data_5977 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5977 _Entry.Title ; NMR for Structural Proteomics of Thermotoga maritima: Screening and Sructure Determination ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-17 _Entry.Accession_date 2003-10-17 _Entry.Last_release_date 2004-07-30 _Entry.Original_release_date 2004-07-30 _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 Wolfgang Peti . . . 5977 2 Touraj Etezady-Esfarjani . . . 5977 3 Torsten Herrmann . . . 5977 4 Heath Klock . E. . 5977 5 Scott Lesley . A. . 5977 6 Kurt Wuethrich . . . 5977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 467 5977 '13C chemical shifts' 283 5977 '15N chemical shifts' 57 5977 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-07-30 2003-10-17 original author . 5977 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5977 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15263836 _Citation.Full_citation . _Citation.Title ; NMR for Structural Proteomics of Thermotoga maritima: Screening and Sructure Determination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 3 _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 205 _Citation.Page_last 215 _Citation.Year 2004 _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 Wolfgang Peti . . . 5977 1 2 Touraj Etezady-Esfarjani . . . 5977 1 3 Torsten Herrmann . . . 5977 1 4 Heath Klock . E. . 5977 1 5 Scott Lesley . A. . 5977 1 6 Kurt Wuethrich . . . 5977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM1492 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM1492 _Assembly.Entry_ID 5977 _Assembly.ID 1 _Assembly.Name TM1492 _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 5977 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 'TM1492 monomer' 1 $TM1492 . . . native . . . . . 5977 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TM1492 system 5977 1 TM1492 abbreviation 5977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1492 _Entity.Sf_category entity _Entity.Sf_framecode TM1492 _Entity.Entry_ID 5977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1492 _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 ; MKASELRNYTDEELKNLLEE KKRQLMELRFQLAMGQLKNT SLIKLTKRDIARIKTILRER ELGIRR ; _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 66 _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 1R73 . "Solution Structure Of Tm1492, The L29 Ribosomal Protein From Thermotoga Maritima" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 2 no EMBL CAA79785 . "ribosomal protein L29 [Thermotoga maritima]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 3 no GB AAD36558 . "ribosomal protein L29 [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 4 no GB ABQ47314 . "LSU ribosomal protein L29P [Thermotoga petrophila RKU-1]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 5 no GB ACB09730 . "ribosomal protein L29 [Thermotoga sp. RQ2]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 6 no GB ACM23177 . "50S ribosomal protein L29 [Thermotoga neapolitana DSM 4359]" . . . . . 100.00 66 98.48 100.00 5.31e-35 . . . . 5977 1 7 no GB ADA67402 . "ribosomal protein L29 [Thermotoga naphthophila RKU-10]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 8 no REF NP_229292 . "50S ribosomal protein L29 [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 9 no REF WP_004081820 . "MULTISPECIES: 50S ribosomal protein L29 [Thermotoga]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 10 no REF WP_015919494 . "50S ribosomal protein L29 [Thermotoga neapolitana]" . . . . . 100.00 66 98.48 100.00 5.31e-35 . . . . 5977 1 11 no REF YP_001244890 . "50S ribosomal protein L29 [Thermotoga petrophila RKU-1]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 12 no REF YP_001739413 . "50S ribosomal protein L29 [Thermotoga sp. RQ2]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 13 no SP A5IM91 . "RecName: Full=50S ribosomal protein L29 [Thermotoga petrophila RKU-1]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 14 no SP B1LBN2 . "RecName: Full=50S ribosomal protein L29 [Thermotoga sp. RQ2]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 15 no SP B9K894 . "RecName: Full=50S ribosomal protein L29 [Thermotoga neapolitana DSM 4359]" . . . . . 100.00 66 98.48 100.00 5.31e-35 . . . . 5977 1 16 no SP P38514 . "RecName: Full=50S ribosomal protein L29 [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.70e-35 . . . . 5977 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TM1492 common 5977 1 TM1492 abbreviation 5977 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5977 1 2 . LYS . 5977 1 3 . ALA . 5977 1 4 . SER . 5977 1 5 . GLU . 5977 1 6 . LEU . 5977 1 7 . ARG . 5977 1 8 . ASN . 5977 1 9 . TYR . 5977 1 10 . THR . 5977 1 11 . ASP . 5977 1 12 . GLU . 5977 1 13 . GLU . 5977 1 14 . LEU . 5977 1 15 . LYS . 5977 1 16 . ASN . 5977 1 17 . LEU . 5977 1 18 . LEU . 5977 1 19 . GLU . 5977 1 20 . GLU . 5977 1 21 . LYS . 5977 1 22 . LYS . 5977 1 23 . ARG . 5977 1 24 . GLN . 5977 1 25 . LEU . 5977 1 26 . MET . 5977 1 27 . GLU . 5977 1 28 . LEU . 5977 1 29 . ARG . 5977 1 30 . PHE . 5977 1 31 . GLN . 5977 1 32 . LEU . 5977 1 33 . ALA . 5977 1 34 . MET . 5977 1 35 . GLY . 5977 1 36 . GLN . 5977 1 37 . LEU . 5977 1 38 . LYS . 5977 1 39 . ASN . 5977 1 40 . THR . 5977 1 41 . SER . 5977 1 42 . LEU . 5977 1 43 . ILE . 5977 1 44 . LYS . 5977 1 45 . LEU . 5977 1 46 . THR . 5977 1 47 . LYS . 5977 1 48 . ARG . 5977 1 49 . ASP . 5977 1 50 . ILE . 5977 1 51 . ALA . 5977 1 52 . ARG . 5977 1 53 . ILE . 5977 1 54 . LYS . 5977 1 55 . THR . 5977 1 56 . ILE . 5977 1 57 . LEU . 5977 1 58 . ARG . 5977 1 59 . GLU . 5977 1 60 . ARG . 5977 1 61 . GLU . 5977 1 62 . LEU . 5977 1 63 . GLY . 5977 1 64 . ILE . 5977 1 65 . ARG . 5977 1 66 . ARG . 5977 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 5977 1 . LYS 2 2 5977 1 . ALA 3 3 5977 1 . SER 4 4 5977 1 . GLU 5 5 5977 1 . LEU 6 6 5977 1 . ARG 7 7 5977 1 . ASN 8 8 5977 1 . TYR 9 9 5977 1 . THR 10 10 5977 1 . ASP 11 11 5977 1 . GLU 12 12 5977 1 . GLU 13 13 5977 1 . LEU 14 14 5977 1 . LYS 15 15 5977 1 . ASN 16 16 5977 1 . LEU 17 17 5977 1 . LEU 18 18 5977 1 . GLU 19 19 5977 1 . GLU 20 20 5977 1 . LYS 21 21 5977 1 . LYS 22 22 5977 1 . ARG 23 23 5977 1 . GLN 24 24 5977 1 . LEU 25 25 5977 1 . MET 26 26 5977 1 . GLU 27 27 5977 1 . LEU 28 28 5977 1 . ARG 29 29 5977 1 . PHE 30 30 5977 1 . GLN 31 31 5977 1 . LEU 32 32 5977 1 . ALA 33 33 5977 1 . MET 34 34 5977 1 . GLY 35 35 5977 1 . GLN 36 36 5977 1 . LEU 37 37 5977 1 . LYS 38 38 5977 1 . ASN 39 39 5977 1 . THR 40 40 5977 1 . SER 41 41 5977 1 . LEU 42 42 5977 1 . ILE 43 43 5977 1 . LYS 44 44 5977 1 . LEU 45 45 5977 1 . THR 46 46 5977 1 . LYS 47 47 5977 1 . ARG 48 48 5977 1 . ASP 49 49 5977 1 . ILE 50 50 5977 1 . ALA 51 51 5977 1 . ARG 52 52 5977 1 . ILE 53 53 5977 1 . LYS 54 54 5977 1 . THR 55 55 5977 1 . ILE 56 56 5977 1 . LEU 57 57 5977 1 . ARG 58 58 5977 1 . GLU 59 59 5977 1 . ARG 60 60 5977 1 . GLU 61 61 5977 1 . LEU 62 62 5977 1 . GLY 63 63 5977 1 . ILE 64 64 5977 1 . ARG 65 65 5977 1 . ARG 66 66 5977 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 5977 _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 $TM1492 . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 5977 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 5977 _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 $TM1492 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5977 _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 TM1492 '[U-13C; U-15N]' . . 1 $TM1492 . . 3.6 . . mM . . . . 5977 1 stop_ save_ ####################### # Sample conditions # ####################### save_TM1492-cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode TM1492-cond1 _Sample_condition_list.Entry_ID 5977 _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* 6.0 0.2 na 5977 1 temperature 313 0.2 K 5977 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 5977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5977 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5977 _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 Bruker Avance . 600 . . . 5977 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5977 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 5977 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 2 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 3 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 4 CCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 6 '15N resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 7 '15N resolved TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5977 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 2 _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 . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N resolved NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5977 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N resolved TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5977 _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 1.000000000 . . . . . . . . . 5977 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5977 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5977 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_TM1492chemshift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TM1492chemshift1 _Assigned_chem_shift_list.Entry_ID 5977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $TM1492-cond1 _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 HNCACB 1 $sample_1 . 5977 1 2 CBCACONH 1 $sample_1 . 5977 1 3 HBHACONH 1 $sample_1 . 5977 1 4 CCCONH 1 $sample_1 . 5977 1 5 HCCH-TOCSY 1 $sample_1 . 5977 1 6 '15N resolved NOESY' 1 $sample_1 . 5977 1 7 '15N resolved TOCSY' 1 $sample_1 . 5977 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 3 3 ALA CA C 13 54.624 0.2 . 1 . . . . . . . . 5977 1 2 . 1 1 3 3 ALA HA H 1 4.175 0.002 . 1 . . . . . . . . 5977 1 3 . 1 1 3 3 ALA HB1 H 1 1.540 0.015 . 1 . . . . . . . . 5977 1 4 . 1 1 3 3 ALA HB2 H 1 1.540 0.015 . 1 . . . . . . . . 5977 1 5 . 1 1 3 3 ALA HB3 H 1 1.540 0.015 . 1 . . . . . . . . 5977 1 6 . 1 1 3 3 ALA CB C 13 18.465 0.2 . 1 . . . . . . . . 5977 1 7 . 1 1 4 4 SER CA C 13 59.823 0.2 . 1 . . . . . . . . 5977 1 8 . 1 1 4 4 SER HA H 1 4.257 0.007 . 1 . . . . . . . . 5977 1 9 . 1 1 4 4 SER CB C 13 62.895 0.2 . 1 . . . . . . . . 5977 1 10 . 1 1 4 4 SER HB2 H 1 3.958 0.005 . 1 . . . . . . . . 5977 1 11 . 1 1 4 4 SER HB3 H 1 3.994 0.021 . 1 . . . . . . . . 5977 1 12 . 1 1 4 4 SER C C 13 175.758 0.2 . 1 . . . . . . . . 5977 1 13 . 1 1 5 5 GLU N N 15 121.737 0.1 . 1 . . . . . . . . 5977 1 14 . 1 1 5 5 GLU H H 1 7.613 0.015 . 1 . . . . . . . . 5977 1 15 . 1 1 5 5 GLU CA C 13 57.223 0.2 . 1 . . . . . . . . 5977 1 16 . 1 1 5 5 GLU HA H 1 4.366 0.003 . 1 . . . . . . . . 5977 1 17 . 1 1 5 5 GLU CB C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 18 . 1 1 5 5 GLU HB2 H 1 2.198 0.002 . 1 . . . . . . . . 5977 1 19 . 1 1 5 5 GLU HB3 H 1 2.198 0.002 . 1 . . . . . . . . 5977 1 20 . 1 1 5 5 GLU CG C 13 36.663 0.2 . 1 . . . . . . . . 5977 1 21 . 1 1 5 5 GLU HG2 H 1 2.345 0.002 . 1 . . . . . . . . 5977 1 22 . 1 1 5 5 GLU HG3 H 1 2.404 0.002 . 1 . . . . . . . . 5977 1 23 . 1 1 5 5 GLU C C 13 177.943 0.2 . 1 . . . . . . . . 5977 1 24 . 1 1 6 6 LEU N N 15 120.607 0.1 . 1 . . . . . . . . 5977 1 25 . 1 1 6 6 LEU H H 1 7.834 0.015 . 1 . . . . . . . . 5977 1 26 . 1 1 6 6 LEU CA C 13 56.987 0.2 . 1 . . . . . . . . 5977 1 27 . 1 1 6 6 LEU HA H 1 3.992 0.002 . 1 . . . . . . . . 5977 1 28 . 1 1 6 6 LEU CB C 13 42.571 0.2 . 1 . . . . . . . . 5977 1 29 . 1 1 6 6 LEU HB2 H 1 1.384 0.003 . 1 . . . . . . . . 5977 1 30 . 1 1 6 6 LEU HB3 H 1 1.819 0.001 . 1 . . . . . . . . 5977 1 31 . 1 1 6 6 LEU CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 32 . 1 1 6 6 LEU HG H 1 1.701 0.007 . 1 . . . . . . . . 5977 1 33 . 1 1 6 6 LEU HD11 H 1 0.681 0.003 . 1 . . . . . . . . 5977 1 34 . 1 1 6 6 LEU HD12 H 1 0.681 0.003 . 1 . . . . . . . . 5977 1 35 . 1 1 6 6 LEU HD13 H 1 0.681 0.003 . 1 . . . . . . . . 5977 1 36 . 1 1 6 6 LEU HD21 H 1 0.801 0.001 . 1 . . . . . . . . 5977 1 37 . 1 1 6 6 LEU HD22 H 1 0.801 0.001 . 1 . . . . . . . . 5977 1 38 . 1 1 6 6 LEU HD23 H 1 0.801 0.001 . 1 . . . . . . . . 5977 1 39 . 1 1 6 6 LEU CD1 C 13 22.719 0.2 . 1 . . . . . . . . 5977 1 40 . 1 1 6 6 LEU CD2 C 13 26.028 0.2 . 1 . . . . . . . . 5977 1 41 . 1 1 6 6 LEU C C 13 178.240 0.2 . 1 . . . . . . . . 5977 1 42 . 1 1 7 7 ARG N N 15 113.965 0.1 . 1 . . . . . . . . 5977 1 43 . 1 1 7 7 ARG H H 1 7.824 0.015 . 1 . . . . . . . . 5977 1 44 . 1 1 7 7 ARG CA C 13 58.641 0.2 . 1 . . . . . . . . 5977 1 45 . 1 1 7 7 ARG HA H 1 4.086 0.002 . 1 . . . . . . . . 5977 1 46 . 1 1 7 7 ARG CB C 13 29.809 0.2 . 1 . . . . . . . . 5977 1 47 . 1 1 7 7 ARG HB2 H 1 1.883 0.003 . 1 . . . . . . . . 5977 1 48 . 1 1 7 7 ARG HB3 H 1 1.977 0.001 . 1 . . . . . . . . 5977 1 49 . 1 1 7 7 ARG CG C 13 28.627 0.2 . 1 . . . . . . . . 5977 1 50 . 1 1 7 7 ARG HG2 H 1 1.719 0.008 . 1 . . . . . . . . 5977 1 51 . 1 1 7 7 ARG HG3 H 1 1.719 0.008 . 1 . . . . . . . . 5977 1 52 . 1 1 7 7 ARG CD C 13 43.516 0.2 . 1 . . . . . . . . 5977 1 53 . 1 1 7 7 ARG HD2 H 1 3.271 0.005 . 1 . . . . . . . . 5977 1 54 . 1 1 7 7 ARG HD3 H 1 3.271 0.005 . 1 . . . . . . . . 5977 1 55 . 1 1 7 7 ARG C C 13 176.385 0.2 . 1 . . . . . . . . 5977 1 56 . 1 1 8 8 ASN N N 15 114.884 0.1 . 1 . . . . . . . . 5977 1 57 . 1 1 8 8 ASN H H 1 7.698 0.015 . 1 . . . . . . . . 5977 1 58 . 1 1 8 8 ASN CA C 13 53.442 0.2 . 1 . . . . . . . . 5977 1 59 . 1 1 8 8 ASN HA H 1 4.832 0.003 . 1 . . . . . . . . 5977 1 60 . 1 1 8 8 ASN CB C 13 38.553 0.2 . 1 . . . . . . . . 5977 1 61 . 1 1 8 8 ASN HB2 H 1 2.776 0.015 . 1 . . . . . . . . 5977 1 62 . 1 1 8 8 ASN HB3 H 1 3.017 0.015 . 1 . . . . . . . . 5977 1 63 . 1 1 8 8 ASN C C 13 175.679 0.2 . 1 . . . . . . . . 5977 1 64 . 1 1 9 9 TYR N N 15 121.022 0.1 . 1 . . . . . . . . 5977 1 65 . 1 1 9 9 TYR H H 1 7.722 0.015 . 1 . . . . . . . . 5977 1 66 . 1 1 9 9 TYR CA C 13 57.223 0.2 . 1 . . . . . . . . 5977 1 67 . 1 1 9 9 TYR HA H 1 4.929 0.003 . 1 . . . . . . . . 5977 1 68 . 1 1 9 9 TYR CB C 13 38.790 0.2 . 1 . . . . . . . . 5977 1 69 . 1 1 9 9 TYR HB2 H 1 3.310 0.015 . 1 . . . . . . . . 5977 1 70 . 1 1 9 9 TYR HB3 H 1 3.310 0.015 . 1 . . . . . . . . 5977 1 71 . 1 1 9 9 TYR HD1 H 1 7.283 0.015 . 1 . . . . . . . . 5977 1 72 . 1 1 9 9 TYR HE1 H 1 6.858 0.015 . 1 . . . . . . . . 5977 1 73 . 1 1 9 9 TYR CD1 C 13 129.587 0.2 . 1 . . . . . . . . 5977 1 74 . 1 1 9 9 TYR CE2 C 13 115.719 0.2 . 1 . . . . . . . . 5977 1 75 . 1 1 9 9 TYR C C 13 177.823 0.2 . 1 . . . . . . . . 5977 1 76 . 1 1 10 10 THR N N 15 114.404 0.1 . 1 . . . . . . . . 5977 1 77 . 1 1 10 10 THR H H 1 9.513 0.015 . 1 . . . . . . . . 5977 1 78 . 1 1 10 10 THR CA C 13 61.241 0.2 . 1 . . . . . . . . 5977 1 79 . 1 1 10 10 THR HA H 1 4.730 0.002 . 1 . . . . . . . . 5977 1 80 . 1 1 10 10 THR CB C 13 71.166 0.2 . 1 . . . . . . . . 5977 1 81 . 1 1 10 10 THR HB H 1 4.924 0.015 . 1 . . . . . . . . 5977 1 82 . 1 1 10 10 THR HG21 H 1 1.513 0.015 . 1 . . . . . . . . 5977 1 83 . 1 1 10 10 THR HG22 H 1 1.513 0.015 . 1 . . . . . . . . 5977 1 84 . 1 1 10 10 THR HG23 H 1 1.513 0.015 . 1 . . . . . . . . 5977 1 85 . 1 1 10 10 THR CG2 C 13 21.774 0.2 . 1 . . . . . . . . 5977 1 86 . 1 1 10 10 THR C C 13 175.378 0.2 . 1 . . . . . . . . 5977 1 87 . 1 1 11 11 ASP N N 15 121.790 0.1 . 1 . . . . . . . . 5977 1 88 . 1 1 11 11 ASP H H 1 9.011 0.015 . 1 . . . . . . . . 5977 1 89 . 1 1 11 11 ASP CA C 13 58.641 0.2 . 1 . . . . . . . . 5977 1 90 . 1 1 11 11 ASP HA H 1 4.232 0.003 . 1 . . . . . . . . 5977 1 91 . 1 1 11 11 ASP CB C 13 39.735 0.2 . 1 . . . . . . . . 5977 1 92 . 1 1 11 11 ASP HB2 H 1 2.689 0.018 . 1 . . . . . . . . 5977 1 93 . 1 1 11 11 ASP HB3 H 1 2.811 0.001 . 1 . . . . . . . . 5977 1 94 . 1 1 11 11 ASP C C 13 178.332 0.2 . 1 . . . . . . . . 5977 1 95 . 1 1 12 12 GLU N N 15 118.101 0.1 . 1 . . . . . . . . 5977 1 96 . 1 1 12 12 GLU H H 1 8.564 0.015 . 1 . . . . . . . . 5977 1 97 . 1 1 12 12 GLU CA C 13 60.059 0.2 . 1 . . . . . . . . 5977 1 98 . 1 1 12 12 GLU HA H 1 4.039 0.002 . 1 . . . . . . . . 5977 1 99 . 1 1 12 12 GLU CB C 13 29.573 0.2 . 1 . . . . . . . . 5977 1 100 . 1 1 12 12 GLU HB2 H 1 2.049 0.015 . 1 . . . . . . . . 5977 1 101 . 1 1 12 12 GLU HB3 H 1 2.158 0.001 . 1 . . . . . . . . 5977 1 102 . 1 1 12 12 GLU CG C 13 36.426 0.2 . 1 . . . . . . . . 5977 1 103 . 1 1 12 12 GLU HG2 H 1 2.415 0.005 . 1 . . . . . . . . 5977 1 104 . 1 1 12 12 GLU HG3 H 1 2.415 0.005 . 1 . . . . . . . . 5977 1 105 . 1 1 12 12 GLU C C 13 179.200 0.2 . 1 . . . . . . . . 5977 1 106 . 1 1 13 13 GLU N N 15 119.545 0.1 . 1 . . . . . . . . 5977 1 107 . 1 1 13 13 GLU H H 1 7.857 0.015 . 1 . . . . . . . . 5977 1 108 . 1 1 13 13 GLU CA C 13 59.114 0.2 . 1 . . . . . . . . 5977 1 109 . 1 1 13 13 GLU HA H 1 4.131 0.002 . 1 . . . . . . . . 5977 1 110 . 1 1 13 13 GLU CB C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 111 . 1 1 13 13 GLU HB2 H 1 1.974 0.002 . 1 . . . . . . . . 5977 1 112 . 1 1 13 13 GLU HB3 H 1 2.553 0.007 . 1 . . . . . . . . 5977 1 113 . 1 1 13 13 GLU CG C 13 37.608 0.2 . 1 . . . . . . . . 5977 1 114 . 1 1 13 13 GLU HG2 H 1 2.338 0.002 . 1 . . . . . . . . 5977 1 115 . 1 1 13 13 GLU HG3 H 1 2.482 0.001 . 1 . . . . . . . . 5977 1 116 . 1 1 13 13 GLU C C 13 180.796 0.2 . 1 . . . . . . . . 5977 1 117 . 1 1 14 14 LEU N N 15 120.715 0.1 . 1 . . . . . . . . 5977 1 118 . 1 1 14 14 LEU H H 1 8.681 0.015 . 1 . . . . . . . . 5977 1 119 . 1 1 14 14 LEU CA C 13 58.168 0.2 . 1 . . . . . . . . 5977 1 120 . 1 1 14 14 LEU HA H 1 4.162 0.002 . 1 . . . . . . . . 5977 1 121 . 1 1 14 14 LEU CB C 13 42.334 0.2 . 1 . . . . . . . . 5977 1 122 . 1 1 14 14 LEU HB2 H 1 1.428 0.004 . 1 . . . . . . . . 5977 1 123 . 1 1 14 14 LEU HB3 H 1 2.253 0.004 . 1 . . . . . . . . 5977 1 124 . 1 1 14 14 LEU CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 125 . 1 1 14 14 LEU HG H 1 1.992 0.002 . 1 . . . . . . . . 5977 1 126 . 1 1 14 14 LEU HD11 H 1 1.002 0.025 . 1 . . . . . . . . 5977 1 127 . 1 1 14 14 LEU HD12 H 1 1.002 0.025 . 1 . . . . . . . . 5977 1 128 . 1 1 14 14 LEU HD13 H 1 1.002 0.025 . 1 . . . . . . . . 5977 1 129 . 1 1 14 14 LEU HD21 H 1 1.026 0.015 . 1 . . . . . . . . 5977 1 130 . 1 1 14 14 LEU HD22 H 1 1.026 0.015 . 1 . . . . . . . . 5977 1 131 . 1 1 14 14 LEU HD23 H 1 1.026 0.015 . 1 . . . . . . . . 5977 1 132 . 1 1 14 14 LEU CD1 C 13 26.028 0.2 . 1 . . . . . . . . 5977 1 133 . 1 1 14 14 LEU CD2 C 13 23.901 0.2 . 1 . . . . . . . . 5977 1 134 . 1 1 14 14 LEU C C 13 178.703 0.2 . 1 . . . . . . . . 5977 1 135 . 1 1 15 15 LYS N N 15 119.845 0.1 . 1 . . . . . . . . 5977 1 136 . 1 1 15 15 LYS H H 1 8.461 0.015 . 1 . . . . . . . . 5977 1 137 . 1 1 15 15 LYS CA C 13 60.532 0.2 . 1 . . . . . . . . 5977 1 138 . 1 1 15 15 LYS HA H 1 3.984 0.015 . 1 . . . . . . . . 5977 1 139 . 1 1 15 15 LYS CB C 13 31.936 0.2 . 1 . . . . . . . . 5977 1 140 . 1 1 15 15 LYS HB2 H 1 2.026 0.004 . 1 . . . . . . . . 5977 1 141 . 1 1 15 15 LYS HB3 H 1 2.026 0.004 . 1 . . . . . . . . 5977 1 142 . 1 1 15 15 LYS CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 143 . 1 1 15 15 LYS HG2 H 1 1.492 0.015 . 1 . . . . . . . . 5977 1 144 . 1 1 15 15 LYS HG3 H 1 1.878 0.003 . 1 . . . . . . . . 5977 1 145 . 1 1 15 15 LYS CD C 13 29.573 0.2 . 1 . . . . . . . . 5977 1 146 . 1 1 15 15 LYS HD2 H 1 1.770 0.005 . 1 . . . . . . . . 5977 1 147 . 1 1 15 15 LYS HD3 H 1 1.770 0.005 . 1 . . . . . . . . 5977 1 148 . 1 1 15 15 LYS CE C 13 41.862 0.2 . 1 . . . . . . . . 5977 1 149 . 1 1 15 15 LYS HE2 H 1 2.984 0.014 . 1 . . . . . . . . 5977 1 150 . 1 1 15 15 LYS HE3 H 1 2.984 0.014 . 1 . . . . . . . . 5977 1 151 . 1 1 15 15 LYS C C 13 179.630 0.2 . 1 . . . . . . . . 5977 1 152 . 1 1 16 16 ASN N N 15 118.741 0.1 . 1 . . . . . . . . 5977 1 153 . 1 1 16 16 ASN H H 1 8.154 0.015 . 1 . . . . . . . . 5977 1 154 . 1 1 16 16 ASN CA C 13 56.278 0.2 . 1 . . . . . . . . 5977 1 155 . 1 1 16 16 ASN HA H 1 4.607 0.003 . 1 . . . . . . . . 5977 1 156 . 1 1 16 16 ASN CB C 13 38.081 0.2 . 1 . . . . . . . . 5977 1 157 . 1 1 16 16 ASN HB2 H 1 2.961 0.003 . 1 . . . . . . . . 5977 1 158 . 1 1 16 16 ASN HB3 H 1 2.961 0.003 . 1 . . . . . . . . 5977 1 159 . 1 1 16 16 ASN C C 13 178.105 0.2 . 1 . . . . . . . . 5977 1 160 . 1 1 17 17 LEU N N 15 123.507 0.1 . 1 . . . . . . . . 5977 1 161 . 1 1 17 17 LEU H H 1 8.298 0.015 . 1 . . . . . . . . 5977 1 162 . 1 1 17 17 LEU CA C 13 57.696 0.2 . 1 . . . . . . . . 5977 1 163 . 1 1 17 17 LEU HA H 1 3.990 0.015 . 1 . . . . . . . . 5977 1 164 . 1 1 17 17 LEU CB C 13 42.334 0.2 . 1 . . . . . . . . 5977 1 165 . 1 1 17 17 LEU HB2 H 1 1.390 0.002 . 1 . . . . . . . . 5977 1 166 . 1 1 17 17 LEU HB3 H 1 1.822 0.002 . 1 . . . . . . . . 5977 1 167 . 1 1 17 17 LEU CG C 13 26.973 0.2 . 1 . . . . . . . . 5977 1 168 . 1 1 17 17 LEU HG H 1 1.688 0.003 . 1 . . . . . . . . 5977 1 169 . 1 1 17 17 LEU HD11 H 1 0.679 0.001 . 1 . . . . . . . . 5977 1 170 . 1 1 17 17 LEU HD12 H 1 0.679 0.001 . 1 . . . . . . . . 5977 1 171 . 1 1 17 17 LEU HD13 H 1 0.679 0.001 . 1 . . . . . . . . 5977 1 172 . 1 1 17 17 LEU HD21 H 1 0.800 0.001 . 1 . . . . . . . . 5977 1 173 . 1 1 17 17 LEU HD22 H 1 0.800 0.001 . 1 . . . . . . . . 5977 1 174 . 1 1 17 17 LEU HD23 H 1 0.800 0.001 . 1 . . . . . . . . 5977 1 175 . 1 1 17 17 LEU CD1 C 13 23.428 0.2 . 1 . . . . . . . . 5977 1 176 . 1 1 17 17 LEU CD2 C 13 25.792 0.2 . 1 . . . . . . . . 5977 1 177 . 1 1 17 17 LEU C C 13 178.702 0.2 . 1 . . . . . . . . 5977 1 178 . 1 1 18 18 LEU N N 15 120.105 0.1 . 1 . . . . . . . . 5977 1 179 . 1 1 18 18 LEU H H 1 8.679 0.015 . 1 . . . . . . . . 5977 1 180 . 1 1 18 18 LEU CA C 13 58.641 0.2 . 1 . . . . . . . . 5977 1 181 . 1 1 18 18 LEU HA H 1 3.991 0.001 . 1 . . . . . . . . 5977 1 182 . 1 1 18 18 LEU CB C 13 41.389 0.2 . 1 . . . . . . . . 5977 1 183 . 1 1 18 18 LEU HB2 H 1 1.778 0.001 . 1 . . . . . . . . 5977 1 184 . 1 1 18 18 LEU HB3 H 1 2.286 0.002 . 1 . . . . . . . . 5977 1 185 . 1 1 18 18 LEU CG C 13 26.973 0.2 . 1 . . . . . . . . 5977 1 186 . 1 1 18 18 LEU HG H 1 1.659 0.014 . 1 . . . . . . . . 5977 1 187 . 1 1 18 18 LEU HD11 H 1 1.020 0.009 . 1 . . . . . . . . 5977 1 188 . 1 1 18 18 LEU HD12 H 1 1.020 0.009 . 1 . . . . . . . . 5977 1 189 . 1 1 18 18 LEU HD13 H 1 1.020 0.009 . 1 . . . . . . . . 5977 1 190 . 1 1 18 18 LEU HD21 H 1 1.031 0.015 . 1 . . . . . . . . 5977 1 191 . 1 1 18 18 LEU HD22 H 1 1.031 0.015 . 1 . . . . . . . . 5977 1 192 . 1 1 18 18 LEU HD23 H 1 1.031 0.015 . 1 . . . . . . . . 5977 1 193 . 1 1 18 18 LEU CD1 C 13 25.792 0.2 . 1 . . . . . . . . 5977 1 194 . 1 1 18 18 LEU CD2 C 13 23.428 0.2 . 1 . . . . . . . . 5977 1 195 . 1 1 18 18 LEU C C 13 178.514 0.2 . 1 . . . . . . . . 5977 1 196 . 1 1 19 19 GLU N N 15 116.895 0.1 . 1 . . . . . . . . 5977 1 197 . 1 1 19 19 GLU H H 1 7.757 0.015 . 1 . . . . . . . . 5977 1 198 . 1 1 19 19 GLU CA C 13 59.114 0.2 . 1 . . . . . . . . 5977 1 199 . 1 1 19 19 GLU HA H 1 4.149 0.002 . 1 . . . . . . . . 5977 1 200 . 1 1 19 19 GLU CB C 13 28.864 0.2 . 1 . . . . . . . . 5977 1 201 . 1 1 19 19 GLU HB2 H 1 2.280 0.015 . 1 . . . . . . . . 5977 1 202 . 1 1 19 19 GLU HB3 H 1 2.280 0.015 . 1 . . . . . . . . 5977 1 203 . 1 1 19 19 GLU CG C 13 35.717 0.2 . 1 . . . . . . . . 5977 1 204 . 1 1 19 19 GLU HG2 H 1 2.553 0.015 . 1 . . . . . . . . 5977 1 205 . 1 1 19 19 GLU HG3 H 1 2.553 0.015 . 1 . . . . . . . . 5977 1 206 . 1 1 19 19 GLU C C 13 179.216 0.2 . 1 . . . . . . . . 5977 1 207 . 1 1 20 20 GLU N N 15 121.175 0.1 . 1 . . . . . . . . 5977 1 208 . 1 1 20 20 GLU H H 1 8.113 0.015 . 1 . . . . . . . . 5977 1 209 . 1 1 20 20 GLU CA C 13 59.350 0.2 . 1 . . . . . . . . 5977 1 210 . 1 1 20 20 GLU HA H 1 4.212 0.003 . 1 . . . . . . . . 5977 1 211 . 1 1 20 20 GLU CB C 13 29.336 0.2 . 1 . . . . . . . . 5977 1 212 . 1 1 20 20 GLU HB2 H 1 2.354 0.011 . 1 . . . . . . . . 5977 1 213 . 1 1 20 20 GLU HB3 H 1 2.354 0.011 . 1 . . . . . . . . 5977 1 214 . 1 1 20 20 GLU CG C 13 35.954 0.2 . 1 . . . . . . . . 5977 1 215 . 1 1 20 20 GLU HG2 H 1 2.363 0.001 . 1 . . . . . . . . 5977 1 216 . 1 1 20 20 GLU HG3 H 1 2.363 0.001 . 1 . . . . . . . . 5977 1 217 . 1 1 20 20 GLU C C 13 179.700 0.2 . 1 . . . . . . . . 5977 1 218 . 1 1 21 21 LYS N N 15 119.612 0.1 . 1 . . . . . . . . 5977 1 219 . 1 1 21 21 LYS H H 1 8.832 0.015 . 1 . . . . . . . . 5977 1 220 . 1 1 21 21 LYS CA C 13 58.168 0.2 . 1 . . . . . . . . 5977 1 221 . 1 1 21 21 LYS HA H 1 4.231 0.002 . 1 . . . . . . . . 5977 1 222 . 1 1 21 21 LYS CB C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 223 . 1 1 21 21 LYS HB2 H 1 1.725 0.010 . 1 . . . . . . . . 5977 1 224 . 1 1 21 21 LYS HB3 H 1 2.205 0.002 . 1 . . . . . . . . 5977 1 225 . 1 1 21 21 LYS CG C 13 25.319 0.2 . 1 . . . . . . . . 5977 1 226 . 1 1 21 21 LYS HG2 H 1 1.447 0.001 . 1 . . . . . . . . 5977 1 227 . 1 1 21 21 LYS HG3 H 1 1.756 0.001 . 1 . . . . . . . . 5977 1 228 . 1 1 21 21 LYS CD C 13 28.627 0.2 . 1 . . . . . . . . 5977 1 229 . 1 1 21 21 LYS HD2 H 1 1.972 0.004 . 1 . . . . . . . . 5977 1 230 . 1 1 21 21 LYS HD3 H 1 1.972 0.004 . 1 . . . . . . . . 5977 1 231 . 1 1 21 21 LYS CE C 13 42.571 0.2 . 1 . . . . . . . . 5977 1 232 . 1 1 21 21 LYS HE2 H 1 2.999 0.009 . 1 . . . . . . . . 5977 1 233 . 1 1 21 21 LYS HE3 H 1 2.999 0.009 . 1 . . . . . . . . 5977 1 234 . 1 1 21 21 LYS C C 13 178.703 0.2 . 1 . . . . . . . . 5977 1 235 . 1 1 22 22 LYS N N 15 119.791 0.1 . 1 . . . . . . . . 5977 1 236 . 1 1 22 22 LYS H H 1 8.654 0.015 . 1 . . . . . . . . 5977 1 237 . 1 1 22 22 LYS CA C 13 59.251 0.2 . 1 . . . . . . . . 5977 1 238 . 1 1 22 22 LYS HA H 1 4.131 0.015 . 1 . . . . . . . . 5977 1 239 . 1 1 22 22 LYS CB C 13 29.930 0.2 . 1 . . . . . . . . 5977 1 240 . 1 1 22 22 LYS HB2 H 1 2.160 0.015 . 1 . . . . . . . . 5977 1 241 . 1 1 22 22 LYS HB3 H 1 2.160 0.015 . 1 . . . . . . . . 5977 1 242 . 1 1 23 23 ARG N N 15 121.177 0.1 . 1 . . . . . . . . 5977 1 243 . 1 1 23 23 ARG H H 1 8.045 0.015 . 1 . . . . . . . . 5977 1 244 . 1 1 23 23 ARG CA C 13 59.823 0.2 . 1 . . . . . . . . 5977 1 245 . 1 1 23 23 ARG HA H 1 4.194 0.002 . 1 . . . . . . . . 5977 1 246 . 1 1 23 23 ARG CB C 13 29.809 0.2 . 1 . . . . . . . . 5977 1 247 . 1 1 23 23 ARG HB2 H 1 2.128 0.003 . 1 . . . . . . . . 5977 1 248 . 1 1 23 23 ARG HB3 H 1 2.128 0.003 . 1 . . . . . . . . 5977 1 249 . 1 1 23 23 ARG CG C 13 27.682 0.2 . 1 . . . . . . . . 5977 1 250 . 1 1 23 23 ARG HG2 H 1 1.713 0.015 . 1 . . . . . . . . 5977 1 251 . 1 1 23 23 ARG HG3 H 1 1.944 0.002 . 1 . . . . . . . . 5977 1 252 . 1 1 23 23 ARG CD C 13 43.516 0.2 . 1 . . . . . . . . 5977 1 253 . 1 1 23 23 ARG HD2 H 1 3.348 0.003 . 1 . . . . . . . . 5977 1 254 . 1 1 23 23 ARG HD3 H 1 3.348 0.003 . 1 . . . . . . . . 5977 1 255 . 1 1 23 23 ARG C C 13 179.325 0.2 . 1 . . . . . . . . 5977 1 256 . 1 1 24 24 GLN N N 15 120.643 0.1 . 1 . . . . . . . . 5977 1 257 . 1 1 24 24 GLN H H 1 8.439 0.015 . 1 . . . . . . . . 5977 1 258 . 1 1 24 24 GLN CA C 13 59.114 0.2 . 1 . . . . . . . . 5977 1 259 . 1 1 24 24 GLN HA H 1 4.209 0.003 . 1 . . . . . . . . 5977 1 260 . 1 1 24 24 GLN CB C 13 28.155 0.2 . 1 . . . . . . . . 5977 1 261 . 1 1 24 24 GLN HB2 H 1 2.303 0.015 . 1 . . . . . . . . 5977 1 262 . 1 1 24 24 GLN HB3 H 1 2.386 0.001 . 1 . . . . . . . . 5977 1 263 . 1 1 24 24 GLN CG C 13 33.827 0.2 . 1 . . . . . . . . 5977 1 264 . 1 1 24 24 GLN HG2 H 1 2.451 0.015 . 1 . . . . . . . . 5977 1 265 . 1 1 24 24 GLN HG3 H 1 2.714 0.002 . 1 . . . . . . . . 5977 1 266 . 1 1 24 24 GLN C C 13 179.135 0.2 . 1 . . . . . . . . 5977 1 267 . 1 1 25 25 LEU N N 15 120.008 0.1 . 1 . . . . . . . . 5977 1 268 . 1 1 25 25 LEU H H 1 8.640 0.015 . 1 . . . . . . . . 5977 1 269 . 1 1 25 25 LEU CA C 13 58.641 0.2 . 1 . . . . . . . . 5977 1 270 . 1 1 25 25 LEU HA H 1 4.179 0.005 . 1 . . . . . . . . 5977 1 271 . 1 1 25 25 LEU CB C 13 41.389 0.2 . 1 . . . . . . . . 5977 1 272 . 1 1 25 25 LEU HB2 H 1 1.640 0.007 . 1 . . . . . . . . 5977 1 273 . 1 1 25 25 LEU HB3 H 1 2.205 0.003 . 1 . . . . . . . . 5977 1 274 . 1 1 25 25 LEU CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 275 . 1 1 25 25 LEU HG H 1 1.700 0.015 . 1 . . . . . . . . 5977 1 276 . 1 1 25 25 LEU HD11 H 1 1.049 0.041 . 1 . . . . . . . . 5977 1 277 . 1 1 25 25 LEU HD12 H 1 1.049 0.041 . 1 . . . . . . . . 5977 1 278 . 1 1 25 25 LEU HD13 H 1 1.049 0.041 . 1 . . . . . . . . 5977 1 279 . 1 1 25 25 LEU HD21 H 1 1.086 0.003 . 1 . . . . . . . . 5977 1 280 . 1 1 25 25 LEU HD22 H 1 1.086 0.003 . 1 . . . . . . . . 5977 1 281 . 1 1 25 25 LEU HD23 H 1 1.086 0.003 . 1 . . . . . . . . 5977 1 282 . 1 1 25 25 LEU CD1 C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 283 . 1 1 25 25 LEU CD2 C 13 24.610 0.2 . 1 . . . . . . . . 5977 1 284 . 1 1 25 25 LEU C C 13 178.186 0.2 . 1 . . . . . . . . 5977 1 285 . 1 1 26 26 MET N N 15 117.398 0.1 . 1 . . . . . . . . 5977 1 286 . 1 1 26 26 MET H H 1 7.798 0.015 . 1 . . . . . . . . 5977 1 287 . 1 1 26 26 MET CA C 13 58.877 0.2 . 1 . . . . . . . . 5977 1 288 . 1 1 26 26 MET HA H 1 4.224 0.015 . 1 . . . . . . . . 5977 1 289 . 1 1 26 26 MET CB C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 290 . 1 1 26 26 MET HB2 H 1 2.364 0.001 . 1 . . . . . . . . 5977 1 291 . 1 1 26 26 MET HB3 H 1 2.727 0.005 . 1 . . . . . . . . 5977 1 292 . 1 1 26 26 MET CG C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 293 . 1 1 26 26 MET HG2 H 1 2.832 0.002 . 1 . . . . . . . . 5977 1 294 . 1 1 26 26 MET HG3 H 1 2.832 0.002 . 1 . . . . . . . . 5977 1 295 . 1 1 27 27 GLU N N 15 121.161 0.1 . 1 . . . . . . . . 5977 1 296 . 1 1 27 27 GLU H H 1 8.104 0.015 . 1 . . . . . . . . 5977 1 297 . 1 1 27 27 GLU CA C 13 59.823 0.2 . 1 . . . . . . . . 5977 1 298 . 1 1 27 27 GLU HA H 1 4.327 0.002 . 1 . . . . . . . . 5977 1 299 . 1 1 27 27 GLU CB C 13 29.336 0.2 . 1 . . . . . . . . 5977 1 300 . 1 1 27 27 GLU HB2 H 1 2.293 0.008 . 1 . . . . . . . . 5977 1 301 . 1 1 27 27 GLU HB3 H 1 2.293 0.008 . 1 . . . . . . . . 5977 1 302 . 1 1 27 27 GLU CG C 13 36.190 0.2 . 1 . . . . . . . . 5977 1 303 . 1 1 27 27 GLU HG2 H 1 2.412 0.005 . 1 . . . . . . . . 5977 1 304 . 1 1 27 27 GLU HG3 H 1 2.536 0.006 . 1 . . . . . . . . 5977 1 305 . 1 1 27 27 GLU C C 13 179.548 0.2 . 1 . . . . . . . . 5977 1 306 . 1 1 28 28 LEU N N 15 120.327 0.1 . 1 . . . . . . . . 5977 1 307 . 1 1 28 28 LEU H H 1 8.783 0.015 . 1 . . . . . . . . 5977 1 308 . 1 1 28 28 LEU CA C 13 58.168 0.2 . 1 . . . . . . . . 5977 1 309 . 1 1 28 28 LEU HA H 1 4.203 0.015 . 1 . . . . . . . . 5977 1 310 . 1 1 28 28 LEU CB C 13 43.043 0.2 . 1 . . . . . . . . 5977 1 311 . 1 1 28 28 LEU HB2 H 1 1.372 0.015 . 1 . . . . . . . . 5977 1 312 . 1 1 28 28 LEU HB3 H 1 2.155 0.006 . 1 . . . . . . . . 5977 1 313 . 1 1 28 28 LEU CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 314 . 1 1 28 28 LEU HG H 1 2.138 0.002 . 1 . . . . . . . . 5977 1 315 . 1 1 28 28 LEU HD11 H 1 0.863 0.005 . 1 . . . . . . . . 5977 1 316 . 1 1 28 28 LEU HD12 H 1 0.863 0.005 . 1 . . . . . . . . 5977 1 317 . 1 1 28 28 LEU HD13 H 1 0.863 0.005 . 1 . . . . . . . . 5977 1 318 . 1 1 28 28 LEU HD21 H 1 1.027 0.006 . 1 . . . . . . . . 5977 1 319 . 1 1 28 28 LEU HD22 H 1 1.027 0.006 . 1 . . . . . . . . 5977 1 320 . 1 1 28 28 LEU HD23 H 1 1.027 0.006 . 1 . . . . . . . . 5977 1 321 . 1 1 28 28 LEU CD1 C 13 26.501 0.2 . 1 . . . . . . . . 5977 1 322 . 1 1 28 28 LEU CD2 C 13 23.428 0.2 . 1 . . . . . . . . 5977 1 323 . 1 1 28 28 LEU C C 13 179.914 0.2 . 1 . . . . . . . . 5977 1 324 . 1 1 29 29 ARG N N 15 118.071 0.1 . 1 . . . . . . . . 5977 1 325 . 1 1 29 29 ARG H H 1 8.535 0.015 . 1 . . . . . . . . 5977 1 326 . 1 1 29 29 ARG CA C 13 60.295 0.2 . 1 . . . . . . . . 5977 1 327 . 1 1 29 29 ARG HA H 1 4.028 0.003 . 1 . . . . . . . . 5977 1 328 . 1 1 29 29 ARG CB C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 329 . 1 1 29 29 ARG HB2 H 1 2.055 0.005 . 1 . . . . . . . . 5977 1 330 . 1 1 29 29 ARG HB3 H 1 2.055 0.005 . 1 . . . . . . . . 5977 1 331 . 1 1 29 29 ARG CG C 13 28.627 0.2 . 1 . . . . . . . . 5977 1 332 . 1 1 29 29 ARG HG2 H 1 1.711 0.006 . 1 . . . . . . . . 5977 1 333 . 1 1 29 29 ARG HG3 H 1 2.056 0.005 . 1 . . . . . . . . 5977 1 334 . 1 1 29 29 ARG CD C 13 43.752 0.2 . 1 . . . . . . . . 5977 1 335 . 1 1 29 29 ARG HD2 H 1 3.259 0.005 . 1 . . . . . . . . 5977 1 336 . 1 1 29 29 ARG HD3 H 1 3.259 0.005 . 1 . . . . . . . . 5977 1 337 . 1 1 29 29 ARG C C 13 179.686 0.2 . 1 . . . . . . . . 5977 1 338 . 1 1 30 30 PHE N N 15 122.890 0.1 . 1 . . . . . . . . 5977 1 339 . 1 1 30 30 PHE H H 1 8.156 0.015 . 1 . . . . . . . . 5977 1 340 . 1 1 30 30 PHE CA C 13 61.004 0.2 . 1 . . . . . . . . 5977 1 341 . 1 1 30 30 PHE HA H 1 4.534 0.004 . 1 . . . . . . . . 5977 1 342 . 1 1 30 30 PHE CB C 13 38.553 0.2 . 1 . . . . . . . . 5977 1 343 . 1 1 30 30 PHE HB2 H 1 3.424 0.005 . 1 . . . . . . . . 5977 1 344 . 1 1 30 30 PHE HB3 H 1 3.466 0.004 . 1 . . . . . . . . 5977 1 345 . 1 1 30 30 PHE HD1 H 1 7.419 0.004 . 1 . . . . . . . . 5977 1 346 . 1 1 30 30 PHE HE1 H 1 7.502 0.001 . 1 . . . . . . . . 5977 1 347 . 1 1 30 30 PHE CD1 C 13 129.295 0.2 . 1 . . . . . . . . 5977 1 348 . 1 1 30 30 PHE CE1 C 13 128.959 0.2 . 1 . . . . . . . . 5977 1 349 . 1 1 30 30 PHE CZ C 13 129.090 0.2 . 1 . . . . . . . . 5977 1 350 . 1 1 30 30 PHE HZ H 1 7.459 0.001 . 1 . . . . . . . . 5977 1 351 . 1 1 30 30 PHE C C 13 177.544 0.2 . 1 . . . . . . . . 5977 1 352 . 1 1 31 31 GLN N N 15 118.544 0.1 . 1 . . . . . . . . 5977 1 353 . 1 1 31 31 GLN H H 1 8.464 0.015 . 1 . . . . . . . . 5977 1 354 . 1 1 31 31 GLN CA C 13 59.114 0.2 . 1 . . . . . . . . 5977 1 355 . 1 1 31 31 GLN HA H 1 3.931 0.003 . 1 . . . . . . . . 5977 1 356 . 1 1 31 31 GLN CB C 13 28.864 0.2 . 1 . . . . . . . . 5977 1 357 . 1 1 31 31 GLN HB2 H 1 2.044 0.015 . 1 . . . . . . . . 5977 1 358 . 1 1 31 31 GLN HB3 H 1 2.375 0.002 . 1 . . . . . . . . 5977 1 359 . 1 1 31 31 GLN CG C 13 34.063 0.2 . 1 . . . . . . . . 5977 1 360 . 1 1 31 31 GLN HG2 H 1 2.592 0.015 . 1 . . . . . . . . 5977 1 361 . 1 1 31 31 GLN HG3 H 1 2.879 0.015 . 1 . . . . . . . . 5977 1 362 . 1 1 31 31 GLN C C 13 179.635 0.2 . 1 . . . . . . . . 5977 1 363 . 1 1 32 32 LEU N N 15 121.899 0.1 . 1 . . . . . . . . 5977 1 364 . 1 1 32 32 LEU H H 1 8.652 0.015 . 1 . . . . . . . . 5977 1 365 . 1 1 32 32 LEU CA C 13 58.168 0.2 . 1 . . . . . . . . 5977 1 366 . 1 1 32 32 LEU HA H 1 4.313 0.015 . 1 . . . . . . . . 5977 1 367 . 1 1 32 32 LEU CB C 13 42.334 0.2 . 1 . . . . . . . . 5977 1 368 . 1 1 32 32 LEU HB2 H 1 1.707 0.001 . 1 . . . . . . . . 5977 1 369 . 1 1 32 32 LEU HB3 H 1 2.147 0.002 . 1 . . . . . . . . 5977 1 370 . 1 1 32 32 LEU CG C 13 26.973 0.2 . 1 . . . . . . . . 5977 1 371 . 1 1 32 32 LEU HG H 1 1.704 0.010 . 1 . . . . . . . . 5977 1 372 . 1 1 32 32 LEU HD11 H 1 1.030 0.003 . 1 . . . . . . . . 5977 1 373 . 1 1 32 32 LEU HD12 H 1 1.030 0.003 . 1 . . . . . . . . 5977 1 374 . 1 1 32 32 LEU HD13 H 1 1.030 0.003 . 1 . . . . . . . . 5977 1 375 . 1 1 32 32 LEU HD21 H 1 1.017 0.011 . 1 . . . . . . . . 5977 1 376 . 1 1 32 32 LEU HD22 H 1 1.017 0.011 . 1 . . . . . . . . 5977 1 377 . 1 1 32 32 LEU HD23 H 1 1.017 0.011 . 1 . . . . . . . . 5977 1 378 . 1 1 32 32 LEU CD1 C 13 24.137 0.2 . 1 . . . . . . . . 5977 1 379 . 1 1 32 32 LEU CD2 C 13 26.028 0.2 . 1 . . . . . . . . 5977 1 380 . 1 1 32 32 LEU C C 13 180.355 0.2 . 1 . . . . . . . . 5977 1 381 . 1 1 33 33 ALA N N 15 123.681 0.1 . 1 . . . . . . . . 5977 1 382 . 1 1 33 33 ALA H H 1 8.063 0.015 . 1 . . . . . . . . 5977 1 383 . 1 1 33 33 ALA CA C 13 54.860 0.2 . 1 . . . . . . . . 5977 1 384 . 1 1 33 33 ALA HA H 1 4.205 0.015 . 1 . . . . . . . . 5977 1 385 . 1 1 33 33 ALA HB1 H 1 1.612 0.002 . 1 . . . . . . . . 5977 1 386 . 1 1 33 33 ALA HB2 H 1 1.612 0.002 . 1 . . . . . . . . 5977 1 387 . 1 1 33 33 ALA HB3 H 1 1.612 0.002 . 1 . . . . . . . . 5977 1 388 . 1 1 33 33 ALA CB C 13 17.756 0.2 . 1 . . . . . . . . 5977 1 389 . 1 1 33 33 ALA C C 13 179.575 0.2 . 1 . . . . . . . . 5977 1 390 . 1 1 34 34 MET N N 15 113.529 0.1 . 1 . . . . . . . . 5977 1 391 . 1 1 34 34 MET H H 1 7.618 0.015 . 1 . . . . . . . . 5977 1 392 . 1 1 34 34 MET CA C 13 54.624 0.2 . 1 . . . . . . . . 5977 1 393 . 1 1 34 34 MET HA H 1 4.615 0.002 . 1 . . . . . . . . 5977 1 394 . 1 1 34 34 MET CB C 13 32.645 0.2 . 1 . . . . . . . . 5977 1 395 . 1 1 34 34 MET HB2 H 1 1.963 0.003 . 1 . . . . . . . . 5977 1 396 . 1 1 34 34 MET HB3 H 1 2.202 0.001 . 1 . . . . . . . . 5977 1 397 . 1 1 34 34 MET CG C 13 32.172 0.2 . 1 . . . . . . . . 5977 1 398 . 1 1 34 34 MET HG2 H 1 2.201 0.002 . 1 . . . . . . . . 5977 1 399 . 1 1 34 34 MET HG3 H 1 2.351 0.002 . 1 . . . . . . . . 5977 1 400 . 1 1 34 34 MET C C 13 177.138 0.2 . 1 . . . . . . . . 5977 1 401 . 1 1 35 35 GLY N N 15 108.623 0.1 . 1 . . . . . . . . 5977 1 402 . 1 1 35 35 GLY H H 1 8.021 0.015 . 1 . . . . . . . . 5977 1 403 . 1 1 35 35 GLY CA C 13 46.116 0.2 . 1 . . . . . . . . 5977 1 404 . 1 1 35 35 GLY HA2 H 1 4.014 0.003 . 1 . . . . . . . . 5977 1 405 . 1 1 35 35 GLY HA3 H 1 4.260 0.001 . 1 . . . . . . . . 5977 1 406 . 1 1 35 35 GLY C C 13 175.285 0.2 . 1 . . . . . . . . 5977 1 407 . 1 1 36 36 GLN N N 15 117.144 0.1 . 1 . . . . . . . . 5977 1 408 . 1 1 36 36 GLN H H 1 8.144 0.015 . 1 . . . . . . . . 5977 1 409 . 1 1 36 36 GLN CA C 13 55.569 0.2 . 1 . . . . . . . . 5977 1 410 . 1 1 36 36 GLN HA H 1 4.468 0.015 . 1 . . . . . . . . 5977 1 411 . 1 1 36 36 GLN CB C 13 29.573 0.2 . 1 . . . . . . . . 5977 1 412 . 1 1 36 36 GLN HB2 H 1 1.881 0.001 . 1 . . . . . . . . 5977 1 413 . 1 1 36 36 GLN HB3 H 1 2.347 0.012 . 1 . . . . . . . . 5977 1 414 . 1 1 36 36 GLN CG C 13 33.590 0.2 . 1 . . . . . . . . 5977 1 415 . 1 1 36 36 GLN HG2 H 1 2.361 0.002 . 1 . . . . . . . . 5977 1 416 . 1 1 36 36 GLN HG3 H 1 2.361 0.002 . 1 . . . . . . . . 5977 1 417 . 1 1 36 36 GLN C C 13 175.573 0.2 . 1 . . . . . . . . 5977 1 418 . 1 1 37 37 LEU N N 15 121.235 0.1 . 1 . . . . . . . . 5977 1 419 . 1 1 37 37 LEU H H 1 7.453 0.015 . 1 . . . . . . . . 5977 1 420 . 1 1 37 37 LEU CA C 13 54.624 0.2 . 1 . . . . . . . . 5977 1 421 . 1 1 37 37 LEU HA H 1 4.553 0.003 . 1 . . . . . . . . 5977 1 422 . 1 1 37 37 LEU CB C 13 43.043 0.2 . 1 . . . . . . . . 5977 1 423 . 1 1 37 37 LEU HB2 H 1 1.370 0.003 . 1 . . . . . . . . 5977 1 424 . 1 1 37 37 LEU HB3 H 1 1.809 0.001 . 1 . . . . . . . . 5977 1 425 . 1 1 37 37 LEU CG C 13 27.446 0.2 . 1 . . . . . . . . 5977 1 426 . 1 1 37 37 LEU HG H 1 1.457 0.004 . 1 . . . . . . . . 5977 1 427 . 1 1 37 37 LEU HD11 H 1 1.108 0.005 . 1 . . . . . . . . 5977 1 428 . 1 1 37 37 LEU HD12 H 1 1.108 0.005 . 1 . . . . . . . . 5977 1 429 . 1 1 37 37 LEU HD13 H 1 1.108 0.005 . 1 . . . . . . . . 5977 1 430 . 1 1 37 37 LEU HD21 H 1 1.267 0.185 . 1 . . . . . . . . 5977 1 431 . 1 1 37 37 LEU HD22 H 1 1.267 0.185 . 1 . . . . . . . . 5977 1 432 . 1 1 37 37 LEU HD23 H 1 1.267 0.185 . 1 . . . . . . . . 5977 1 433 . 1 1 37 37 LEU CD1 C 13 26.264 0.2 . 1 . . . . . . . . 5977 1 434 . 1 1 37 37 LEU CD2 C 13 27.682 0.2 . 1 . . . . . . . . 5977 1 435 . 1 1 40 40 THR CA C 13 64.077 0.2 . 1 . . . . . . . . 5977 1 436 . 1 1 40 40 THR HA H 1 4.127 0.003 . 1 . . . . . . . . 5977 1 437 . 1 1 40 40 THR CB C 13 68.567 0.2 . 1 . . . . . . . . 5977 1 438 . 1 1 40 40 THR HB H 1 4.583 0.001 . 1 . . . . . . . . 5977 1 439 . 1 1 40 40 THR HG21 H 1 1.380 0.015 . 1 . . . . . . . . 5977 1 440 . 1 1 40 40 THR HG22 H 1 1.380 0.015 . 1 . . . . . . . . 5977 1 441 . 1 1 40 40 THR HG23 H 1 1.380 0.015 . 1 . . . . . . . . 5977 1 442 . 1 1 40 40 THR CG2 C 13 22.483 0.2 . 1 . . . . . . . . 5977 1 443 . 1 1 41 41 SER CA C 13 62.422 0.2 . 1 . . . . . . . . 5977 1 444 . 1 1 41 41 SER HA H 1 4.336 0.002 . 1 . . . . . . . . 5977 1 445 . 1 1 41 41 SER CB C 13 62.659 0.2 . 1 . . . . . . . . 5977 1 446 . 1 1 41 41 SER HB2 H 1 4.102 0.003 . 1 . . . . . . . . 5977 1 447 . 1 1 41 41 SER C C 13 175.969 0.2 . 1 . . . . . . . . 5977 1 448 . 1 1 42 42 LEU N N 15 120.226 0.1 . 1 . . . . . . . . 5977 1 449 . 1 1 42 42 LEU H H 1 7.952 0.015 . 1 . . . . . . . . 5977 1 450 . 1 1 42 42 LEU CA C 13 57.696 0.2 . 1 . . . . . . . . 5977 1 451 . 1 1 42 42 LEU HA H 1 4.260 0.005 . 1 . . . . . . . . 5977 1 452 . 1 1 42 42 LEU CB C 13 42.334 0.2 . 1 . . . . . . . . 5977 1 453 . 1 1 42 42 LEU HB2 H 1 1.703 0.002 . 1 . . . . . . . . 5977 1 454 . 1 1 42 42 LEU HB3 H 1 1.856 0.006 . 1 . . . . . . . . 5977 1 455 . 1 1 42 42 LEU CG C 13 27.210 0.2 . 1 . . . . . . . . 5977 1 456 . 1 1 42 42 LEU HG H 1 1.821 0.001 . 1 . . . . . . . . 5977 1 457 . 1 1 42 42 LEU HD11 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 458 . 1 1 42 42 LEU HD12 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 459 . 1 1 42 42 LEU HD13 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 460 . 1 1 42 42 LEU HD21 H 1 1.119 0.001 . 1 . . . . . . . . 5977 1 461 . 1 1 42 42 LEU HD22 H 1 1.119 0.001 . 1 . . . . . . . . 5977 1 462 . 1 1 42 42 LEU HD23 H 1 1.119 0.001 . 1 . . . . . . . . 5977 1 463 . 1 1 42 42 LEU CD1 C 13 23.192 0.2 . 1 . . . . . . . . 5977 1 464 . 1 1 42 42 LEU CD2 C 13 24.846 0.2 . 1 . . . . . . . . 5977 1 465 . 1 1 42 42 LEU C C 13 180.572 0.2 . 1 . . . . . . . . 5977 1 466 . 1 1 43 43 ILE N N 15 121.824 0.1 . 1 . . . . . . . . 5977 1 467 . 1 1 43 43 ILE H H 1 7.756 0.015 . 1 . . . . . . . . 5977 1 468 . 1 1 43 43 ILE CA C 13 66.204 0.2 . 1 . . . . . . . . 5977 1 469 . 1 1 43 43 ILE HA H 1 3.642 0.003 . 1 . . . . . . . . 5977 1 470 . 1 1 43 43 ILE CB C 13 37.844 0.2 . 1 . . . . . . . . 5977 1 471 . 1 1 43 43 ILE HB H 1 2.137 0.015 . 1 . . . . . . . . 5977 1 472 . 1 1 43 43 ILE HG21 H 1 1.009 0.015 . 1 . . . . . . . . 5977 1 473 . 1 1 43 43 ILE HG22 H 1 1.009 0.015 . 1 . . . . . . . . 5977 1 474 . 1 1 43 43 ILE HG23 H 1 1.009 0.015 . 1 . . . . . . . . 5977 1 475 . 1 1 43 43 ILE CG2 C 13 16.811 0.2 . 1 . . . . . . . . 5977 1 476 . 1 1 43 43 ILE CG1 C 13 31.227 0.2 . 1 . . . . . . . . 5977 1 477 . 1 1 43 43 ILE HG12 H 1 1.071 0.015 . 1 . . . . . . . . 5977 1 478 . 1 1 43 43 ILE HG13 H 1 1.757 0.005 . 1 . . . . . . . . 5977 1 479 . 1 1 43 43 ILE HD11 H 1 0.974 0.002 . 1 . . . . . . . . 5977 1 480 . 1 1 43 43 ILE HD12 H 1 0.974 0.002 . 1 . . . . . . . . 5977 1 481 . 1 1 43 43 ILE HD13 H 1 0.974 0.002 . 1 . . . . . . . . 5977 1 482 . 1 1 43 43 ILE CD1 C 13 13.975 0.2 . 1 . . . . . . . . 5977 1 483 . 1 1 43 43 ILE C C 13 176.819 0.2 . 1 . . . . . . . . 5977 1 484 . 1 1 44 44 LYS N N 15 119.980 0.1 . 1 . . . . . . . . 5977 1 485 . 1 1 44 44 LYS H H 1 7.519 0.015 . 1 . . . . . . . . 5977 1 486 . 1 1 44 44 LYS CA C 13 60.059 0.2 . 1 . . . . . . . . 5977 1 487 . 1 1 44 44 LYS HA H 1 4.029 0.003 . 1 . . . . . . . . 5977 1 488 . 1 1 44 44 LYS CB C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 489 . 1 1 44 44 LYS HB2 H 1 2.049 0.003 . 1 . . . . . . . . 5977 1 490 . 1 1 44 44 LYS HB3 H 1 2.049 0.003 . 1 . . . . . . . . 5977 1 491 . 1 1 44 44 LYS CG C 13 25.083 0.2 . 1 . . . . . . . . 5977 1 492 . 1 1 44 44 LYS HG2 H 1 1.513 0.009 . 1 . . . . . . . . 5977 1 493 . 1 1 44 44 LYS HG3 H 1 1.669 0.001 . 1 . . . . . . . . 5977 1 494 . 1 1 44 44 LYS CD C 13 29.573 0.2 . 1 . . . . . . . . 5977 1 495 . 1 1 44 44 LYS HD2 H 1 1.802 0.006 . 1 . . . . . . . . 5977 1 496 . 1 1 44 44 LYS HD3 H 1 1.802 0.006 . 1 . . . . . . . . 5977 1 497 . 1 1 44 44 LYS CE C 13 42.334 0.2 . 1 . . . . . . . . 5977 1 498 . 1 1 44 44 LYS HE2 H 1 3.059 0.003 . 1 . . . . . . . . 5977 1 499 . 1 1 44 44 LYS HE3 H 1 3.059 0.003 . 1 . . . . . . . . 5977 1 500 . 1 1 44 44 LYS C C 13 179.700 0.2 . 1 . . . . . . . . 5977 1 501 . 1 1 45 45 LEU N N 15 119.195 0.1 . 1 . . . . . . . . 5977 1 502 . 1 1 45 45 LEU H H 1 8.097 0.015 . 1 . . . . . . . . 5977 1 503 . 1 1 45 45 LEU CA C 13 58.405 0.2 . 1 . . . . . . . . 5977 1 504 . 1 1 45 45 LEU HA H 1 4.114 0.008 . 1 . . . . . . . . 5977 1 505 . 1 1 45 45 LEU CB C 13 41.862 0.2 . 1 . . . . . . . . 5977 1 506 . 1 1 45 45 LEU HB2 H 1 1.800 0.001 . 1 . . . . . . . . 5977 1 507 . 1 1 45 45 LEU HB3 H 1 1.871 0.015 . 1 . . . . . . . . 5977 1 508 . 1 1 45 45 LEU CG C 13 26.973 0.2 . 1 . . . . . . . . 5977 1 509 . 1 1 45 45 LEU HG H 1 1.872 0.001 . 1 . . . . . . . . 5977 1 510 . 1 1 45 45 LEU HD11 H 1 0.987 0.004 . 1 . . . . . . . . 5977 1 511 . 1 1 45 45 LEU HD12 H 1 0.987 0.004 . 1 . . . . . . . . 5977 1 512 . 1 1 45 45 LEU HD13 H 1 0.987 0.004 . 1 . . . . . . . . 5977 1 513 . 1 1 45 45 LEU HD21 H 1 0.978 0.004 . 1 . . . . . . . . 5977 1 514 . 1 1 45 45 LEU HD22 H 1 0.978 0.004 . 1 . . . . . . . . 5977 1 515 . 1 1 45 45 LEU HD23 H 1 0.978 0.004 . 1 . . . . . . . . 5977 1 516 . 1 1 45 45 LEU CD1 C 13 24.846 0.2 . 1 . . . . . . . . 5977 1 517 . 1 1 45 45 LEU CD2 C 13 23.428 0.2 . 1 . . . . . . . . 5977 1 518 . 1 1 45 45 LEU C C 13 179.011 0.2 . 1 . . . . . . . . 5977 1 519 . 1 1 46 46 THR N N 15 117.143 0.1 . 1 . . . . . . . . 5977 1 520 . 1 1 46 46 THR H H 1 8.012 0.015 . 1 . . . . . . . . 5977 1 521 . 1 1 46 46 THR CA C 13 68.094 0.2 . 1 . . . . . . . . 5977 1 522 . 1 1 46 46 THR HA H 1 4.096 0.015 . 1 . . . . . . . . 5977 1 523 . 1 1 46 46 THR CB C 13 68.094 0.2 . 1 . . . . . . . . 5977 1 524 . 1 1 46 46 THR HB H 1 4.306 0.003 . 1 . . . . . . . . 5977 1 525 . 1 1 46 46 THR HG21 H 1 1.381 0.001 . 1 . . . . . . . . 5977 1 526 . 1 1 46 46 THR HG22 H 1 1.381 0.001 . 1 . . . . . . . . 5977 1 527 . 1 1 46 46 THR HG23 H 1 1.381 0.001 . 1 . . . . . . . . 5977 1 528 . 1 1 46 46 THR CG2 C 13 22.719 0.2 . 1 . . . . . . . . 5977 1 529 . 1 1 46 46 THR C C 13 176.654 0.2 . 1 . . . . . . . . 5977 1 530 . 1 1 47 47 LYS N N 15 120.779 0.1 . 1 . . . . . . . . 5977 1 531 . 1 1 47 47 LYS H H 1 8.471 0.015 . 1 . . . . . . . . 5977 1 532 . 1 1 47 47 LYS CA C 13 61.004 0.2 . 1 . . . . . . . . 5977 1 533 . 1 1 47 47 LYS HA H 1 3.984 0.015 . 1 . . . . . . . . 5977 1 534 . 1 1 47 47 LYS CB C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 535 . 1 1 47 47 LYS HB2 H 1 2.017 0.015 . 1 . . . . . . . . 5977 1 536 . 1 1 47 47 LYS HB3 H 1 2.017 0.015 . 1 . . . . . . . . 5977 1 537 . 1 1 47 47 LYS CG C 13 26.501 0.2 . 1 . . . . . . . . 5977 1 538 . 1 1 47 47 LYS HG2 H 1 1.497 0.001 . 1 . . . . . . . . 5977 1 539 . 1 1 47 47 LYS HG3 H 1 1.497 0.001 . 1 . . . . . . . . 5977 1 540 . 1 1 47 47 LYS CD C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 541 . 1 1 47 47 LYS HD2 H 1 1.732 0.002 . 1 . . . . . . . . 5977 1 542 . 1 1 47 47 LYS HD3 H 1 1.732 0.002 . 1 . . . . . . . . 5977 1 543 . 1 1 47 47 LYS CE C 13 41.626 0.2 . 1 . . . . . . . . 5977 1 544 . 1 1 47 47 LYS HE2 H 1 2.970 0.015 . 1 . . . . . . . . 5977 1 545 . 1 1 47 47 LYS HE3 H 1 2.970 0.015 . 1 . . . . . . . . 5977 1 546 . 1 1 48 48 ARG CA C 13 59.350 0.2 . 1 . . . . . . . . 5977 1 547 . 1 1 48 48 ARG HA H 1 4.247 0.001 . 1 . . . . . . . . 5977 1 548 . 1 1 48 48 ARG CB C 13 29.336 0.2 . 1 . . . . . . . . 5977 1 549 . 1 1 48 48 ARG HB2 H 1 2.118 0.001 . 1 . . . . . . . . 5977 1 550 . 1 1 48 48 ARG HB3 H 1 2.207 0.003 . 1 . . . . . . . . 5977 1 551 . 1 1 48 48 ARG CG C 13 26.973 0.2 . 1 . . . . . . . . 5977 1 552 . 1 1 48 48 ARG HG2 H 1 1.706 0.015 . 1 . . . . . . . . 5977 1 553 . 1 1 48 48 ARG HG3 H 1 1.996 0.002 . 1 . . . . . . . . 5977 1 554 . 1 1 48 48 ARG CD C 13 43.752 0.2 . 1 . . . . . . . . 5977 1 555 . 1 1 48 48 ARG HD2 H 1 3.299 0.006 . 1 . . . . . . . . 5977 1 556 . 1 1 48 48 ARG HD3 H 1 3.299 0.006 . 1 . . . . . . . . 5977 1 557 . 1 1 48 48 ARG C C 13 178.887 0.2 . 1 . . . . . . . . 5977 1 558 . 1 1 49 49 ASP N N 15 121.703 0.1 . 1 . . . . . . . . 5977 1 559 . 1 1 49 49 ASP H H 1 8.156 0.015 . 1 . . . . . . . . 5977 1 560 . 1 1 49 49 ASP CA C 13 58.168 0.2 . 1 . . . . . . . . 5977 1 561 . 1 1 49 49 ASP HA H 1 4.572 0.002 . 1 . . . . . . . . 5977 1 562 . 1 1 49 49 ASP CB C 13 40.444 0.2 . 1 . . . . . . . . 5977 1 563 . 1 1 49 49 ASP HB2 H 1 2.525 0.019 . 1 . . . . . . . . 5977 1 564 . 1 1 49 49 ASP HB3 H 1 3.091 0.005 . 1 . . . . . . . . 5977 1 565 . 1 1 49 49 ASP C C 13 178.614 0.2 . 1 . . . . . . . . 5977 1 566 . 1 1 50 50 ILE N N 15 120.189 0.1 . 1 . . . . . . . . 5977 1 567 . 1 1 50 50 ILE H H 1 8.235 0.015 . 1 . . . . . . . . 5977 1 568 . 1 1 50 50 ILE CA C 13 66.676 0.2 . 1 . . . . . . . . 5977 1 569 . 1 1 50 50 ILE HA H 1 3.530 0.001 . 1 . . . . . . . . 5977 1 570 . 1 1 50 50 ILE CB C 13 38.553 0.2 . 1 . . . . . . . . 5977 1 571 . 1 1 50 50 ILE HB H 1 1.998 0.005 . 1 . . . . . . . . 5977 1 572 . 1 1 50 50 ILE HG21 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 573 . 1 1 50 50 ILE HG22 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 574 . 1 1 50 50 ILE HG23 H 1 0.984 0.002 . 1 . . . . . . . . 5977 1 575 . 1 1 50 50 ILE CG2 C 13 16.338 0.2 . 1 . . . . . . . . 5977 1 576 . 1 1 50 50 ILE CG1 C 13 31.700 0.2 . 1 . . . . . . . . 5977 1 577 . 1 1 50 50 ILE HG12 H 1 0.907 0.007 . 1 . . . . . . . . 5977 1 578 . 1 1 50 50 ILE HG13 H 1 1.970 0.001 . 1 . . . . . . . . 5977 1 579 . 1 1 50 50 ILE HD11 H 1 0.908 0.015 . 1 . . . . . . . . 5977 1 580 . 1 1 50 50 ILE HD12 H 1 0.908 0.015 . 1 . . . . . . . . 5977 1 581 . 1 1 50 50 ILE HD13 H 1 0.908 0.015 . 1 . . . . . . . . 5977 1 582 . 1 1 50 50 ILE CD1 C 13 14.920 0.2 . 1 . . . . . . . . 5977 1 583 . 1 1 50 50 ILE C C 13 177.074 0.2 . 1 . . . . . . . . 5977 1 584 . 1 1 51 51 ALA N N 15 120.815 0.1 . 1 . . . . . . . . 5977 1 585 . 1 1 51 51 ALA H H 1 7.898 0.015 . 1 . . . . . . . . 5977 1 586 . 1 1 51 51 ALA CA C 13 55.333 0.2 . 1 . . . . . . . . 5977 1 587 . 1 1 51 51 ALA HA H 1 4.185 0.001 . 1 . . . . . . . . 5977 1 588 . 1 1 51 51 ALA HB1 H 1 1.648 0.002 . 1 . . . . . . . . 5977 1 589 . 1 1 51 51 ALA HB2 H 1 1.648 0.002 . 1 . . . . . . . . 5977 1 590 . 1 1 51 51 ALA HB3 H 1 1.648 0.002 . 1 . . . . . . . . 5977 1 591 . 1 1 51 51 ALA CB C 13 17.993 0.2 . 1 . . . . . . . . 5977 1 592 . 1 1 51 51 ALA C C 13 181.105 0.2 . 1 . . . . . . . . 5977 1 593 . 1 1 52 52 ARG N N 15 119.664 0.1 . 1 . . . . . . . . 5977 1 594 . 1 1 52 52 ARG H H 1 8.380 0.015 . 1 . . . . . . . . 5977 1 595 . 1 1 52 52 ARG CA C 13 59.823 0.2 . 1 . . . . . . . . 5977 1 596 . 1 1 52 52 ARG HA H 1 4.165 0.002 . 1 . . . . . . . . 5977 1 597 . 1 1 52 52 ARG CB C 13 30.518 0.2 . 1 . . . . . . . . 5977 1 598 . 1 1 52 52 ARG HB2 H 1 1.956 0.004 . 1 . . . . . . . . 5977 1 599 . 1 1 52 52 ARG HB3 H 1 2.148 0.003 . 1 . . . . . . . . 5977 1 600 . 1 1 52 52 ARG CG C 13 27.682 0.2 . 1 . . . . . . . . 5977 1 601 . 1 1 52 52 ARG HG2 H 1 1.803 0.001 . 1 . . . . . . . . 5977 1 602 . 1 1 52 52 ARG HG3 H 1 2.007 0.015 . 1 . . . . . . . . 5977 1 603 . 1 1 52 52 ARG CD C 13 43.989 0.2 . 1 . . . . . . . . 5977 1 604 . 1 1 52 52 ARG HD2 H 1 3.287 0.001 . 1 . . . . . . . . 5977 1 605 . 1 1 52 52 ARG HD3 H 1 3.287 0.001 . 1 . . . . . . . . 5977 1 606 . 1 1 52 52 ARG C C 13 179.071 0.2 . 1 . . . . . . . . 5977 1 607 . 1 1 53 53 ILE N N 15 120.110 0.1 . 1 . . . . . . . . 5977 1 608 . 1 1 53 53 ILE H H 1 8.407 0.015 . 1 . . . . . . . . 5977 1 609 . 1 1 53 53 ILE CA C 13 66.440 0.2 . 1 . . . . . . . . 5977 1 610 . 1 1 53 53 ILE HA H 1 3.591 0.001 . 1 . . . . . . . . 5977 1 611 . 1 1 53 53 ILE CB C 13 38.317 0.2 . 1 . . . . . . . . 5977 1 612 . 1 1 53 53 ILE HB H 1 1.969 0.015 . 1 . . . . . . . . 5977 1 613 . 1 1 53 53 ILE HG21 H 1 1.054 0.002 . 1 . . . . . . . . 5977 1 614 . 1 1 53 53 ILE HG22 H 1 1.054 0.002 . 1 . . . . . . . . 5977 1 615 . 1 1 53 53 ILE HG23 H 1 1.054 0.002 . 1 . . . . . . . . 5977 1 616 . 1 1 53 53 ILE CG2 C 13 19.647 0.2 . 1 . . . . . . . . 5977 1 617 . 1 1 53 53 ILE CG1 C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 618 . 1 1 53 53 ILE HG12 H 1 0.913 0.015 . 1 . . . . . . . . 5977 1 619 . 1 1 53 53 ILE HG13 H 1 2.111 0.001 . 1 . . . . . . . . 5977 1 620 . 1 1 53 53 ILE HD11 H 1 0.830 0.002 . 1 . . . . . . . . 5977 1 621 . 1 1 53 53 ILE HD12 H 1 0.830 0.002 . 1 . . . . . . . . 5977 1 622 . 1 1 53 53 ILE HD13 H 1 0.830 0.002 . 1 . . . . . . . . 5977 1 623 . 1 1 53 53 ILE CD1 C 13 14.448 0.2 . 1 . . . . . . . . 5977 1 624 . 1 1 53 53 ILE C C 13 177.983 0.2 . 1 . . . . . . . . 5977 1 625 . 1 1 54 54 LYS N N 15 117.817 0.1 . 1 . . . . . . . . 5977 1 626 . 1 1 54 54 LYS H H 1 8.576 0.015 . 1 . . . . . . . . 5977 1 627 . 1 1 54 54 LYS CA C 13 60.768 0.2 . 1 . . . . . . . . 5977 1 628 . 1 1 54 54 LYS HA H 1 3.976 0.002 . 1 . . . . . . . . 5977 1 629 . 1 1 54 54 LYS CB C 13 32.409 0.2 . 1 . . . . . . . . 5977 1 630 . 1 1 54 54 LYS HB2 H 1 2.021 0.002 . 1 . . . . . . . . 5977 1 631 . 1 1 54 54 LYS HB3 H 1 2.021 0.002 . 1 . . . . . . . . 5977 1 632 . 1 1 54 54 LYS CG C 13 26.501 0.2 . 1 . . . . . . . . 5977 1 633 . 1 1 54 54 LYS HG2 H 1 1.496 0.004 . 1 . . . . . . . . 5977 1 634 . 1 1 54 54 LYS HG3 H 1 1.878 0.004 . 1 . . . . . . . . 5977 1 635 . 1 1 54 54 LYS CD C 13 29.809 0.2 . 1 . . . . . . . . 5977 1 636 . 1 1 54 54 LYS HD2 H 1 1.778 0.007 . 1 . . . . . . . . 5977 1 637 . 1 1 54 54 LYS HD3 H 1 1.778 0.007 . 1 . . . . . . . . 5977 1 638 . 1 1 54 54 LYS CE C 13 42.098 0.2 . 1 . . . . . . . . 5977 1 639 . 1 1 54 54 LYS HE2 H 1 2.988 0.010 . 1 . . . . . . . . 5977 1 640 . 1 1 54 54 LYS HE3 H 1 2.988 0.010 . 1 . . . . . . . . 5977 1 641 . 1 1 54 54 LYS C C 13 179.824 0.2 . 1 . . . . . . . . 5977 1 642 . 1 1 55 55 THR N N 15 116.763 0.1 . 1 . . . . . . . . 5977 1 643 . 1 1 55 55 THR H H 1 8.160 0.015 . 1 . . . . . . . . 5977 1 644 . 1 1 55 55 THR CA C 13 67.385 0.2 . 1 . . . . . . . . 5977 1 645 . 1 1 55 55 THR HA H 1 4.041 0.003 . 1 . . . . . . . . 5977 1 646 . 1 1 55 55 THR CB C 13 69.040 0.2 . 1 . . . . . . . . 5977 1 647 . 1 1 55 55 THR HB H 1 4.498 0.003 . 1 . . . . . . . . 5977 1 648 . 1 1 55 55 THR HG21 H 1 1.348 0.002 . 1 . . . . . . . . 5977 1 649 . 1 1 55 55 THR HG22 H 1 1.348 0.002 . 1 . . . . . . . . 5977 1 650 . 1 1 55 55 THR HG23 H 1 1.348 0.002 . 1 . . . . . . . . 5977 1 651 . 1 1 55 55 THR CG2 C 13 21.538 0.2 . 1 . . . . . . . . 5977 1 652 . 1 1 55 55 THR C C 13 175.999 0.2 . 1 . . . . . . . . 5977 1 653 . 1 1 56 56 ILE N N 15 123.029 0.1 . 1 . . . . . . . . 5977 1 654 . 1 1 56 56 ILE H H 1 7.782 0.015 . 1 . . . . . . . . 5977 1 655 . 1 1 56 56 ILE CA C 13 64.549 0.2 . 1 . . . . . . . . 5977 1 656 . 1 1 56 56 ILE HA H 1 3.895 0.003 . 1 . . . . . . . . 5977 1 657 . 1 1 56 56 ILE CB C 13 37.608 0.2 . 1 . . . . . . . . 5977 1 658 . 1 1 56 56 ILE HB H 1 2.011 0.001 . 1 . . . . . . . . 5977 1 659 . 1 1 56 56 ILE HG21 H 1 0.969 0.015 . 1 . . . . . . . . 5977 1 660 . 1 1 56 56 ILE HG22 H 1 0.969 0.015 . 1 . . . . . . . . 5977 1 661 . 1 1 56 56 ILE HG23 H 1 0.969 0.015 . 1 . . . . . . . . 5977 1 662 . 1 1 56 56 ILE CG2 C 13 18.229 0.2 . 1 . . . . . . . . 5977 1 663 . 1 1 56 56 ILE CG1 C 13 28.627 0.2 . 1 . . . . . . . . 5977 1 664 . 1 1 56 56 ILE HG12 H 1 1.313 0.004 . 1 . . . . . . . . 5977 1 665 . 1 1 56 56 ILE HG13 H 1 1.785 0.006 . 1 . . . . . . . . 5977 1 666 . 1 1 56 56 ILE HD11 H 1 0.852 0.001 . 1 . . . . . . . . 5977 1 667 . 1 1 56 56 ILE HD12 H 1 0.852 0.001 . 1 . . . . . . . . 5977 1 668 . 1 1 56 56 ILE HD13 H 1 0.852 0.001 . 1 . . . . . . . . 5977 1 669 . 1 1 56 56 ILE CD1 C 13 13.739 0.2 . 1 . . . . . . . . 5977 1 670 . 1 1 56 56 ILE C C 13 178.518 0.2 . 1 . . . . . . . . 5977 1 671 . 1 1 57 57 LEU N N 15 119.459 0.1 . 1 . . . . . . . . 5977 1 672 . 1 1 57 57 LEU H H 1 8.419 0.015 . 1 . . . . . . . . 5977 1 673 . 1 1 57 57 LEU CA C 13 58.641 0.2 . 1 . . . . . . . . 5977 1 674 . 1 1 57 57 LEU HA H 1 4.030 0.003 . 1 . . . . . . . . 5977 1 675 . 1 1 57 57 LEU CB C 13 41.862 0.2 . 1 . . . . . . . . 5977 1 676 . 1 1 57 57 LEU HB2 H 1 1.621 0.003 . 1 . . . . . . . . 5977 1 677 . 1 1 57 57 LEU HB3 H 1 1.974 0.015 . 1 . . . . . . . . 5977 1 678 . 1 1 57 57 LEU CG C 13 27.210 0.2 . 1 . . . . . . . . 5977 1 679 . 1 1 57 57 LEU HG H 1 1.802 0.015 . 1 . . . . . . . . 5977 1 680 . 1 1 57 57 LEU HD11 H 1 0.908 0.001 . 1 . . . . . . . . 5977 1 681 . 1 1 57 57 LEU HD12 H 1 0.908 0.001 . 1 . . . . . . . . 5977 1 682 . 1 1 57 57 LEU HD13 H 1 0.908 0.001 . 1 . . . . . . . . 5977 1 683 . 1 1 57 57 LEU HD21 H 1 1.030 0.001 . 1 . . . . . . . . 5977 1 684 . 1 1 57 57 LEU HD22 H 1 1.030 0.001 . 1 . . . . . . . . 5977 1 685 . 1 1 57 57 LEU HD23 H 1 1.030 0.001 . 1 . . . . . . . . 5977 1 686 . 1 1 57 57 LEU CD1 C 13 26.264 0.2 . 1 . . . . . . . . 5977 1 687 . 1 1 57 57 LEU CD2 C 13 23.428 0.2 . 1 . . . . . . . . 5977 1 688 . 1 1 57 57 LEU C C 13 179.737 0.2 . 1 . . . . . . . . 5977 1 689 . 1 1 58 58 ARG N N 15 119.962 0.1 . 1 . . . . . . . . 5977 1 690 . 1 1 58 58 ARG H H 1 8.131 0.015 . 1 . . . . . . . . 5977 1 691 . 1 1 58 58 ARG CA C 13 58.877 0.2 . 1 . . . . . . . . 5977 1 692 . 1 1 58 58 ARG HA H 1 4.270 0.001 . 1 . . . . . . . . 5977 1 693 . 1 1 58 58 ARG CB C 13 29.809 0.2 . 1 . . . . . . . . 5977 1 694 . 1 1 58 58 ARG HB2 H 1 2.058 0.003 . 1 . . . . . . . . 5977 1 695 . 1 1 58 58 ARG HB3 H 1 2.145 0.003 . 1 . . . . . . . . 5977 1 696 . 1 1 58 58 ARG CG C 13 27.210 0.2 . 1 . . . . . . . . 5977 1 697 . 1 1 58 58 ARG HG2 H 1 1.822 0.015 . 1 . . . . . . . . 5977 1 698 . 1 1 58 58 ARG HG3 H 1 1.822 0.015 . 1 . . . . . . . . 5977 1 699 . 1 1 58 58 ARG CD C 13 43.516 0.2 . 1 . . . . . . . . 5977 1 700 . 1 1 58 58 ARG HD2 H 1 3.283 0.003 . 1 . . . . . . . . 5977 1 701 . 1 1 58 58 ARG HD3 H 1 3.435 0.003 . 1 . . . . . . . . 5977 1 702 . 1 1 58 58 ARG C C 13 178.637 0.2 . 1 . . . . . . . . 5977 1 703 . 1 1 59 59 GLU N N 15 119.415 0.1 . 1 . . . . . . . . 5977 1 704 . 1 1 59 59 GLU H H 1 8.225 0.015 . 1 . . . . . . . . 5977 1 705 . 1 1 59 59 GLU CA C 13 59.823 0.2 . 1 . . . . . . . . 5977 1 706 . 1 1 59 59 GLU HA H 1 4.055 0.002 . 1 . . . . . . . . 5977 1 707 . 1 1 59 59 GLU CB C 13 29.336 0.2 . 1 . . . . . . . . 5977 1 708 . 1 1 59 59 GLU HB2 H 1 2.194 0.002 . 1 . . . . . . . . 5977 1 709 . 1 1 59 59 GLU HB3 H 1 2.484 0.015 . 1 . . . . . . . . 5977 1 710 . 1 1 59 59 GLU CG C 13 36.899 0.2 . 1 . . . . . . . . 5977 1 711 . 1 1 59 59 GLU HG2 H 1 2.354 0.001 . 1 . . . . . . . . 5977 1 712 . 1 1 59 59 GLU HG3 H 1 2.716 0.015 . 1 . . . . . . . . 5977 1 713 . 1 1 59 59 GLU C C 13 179.792 0.2 . 1 . . . . . . . . 5977 1 714 . 1 1 60 60 ARG N N 15 118.341 0.1 . 1 . . . . . . . . 5977 1 715 . 1 1 60 60 ARG H H 1 8.226 0.015 . 1 . . . . . . . . 5977 1 716 . 1 1 60 60 ARG CA C 13 58.877 0.2 . 1 . . . . . . . . 5977 1 717 . 1 1 60 60 ARG HA H 1 4.260 0.015 . 1 . . . . . . . . 5977 1 718 . 1 1 60 60 ARG CB C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 719 . 1 1 60 60 ARG HB2 H 1 2.063 0.015 . 1 . . . . . . . . 5977 1 720 . 1 1 60 60 ARG HB3 H 1 2.148 0.015 . 1 . . . . . . . . 5977 1 721 . 1 1 60 60 ARG CG C 13 27.918 0.2 . 1 . . . . . . . . 5977 1 722 . 1 1 60 60 ARG HG2 H 1 1.826 0.005 . 1 . . . . . . . . 5977 1 723 . 1 1 60 60 ARG HG3 H 1 1.826 0.005 . 1 . . . . . . . . 5977 1 724 . 1 1 60 60 ARG CD C 13 43.989 0.2 . 1 . . . . . . . . 5977 1 725 . 1 1 60 60 ARG HD2 H 1 3.286 0.015 . 1 . . . . . . . . 5977 1 726 . 1 1 60 60 ARG HD3 H 1 3.286 0.015 . 1 . . . . . . . . 5977 1 727 . 1 1 60 60 ARG C C 13 179.606 0.2 . 1 . . . . . . . . 5977 1 728 . 1 1 61 61 GLU N N 15 121.117 0.1 . 1 . . . . . . . . 5977 1 729 . 1 1 61 61 GLU H H 1 8.062 0.015 . 1 . . . . . . . . 5977 1 730 . 1 1 61 61 GLU CA C 13 59.114 0.2 . 1 . . . . . . . . 5977 1 731 . 1 1 61 61 GLU HA H 1 4.198 0.015 . 1 . . . . . . . . 5977 1 732 . 1 1 61 61 GLU CB C 13 30.045 0.2 . 1 . . . . . . . . 5977 1 733 . 1 1 61 61 GLU HB2 H 1 2.265 0.001 . 1 . . . . . . . . 5977 1 734 . 1 1 61 61 GLU HB3 H 1 2.265 0.001 . 1 . . . . . . . . 5977 1 735 . 1 1 61 61 GLU CG C 13 36.426 0.2 . 1 . . . . . . . . 5977 1 736 . 1 1 61 61 GLU HG2 H 1 2.364 0.007 . 1 . . . . . . . . 5977 1 737 . 1 1 61 61 GLU HG3 H 1 2.566 0.003 . 1 . . . . . . . . 5977 1 738 . 1 1 61 61 GLU C C 13 178.397 0.2 . 1 . . . . . . . . 5977 1 739 . 1 1 62 62 LEU N N 15 118.281 0.1 . 1 . . . . . . . . 5977 1 740 . 1 1 62 62 LEU H H 1 7.890 0.015 . 1 . . . . . . . . 5977 1 741 . 1 1 62 62 LEU CA C 13 55.569 0.2 . 1 . . . . . . . . 5977 1 742 . 1 1 62 62 LEU HA H 1 4.412 0.002 . 1 . . . . . . . . 5977 1 743 . 1 1 62 62 LEU CB C 13 42.571 0.2 . 1 . . . . . . . . 5977 1 744 . 1 1 62 62 LEU HB2 H 1 1.747 0.015 . 1 . . . . . . . . 5977 1 745 . 1 1 62 62 LEU HB3 H 1 1.956 0.002 . 1 . . . . . . . . 5977 1 746 . 1 1 62 62 LEU CG C 13 26.737 0.2 . 1 . . . . . . . . 5977 1 747 . 1 1 62 62 LEU HG H 1 1.908 0.001 . 1 . . . . . . . . 5977 1 748 . 1 1 62 62 LEU HD11 H 1 0.986 0.008 . 1 . . . . . . . . 5977 1 749 . 1 1 62 62 LEU HD12 H 1 0.986 0.008 . 1 . . . . . . . . 5977 1 750 . 1 1 62 62 LEU HD13 H 1 0.986 0.008 . 1 . . . . . . . . 5977 1 751 . 1 1 62 62 LEU HD21 H 1 0.996 0.003 . 1 . . . . . . . . 5977 1 752 . 1 1 62 62 LEU HD22 H 1 0.996 0.003 . 1 . . . . . . . . 5977 1 753 . 1 1 62 62 LEU HD23 H 1 0.996 0.003 . 1 . . . . . . . . 5977 1 754 . 1 1 62 62 LEU CD1 C 13 22.719 0.2 . 1 . . . . . . . . 5977 1 755 . 1 1 62 62 LEU CD2 C 13 25.319 0.2 . 1 . . . . . . . . 5977 1 756 . 1 1 62 62 LEU C C 13 178.115 0.2 . 1 . . . . . . . . 5977 1 757 . 1 1 63 63 GLY N N 15 107.695 0.1 . 1 . . . . . . . . 5977 1 758 . 1 1 63 63 GLY H H 1 7.954 0.015 . 1 . . . . . . . . 5977 1 759 . 1 1 63 63 GLY CA C 13 45.643 0.2 . 1 . . . . . . . . 5977 1 760 . 1 1 63 63 GLY HA2 H 1 3.982 0.005 . 1 . . . . . . . . 5977 1 761 . 1 1 63 63 GLY HA3 H 1 4.144 0.001 . 1 . . . . . . . . 5977 1 762 . 1 1 63 63 GLY C C 13 174.440 0.2 . 1 . . . . . . . . 5977 1 763 . 1 1 64 64 ILE N N 15 120.847 0.1 . 1 . . . . . . . . 5977 1 764 . 1 1 64 64 ILE H H 1 7.997 0.015 . 1 . . . . . . . . 5977 1 765 . 1 1 64 64 ILE CA C 13 61.477 0.2 . 1 . . . . . . . . 5977 1 766 . 1 1 64 64 ILE HA H 1 4.181 0.003 . 1 . . . . . . . . 5977 1 767 . 1 1 64 64 ILE CB C 13 38.553 0.2 . 1 . . . . . . . . 5977 1 768 . 1 1 64 64 ILE HB H 1 1.912 0.001 . 1 . . . . . . . . 5977 1 769 . 1 1 64 64 ILE HG21 H 1 0.965 0.003 . 1 . . . . . . . . 5977 1 770 . 1 1 64 64 ILE HG22 H 1 0.965 0.003 . 1 . . . . . . . . 5977 1 771 . 1 1 64 64 ILE HG23 H 1 0.965 0.003 . 1 . . . . . . . . 5977 1 772 . 1 1 64 64 ILE CG2 C 13 17.284 0.2 . 1 . . . . . . . . 5977 1 773 . 1 1 64 64 ILE CG1 C 13 27.446 0.2 . 1 . . . . . . . . 5977 1 774 . 1 1 64 64 ILE HG12 H 1 1.579 0.001 . 1 . . . . . . . . 5977 1 775 . 1 1 64 64 ILE HG13 H 1 1.243 0.001 . 1 . . . . . . . . 5977 1 776 . 1 1 64 64 ILE HD11 H 1 0.975 0.003 . 1 . . . . . . . . 5977 1 777 . 1 1 64 64 ILE HD12 H 1 0.975 0.003 . 1 . . . . . . . . 5977 1 778 . 1 1 64 64 ILE HD13 H 1 0.975 0.003 . 1 . . . . . . . . 5977 1 779 . 1 1 64 64 ILE CD1 C 13 13.030 0.2 . 1 . . . . . . . . 5977 1 780 . 1 1 64 64 ILE C C 13 175.839 0.2 . 1 . . . . . . . . 5977 1 781 . 1 1 65 65 ARG N N 15 126.057 0.1 . 1 . . . . . . . . 5977 1 782 . 1 1 65 65 ARG H H 1 8.290 0.015 . 1 . . . . . . . . 5977 1 783 . 1 1 65 65 ARG CA C 13 55.805 0.2 . 1 . . . . . . . . 5977 1 784 . 1 1 65 65 ARG HA H 1 4.519 0.001 . 1 . . . . . . . . 5977 1 785 . 1 1 65 65 ARG CB C 13 30.991 0.2 . 1 . . . . . . . . 5977 1 786 . 1 1 65 65 ARG HB2 H 1 1.845 0.003 . 1 . . . . . . . . 5977 1 787 . 1 1 65 65 ARG HB3 H 1 1.970 0.015 . 1 . . . . . . . . 5977 1 788 . 1 1 65 65 ARG CG C 13 27.210 0.2 . 1 . . . . . . . . 5977 1 789 . 1 1 65 65 ARG HG2 H 1 1.706 0.015 . 1 . . . . . . . . 5977 1 790 . 1 1 65 65 ARG HG3 H 1 1.706 0.015 . 1 . . . . . . . . 5977 1 791 . 1 1 65 65 ARG CD C 13 43.516 0.2 . 1 . . . . . . . . 5977 1 792 . 1 1 65 65 ARG HD2 H 1 3.305 0.003 . 1 . . . . . . . . 5977 1 793 . 1 1 65 65 ARG HD3 H 1 3.305 0.003 . 1 . . . . . . . . 5977 1 794 . 1 1 65 65 ARG C C 13 175.037 0.2 . 1 . . . . . . . . 5977 1 795 . 1 1 66 66 ARG N N 15 128.149 0.1 . 1 . . . . . . . . 5977 1 796 . 1 1 66 66 ARG H H 1 7.988 0.015 . 1 . . . . . . . . 5977 1 797 . 1 1 66 66 ARG CA C 13 57.459 0.2 . 1 . . . . . . . . 5977 1 798 . 1 1 66 66 ARG HA H 1 4.294 0.003 . 1 . . . . . . . . 5977 1 799 . 1 1 66 66 ARG CB C 13 31.700 0.2 . 1 . . . . . . . . 5977 1 800 . 1 1 66 66 ARG HB2 H 1 1.792 0.003 . 1 . . . . . . . . 5977 1 801 . 1 1 66 66 ARG HB3 H 1 1.938 0.001 . 1 . . . . . . . . 5977 1 802 . 1 1 66 66 ARG CG C 13 27.918 0.2 . 1 . . . . . . . . 5977 1 803 . 1 1 66 66 ARG HG2 H 1 1.679 0.003 . 1 . . . . . . . . 5977 1 804 . 1 1 66 66 ARG HG3 H 1 1.679 0.003 . 1 . . . . . . . . 5977 1 805 . 1 1 66 66 ARG CD C 13 43.516 0.2 . 1 . . . . . . . . 5977 1 806 . 1 1 66 66 ARG HD2 H 1 3.270 0.006 . 1 . . . . . . . . 5977 1 807 . 1 1 66 66 ARG HD3 H 1 3.270 0.006 . 1 . . . . . . . . 5977 1 stop_ save_