . . . 5106 1 416 . 1 1 33 33 LEU HD22 H 1 0.79 0.02 . 2 . . . . 36 . . . 5106 1 417 . 1 1 33 33 LEU HD23 H 1 0.79 0.02 . 2 . . . . 36 . . . 5106 1 418 . 1 1 33 33 LEU CD1 C 13 22.2 0.05 . 1 . . . . 36 . . . 5106 1 419 . 1 1 33 33 LEU CD2 C 13 26.0 0.05 . 1 . . . . 36 . . . 5106 1 420 . 1 1 33 33 LEU C C 13 175.2 0.05 . 1 . . . . 36 . . . 5106 1 421 . 1 1 34 34 GLU N N 15 115.5 0.05 . 1 . . . . 37 . . . 5106 1 422 . 1 1 34 34 GLU H H 1 7.78 0.02 . 1 . . . . 37 . . . 5106 1 423 . 1 1 34 34 GLU CA C 13 57.2 0.05 . 1 . . . . 37 . . . 5106 1 424 . 1 1 34 34 GLU HA H 1 3.83 0.02 . 1 . . . . 37 . . . 5106 1 425 . 1 1 34 34 GLU CB C 13 26.7 0.05 . 1 . . . . 37 . . . 5106 1 426 . 1 1 34 34 GLU HB2 H 1 2.29 0.02 . 2 . . . . 37 . . . 5106 1 427 . 1 1 34 34 GLU HB3 H 1 2.15 0.02 . 2 . . . . 37 . . . 5106 1 428 . 1 1 34 34 GLU CG C 13 36.8 0.05 . 1 . . . . 37 . . . 5106 1 429 . 1 1 34 34 GLU HG2 H 1 2.15 0.02 . 1 . . . . 37 . . . 5106 1 430 . 1 1 34 34 GLU HG3 H 1 2.15 0.02 . 1 . . . . 37 . . . 5106 1 431 . 1 1 34 34 GLU C C 13 175.3 0.05 . 1 . . . . 37 . . . 5106 1 432 . 1 1 35 35 ILE N N 15 121.3 0.05 . 1 . . . . 38 . . . 5106 1 433 . 1 1 35 35 ILE H H 1 8.01 0.02 . 1 . . . . 38 . . . 5106 1 434 . 1 1 35 35 ILE CA C 13 58.3 0.05 . 1 . . . . 38 . . . 5106 1 435 . 1 1 35 35 ILE HA H 1 4.41 0.02 . 1 . . . . 38 . . . 5106 1 436 . 1 1 35 35 ILE CB C 13 40.3 0.05 . 1 . . . . 38 . . . 5106 1 437 . 1 1 35 35 ILE HB H 1 1.56 0.02 . 1 . . . . 38 . . . 5106 1 438 . 1 1 35 35 ILE HG21 H 1 0.68 0.02 . 1 . . . . 38 . . . 5106 1 439 . 1 1 35 35 ILE HG22 H 1 0.68 0.02 . 1 . . . . 38 . . . 5106 1 440 . 1 1 35 35 ILE HG23 H 1 0.68 0.02 . 1 . . . . 38 . . . 5106 1 441 . 1 1 35 35 ILE CG2 C 13 18.0 0.05 . 1 . . . . 38 . . . 5106 1 442 . 1 1 35 35 ILE CG1 C 13 27.1 0.05 . 1 . . . . 38 . . . 5106 1 443 . 1 1 35 35 ILE HG12 H 1 1.56 0.02 . 2 . . . . 38 . . . 5106 1 444 . 1 1 35 35 ILE HG13 H 1 0.96 0.02 . 2 . . . . 38 . . . 5106 1 445 . 1 1 35 35 ILE HD11 H 1 0.83 0.02 . 1 . . . . 38 . . . 5106 1 446 . 1 1 35 35 ILE HD12 H 1 0.83 0.02 . 1 . . . . 38 . . . 5106 1 447 . 1 1 35 35 ILE HD13 H 1 0.83 0.02 . 1 . . . . 38 . . . 5106 1 448 . 1 1 35 35 ILE CD1 C 13 14.3 0.05 . 1 . . . . 38 . . . 5106 1 449 . 1 1 36 36 PRO CD C 13 51.3 0.05 . 1 . . . . 39 . . . 5106 1 450 . 1 1 36 36 PRO CA C 13 62.4 0.05 . 1 . . . . 39 . . . 5106 1 451 . 1 1 36 36 PRO HA H 1 4.47 0.02 . 1 . . . . 39 . . . 5106 1 452 . 1 1 36 36 PRO CB C 13 31.6 0.05 . 1 . . . . 39 . . . 5106 1 453 . 1 1 36 36 PRO HB2 H 1 2.38 0.02 . 2 . . . . 39 . . . 5106 1 454 . 1 1 36 36 PRO HB3 H 1 2.00 0.02 . 2 . . . . 39 . . . 5106 1 455 . 1 1 36 36 PRO CG C 13 27.7 0.05 . 1 . . . . 39 . . . 5106 1 456 . 1 1 36 36 PRO HG2 H 1 2.17 0.02 . 2 . . . . 39 . . . 5106 1 457 . 1 1 36 36 PRO HG3 H 1 1.96 0.02 . 2 . . . . 39 . . . 5106 1 458 . 1 1 36 36 PRO HD2 H 1 4.06 0.02 . 2 . . . . 39 . . . 5106 1 459 . 1 1 36 36 PRO HD3 H 1 3.56 0.02 . 2 . . . . 39 . . . 5106 1 460 . 1 1 36 36 PRO C C 13 179.2 0.05 . 1 . . . . 39 . . . 5106 1 461 . 1 1 37 37 ILE N N 15 127.5 0.05 . 1 . . . . 40 . . . 5106 1 462 . 1 1 37 37 ILE H H 1 8.35 0.02 . 1 . . . . 40 . . . 5106 1 463 . 1 1 37 37 ILE CA C 13 63.7 0.05 . 1 . . . . 40 . . . 5106 1 464 . 1 1 37 37 ILE HA H 1 3.75 0.02 . 1 . . . . 40 . . . 5106 1 465 . 1 1 37 37 ILE CB C 13 38.6 0.05 . 1 . . . . 40 . . . 5106 1 466 . 1 1 37 37 ILE HB H 1 1.88 0.02 . 1 . . . . 40 . . . 5106 1 467 . 1 1 37 37 ILE HG21 H 1 0.98 0.02 . 1 . . . . 40 . . . 5106 1 468 . 1 1 37 37 ILE HG22 H 1 0.98 0.02 . 1 . . . . 40 . . . 5106 1 469 . 1 1 37 37 ILE HG23 H 1 0.98 0.02 . 1 . . . . 40 . . . 5106 1 470 . 1 1 37 37 ILE CG2 C 13 17.9 0.05 . 1 . . . . 40 . . . 5106 1 471 . 1 1 37 37 ILE CG1 C 13 28.6 0.05 . 1 . . . . 40 . . . 5106 1 472 . 1 1 37 37 ILE HG12 H 1 1.45 0.02 . 2 . . . . 40 . . . 5106 1 473 . 1 1 37 37 ILE HG13 H 1 1.32 0.02 . 2 . . . . 40 . . . 5106 1 474 . 1 1 37 37 ILE HD11 H 1 0.90 0.02 . 1 . . . . 40 . . . 5106 1 475 . 1 1 37 37 ILE HD12 H 1 0.90 0.02 . 1 . . . . 40 . . . 5106 1 476 . 1 1 37 37 ILE HD13 H 1 0.90 0.02 . 1 . . . . 40 . . . 5106 1 477 . 1 1 37 37 ILE CD1 C 13 14.5 0.05 . 1 . . . . 40 . . . 5106 1 478 . 1 1 37 37 ILE C C 13 176.1 0.05 . 1 . . . . 40 . . . 5106 1 479 . 1 1 38 38 GLU N N 15 118.5 0.05 . 1 . . . . 41 . . . 5106 1 480 . 1 1 38 38 GLU H H 1 9.37 0.02 . 1 . . . . 41 . . . 5106 1 481 . 1 1 38 38 GLU CA C 13 58.4 0.05 . 1 . . . . 41 . . . 5106 1 482 . 1 1 38 38 GLU HA H 1 4.33 0.02 . 1 . . . . 41 . . . 5106 1 483 . 1 1 38 38 GLU CB C 13 28.5 0.05 . 1 . . . . 41 . . . 5106 1 484 . 1 1 38 38 GLU HB2 H 1 2.12 0.02 . 2 . . . . 41 . . . 5106 1 485 . 1 1 38 38 GLU HB3 H 1 2.06 0.02 . 2 . . . . 41 . . . 5106 1 486 . 1 1 38 38 GLU CG C 13 36.4 0.05 . 1 . . . . 41 . . . 5106 1 487 . 1 1 38 38 GLU HG2 H 1 2.35 0.02 . 2 . . . . 41 . . . 5106 1 488 . 1 1 38 38 GLU HG3 H 1 2.29 0.02 . 2 . . . . 41 . . . 5106 1 489 . 1 1 38 38 GLU C C 13 177.6 0.05 . 1 . . . . 41 . . . 5106 1 490 . 1 1 39 39 THR N N 15 107.4 0.05 . 1 . . . . 42 . . . 5106 1 491 . 1 1 39 39 THR H H 1 7.81 0.02 . 1 . . . . 42 . . . 5106 1 492 . 1 1 39 39 THR CA C 13 61.6 0.05 . 1 . . . . 42 . . . 5106 1 493 . 1 1 39 39 THR HA H 1 4.52 0.02 . 1 . . . . 42 . . . 5106 1 494 . 1 1 39 39 THR CB C 13 70.3 0.05 . 1 . . . . 42 . . . 5106 1 495 . 1 1 39 39 THR HB H 1 4.58 0.02 . 1 . . . . 42 . . . 5106 1 496 . 1 1 39 39 THR HG21 H 1 1.22 0.02 . 1 . . . . 42 . . . 5106 1 497 . 1 1 39 39 THR HG22 H 1 1.22 0.02 . 1 . . . . 42 . . . 5106 1 498 . 1 1 39 39 THR HG23 H 1 1.22 0.02 . 1 . . . . 42 . . . 5106 1 499 . 1 1 39 39 THR CG2 C 13 22.1 0.05 . 1 . . . . 42 . . . 5106 1 500 . 1 1 39 39 THR C C 13 174.0 0.05 . 1 . . . . 42 . . . 5106 1 501 . 1 1 40 40 VAL N N 15 112.0 0.05 . 1 . . . . 43 . . . 5106 1 502 . 1 1 40 40 VAL H H 1 7.23 0.02 . 1 . . . . 43 . . . 5106 1 503 . 1 1 40 40 VAL CA C 13 59.1 0.05 . 1 . . . . 43 . . . 5106 1 504 . 1 1 40 40 VAL HA H 1 5.42 0.02 . 1 . . . . 43 . . . 5106 1 505 . 1 1 40 40 VAL CB C 13 36.4 0.05 . 1 . . . . 43 . . . 5106 1 506 . 1 1 40 40 VAL HB H 1 1.97 0.02 . 1 . . . . 43 . . . 5106 1 507 . 1 1 40 40 VAL HG11 H 1 0.67 0.02 . 2 . . . . 43 . . . 5106 1 508 . 1 1 40 40 VAL HG12 H 1 0.67 0.02 . 2 . . . . 43 . . . 5106 1 509 . 1 1 40 40 VAL HG13 H 1 0.67 0.02 . 2 . . . . 43 . . . 5106 1 510 . 1 1 40 40 VAL HG21 H 1 0.65 0.02 . 2 . . . . 43 . . . 5106 1 511 . 1 1 40 40 VAL HG22 H 1 0.65 0.02 . 2 . . . . 43 . . . 5106 1 512 . 1 1 40 40 VAL HG23 H 1 0.65 0.02 . 2 . . . . 43 . . . 5106 1 513 . 1 1 40 40 VAL CG1 C 13 21.7 0.05 . 1 . . . . 43 . . . 5106 1 514 . 1 1 40 40 VAL CG2 C 13 18.0 0.05 . 1 . . . . 43 . . . 5106 1 515 . 1 1 40 40 VAL C C 13 175.2 0.05 . 1 . . . . 43 . . . 5106 1 516 . 1 1 41 41 VAL N N 15 120.4 0.05 . 1 . . . . 44 . . . 5106 1 517 . 1 1 41 41 VAL H H 1 9.08 0.02 . 1 . . . . 44 . . . 5106 1 518 . 1 1 41 41 VAL CA C 13 61.5 0.05 . 1 . . . . 44 . . . 5106 1 519 . 1 1 41 41 VAL HA H 1 4.23 0.02 . 1 . . . . 44 . . . 5106 1 520 . 1 1 41 41 VAL CB C 13 34.6 0.05 . 1 . . . . 44 . . . 5106 1 521 . 1 1 41 41 VAL HB H 1 1.89 0.02 . 1 . . . . 44 . . . 5106 1 522 . 1 1 41 41 VAL HG11 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 523 . 1 1 41 41 VAL HG12 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 524 . 1 1 41 41 VAL HG13 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 525 . 1 1 41 41 VAL HG21 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 526 . 1 1 41 41 VAL HG22 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 527 . 1 1 41 41 VAL HG23 H 1 0.90 0.02 . 1 . . . . 44 . . . 5106 1 528 . 1 1 41 41 VAL CG1 C 13 21.3 0.05 . 1 . . . . 44 . . . 5106 1 529 . 1 1 41 41 VAL CG2 C 13 21.0 0.05 . 1 . . . . 44 . . . 5106 1 530 . 1 1 41 41 VAL C C 13 174.0 0.05 . 1 . . . . 44 . . . 5106 1 531 . 1 1 42 42 VAL N N 15 123.4 0.05 . 1 . . . . 45 . . . 5106 1 532 . 1 1 42 42 VAL H H 1 8.82 0.02 . 1 . . . . 45 . . . 5106 1 533 . 1 1 42 42 VAL CA C 13 60.0 0.05 . 1 . . . . 45 . . . 5106 1 534 . 1 1 42 42 VAL HA H 1 5.12 0.02 . 1 . . . . 45 . . . 5106 1 535 . 1 1 42 42 VAL CB C 13 34.3 0.05 . 1 . . . . 45 . . . 5106 1 536 . 1 1 42 42 VAL HB H 1 1.89 0.02 . 1 . . . . 45 . . . 5106 1 537 . 1 1 42 42 VAL HG11 H 1 0.79 0.02 . 2 . . . . 45 . . . 5106 1 538 . 1 1 42 42 VAL HG12 H 1 0.79 0.02 . 2 . . . . 45 . . . 5106 1 539 . 1 1 42 42 VAL HG13 H 1 0.79 0.02 . 2 . . . . 45 . . . 5106 1 540 . 1 1 42 42 VAL HG21 H 1 0.80 0.02 . 2 . . . . 45 . . . 5106 1 541 . 1 1 42 42 VAL HG22 H 1 0.80 0.02 . 2 . . . . 45 . . . 5106 1 542 . 1 1 42 42 VAL HG23 H 1 0.80 0.02 . 2 . . . . 45 . . . 5106 1 543 . 1 1 42 42 VAL CG1 C 13 22.9 0.05 . 1 . . . . 45 . . . 5106 1 544 . 1 1 42 42 VAL CG2 C 13 21.6 0.05 . 1 . . . . 45 . . . 5106 1 545 . 1 1 42 42 VAL C C 13 174.7 0.05 . 1 . . . . 45 . . . 5106 1 546 . 1 1 43 43 LYS N N 15 121.7 0.05 . 1 . . . . 46 . . . 5106 1 547 . 1 1 43 43 LYS H H 1 8.92 0.02 . 1 . . . . 46 . . . 5106 1 548 . 1 1 43 43 LYS CA C 13 53.8 0.05 . 1 . . . . 46 . . . 5106 1 549 . 1 1 43 43 LYS HA H 1 5.18 0.02 . 1 . . . . 46 . . . 5106 1 550 . 1 1 43 43 LYS CB C 13 36.9 0.05 . 1 . . . . 46 . . . 5106 1 551 . 1 1 43 43 LYS HB2 H 1 1.64 0.02 . 2 . . . . 46 . . . 5106 1 552 . 1 1 43 43 LYS HB3 H 1 1.25 0.02 . 2 . . . . 46 . . . 5106 1 553 . 1 1 43 43 LYS CG C 13 26.0 0.05 . 1 . . . . 46 . . . 5106 1 554 . 1 1 43 43 LYS HG2 H 1 1.21 0.02 . 2 . . . . 46 . . . 5106 1 555 . 1 1 43 43 LYS HG3 H 1 0.95 0.02 . 2 . . . . 46 . . . 5106 1 556 . 1 1 43 43 LYS CD C 13 30.0 0.05 . 1 . . . . 46 . . . 5106 1 557 . 1 1 43 43 LYS HD2 H 1 1.49 0.02 . 2 . . . . 46 . . . 5106 1 558 . 1 1 43 43 LYS HD3 H 1 1.38 0.02 . 2 . . . . 46 . . . 5106 1 559 . 1 1 43 43 LYS CE C 13 42.0 0.05 . 1 . . . . 46 . . . 5106 1 560 . 1 1 43 43 LYS HE2 H 1 2.65 0.02 . 1 . . . . 46 . . . 5106 1 561 . 1 1 43 43 LYS HE3 H 1 2.65 0.02 . 1 . . . . 46 . . . 5106 1 562 . 1 1 43 43 LYS C C 13 175.6 0.05 . 1 . . . . 46 . . . 5106 1 563 . 1 1 44 44 LYS N N 15 122.3 0.05 . 1 . . . . 47 . . . 5106 1 564 . 1 1 44 44 LYS H H 1 9.24 0.02 . 1 . . . . 47 . . . 5106 1 565 . 1 1 44 44 LYS CA C 13 54.4 0.05 . 1 . . . . 47 . . . 5106 1 566 . 1 1 44 44 LYS HA H 1 5.19 0.02 . 1 . . . . 47 . . . 5106 1 567 . 1 1 44 44 LYS CB C 13 36.1 0.05 . 1 . . . . 47 . . . 5106 1 568 . 1 1 44 44 LYS HB2 H 1 1.87 0.02 . 2 . . . . 47 . . . 5106 1 569 . 1 1 44 44 LYS HB3 H 1 1.23 0.02 . 2 . . . . 47 . . . 5106 1 570 . 1 1 44 44 LYS CG C 13 25.7 0.05 . 1 . . . . 47 . . . 5106 1 571 . 1 1 44 44 LYS HG2 H 1 1.28 0.02 . 2 . . . . 47 . . . 5106 1 572 . 1 1 44 44 LYS HG3 H 1 1.10 0.02 . 2 . . . . 47 . . . 5106 1 573 . 1 1 44 44 LYS CD C 13 29.3 0.05 . 1 . . . . 47 . . . 5106 1 574 . 1 1 44 44 LYS HD2 H 1 2.02 0.02 . 2 . . . . 47 . . . 5106 1 575 . 1 1 44 44 LYS HD3 H 1 1.42 0.02 . 2 . . . . 47 . . . 5106 1 576 . 1 1 44 44 LYS HE2 H 1 3.05 0.02 . 1 . . . . 47 . . . 5106 1 577 . 1 1 44 44 LYS HE3 H 1 3.05 0.02 . 1 . . . . 47 . . . 5106 1 578 . 1 1 44 44 LYS C C 13 176.0 0.05 . 1 . . . . 47 . . . 5106 1 579 . 1 1 45 45 ASN N N 15 129.6 0.05 . 1 . . . . 48 . . . 5106 1 580 . 1 1 45 45 ASN H H 1 9.98 0.02 . 1 . . . . 48 . . . 5106 1 581 . 1 1 45 45 ASN CA C 13 54.3 0.05 . 1 . . . . 48 . . . 5106 1 582 . 1 1 45 45 ASN HA H 1 4.49 0.02 . 1 . . . . 48 . . . 5106 1 583 . 1 1 45 45 ASN CB C 13 37.2 0.05 . 1 . . . . 48 . . . 5106 1 584 . 1 1 45 45 ASN HB2 H 1 3.03 0.02 . 1 . . . . 48 . . . 5106 1 585 . 1 1 45 45 ASN HB3 H 1 3.03 0.02 . 1 . . . . 48 . . . 5106 1 586 . 1 1 45 45 ASN ND2 N 15 116.6 0.05 . 1 . . . . 48 . . . 5106 1 587 . 1 1 45 45 ASN HD21 H 1 7.81 0.02 . 2 . . . . 48 . . . 5106 1 588 . 1 1 45 45 ASN HD22 H 1 7.57 0.02 . 2 . . . . 48 . . . 5106 1 589 . 1 1 45 45 ASN C C 13 175.8 0.05 . 1 . . . . 48 . . . 5106 1 590 . 1 1 46 46 GLY N N 15 103.2 0.05 . 1 . . . . 49 . . . 5106 1 591 . 1 1 46 46 GLY H H 1 9.34 0.02 . 1 . . . . 49 . . . 5106 1 592 . 1 1 46 46 GLY CA C 13 45.2 0.05 . 1 . . . . 49 . . . 5106 1 593 . 1 1 46 46 GLY HA2 H 1 4.30 0.02 . 2 . . . . 49 . . . 5106 1 594 . 1 1 46 46 GLY HA3 H 1 3.65 0.02 . 2 . . . . 49 . . . 5106 1 595 . 1 1 46 46 GLY C C 13 173.6 0.05 . 1 . . . . 49 . . . 5106 1 596 . 1 1 47 47 GLN N N 15 119.7 0.05 . 1 . . . . 50 . . . 5106 1 597 . 1 1 47 47 GLN H H 1 7.69 0.02 . 1 . . . . 50 . . . 5106 1 598 . 1 1 47 47 GLN CA C 13 53.5 0.05 . 1 . . . . 50 . . . 5106 1 599 . 1 1 47 47 GLN HA H 1 4.77 0.02 . 1 . . . . 50 . . . 5106 1 600 . 1 1 47 47 GLN CB C 13 31.3 0.05 . 1 . . . . 50 . . . 5106 1 601 . 1 1 47 47 GLN HB2 H 1 2.14 0.02 . 2 . . . . 50 . . . 5106 1 602 . 1 1 47 47 GLN HB3 H 1 1.97 0.02 . 2 . . . . 50 . . . 5106 1 603 . 1 1 47 47 GLN CG C 13 33.3 0.05 . 1 . . . . 50 . . . 5106 1 604 . 1 1 47 47 GLN HG2 H 1 2.39 0.02 . 1 . . . . 50 . . . 5106 1 605 . 1 1 47 47 GLN HG3 H 1 2.39 0.02 . 1 . . . . 50 . . . 5106 1 606 . 1 1 47 47 GLN C C 13 175.0 0.05 . 1 . . . . 50 . . . 5106 1 607 . 1 1 48 48 ILE N N 15 125.8 0.05 . 1 . . . . 51 . . . 5106 1 608 . 1 1 48 48 ILE H H 1 8.79 0.02 . 1 . . . . 51 . . . 5106 1 609 . 1 1 48 48 ILE CA C 13 63.0 0.05 . 1 . . . . 51 . . . 5106 1 610 . 1 1 48 48 ILE HA H 1 4.38 0.02 . 1 . . . . 51 . . . 5106 1 611 . 1 1 48 48 ILE CB C 13 37.4 0.05 . 1 . . . . 51 . . . 5106 1 612 . 1 1 48 48 ILE HB H 1 1.77 0.02 . 1 . . . . 51 . . . 5106 1 613 . 1 1 48 48 ILE HG21 H 1 0.94 0.02 . 1 . . . . 51 . . . 5106 1 614 . 1 1 48 48 ILE HG22 H 1 0.94 0.02 . 1 . . . . 51 . . . 5106 1 615 . 1 1 48 48 ILE HG23 H 1 0.94 0.02 . 1 . . . . 51 . . . 5106 1 616 . 1 1 48 48 ILE CG2 C 13 17.2 0.05 . 1 . . . . 51 . . . 5106 1 617 . 1 1 48 48 ILE CG1 C 13 28.7 0.05 . 1 . . . . 51 . . . 5106 1 618 . 1 1 48 48 ILE HG12 H 1 1.66 0.02 . 2 . . . . 51 . . . 5106 1 619 . 1 1 48 48 ILE HG13 H 1 1.00 0.02 . 2 . . . . 51 . . . 5106 1 620 . 1 1 48 48 ILE HD11 H 1 0.86 0.02 . 1 . . . . 51 . . . 5106 1 621 . 1 1 48 48 ILE HD12 H 1 0.86 0.02 . 1 . . . . 51 . . . 5106 1 622 . 1 1 48 48 ILE HD13 H 1 0.86 0.02 . 1 . . . . 51 . . . 5106 1 623 . 1 1 48 48 ILE CD1 C 13 12.6 0.05 . 1 . . . . 51 . . . 5106 1 624 . 1 1 48 48 ILE C C 13 176.5 0.05 . 1 . . . . 51 . . . 5106 1 625 . 1 1 49 49 VAL N N 15 121.9 0.05 . 1 . . . . 52 . . . 5106 1 626 . 1 1 49 49 VAL H H 1 8.29 0.02 . 1 . . . . 52 . . . 5106 1 627 . 1 1 49 49 VAL CA C 13 58.9 0.05 . 1 . . . . 52 . . . 5106 1 628 . 1 1 49 49 VAL HA H 1 4.86 0.02 . 1 . . . . 52 . . . 5106 1 629 . 1 1 49 49 VAL CB C 13 35.7 0.05 . 1 . . . . 52 . . . 5106 1 630 . 1 1 49 49 VAL HB H 1 2.27 0.02 . 1 . . . . 52 . . . 5106 1 631 . 1 1 49 49 VAL HG11 H 1 0.98 0.02 . 2 . . . . 52 . . . 5106 1 632 . 1 1 49 49 VAL HG12 H 1 0.98 0.02 . 2 . . . . 52 . . . 5106 1 633 . 1 1 49 49 VAL HG13 H 1 0.98 0.02 . 2 . . . . 52 . . . 5106 1 634 . 1 1 49 49 VAL HG21 H 1 0.66 0.02 . 2 . . . . 52 . . . 5106 1 635 . 1 1 49 49 VAL HG22 H 1 0.66 0.02 . 2 . . . . 52 . . . 5106 1 636 . 1 1 49 49 VAL HG23 H 1 0.66 0.02 . 2 . . . . 52 . . . 5106 1 637 . 1 1 49 49 VAL CG1 C 13 22.5 0.05 . 1 . . . . 52 . . . 5106 1 638 . 1 1 49 49 VAL CG2 C 13 19.5 0.05 . 1 . . . . 52 . . . 5106 1 639 . 1 1 50 50 ILE N N 15 114.6 0.05 . 1 . . . . 53 . . . 5106 1 640 . 1 1 50 50 ILE H H 1 8.02 0.02 . 1 . . . . 53 . . . 5106 1 641 . 1 1 50 50 ILE CA C 13 60.5 0.05 . 1 . . . . 53 . . . 5106 1 642 . 1 1 50 50 ILE HA H 1 4.61 0.02 . 1 . . . . 53 . . . 5106 1 643 . 1 1 50 50 ILE CB C 13 39.5 0.05 . 1 . . . . 53 . . . 5106 1 644 . 1 1 50 50 ILE HB H 1 2.23 0.02 . 1 . . . . 53 . . . 5106 1 645 . 1 1 50 50 ILE HG21 H 1 1.03 0.02 . 1 . . . . 53 . . . 5106 1 646 . 1 1 50 50 ILE HG22 H 1 1.03 0.02 . 1 . . . . 53 . . . 5106 1 647 . 1 1 50 50 ILE HG23 H 1 1.03 0.02 . 1 . . . . 53 . . . 5106 1 648 . 1 1 50 50 ILE CG2 C 13 18.3 0.05 . 1 . . . . 53 . . . 5106 1 649 . 1 1 50 50 ILE CG1 C 13 26.5 0.05 . 1 . . . . 53 . . . 5106 1 650 . 1 1 50 50 ILE HG12 H 1 1.44 0.02 . 2 . . . . 53 . . . 5106 1 651 . 1 1 50 50 ILE HG13 H 1 1.33 0.02 . 2 . . . . 53 . . . 5106 1 652 . 1 1 50 50 ILE HD11 H 1 0.97 0.02 . 1 . . . . 53 . . . 5106 1 653 . 1 1 50 50 ILE HD12 H 1 0.97 0.02 . 1 . . . . 53 . . . 5106 1 654 . 1 1 50 50 ILE HD13 H 1 0.97 0.02 . 1 . . . . 53 . . . 5106 1 655 . 1 1 50 50 ILE CD1 C 13 14.1 0.05 . 1 . . . . 53 . . . 5106 1 656 . 1 1 50 50 ILE C C 13 177.0 0.05 . 1 . . . . 53 . . . 5106 1 657 . 1 1 51 51 ASP N N 15 118.3 0.05 . 1 . . . . 54 . . . 5106 1 658 . 1 1 51 51 ASP H H 1 8.39 0.02 . 1 . . . . 54 . . . 5106 1 659 . 1 1 51 51 ASP CA C 13 56.3 0.05 . 1 . . . . 54 . . . 5106 1 660 . 1 1 51 51 ASP HA H 1 4.01 0.02 . 1 . . . . 54 . . . 5106 1 661 . 1 1 51 51 ASP CB C 13 40.2 0.05 . 1 . . . . 54 . . . 5106 1 662 . 1 1 51 51 ASP HB2 H 1 2.61 0.02 . 2 . . . . 54 . . . 5106 1 663 . 1 1 51 51 ASP HB3 H 1 2.58 0.02 . 2 . . . . 54 . . . 5106 1 664 . 1 1 51 51 ASP C C 13 176.3 0.05 . 1 . . . . 54 . . . 5106 1 665 . 1 1 52 52 GLU N N 15 116.9 0.05 . 1 . . . . 55 . . . 5106 1 666 . 1 1 52 52 GLU H H 1 7.10 0.02 . 1 . . . . 55 . . . 5106 1 667 . 1 1 52 52 GLU CA C 13 56.0 0.05 . 1 . . . . 55 . . . 5106 1 668 . 1 1 52 52 GLU HA H 1 4.20 0.02 . 1 . . . . 55 . . . 5106 1 669 . 1 1 52 52 GLU CB C 13 30.0 0.05 . 1 . . . . 55 . . . 5106 1 670 . 1 1 52 52 GLU HB2 H 1 2.25 0.02 . 2 . . . . 55 . . . 5106 1 671 . 1 1 52 52 GLU HB3 H 1 1.76 0.02 . 2 . . . . 55 . . . 5106 1 672 . 1 1 52 52 GLU CG C 13 35.9 0.05 . 1 . . . . 55 . . . 5106 1 673 . 1 1 52 52 GLU HG2 H 1 2.33 0.02 . 2 . . . . 55 . . . 5106 1 674 . 1 1 52 52 GLU HG3 H 1 2.26 0.02 . 2 . . . . 55 . . . 5106 1 675 . 1 1 52 52 GLU C C 13 175.7 0.05 . 1 . . . . 55 . . . 5106 1 676 . 1 1 53 53 GLU N N 15 120.3 0.05 . 1 . . . . 56 . . . 5106 1 677 . 1 1 53 53 GLU H H 1 7.57 0.02 . 1 . . . . 56 . . . 5106 1 678 . 1 1 53 53 GLU CA C 13 57.4 0.05 . 1 . . . . 56 . . . 5106 1 679 . 1 1 53 53 GLU HA H 1 4.09 0.02 . 1 . . . . 56 . . . 5106 1 680 . 1 1 53 53 GLU CB C 13 30.3 0.05 . 1 . . . . 56 . . . 5106 1 681 . 1 1 53 53 GLU HB2 H 1 2.14 0.02 . 2 . . . . 56 . . . 5106 1 682 . 1 1 53 53 GLU HB3 H 1 1.96 0.02 . 2 . . . . 56 . . . 5106 1 683 . 1 1 53 53 GLU CG C 13 35.9 0.05 . 1 . . . . 56 . . . 5106 1 684 . 1 1 53 53 GLU HG2 H 1 2.57 0.02 . 2 . . . . 56 . . . 5106 1 685 . 1 1 53 53 GLU HG3 H 1 2.21 0.02 . 2 . . . . 56 . . . 5106 1 686 . 1 1 53 53 GLU C C 13 175.4 0.05 . 1 . . . . 56 . . . 5106 1 687 . 1 1 54 54 GLU N N 15 123.4 0.05 . 1 . . . . 57 . . . 5106 1 688 . 1 1 54 54 GLU H H 1 8.43 0.02 . 1 . . . . 57 . . . 5106 1 689 . 1 1 54 54 GLU CA C 13 56.5 0.05 . 1 . . . . 57 . . . 5106 1 690 . 1 1 54 54 GLU HA H 1 4.32 0.02 . 1 . . . . 57 . . . 5106 1 691 . 1 1 54 54 GLU CB C 13 32.2 0.05 . 1 . . . . 57 . . . 5106 1 692 . 1 1 54 54 GLU HB2 H 1 1.78 0.02 . 2 . . . . 57 . . . 5106 1 693 . 1 1 54 54 GLU HB3 H 1 1.44 0.02 . 2 . . . . 57 . . . 5106 1 694 . 1 1 54 54 GLU CG C 13 37.4 0.05 . 1 . . . . 57 . . . 5106 1 695 . 1 1 54 54 GLU HG2 H 1 2.17 0.02 . 2 . . . . 57 . . . 5106 1 696 . 1 1 54 54 GLU HG3 H 1 1.77 0.02 . 2 . . . . 57 . . . 5106 1 697 . 1 1 54 54 GLU C C 13 174.3 0.05 . 1 . . . . 57 . . . 5106 1 698 . 1 1 55 55 ILE N N 15 122.0 0.05 . 1 . . . . 58 . . . 5106 1 699 . 1 1 55 55 ILE H H 1 7.85 0.02 . 1 . . . . 58 . . . 5106 1 700 . 1 1 55 55 ILE CA C 13 60.4 0.05 . 1 . . . . 58 . . . 5106 1 701 . 1 1 55 55 ILE HA H 1 3.77 0.02 . 1 . . . . 58 . . . 5106 1 702 . 1 1 55 55 ILE CB C 13 40.1 0.05 . 1 . . . . 58 . . . 5106 1 703 . 1 1 55 55 ILE HB H 1 0.79 0.02 . 1 . . . . 58 . . . 5106 1 704 . 1 1 55 55 ILE HG21 H 1 0.04 0.02 . 1 . . . . 58 . . . 5106 1 705 . 1 1 55 55 ILE HG22 H 1 0.04 0.02 . 1 . . . . 58 . . . 5106 1 706 . 1 1 55 55 ILE HG23 H 1 0.04 0.02 . 1 . . . . 58 . . . 5106 1 707 . 1 1 55 55 ILE CG2 C 13 17.7 0.05 . 1 . . . . 58 . . . 5106 1 708 . 1 1 55 55 ILE CG1 C 13 27.9 0.05 . 1 . . . . 58 . . . 5106 1 709 . 1 1 55 55 ILE HG12 H 1 1.23 0.02 . 2 . . . . 58 . . . 5106 1 710 . 1 1 55 55 ILE HG13 H 1 0.29 0.02 . 2 . . . . 58 . . . 5106 1 711 . 1 1 55 55 ILE HD11 H 1 0.14 0.02 . 1 . . . . 58 . . . 5106 1 712 . 1 1 55 55 ILE HD12 H 1 0.14 0.02 . 1 . . . . 58 . . . 5106 1 713 . 1 1 55 55 ILE HD13 H 1 0.14 0.02 . 1 . . . . 58 . . . 5106 1 714 . 1 1 55 55 ILE CD1 C 13 15.2 0.05 . 1 . . . . 58 . . . 5106 1 715 . 1 1 55 55 ILE C C 13 172.9 0.05 . 1 . . . . 58 . . . 5106 1 716 . 1 1 56 56 PHE N N 15 124.5 0.05 . 1 . . . . 59 . . . 5106 1 717 . 1 1 56 56 PHE H H 1 8.97 0.02 . 1 . . . . 59 . . . 5106 1 718 . 1 1 56 56 PHE CA C 13 55.9 0.05 . 1 . . . . 59 . . . 5106 1 719 . 1 1 56 56 PHE HA H 1 4.82 0.02 . 1 . . . . 59 . . . 5106 1 720 . 1 1 56 56 PHE CB C 13 41.9 0.05 . 1 . . . . 59 . . . 5106 1 721 . 1 1 56 56 PHE HB2 H 1 3.23 0.02 . 2 . . . . 59 . . . 5106 1 722 . 1 1 56 56 PHE HB3 H 1 2.75 0.02 . 2 . . . . 59 . . . 5106 1 723 . 1 1 56 56 PHE HD1 H 1 7.23 0.02 . 1 . . . . 59 . . . 5106 1 724 . 1 1 56 56 PHE HD2 H 1 7.23 0.02 . 1 . . . . 59 . . . 5106 1 725 . 1 1 56 56 PHE HE1 H 1 7.28 0.02 . 1 . . . . 59 . . . 5106 1 726 . 1 1 56 56 PHE HE2 H 1 7.28 0.02 . 1 . . . . 59 . . . 5106 1 727 . 1 1 56 56 PHE C C 13 175.1 0.05 . 1 . . . . 59 . . . 5106 1 728 . 1 1 57 57 ASP N N 15 117.3 0.05 . 1 . . . . 60 . . . 5106 1 729 . 1 1 57 57 ASP H H 1 8.32 0.02 . 1 . . . . 60 . . . 5106 1 730 . 1 1 57 57 ASP CA C 13 56.4 0.05 . 1 . . . . 60 . . . 5106 1 731 . 1 1 57 57 ASP HA H 1 4.63 0.02 . 1 . . . . 60 . . . 5106 1 732 . 1 1 57 57 ASP CB C 13 42.7 0.05 . 1 . . . . 60 . . . 5106 1 733 . 1 1 57 57 ASP HB2 H 1 2.83 0.02 . 2 . . . . 60 . . . 5106 1 734 . 1 1 57 57 ASP HB3 H 1 2.68 0.02 . 2 . . . . 60 . . . 5106 1 735 . 1 1 57 57 ASP C C 13 177.9 0.05 . 1 . . . . 60 . . . 5106 1 736 . 1 1 58 58 GLY N N 15 114.6 0.05 . 1 . . . . 61 . . . 5106 1 737 . 1 1 58 58 GLY H H 1 9.70 0.02 . 1 . . . . 61 . . . 5106 1 738 . 1 1 58 58 GLY CA C 13 45.1 0.05 . 1 . . . . 61 . . . 5106 1 739 . 1 1 58 58 GLY HA2 H 1 4.42 0.02 . 2 . . . . 61 . . . 5106 1 740 . 1 1 58 58 GLY HA3 H 1 3.77 0.02 . 2 . . . . 61 . . . 5106 1 741 . 1 1 58 58 GLY C C 13 174.9 0.05 . 1 . . . . 61 . . . 5106 1 742 . 1 1 59 59 ASP N N 15 122.2 0.05 . 1 . . . . 62 . . . 5106 1 743 . 1 1 59 59 ASP H H 1 8.35 0.02 . 1 . . . . 62 . . . 5106 1 744 . 1 1 59 59 ASP CA C 13 55.9 0.05 . 1 . . . . 62 . . . 5106 1 745 . 1 1 59 59 ASP HA H 1 4.94 0.02 . 1 . . . . 62 . . . 5106 1 746 . 1 1 59 59 ASP CB C 13 42.5 0.05 . 1 . . . . 62 . . . 5106 1 747 . 1 1 59 59 ASP HB2 H 1 3.06 0.02 . 2 . . . . 62 . . . 5106 1 748 . 1 1 59 59 ASP HB3 H 1 2.30 0.02 . 2 . . . . 62 . . . 5106 1 749 . 1 1 59 59 ASP C C 13 176.0 0.05 . 1 . . . . 62 . . . 5106 1 750 . 1 1 60 60 ILE N N 15 119.1 0.05 . 1 . . . . 63 . . . 5106 1 751 . 1 1 60 60 ILE H H 1 8.40 0.02 . 1 . . . . 63 . . . 5106 1 752 . 1 1 60 60 ILE CA C 13 60.7 0.05 . 1 . . . . 63 . . . 5106 1 753 . 1 1 60 60 ILE HA H 1 4.69 0.02 . 1 . . . . 63 . . . 5106 1 754 . 1 1 60 60 ILE CB C 13 39.7 0.05 . 1 . . . . 63 . . . 5106 1 755 . 1 1 60 60 ILE HB H 1 1.91 0.02 . 1 . . . . 63 . . . 5106 1 756 . 1 1 60 60 ILE HG21 H 1 0.83 0.02 . 1 . . . . 63 . . . 5106 1 757 . 1 1 60 60 ILE HG22 H 1 0.83 0.02 . 1 . . . . 63 . . . 5106 1 758 . 1 1 60 60 ILE HG23 H 1 0.83 0.02 . 1 . . . . 63 . . . 5106 1 759 . 1 1 60 60 ILE CG2 C 13 17.8 0.05 . 1 . . . . 63 . . . 5106 1 760 . 1 1 60 60 ILE CG1 C 13 27.4 0.05 . 1 . . . . 63 . . . 5106 1 761 . 1 1 60 60 ILE HG12 H 1 1.78 0.02 . 2 . . . . 63 . . . 5106 1 762 . 1 1 60 60 ILE HG13 H 1 1.07 0.02 . 2 . . . . 63 . . . 5106 1 763 . 1 1 60 60 ILE HD11 H 1 0.94 0.02 . 1 . . . . 63 . . . 5106 1 764 . 1 1 60 60 ILE HD12 H 1 0.94 0.02 . 1 . . . . 63 . . . 5106 1 765 . 1 1 60 60 ILE HD13 H 1 0.94 0.02 . 1 . . . . 63 . . . 5106 1 766 . 1 1 60 60 ILE CD1 C 13 13.5 0.05 . 1 . . . . 63 . . . 5106 1 767 . 1 1 60 60 ILE C C 13 175.4 0.05 . 1 . . . . 63 . . . 5106 1 768 . 1 1 61 61 ILE N N 15 130.3 0.05 . 1 . . . . 64 . . . 5106 1 769 . 1 1 61 61 ILE H H 1 9.55 0.02 . 1 . . . . 64 . . . 5106 1 770 . 1 1 61 61 ILE CA C 13 58.3 0.05 . 1 . . . . 64 . . . 5106 1 771 . 1 1 61 61 ILE HA H 1 5.23 0.02 . 1 . . . . 64 . . . 5106 1 772 . 1 1 61 61 ILE CB C 13 38.7 0.05 . 1 . . . . 64 . . . 5106 1 773 . 1 1 61 61 ILE HB H 1 2.25 0.02 . 1 . . . . 64 . . . 5106 1 774 . 1 1 61 61 ILE HG21 H 1 0.76 0.02 . 1 . . . . 64 . . . 5106 1 775 . 1 1 61 61 ILE HG22 H 1 0.76 0.02 . 1 . . . . 64 . . . 5106 1 776 . 1 1 61 61 ILE HG23 H 1 0.76 0.02 . 1 . . . . 64 . . . 5106 1 777 . 1 1 61 61 ILE CG2 C 13 17.9 0.05 . 1 . . . . 64 . . . 5106 1 778 . 1 1 61 61 ILE CG1 C 13 28.0 0.05 . 1 . . . . 64 . . . 5106 1 779 . 1 1 61 61 ILE HG12 H 1 1.36 0.02 . 1 . . . . 64 . . . 5106 1 780 . 1 1 61 61 ILE HG13 H 1 1.36 0.02 . 1 . . . . 64 . . . 5106 1 781 . 1 1 61 61 ILE HD11 H 1 0.78 0.02 . 1 . . . . 64 . . . 5106 1 782 . 1 1 61 61 ILE HD12 H 1 0.78 0.02 . 1 . . . . 64 . . . 5106 1 783 . 1 1 61 61 ILE HD13 H 1 0.78 0.02 . 1 . . . . 64 . . . 5106 1 784 . 1 1 61 61 ILE CD1 C 13 13.2 0.05 . 1 . . . . 64 . . . 5106 1 785 . 1 1 61 61 ILE C C 13 174.4 0.05 . 1 . . . . 64 . . . 5106 1 786 . 1 1 62 62 GLU N N 15 126.8 0.05 . 1 . . . . 65 . . . 5106 1 787 . 1 1 62 62 GLU H H 1 9.34 0.02 . 1 . . . . 65 . . . 5106 1 788 . 1 1 62 62 GLU CA C 13 54.5 0.05 . 1 . . . . 65 . . . 5106 1 789 . 1 1 62 62 GLU HA H 1 5.08 0.02 . 1 . . . . 65 . . . 5106 1 790 . 1 1 62 62 GLU CB C 13 33.3 0.05 . 1 . . . . 65 . . . 5106 1 791 . 1 1 62 62 GLU HB2 H 1 1.98 0.02 . 2 . . . . 65 . . . 5106 1 792 . 1 1 62 62 GLU HB3 H 1 1.75 0.02 . 2 . . . . 65 . . . 5106 1 793 . 1 1 62 62 GLU CG C 13 37.0 0.05 . 1 . . . . 65 . . . 5106 1 794 . 1 1 62 62 GLU HG2 H 1 2.02 0.02 . 1 . . . . 65 . . . 5106 1 795 . 1 1 62 62 GLU HG3 H 1 2.02 0.02 . 1 . . . . 65 . . . 5106 1 796 . 1 1 62 62 GLU C C 13 174.3 0.05 . 1 . . . . 65 . . . 5106 1 797 . 1 1 63 63 VAL N N 15 124.3 0.05 . 1 . . . . 66 . . . 5106 1 798 . 1 1 63 63 VAL H H 1 8.71 0.02 . 1 . . . . 66 . . . 5106 1 799 . 1 1 63 63 VAL CA C 13 61.9 0.05 . 1 . . . . 66 . . . 5106 1 800 . 1 1 63 63 VAL HA H 1 4.42 0.02 . 1 . . . . 66 . . . 5106 1 801 . 1 1 63 63 VAL CB C 13 32.6 0.05 . 1 . . . . 66 . . . 5106 1 802 . 1 1 63 63 VAL HB H 1 2.08 0.02 . 1 . . . . 66 . . . 5106 1 803 . 1 1 63 63 VAL HG11 H 1 0.83 0.02 . 2 . . . . 66 . . . 5106 1 804 . 1 1 63 63 VAL HG12 H 1 0.83 0.02 . 2 . . . . 66 . . . 5106 1 805 . 1 1 63 63 VAL HG13 H 1 0.83 0.02 . 2 . . . . 66 . . . 5106 1 806 . 1 1 63 63 VAL HG21 H 1 0.76 0.02 . 2 . . . . 66 . . . 5106 1 807 . 1 1 63 63 VAL HG22 H 1 0.76 0.02 . 2 . . . . 66 . . . 5106 1 808 . 1 1 63 63 VAL HG23 H 1 0.76 0.02 . 2 . . . . 66 . . . 5106 1 809 . 1 1 63 63 VAL CG1 C 13 22.2 0.05 . 1 . . . . 66 . . . 5106 1 810 . 1 1 63 63 VAL CG2 C 13 20.9 0.05 . 1 . . . . 66 . . . 5106 1 811 . 1 1 63 63 VAL C C 13 175.3 0.05 . 1 . . . . 66 . . . 5106 1 812 . 1 1 64 64 ILE N N 15 131.2 0.05 . 1 . . . . 67 . . . 5106 1 813 . 1 1 64 64 ILE H H 1 9.18 0.02 . 1 . . . . 67 . . . 5106 1 814 . 1 1 64 64 ILE CA C 13 60.2 0.05 . 1 . . . . 67 . . . 5106 1 815 . 1 1 64 64 ILE HA H 1 4.36 0.02 . 1 . . . . 67 . . . 5106 1 816 . 1 1 64 64 ILE CB C 13 40.4 0.05 . 1 . . . . 67 . . . 5106 1 817 . 1 1 64 64 ILE HB H 1 1.79 0.02 . 1 . . . . 67 . . . 5106 1 818 . 1 1 64 64 ILE HG21 H 1 0.85 0.02 . 1 . . . . 67 . . . 5106 1 819 . 1 1 64 64 ILE HG22 H 1 0.85 0.02 . 1 . . . . 67 . . . 5106 1 820 . 1 1 64 64 ILE HG23 H 1 0.85 0.02 . 1 . . . . 67 . . . 5106 1 821 . 1 1 64 64 ILE CG2 C 13 17.6 0.05 . 1 . . . . 67 . . . 5106 1 822 . 1 1 64 64 ILE CG1 C 13 27.5 0.05 . 1 . . . . 67 . . . 5106 1 823 . 1 1 64 64 ILE HG12 H 1 1.29 0.02 . 2 . . . . 67 . . . 5106 1 824 . 1 1 64 64 ILE HG13 H 1 1.06 0.02 . 2 . . . . 67 . . . 5106 1 825 . 1 1 64 64 ILE HD11 H 1 0.70 0.02 . 1 . . . . 67 . . . 5106 1 826 . 1 1 64 64 ILE HD12 H 1 0.70 0.02 . 1 . . . . 67 . . . 5106 1 827 . 1 1 64 64 ILE HD13 H 1 0.70 0.02 . 1 . . . . 67 . . . 5106 1 828 . 1 1 64 64 ILE CD1 C 13 13.9 0.05 . 1 . . . . 67 . . . 5106 1 829 . 1 1 64 64 ILE C C 13 175.3 0.05 . 1 . . . . 67 . . . 5106 1 830 . 1 1 65 65 ARG N N 15 126.9 0.05 . 1 . . . . 68 . . . 5106 1 831 . 1 1 65 65 ARG H H 1 9.02 0.02 . 1 . . . . 68 . . . 5106 1 832 . 1 1 65 65 ARG CA C 13 57.2 0.05 . 1 . . . . 68 . . . 5106 1 833 . 1 1 65 65 ARG HA H 1 4.48 0.02 . 1 . . . . 68 . . . 5106 1 834 . 1 1 65 65 ARG CB C 13 30.5 0.05 . 1 . . . . 68 . . . 5106 1 835 . 1 1 65 65 ARG HB2 H 1 1.82 0.02 . 2 . . . . 68 . . . 5106 1 836 . 1 1 65 65 ARG HB3 H 1 1.77 0.02 . 2 . . . . 68 . . . 5106 1 837 . 1 1 65 65 ARG CG C 13 28.1 0.05 . 1 . . . . 68 . . . 5106 1 838 . 1 1 65 65 ARG HG2 H 1 1.74 0.02 . 2 . . . . 68 . . . 5106 1 839 . 1 1 65 65 ARG HG3 H 1 1.52 0.02 . 2 . . . . 68 . . . 5106 1 840 . 1 1 65 65 ARG CD C 13 43.5 0.05 . 1 . . . . 68 . . . 5106 1 841 . 1 1 65 65 ARG HD2 H 1 3.19 0.02 . 1 . . . . 68 . . . 5106 1 842 . 1 1 65 65 ARG HD3 H 1 3.19 0.02 . 1 . . . . 68 . . . 5106 1 843 . 1 1 65 65 ARG C C 13 176.8 0.05 . 1 . . . . 68 . . . 5106 1 844 . 1 1 66 66 VAL N N 15 122.3 0.05 . 1 . . . . 69 . . . 5106 1 845 . 1 1 66 66 VAL H H 1 8.28 0.02 . 1 . . . . 69 . . . 5106 1 846 . 1 1 66 66 VAL CA C 13 62.2 0.05 . 1 . . . . 69 . . . 5106 1 847 . 1 1 66 66 VAL HA H 1 4.10 0.02 . 1 . . . . 69 . . . 5106 1 848 . 1 1 66 66 VAL CB C 13 32.8 0.05 . 1 . . . . 69 . . . 5106 1 849 . 1 1 66 66 VAL HB H 1 1.94 0.02 . 1 . . . . 69 . . . 5106 1 850 . 1 1 66 66 VAL HG11 H 1 0.78 0.02 . 2 . . . . 69 . . . 5106 1 851 . 1 1 66 66 VAL HG12 H 1 0.78 0.02 . 2 . . . . 69 . . . 5106 1 852 . 1 1 66 66 VAL HG13 H 1 0.78 0.02 . 2 . . . . 69 . . . 5106 1 853 . 1 1 66 66 VAL HG21 H 1 0.75 0.02 . 2 . . . . 69 . . . 5106 1 854 . 1 1 66 66 VAL HG22 H 1 0.75 0.02 . 2 . . . . 69 . . . 5106 1 855 . 1 1 66 66 VAL HG23 H 1 0.75 0.02 . 2 . . . . 69 . . . 5106 1 856 . 1 1 66 66 VAL CG1 C 13 20.4 0.05 . 1 . . . . 69 . . . 5106 1 857 . 1 1 66 66 VAL CG2 C 13 21.3 0.05 . 1 . . . . 69 . . . 5106 1 858 . 1 1 66 66 VAL C C 13 175.5 0.05 . 1 . . . . 69 . . . 5106 1 859 . 1 1 67 67 ILE N N 15 124.0 0.05 . 1 . . . . 70 . . . 5106 1 860 . 1 1 67 67 ILE H H 1 7.93 0.02 . 1 . . . . 70 . . . 5106 1 861 . 1 1 67 67 ILE CA C 13 60.3 0.05 . 1 . . . . 70 . . . 5106 1 862 . 1 1 67 67 ILE HA H 1 4.21 0.02 . 1 . . . . 70 . . . 5106 1 863 . 1 1 67 67 ILE CB C 13 38.9 0.05 . 1 . . . . 70 . . . 5106 1 864 . 1 1 67 67 ILE HB H 1 1.76 0.02 . 1 . . . . 70 . . . 5106 1 865 . 1 1 67 67 ILE HG21 H 1 0.83 0.02 . 1 . . . . 70 . . . 5106 1 866 . 1 1 67 67 ILE HG22 H 1 0.83 0.02 . 1 . . . . 70 . . . 5106 1 867 . 1 1 67 67 ILE HG23 H 1 0.83 0.02 . 1 . . . . 70 . . . 5106 1 868 . 1 1 67 67 ILE CG2 C 13 17.3 0.05 . 1 . . . . 70 . . . 5106 1 869 . 1 1 67 67 ILE CG1 C 13 27.1 0.05 . 1 . . . . 70 . . . 5106 1 870 . 1 1 67 67 ILE HG12 H 1 1.40 0.02 . 2 . . . . 70 . . . 5106 1 871 . 1 1 67 67 ILE HG13 H 1 1.14 0.02 . 2 . . . . 70 . . . 5106 1 872 . 1 1 67 67 ILE HD11 H 1 0.82 0.02 . 1 . . . . 70 . . . 5106 1 873 . 1 1 67 67 ILE HD12 H 1 0.82 0.02 . 1 . . . . 70 . . . 5106 1 874 . 1 1 67 67 ILE HD13 H 1 0.82 0.02 . 1 . . . . 70 . . . 5106 1 875 . 1 1 67 67 ILE CD1 C 13 12.5 0.05 . 1 . . . . 70 . . . 5106 1 876 . 1 1 67 67 ILE C C 13 175.5 0.05 . 1 . . . . 70 . . . 5106 1 877 . 1 1 68 68 TYR N N 15 126.2 0.05 . 1 . . . . 71 . . . 5106 1 878 . 1 1 68 68 TYR H H 1 8.45 0.02 . 1 . . . . 71 . . . 5106 1 879 . 1 1 68 68 TYR CA C 13 57.9 0.05 . 1 . . . . 71 . . . 5106 1 880 . 1 1 68 68 TYR HA H 1 4.59 0.02 . 1 . . . . 71 . . . 5106 1 881 . 1 1 68 68 TYR CB C 13 39.0 0.05 . 1 . . . . 71 . . . 5106 1 882 . 1 1 68 68 TYR HB2 H 1 3.06 0.02 . 2 . . . . 71 . . . 5106 1 883 . 1 1 68 68 TYR HB3 H 1 2.94 0.02 . 2 . . . . 71 . . . 5106 1 884 . 1 1 68 68 TYR HD1 H 1 7.14 0.02 . 1 . . . . 71 . . . 5106 1 885 . 1 1 68 68 TYR HD2 H 1 7.14 0.02 . 1 . . . . 71 . . . 5106 1 886 . 1 1 68 68 TYR C C 13 176.2 0.05 . 1 . . . . 71 . . . 5106 1 887 . 1 1 69 69 GLY N N 15 112.0 0.05 . 1 . . . . 72 . . . 5106 1 888 . 1 1 69 69 GLY H H 1 8.37 0.02 . 1 . . . . 72 . . . 5106 1 889 . 1 1 69 69 GLY CA C 13 45.3 0.05 . 1 . . . . 72 . . . 5106 1 890 . 1 1 69 69 GLY HA2 H 1 3.91 0.02 . 1 . . . . 72 . . . 5106 1 891 . 1 1 69 69 GLY HA3 H 1 3.91 0.02 . 1 . . . . 72 . . . 5106 1 892 . 1 1 69 69 GLY C C 13 173.5 0.05 . 1 . . . . 72 . . . 5106 1 893 . 1 1 70 70 GLY N N 15 114.9 0.05 . 1 . . . . 73 . . . 5106 1 894 . 1 1 70 70 GLY H H 1 7.62 0.02 . 1 . . . . 73 . . . 5106 1 895 . 1 1 70 70 GLY CA C 13 46.0 0.05 . 1 . . . . 73 . . . 5106 1 896 . 1 1 70 70 GLY HA2 H 1 3.73 0.02 . 1 . . . . 73 . . . 5106 1 897 . 1 1 70 70 GLY HA3 H 1 3.73 0.02 . 1 . . . . 73 . . . 5106 1 stop_ save_