data_7192 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7192 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subilis YqaI Dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-26 _Entry.Accession_date 2006-06-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Theresa Ramelot . A. . 7192 2 Michael Kennedy . A. . 7192 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7192 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 7192 '15N chemical shifts' 75 7192 '1H chemical shifts' 482 7192 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 . . 2009-06-23 2006-06-26 update BMRB 'added time domain data' 7192 1 . . 2006-08-11 2006-06-26 original author 'original release' 7192 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7192 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of YqaI from Bacillus sbutilis' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 7192 1 2 Michael Kennedy . A. . 7192 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7192 _Assembly.ID 1 _Assembly.Name YqaI _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 8641 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YqaI, chain 1' 1 $YqaI . . no native no no . . . 7192 1 2 'YqaI, chain 2' 1 $YqaI . . no native no no . . . 7192 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YqaI _Entity.Sf_category entity _Entity.Sf_framecode YqaI _Entity.Entry_ID 7192 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YqaI _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 ; MVENPMVINNWHDKLTETDV QIDFYGDEVTPVDDYVIDGG EIILRENLERYLREQLGFEF KNAQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C-term: LEHHHHHH' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2DSM . "Nmr Structure Of Bacillus Subtilis Protein Yqai, Northeast Structural Genomics Target Sr450" . . . . . 100.00 72 100.00 100.00 3.32e-44 . . . . 7192 1 2 no DBJ BAA06923 . "ORF20 [Bacillus subtilis]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 3 no DBJ BAA12384 . "YqaI [Bacillus subtilis]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 4 no DBJ BAM58696 . "hypothetical protein BEST7003_2495 [Bacillus subtilis BEST7003]" . . . . . 88.89 74 100.00 100.00 1.82e-38 . . . . 7192 1 5 no EMBL CAB14571 . "hypothetical protein; skin element [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 6 no EMBL CEI57855 . "hypothetical protein BS49_28770 [Bacillus subtilis]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 7 no EMBL CEJ78277 . "hypothetical protein BS34A_28770 [Bacillus sp.]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 8 no GB ADV93390 . "hypothetical protein BSn5_03800 [Bacillus subtilis BSn5]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 9 no GB AGG62031 . "skin element YqaI [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 10 no GB AHA78516 . "Uncharacterized protein yqaI [Bacillus subtilis PY79]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 11 no GB AIC41086 . "hypothetical protein BSUA_02809 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 12 no GB AIC45318 . "yqaI [Bacillus subtilis subsp. subtilis str. AG1839]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 13 no REF NP_390507 . "hypothetical protein BSU26300 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 14 no REF WP_003229905 . "hypothetical protein [Bacillus subtilis]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 15 no REF WP_021480131 . "hypothetical protein [Bacillus sp. EGD-AK10]" . . . . . 88.89 64 98.44 100.00 6.56e-38 . . . . 7192 1 16 no REF YP_004204417 . "hypothetical protein BSn5_03800 [Bacillus subtilis BSn5]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 17 no REF YP_007534614 . "skin element YqaI [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 1 18 no SP P45906 . "RecName: Full=Uncharacterized protein YqaI [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 88.89 64 100.00 100.00 3.81e-38 . . . . 7192 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 1 MET . 7192 1 2 2 VAL . 7192 1 3 3 GLU . 7192 1 4 4 ASN . 7192 1 5 5 PRO . 7192 1 6 6 MET . 7192 1 7 7 VAL . 7192 1 8 8 ILE . 7192 1 9 9 ASN . 7192 1 10 10 ASN . 7192 1 11 11 TRP . 7192 1 12 12 HIS . 7192 1 13 13 ASP . 7192 1 14 14 LYS . 7192 1 15 15 LEU . 7192 1 16 16 THR . 7192 1 17 17 GLU . 7192 1 18 18 THR . 7192 1 19 19 ASP . 7192 1 20 20 VAL . 7192 1 21 21 GLN . 7192 1 22 22 ILE . 7192 1 23 23 ASP . 7192 1 24 24 PHE . 7192 1 25 25 TYR . 7192 1 26 26 GLY . 7192 1 27 27 ASP . 7192 1 28 28 GLU . 7192 1 29 29 VAL . 7192 1 30 30 THR . 7192 1 31 31 PRO . 7192 1 32 32 VAL . 7192 1 33 33 ASP . 7192 1 34 34 ASP . 7192 1 35 35 TYR . 7192 1 36 36 VAL . 7192 1 37 37 ILE . 7192 1 38 38 ASP . 7192 1 39 39 GLY . 7192 1 40 40 GLY . 7192 1 41 41 GLU . 7192 1 42 42 ILE . 7192 1 43 43 ILE . 7192 1 44 44 LEU . 7192 1 45 45 ARG . 7192 1 46 46 GLU . 7192 1 47 47 ASN . 7192 1 48 48 LEU . 7192 1 49 49 GLU . 7192 1 50 50 ARG . 7192 1 51 51 TYR . 7192 1 52 52 LEU . 7192 1 53 53 ARG . 7192 1 54 54 GLU . 7192 1 55 55 GLN . 7192 1 56 56 LEU . 7192 1 57 57 GLY . 7192 1 58 58 PHE . 7192 1 59 59 GLU . 7192 1 60 60 PHE . 7192 1 61 61 LYS . 7192 1 62 62 ASN . 7192 1 63 63 ALA . 7192 1 64 64 GLN . 7192 1 65 65 LEU . 7192 1 66 66 GLU . 7192 1 67 67 HIS . 7192 1 68 68 HIS . 7192 1 69 69 HIS . 7192 1 70 70 HIS . 7192 1 71 71 HIS . 7192 1 72 72 HIS . 7192 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 7192 1 . VAL 2 2 7192 1 . GLU 3 3 7192 1 . ASN 4 4 7192 1 . PRO 5 5 7192 1 . MET 6 6 7192 1 . VAL 7 7 7192 1 . ILE 8 8 7192 1 . ASN 9 9 7192 1 . ASN 10 10 7192 1 . TRP 11 11 7192 1 . HIS 12 12 7192 1 . ASP 13 13 7192 1 . LYS 14 14 7192 1 . LEU 15 15 7192 1 . THR 16 16 7192 1 . GLU 17 17 7192 1 . THR 18 18 7192 1 . ASP 19 19 7192 1 . VAL 20 20 7192 1 . GLN 21 21 7192 1 . ILE 22 22 7192 1 . ASP 23 23 7192 1 . PHE 24 24 7192 1 . TYR 25 25 7192 1 . GLY 26 26 7192 1 . ASP 27 27 7192 1 . GLU 28 28 7192 1 . VAL 29 29 7192 1 . THR 30 30 7192 1 . PRO 31 31 7192 1 . VAL 32 32 7192 1 . ASP 33 33 7192 1 . ASP 34 34 7192 1 . TYR 35 35 7192 1 . VAL 36 36 7192 1 . ILE 37 37 7192 1 . ASP 38 38 7192 1 . GLY 39 39 7192 1 . GLY 40 40 7192 1 . GLU 41 41 7192 1 . ILE 42 42 7192 1 . ILE 43 43 7192 1 . LEU 44 44 7192 1 . ARG 45 45 7192 1 . GLU 46 46 7192 1 . ASN 47 47 7192 1 . LEU 48 48 7192 1 . GLU 49 49 7192 1 . ARG 50 50 7192 1 . TYR 51 51 7192 1 . LEU 52 52 7192 1 . ARG 53 53 7192 1 . GLU 54 54 7192 1 . GLN 55 55 7192 1 . LEU 56 56 7192 1 . GLY 57 57 7192 1 . PHE 58 58 7192 1 . GLU 59 59 7192 1 . PHE 60 60 7192 1 . LYS 61 61 7192 1 . ASN 62 62 7192 1 . ALA 63 63 7192 1 . GLN 64 64 7192 1 . LEU 65 65 7192 1 . GLU 66 66 7192 1 . HIS 67 67 7192 1 . HIS 68 68 7192 1 . HIS 69 69 7192 1 . HIS 70 70 7192 1 . HIS 71 71 7192 1 . HIS 72 72 7192 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 7192 _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 $YqaI . 1423 . no . 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7192 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 7192 _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 $YqaI . 'recombinant technology' . 'E. coli' 'BL21 (DE3) pMGK' . . . . . . . . . . . . . . . . plasmid . . PET21 . . . . . . 7192 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7192 _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 YqaI '[U-100% 13C; U-100% 15N]' . . 1 $YqaI . . 1 . . mM . . . . 7192 1 2 MES . . . . . . . 20 . . mM . . . . 7192 1 3 NaCL . . . . . . . 100 . . mM . . . . 7192 1 4 DTT . . . . . . . 10 . . mM . . . . 7192 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7192 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 7192 1 pH 6.5 0.1 pH 7192 1 temperature 298 1 K 7192 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 7192 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7192 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7192 _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 '15N NOESY' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 2 '13C NOESY (aliph)' yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 3 '4D NOESY CC HSQC' yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 4 '15N NOESY in D2O' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 5 '13C NOESY in D2O (aliph)' yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 6 '13C NOESY (arom)' yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 7 '13C NOESY in D2O (arom)' yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7192 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7192 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7192 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7192 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7192 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7192 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7192 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 C C 13 177.2 0.2 . 1 . . . . 1 MET C . 7192 1 2 . 1 1 2 2 VAL H H 1 8.10 0.02 . 1 . . . . 2 VAL H . 7192 1 3 . 1 1 2 2 VAL HA H 1 4.09 0.02 . 1 . . . . 2 VAL HA . 7192 1 4 . 1 1 2 2 VAL HB H 1 2.07 0.02 . 1 . . . . 2 VAL HB . 7192 1 5 . 1 1 2 2 VAL C C 13 176.5 0.2 . 1 . . . . 2 VAL C . 7192 1 6 . 1 1 2 2 VAL CA C 13 62.3 0.2 . 1 . . . . 2 VAL CA . 7192 1 7 . 1 1 2 2 VAL CB C 13 32.7 0.2 . 1 . . . . 2 VAL CB . 7192 1 8 . 1 1 2 2 VAL N N 15 124.8 0.2 . 1 . . . . 2 VAL N . 7192 1 9 . 1 1 3 3 GLU H H 1 8.50 0.02 . 1 . . . . 3 GLU H . 7192 1 10 . 1 1 3 3 GLU HA H 1 4.28 0.02 . 1 . . . . 3 GLU HA . 7192 1 11 . 1 1 3 3 GLU HB2 H 1 1.91 0.02 . 2 . . . . 3 GLU HB2 . 7192 1 12 . 1 1 3 3 GLU HB3 H 1 1.99 0.02 . 2 . . . . 3 GLU HB3 . 7192 1 13 . 1 1 3 3 GLU HG2 H 1 2.23 0.02 . 1 . . . . 3 GLU HG2 . 7192 1 14 . 1 1 3 3 GLU HG3 H 1 2.23 0.02 . 1 . . . . 3 GLU HG3 . 7192 1 15 . 1 1 3 3 GLU C C 13 175.9 0.2 . 1 . . . . 3 GLU C . 7192 1 16 . 1 1 3 3 GLU CA C 13 56.5 0.2 . 1 . . . . 3 GLU CA . 7192 1 17 . 1 1 3 3 GLU CB C 13 30.4 0.2 . 1 . . . . 3 GLU CB . 7192 1 18 . 1 1 3 3 GLU CG C 13 36.1 0.2 . 1 . . . . 3 GLU CG . 7192 1 19 . 1 1 3 3 GLU N N 15 124.2 0.2 . 1 . . . . 3 GLU N . 7192 1 20 . 1 1 4 4 ASN H H 1 8.50 0.02 . 1 . . . . 4 ASN H . 7192 1 21 . 1 1 4 4 ASN HA H 1 4.97 0.02 . 1 . . . . 4 ASN HA . 7192 1 22 . 1 1 4 4 ASN HB2 H 1 2.70 0.02 . 2 . . . . 4 ASN HB2 . 7192 1 23 . 1 1 4 4 ASN HB3 H 1 2.86 0.02 . 2 . . . . 4 ASN HB3 . 7192 1 24 . 1 1 4 4 ASN HD21 H 1 7.66 0.02 . 1 . . . . 4 ASN HD21 . 7192 1 25 . 1 1 4 4 ASN HD22 H 1 6.94 0.02 . 1 . . . . 4 ASN HD22 . 7192 1 26 . 1 1 4 4 ASN CA C 13 51.2 0.2 . 1 . . . . 4 ASN CA . 7192 1 27 . 1 1 4 4 ASN CB C 13 39.0 0.2 . 1 . . . . 4 ASN CB . 7192 1 28 . 1 1 4 4 ASN N N 15 120.7 0.2 . 1 . . . . 4 ASN N . 7192 1 29 . 1 1 4 4 ASN ND2 N 15 113.0 0.2 . 1 . . . . 4 ASN ND2 . 7192 1 30 . 1 1 5 5 PRO HA H 1 4.39 0.02 . 1 . . . . 5 PRO HA . 7192 1 31 . 1 1 5 5 PRO HB2 H 1 1.93 0.02 . 2 . . . . 5 PRO HB2 . 7192 1 32 . 1 1 5 5 PRO HB3 H 1 2.27 0.02 . 2 . . . . 5 PRO HB3 . 7192 1 33 . 1 1 5 5 PRO HG2 H 1 2.00 0.02 . 1 . . . . 5 PRO HG2 . 7192 1 34 . 1 1 5 5 PRO HG3 H 1 2.00 0.02 . 1 . . . . 5 PRO HG3 . 7192 1 35 . 1 1 5 5 PRO HD2 H 1 3.77 0.02 . 1 . . . . 5 PRO HD2 . 7192 1 36 . 1 1 5 5 PRO HD3 H 1 3.77 0.02 . 1 . . . . 5 PRO HD3 . 7192 1 37 . 1 1 5 5 PRO C C 13 176.8 0.2 . 1 . . . . 5 PRO C . 7192 1 38 . 1 1 5 5 PRO CA C 13 63.5 0.2 . 1 . . . . 5 PRO CA . 7192 1 39 . 1 1 5 5 PRO CB C 13 32.2 0.2 . 1 . . . . 5 PRO CB . 7192 1 40 . 1 1 5 5 PRO CG C 13 27.3 0.2 . 1 . . . . 5 PRO CG . 7192 1 41 . 1 1 5 5 PRO CD C 13 50.8 0.2 . 1 . . . . 5 PRO CD . 7192 1 42 . 1 1 6 6 MET H H 1 8.30 0.02 . 1 . . . . 6 MET H . 7192 1 43 . 1 1 6 6 MET HA H 1 4.40 0.02 . 1 . . . . 6 MET HA . 7192 1 44 . 1 1 6 6 MET HB2 H 1 2.03 0.02 . 1 . . . . 6 MET HB2 . 7192 1 45 . 1 1 6 6 MET HB3 H 1 2.03 0.02 . 1 . . . . 6 MET HB3 . 7192 1 46 . 1 1 6 6 MET HG2 H 1 2.50 0.02 . 2 . . . . 6 MET HG2 . 7192 1 47 . 1 1 6 6 MET HG3 H 1 2.61 0.02 . 2 . . . . 6 MET HG3 . 7192 1 48 . 1 1 6 6 MET HE1 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 7192 1 49 . 1 1 6 6 MET HE2 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 7192 1 50 . 1 1 6 6 MET HE3 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 7192 1 51 . 1 1 6 6 MET C C 13 176.2 0.2 . 1 . . . . 6 MET C . 7192 1 52 . 1 1 6 6 MET CA C 13 55.8 0.2 . 1 . . . . 6 MET CA . 7192 1 53 . 1 1 6 6 MET CB C 13 32.6 0.2 . 1 . . . . 6 MET CB . 7192 1 54 . 1 1 6 6 MET CG C 13 32.3 0.2 . 1 . . . . 6 MET CG . 7192 1 55 . 1 1 6 6 MET CE C 13 17.0 0.2 . 1 . . . . 6 MET CE . 7192 1 56 . 1 1 6 6 MET N N 15 119.4 0.2 . 1 . . . . 6 MET N . 7192 1 57 . 1 1 7 7 VAL H H 1 7.98 0.02 . 1 . . . . 7 VAL H . 7192 1 58 . 1 1 7 7 VAL HA H 1 4.08 0.02 . 1 . . . . 7 VAL HA . 7192 1 59 . 1 1 7 7 VAL HB H 1 2.04 0.02 . 1 . . . . 7 VAL HB . 7192 1 60 . 1 1 7 7 VAL HG11 H 1 0.88 0.02 . 1 . . . . 7 VAL HG1 . 7192 1 61 . 1 1 7 7 VAL HG12 H 1 0.88 0.02 . 1 . . . . 7 VAL HG1 . 7192 1 62 . 1 1 7 7 VAL HG13 H 1 0.88 0.02 . 1 . . . . 7 VAL HG1 . 7192 1 63 . 1 1 7 7 VAL HG21 H 1 0.92 0.02 . 1 . . . . 7 VAL HG2 . 7192 1 64 . 1 1 7 7 VAL HG22 H 1 0.92 0.02 . 1 . . . . 7 VAL HG2 . 7192 1 65 . 1 1 7 7 VAL HG23 H 1 0.92 0.02 . 1 . . . . 7 VAL HG2 . 7192 1 66 . 1 1 7 7 VAL C C 13 175.8 0.2 . 1 . . . . 7 VAL C . 7192 1 67 . 1 1 7 7 VAL CA C 13 62.4 0.2 . 1 . . . . 7 VAL CA . 7192 1 68 . 1 1 7 7 VAL CB C 13 32.8 0.2 . 1 . . . . 7 VAL CB . 7192 1 69 . 1 1 7 7 VAL CG1 C 13 21.2 0.02 . 1 . . . . 7 VAL CG1 . 7192 1 70 . 1 1 7 7 VAL CG2 C 13 20.9 0.02 . 1 . . . . 7 VAL CG2 . 7192 1 71 . 1 1 7 7 VAL N N 15 121.5 0.2 . 1 . . . . 7 VAL N . 7192 1 72 . 1 1 8 8 ILE H H 1 8.14 0.02 . 1 . . . . 8 ILE H . 7192 1 73 . 1 1 8 8 ILE HA H 1 4.12 0.02 . 1 . . . . 8 ILE HA . 7192 1 74 . 1 1 8 8 ILE HB H 1 1.81 0.02 . 1 . . . . 8 ILE HB . 7192 1 75 . 1 1 8 8 ILE HG12 H 1 1.14 0.02 . 2 . . . . 8 ILE HG12 . 7192 1 76 . 1 1 8 8 ILE HG13 H 1 1.42 0.02 . 2 . . . . 8 ILE HG13 . 7192 1 77 . 1 1 8 8 ILE HG21 H 1 0.83 0.02 . 1 . . . . 8 ILE HG2 . 7192 1 78 . 1 1 8 8 ILE HG22 H 1 0.83 0.02 . 1 . . . . 8 ILE HG2 . 7192 1 79 . 1 1 8 8 ILE HG23 H 1 0.83 0.02 . 1 . . . . 8 ILE HG2 . 7192 1 80 . 1 1 8 8 ILE HD11 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 7192 1 81 . 1 1 8 8 ILE HD12 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 7192 1 82 . 1 1 8 8 ILE HD13 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 7192 1 83 . 1 1 8 8 ILE C C 13 175.8 0.2 . 1 . . . . 8 ILE C . 7192 1 84 . 1 1 8 8 ILE CA C 13 60.9 0.2 . 1 . . . . 8 ILE CA . 7192 1 85 . 1 1 8 8 ILE CB C 13 38.6 0.2 . 1 . . . . 8 ILE CB . 7192 1 86 . 1 1 8 8 ILE CG1 C 13 27.4 0.2 . 1 . . . . 8 ILE CG1 . 7192 1 87 . 1 1 8 8 ILE CG2 C 13 17.6 0.2 . 1 . . . . 8 ILE CG2 . 7192 1 88 . 1 1 8 8 ILE CD1 C 13 12.9 0.2 . 1 . . . . 8 ILE CD1 . 7192 1 89 . 1 1 8 8 ILE N N 15 124.5 0.2 . 1 . . . . 8 ILE N . 7192 1 90 . 1 1 9 9 ASN H H 1 8.45 0.02 . 1 . . . . 9 ASN H . 7192 1 91 . 1 1 9 9 ASN HA H 1 4.63 0.02 . 1 . . . . 9 ASN HA . 7192 1 92 . 1 1 9 9 ASN HB2 H 1 2.62 0.02 . 1 . . . . 9 ASN HB2 . 7192 1 93 . 1 1 9 9 ASN HB3 H 1 2.62 0.02 . 1 . . . . 9 ASN HB3 . 7192 1 94 . 1 1 9 9 ASN HD21 H 1 7.50 0.02 . 1 . . . . 9 ASN HD21 . 7192 1 95 . 1 1 9 9 ASN HD22 H 1 6.81 0.02 . 1 . . . . 9 ASN HD22 . 7192 1 96 . 1 1 9 9 ASN C C 13 174.7 0.2 . 1 . . . . 9 ASN C . 7192 1 97 . 1 1 9 9 ASN CA C 13 53.2 0.2 . 1 . . . . 9 ASN CA . 7192 1 98 . 1 1 9 9 ASN CB C 13 39.0 0.2 . 1 . . . . 9 ASN CB . 7192 1 99 . 1 1 9 9 ASN N N 15 122.7 0.2 . 1 . . . . 9 ASN N . 7192 1 100 . 1 1 9 9 ASN ND2 N 15 112.7 0.2 . 1 . . . . 9 ASN ND2 . 7192 1 101 . 1 1 10 10 ASN H H 1 8.32 0.02 . 1 . . . . 10 ASN H . 7192 1 102 . 1 1 10 10 ASN HA H 1 4.68 0.02 . 1 . . . . 10 ASN HA . 7192 1 103 . 1 1 10 10 ASN HB2 H 1 2.66 0.02 . 2 . . . . 10 ASN HB2 . 7192 1 104 . 1 1 10 10 ASN HB3 H 1 2.75 0.02 . 2 . . . . 10 ASN HB3 . 7192 1 105 . 1 1 10 10 ASN HD21 H 1 7.54 0.02 . 2 . . . . 10 ASN HD21 . 7192 1 106 . 1 1 10 10 ASN HD22 H 1 6.86 0.02 . 2 . . . . 10 ASN HD22 . 7192 1 107 . 1 1 10 10 ASN C C 13 175.0 0.2 . 1 . . . . 10 ASN C . 7192 1 108 . 1 1 10 10 ASN CA C 13 53.1 0.2 . 1 . . . . 10 ASN CA . 7192 1 109 . 1 1 10 10 ASN CB C 13 38.7 0.2 . 1 . . . . 10 ASN CB . 7192 1 110 . 1 1 10 10 ASN N N 15 119.6 0.2 . 1 . . . . 10 ASN N . 7192 1 111 . 1 1 10 10 ASN ND2 N 15 112.7 0.2 . 1 . . . . 10 ASN ND2 . 7192 1 112 . 1 1 11 11 TRP H H 1 8.06 0.02 . 1 . . . . 11 TRP H . 7192 1 113 . 1 1 11 11 TRP HA H 1 4.55 0.02 . 1 . . . . 11 TRP HA . 7192 1 114 . 1 1 11 11 TRP HB2 H 1 3.23 0.02 . 1 . . . . 11 TRP HB2 . 7192 1 115 . 1 1 11 11 TRP HB3 H 1 3.23 0.02 . 1 . . . . 11 TRP HB3 . 7192 1 116 . 1 1 11 11 TRP HD1 H 1 7.20 0.02 . 1 . . . . 11 TRP HD1 . 7192 1 117 . 1 1 11 11 TRP HE1 H 1 10.12 0.02 . 1 . . . . 11 TRP HE1 . 7192 1 118 . 1 1 11 11 TRP HE3 H 1 7.51 0.02 . 1 . . . . 11 TRP HE3 . 7192 1 119 . 1 1 11 11 TRP HZ2 H 1 7.45 0.02 . 1 . . . . 11 TRP HZ2 . 7192 1 120 . 1 1 11 11 TRP HZ3 H 1 7.10 0.02 . 1 . . . . 11 TRP HZ3 . 7192 1 121 . 1 1 11 11 TRP HH2 H 1 7.19 0.02 . 1 . . . . 11 TRP HH2 . 7192 1 122 . 1 1 11 11 TRP C C 13 176.2 0.2 . 1 . . . . 11 TRP C . 7192 1 123 . 1 1 11 11 TRP CA C 13 57.8 0.2 . 1 . . . . 11 TRP CA . 7192 1 124 . 1 1 11 11 TRP CB C 13 29.3 0.2 . 1 . . . . 11 TRP CB . 7192 1 125 . 1 1 11 11 TRP CD1 C 13 127.2 0.2 . 1 . . . . 11 TRP CD1 . 7192 1 126 . 1 1 11 11 TRP CE3 C 13 120.8 0.2 . 1 . . . . 11 TRP CE3 . 7192 1 127 . 1 1 11 11 TRP CZ2 C 13 114.7 0.2 . 1 . . . . 11 TRP CZ2 . 7192 1 128 . 1 1 11 11 TRP CZ3 C 13 122.0 0.2 . 1 . . . . 11 TRP CZ3 . 7192 1 129 . 1 1 11 11 TRP CH2 C 13 124.6 0.2 . 1 . . . . 11 TRP CH2 . 7192 1 130 . 1 1 11 11 TRP N N 15 121.2 0.2 . 1 . . . . 11 TRP N . 7192 1 131 . 1 1 11 11 TRP NE1 N 15 129.5 0.2 . 1 . . . . 11 TRP NE1 . 7192 1 132 . 1 1 12 12 HIS H H 1 7.98 0.02 . 1 . . . . 12 HIS H . 7192 1 133 . 1 1 12 12 HIS HA H 1 4.41 0.02 . 1 . . . . 12 HIS HA . 7192 1 134 . 1 1 12 12 HIS HB2 H 1 2.95 0.02 . 2 . . . . 12 HIS HB2 . 7192 1 135 . 1 1 12 12 HIS HB3 H 1 3.06 0.02 . 2 . . . . 12 HIS HB3 . 7192 1 136 . 1 1 12 12 HIS HD2 H 1 7.0 0.02 . 1 . . . . 12 HIS HD2 . 7192 1 137 . 1 1 12 12 HIS C C 13 174.4 0.2 . 1 . . . . 12 HIS C . 7192 1 138 . 1 1 12 12 HIS CA C 13 56.2 0.2 . 1 . . . . 12 HIS CA . 7192 1 139 . 1 1 12 12 HIS CB C 13 29.6 0.2 . 1 . . . . 12 HIS CB . 7192 1 140 . 1 1 12 12 HIS CD2 C 13 120.0 0.2 . 1 . . . . 12 HIS CD2 . 7192 1 141 . 1 1 12 12 HIS N N 15 119.9 0.2 . 1 . . . . 12 HIS N . 7192 1 142 . 1 1 13 13 ASP H H 1 8.13 0.02 . 1 . . . . 13 ASP H . 7192 1 143 . 1 1 13 13 ASP HA H 1 4.47 0.02 . 1 . . . . 13 ASP HA . 7192 1 144 . 1 1 13 13 ASP HB2 H 1 2.59 0.02 . 2 . . . . 13 ASP HB2 . 7192 1 145 . 1 1 13 13 ASP HB3 H 1 2.68 0.02 . 2 . . . . 13 ASP HB3 . 7192 1 146 . 1 1 13 13 ASP C C 13 176.1 0.2 . 1 . . . . 13 ASP C . 7192 1 147 . 1 1 13 13 ASP CA C 13 54.7 0.2 . 1 . . . . 13 ASP CA . 7192 1 148 . 1 1 13 13 ASP CB C 13 41.1 0.2 . 1 . . . . 13 ASP CB . 7192 1 149 . 1 1 13 13 ASP N N 15 120.6 0.2 . 1 . . . . 13 ASP N . 7192 1 150 . 1 1 14 14 LYS H H 1 8.15 0.02 . 1 . . . . 14 LYS H . 7192 1 151 . 1 1 14 14 LYS HA H 1 4.27 0.02 . 1 . . . . 14 LYS HA . 7192 1 152 . 1 1 14 14 LYS HB2 H 1 1.75 0.02 . 2 . . . . 14 LYS HB2 . 7192 1 153 . 1 1 14 14 LYS HB3 H 1 1.84 0.02 . 2 . . . . 14 LYS HB3 . 7192 1 154 . 1 1 14 14 LYS HG2 H 1 1.39 0.02 . 1 . . . . 14 LYS HG2 . 7192 1 155 . 1 1 14 14 LYS HG3 H 1 1.39 0.02 . 1 . . . . 14 LYS HG3 . 7192 1 156 . 1 1 14 14 LYS HD2 H 1 1.62 0.02 . 1 . . . . 14 LYS HD2 . 7192 1 157 . 1 1 14 14 LYS HD3 H 1 1.62 0.02 . 1 . . . . 14 LYS HD3 . 7192 1 158 . 1 1 14 14 LYS HE2 H 1 2.95 0.02 . 1 . . . . 14 LYS HE2 . 7192 1 159 . 1 1 14 14 LYS HE3 H 1 2.95 0.02 . 1 . . . . 14 LYS HE3 . 7192 1 160 . 1 1 14 14 LYS C C 13 176.6 0.2 . 1 . . . . 14 LYS C . 7192 1 161 . 1 1 14 14 LYS CA C 13 56.5 0.2 . 1 . . . . 14 LYS CA . 7192 1 162 . 1 1 14 14 LYS CB C 13 32.9 0.2 . 1 . . . . 14 LYS CB . 7192 1 163 . 1 1 14 14 LYS CG C 13 24.7 0.2 . 1 . . . . 14 LYS CG . 7192 1 164 . 1 1 14 14 LYS CD C 13 29.0 0.2 . 1 . . . . 14 LYS CD . 7192 1 165 . 1 1 14 14 LYS CE C 13 42.2 0.2 . 1 . . . . 14 LYS CE . 7192 1 166 . 1 1 14 14 LYS N N 15 120.9 0.2 . 1 . . . . 14 LYS N . 7192 1 167 . 1 1 15 15 LEU H H 1 8.22 0.02 . 1 . . . . 15 LEU H . 7192 1 168 . 1 1 15 15 LEU HA H 1 4.36 0.02 . 1 . . . . 15 LEU HA . 7192 1 169 . 1 1 15 15 LEU HB2 H 1 1.58 0.02 . 2 . . . . 15 LEU HB2 . 7192 1 170 . 1 1 15 15 LEU HB3 H 1 1.68 0.02 . 2 . . . . 15 LEU HB3 . 7192 1 171 . 1 1 15 15 LEU HG H 1 1.60 0.02 . 1 . . . . 15 LEU HG . 7192 1 172 . 1 1 15 15 LEU HD11 H 1 0.88 0.02 . 1 . . . . 15 LEU HD1 . 7192 1 173 . 1 1 15 15 LEU HD12 H 1 0.88 0.02 . 1 . . . . 15 LEU HD1 . 7192 1 174 . 1 1 15 15 LEU HD13 H 1 0.88 0.02 . 1 . . . . 15 LEU HD1 . 7192 1 175 . 1 1 15 15 LEU HD21 H 1 0.84 0.02 . 1 . . . . 15 LEU HD2 . 7192 1 176 . 1 1 15 15 LEU HD22 H 1 0.84 0.02 . 1 . . . . 15 LEU HD2 . 7192 1 177 . 1 1 15 15 LEU HD23 H 1 0.84 0.02 . 1 . . . . 15 LEU HD2 . 7192 1 178 . 1 1 15 15 LEU C C 13 177.6 0.2 . 1 . . . . 15 LEU C . 7192 1 179 . 1 1 15 15 LEU CA C 13 55.6 0.2 . 1 . . . . 15 LEU CA . 7192 1 180 . 1 1 15 15 LEU CB C 13 42.2 0.2 . 1 . . . . 15 LEU CB . 7192 1 181 . 1 1 15 15 LEU CG C 13 27.1 0.2 . 1 . . . . 15 LEU CG . 7192 1 182 . 1 1 15 15 LEU CD1 C 13 25.1 0.02 . 1 . . . . 15 LEU CD1 . 7192 1 183 . 1 1 15 15 LEU CD2 C 13 23.3 0.02 . 1 . . . . 15 LEU CD2 . 7192 1 184 . 1 1 15 15 LEU N N 15 122.5 0.2 . 1 . . . . 15 LEU N . 7192 1 185 . 1 1 16 16 THR H H 1 8.09 0.02 . 1 . . . . 16 THR H . 7192 1 186 . 1 1 16 16 THR HA H 1 4.34 0.02 . 1 . . . . 16 THR HA . 7192 1 187 . 1 1 16 16 THR HB H 1 4.24 0.02 . 1 . . . . 16 THR HB . 7192 1 188 . 1 1 16 16 THR HG21 H 1 1.19 0.02 . 1 . . . . 16 THR HG2 . 7192 1 189 . 1 1 16 16 THR HG22 H 1 1.19 0.02 . 1 . . . . 16 THR HG2 . 7192 1 190 . 1 1 16 16 THR HG23 H 1 1.19 0.02 . 1 . . . . 16 THR HG2 . 7192 1 191 . 1 1 16 16 THR C C 13 174.7 0.2 . 1 . . . . 16 THR C . 7192 1 192 . 1 1 16 16 THR CA C 13 61.7 0.2 . 1 . . . . 16 THR CA . 7192 1 193 . 1 1 16 16 THR CB C 13 70.0 0.2 . 1 . . . . 16 THR CB . 7192 1 194 . 1 1 16 16 THR CG2 C 13 21.8 0.2 . 1 . . . . 16 THR CG2 . 7192 1 195 . 1 1 16 16 THR N N 15 113.8 0.2 . 1 . . . . 16 THR N . 7192 1 196 . 1 1 17 17 GLU H H 1 8.40 0.02 . 1 . . . . 17 GLU H . 7192 1 197 . 1 1 17 17 GLU HA H 1 4.33 0.02 . 1 . . . . 17 GLU HA . 7192 1 198 . 1 1 17 17 GLU HB2 H 1 1.97 0.02 . 2 . . . . 17 GLU HB2 . 7192 1 199 . 1 1 17 17 GLU HB3 H 1 2.09 0.02 . 2 . . . . 17 GLU HB3 . 7192 1 200 . 1 1 17 17 GLU HG2 H 1 2.27 0.02 . 1 . . . . 17 GLU HG2 . 7192 1 201 . 1 1 17 17 GLU HG3 H 1 2.27 0.02 . 1 . . . . 17 GLU HG3 . 7192 1 202 . 1 1 17 17 GLU C C 13 176.5 0.2 . 1 . . . . 17 GLU C . 7192 1 203 . 1 1 17 17 GLU CA C 13 56.9 0.2 . 1 . . . . 17 GLU CA . 7192 1 204 . 1 1 17 17 GLU CB C 13 30.2 0.2 . 1 . . . . 17 GLU CB . 7192 1 205 . 1 1 17 17 GLU CG C 13 36.3 0.2 . 1 . . . . 17 GLU CG . 7192 1 206 . 1 1 17 17 GLU N N 15 122.7 0.2 . 1 . . . . 17 GLU N . 7192 1 207 . 1 1 18 18 THR H H 1 8.04 0.02 . 1 . . . . 18 THR H . 7192 1 208 . 1 1 18 18 THR HA H 1 4.35 0.02 . 1 . . . . 18 THR HA . 7192 1 209 . 1 1 18 18 THR HB H 1 4.23 0.02 . 1 . . . . 18 THR HB . 7192 1 210 . 1 1 18 18 THR HG21 H 1 1.17 0.02 . 1 . . . . 18 THR HG2 . 7192 1 211 . 1 1 18 18 THR HG22 H 1 1.17 0.02 . 1 . . . . 18 THR HG2 . 7192 1 212 . 1 1 18 18 THR HG23 H 1 1.17 0.02 . 1 . . . . 18 THR HG2 . 7192 1 213 . 1 1 18 18 THR C C 13 174.0 0.2 . 1 . . . . 18 THR C . 7192 1 214 . 1 1 18 18 THR CA C 13 61.7 0.2 . 1 . . . . 18 THR CA . 7192 1 215 . 1 1 18 18 THR CB C 13 69.8 0.2 . 1 . . . . 18 THR CB . 7192 1 216 . 1 1 18 18 THR CG2 C 13 21.5 0.2 . 1 . . . . 18 THR CG2 . 7192 1 217 . 1 1 18 18 THR N N 15 113.6 0.2 . 1 . . . . 18 THR N . 7192 1 218 . 1 1 19 19 ASP H H 1 8.29 0.02 . 1 . . . . 19 ASP H . 7192 1 219 . 1 1 19 19 ASP HA H 1 4.64 0.02 . 1 . . . . 19 ASP HA . 7192 1 220 . 1 1 19 19 ASP HB2 H 1 2.62 0.02 . 2 . . . . 19 ASP HB2 . 7192 1 221 . 1 1 19 19 ASP HB3 H 1 2.69 0.02 . 2 . . . . 19 ASP HB3 . 7192 1 222 . 1 1 19 19 ASP C C 13 175.5 0.2 . 1 . . . . 19 ASP C . 7192 1 223 . 1 1 19 19 ASP CA C 13 54.5 0.2 . 1 . . . . 19 ASP CA . 7192 1 224 . 1 1 19 19 ASP CB C 13 41.2 0.2 . 1 . . . . 19 ASP CB . 7192 1 225 . 1 1 19 19 ASP N N 15 122.9 0.2 . 1 . . . . 19 ASP N . 7192 1 226 . 1 1 20 20 VAL H H 1 7.90 0.02 . 1 . . . . 20 VAL H . 7192 1 227 . 1 1 20 20 VAL HA H 1 4.20 0.02 . 1 . . . . 20 VAL HA . 7192 1 228 . 1 1 20 20 VAL HB H 1 1.92 0.02 . 1 . . . . 20 VAL HB . 7192 1 229 . 1 1 20 20 VAL HG11 H 1 0.80 0.02 . 1 . . . . 20 VAL HG1 . 7192 1 230 . 1 1 20 20 VAL HG12 H 1 0.80 0.02 . 1 . . . . 20 VAL HG1 . 7192 1 231 . 1 1 20 20 VAL HG13 H 1 0.80 0.02 . 1 . . . . 20 VAL HG1 . 7192 1 232 . 1 1 20 20 VAL HG21 H 1 0.85 0.02 . 1 . . . . 20 VAL HG2 . 7192 1 233 . 1 1 20 20 VAL HG22 H 1 0.85 0.02 . 1 . . . . 20 VAL HG2 . 7192 1 234 . 1 1 20 20 VAL HG23 H 1 0.85 0.02 . 1 . . . . 20 VAL HG2 . 7192 1 235 . 1 1 20 20 VAL C C 13 175.4 0.2 . 1 . . . . 20 VAL C . 7192 1 236 . 1 1 20 20 VAL CA C 13 61.9 0.2 . 1 . . . . 20 VAL CA . 7192 1 237 . 1 1 20 20 VAL CB C 13 33.5 0.2 . 1 . . . . 20 VAL CB . 7192 1 238 . 1 1 20 20 VAL CG1 C 13 21.3 0.02 . 1 . . . . 20 VAL CG1 . 7192 1 239 . 1 1 20 20 VAL CG2 C 13 20.9 0.02 . 1 . . . . 20 VAL CG2 . 7192 1 240 . 1 1 20 20 VAL N N 15 119.9 0.2 . 1 . . . . 20 VAL N . 7192 1 241 . 1 1 21 21 GLN H H 1 8.49 0.02 . 1 . . . . 21 GLN H . 7192 1 242 . 1 1 21 21 GLN HA H 1 4.51 0.02 . 1 . . . . 21 GLN HA . 7192 1 243 . 1 1 21 21 GLN HB2 H 1 1.67 0.02 . 2 . . . . 21 GLN HB2 . 7192 1 244 . 1 1 21 21 GLN HB3 H 1 1.94 0.02 . 2 . . . . 21 GLN HB3 . 7192 1 245 . 1 1 21 21 GLN HG2 H 1 2.07 0.02 . 1 . . . . 21 GLN HG2 . 7192 1 246 . 1 1 21 21 GLN HG3 H 1 2.07 0.02 . 1 . . . . 21 GLN HG3 . 7192 1 247 . 1 1 21 21 GLN HE21 H 1 7.34 0.02 . 1 . . . . 21 GLN HE21 . 7192 1 248 . 1 1 21 21 GLN HE22 H 1 6.31 0.02 . 1 . . . . 21 GLN HE22 . 7192 1 249 . 1 1 21 21 GLN C C 13 173.8 0.2 . 1 . . . . 21 GLN C . 7192 1 250 . 1 1 21 21 GLN CA C 13 54.7 0.2 . 1 . . . . 21 GLN CA . 7192 1 251 . 1 1 21 21 GLN CB C 13 31.6 0.2 . 1 . . . . 21 GLN CB . 7192 1 252 . 1 1 21 21 GLN CG C 13 34.3 0.2 . 1 . . . . 21 GLN CG . 7192 1 253 . 1 1 21 21 GLN N N 15 124.8 0.2 . 1 . . . . 21 GLN N . 7192 1 254 . 1 1 21 21 GLN NE2 N 15 110.7 0.2 . 1 . . . . 21 GLN NE2 . 7192 1 255 . 1 1 22 22 ILE H H 1 8.07 0.02 . 1 . . . . 22 ILE H . 7192 1 256 . 1 1 22 22 ILE HA H 1 4.82 0.02 . 1 . . . . 22 ILE HA . 7192 1 257 . 1 1 22 22 ILE HB H 1 1.65 0.02 . 1 . . . . 22 ILE HB . 7192 1 258 . 1 1 22 22 ILE HG12 H 1 1.16 0.02 . 2 . . . . 22 ILE HG12 . 7192 1 259 . 1 1 22 22 ILE HG13 H 1 1.34 0.02 . 2 . . . . 22 ILE HG13 . 7192 1 260 . 1 1 22 22 ILE HG21 H 1 0.83 0.02 . 1 . . . . 22 ILE HG2 . 7192 1 261 . 1 1 22 22 ILE HG22 H 1 0.83 0.02 . 1 . . . . 22 ILE HG2 . 7192 1 262 . 1 1 22 22 ILE HG23 H 1 0.83 0.02 . 1 . . . . 22 ILE HG2 . 7192 1 263 . 1 1 22 22 ILE HD11 H 1 0.72 0.02 . 1 . . . . 22 ILE HD1 . 7192 1 264 . 1 1 22 22 ILE HD12 H 1 0.72 0.02 . 1 . . . . 22 ILE HD1 . 7192 1 265 . 1 1 22 22 ILE HD13 H 1 0.72 0.02 . 1 . . . . 22 ILE HD1 . 7192 1 266 . 1 1 22 22 ILE C C 13 175.5 0.2 . 1 . . . . 22 ILE C . 7192 1 267 . 1 1 22 22 ILE CA C 13 58.7 0.2 . 1 . . . . 22 ILE CA . 7192 1 268 . 1 1 22 22 ILE CB C 13 39.8 0.2 . 1 . . . . 22 ILE CB . 7192 1 269 . 1 1 22 22 ILE CG1 C 13 26.3 0.2 . 1 . . . . 22 ILE CG1 . 7192 1 270 . 1 1 22 22 ILE CG2 C 13 17.8 0.2 . 1 . . . . 22 ILE CG2 . 7192 1 271 . 1 1 22 22 ILE CD1 C 13 12.1 0.2 . 1 . . . . 22 ILE CD1 . 7192 1 272 . 1 1 22 22 ILE N N 15 120.5 0.2 . 1 . . . . 22 ILE N . 7192 1 273 . 1 1 23 23 ASP H H 1 9.34 0.02 . 1 . . . . 23 ASP H . 7192 1 274 . 1 1 23 23 ASP HA H 1 4.57 0.02 . 1 . . . . 23 ASP HA . 7192 1 275 . 1 1 23 23 ASP HB2 H 1 2.41 0.02 . 2 . . . . 23 ASP HB2 . 7192 1 276 . 1 1 23 23 ASP HB3 H 1 3.22 0.02 . 2 . . . . 23 ASP HB3 . 7192 1 277 . 1 1 23 23 ASP C C 13 178.6 0.2 . 1 . . . . 23 ASP C . 7192 1 278 . 1 1 23 23 ASP CA C 13 51.7 0.2 . 1 . . . . 23 ASP CA . 7192 1 279 . 1 1 23 23 ASP CB C 13 42.9 0.2 . 1 . . . . 23 ASP CB . 7192 1 280 . 1 1 23 23 ASP N N 15 128.0 0.2 . 1 . . . . 23 ASP N . 7192 1 281 . 1 1 24 24 PHE H H 1 8.86 0.02 . 1 . . . . 24 PHE H . 7192 1 282 . 1 1 24 24 PHE HA H 1 3.96 0.02 . 1 . . . . 24 PHE HA . 7192 1 283 . 1 1 24 24 PHE HB2 H 1 3.11 0.02 . 2 . . . . 24 PHE HB2 . 7192 1 284 . 1 1 24 24 PHE HB3 H 1 2.24 0.02 . 2 . . . . 24 PHE HB3 . 7192 1 285 . 1 1 24 24 PHE HD1 H 1 6.39 0.02 . 1 . . . . 24 PHE HD1 . 7192 1 286 . 1 1 24 24 PHE HD2 H 1 6.39 0.02 . 1 . . . . 24 PHE HD2 . 7192 1 287 . 1 1 24 24 PHE HE1 H 1 7.11 0.02 . 1 . . . . 24 PHE HE1 . 7192 1 288 . 1 1 24 24 PHE HE2 H 1 7.11 0.02 . 1 . . . . 24 PHE HE2 . 7192 1 289 . 1 1 24 24 PHE HZ H 1 7.08 0.02 . 1 . . . . 24 PHE HZ . 7192 1 290 . 1 1 24 24 PHE C C 13 175.8 0.2 . 1 . . . . 24 PHE C . 7192 1 291 . 1 1 24 24 PHE CA C 13 61.6 0.2 . 1 . . . . 24 PHE CA . 7192 1 292 . 1 1 24 24 PHE CB C 13 41.8 0.2 . 1 . . . . 24 PHE CB . 7192 1 293 . 1 1 24 24 PHE CD1 C 13 132.1 0.02 . 1 . . . . 24 PHE CD1 . 7192 1 294 . 1 1 24 24 PHE CD2 C 13 132.1 0.02 . 1 . . . . 24 PHE CD2 . 7192 1 295 . 1 1 24 24 PHE CE1 C 13 131.2 0.02 . 1 . . . . 24 PHE CE1 . 7192 1 296 . 1 1 24 24 PHE CE2 C 13 131.2 0.02 . 1 . . . . 24 PHE CE2 . 7192 1 297 . 1 1 24 24 PHE CZ C 13 129.8 0.2 . 1 . . . . 24 PHE CZ . 7192 1 298 . 1 1 24 24 PHE N N 15 118.5 0.2 . 1 . . . . 24 PHE N . 7192 1 299 . 1 1 25 25 TYR H H 1 8.34 0.02 . 1 . . . . 25 TYR H . 7192 1 300 . 1 1 25 25 TYR HA H 1 4.40 0.02 . 1 . . . . 25 TYR HA . 7192 1 301 . 1 1 25 25 TYR HB2 H 1 2.90 0.02 . 2 . . . . 25 TYR HB2 . 7192 1 302 . 1 1 25 25 TYR HB3 H 1 3.44 0.02 . 2 . . . . 25 TYR HB3 . 7192 1 303 . 1 1 25 25 TYR HD1 H 1 7.26 0.02 . 1 . . . . 25 TYR HD1 . 7192 1 304 . 1 1 25 25 TYR HD2 H 1 7.26 0.02 . 1 . . . . 25 TYR HD2 . 7192 1 305 . 1 1 25 25 TYR HE1 H 1 7.03 0.02 . 1 . . . . 25 TYR HE1 . 7192 1 306 . 1 1 25 25 TYR HE2 H 1 7.03 0.02 . 1 . . . . 25 TYR HE2 . 7192 1 307 . 1 1 25 25 TYR C C 13 175.7 0.2 . 1 . . . . 25 TYR C . 7192 1 308 . 1 1 25 25 TYR CA C 13 59.2 0.2 . 1 . . . . 25 TYR CA . 7192 1 309 . 1 1 25 25 TYR CB C 13 38.7 0.2 . 1 . . . . 25 TYR CB . 7192 1 310 . 1 1 25 25 TYR CD1 C 13 132.7 0.02 . 1 . . . . 25 TYR CD1 . 7192 1 311 . 1 1 25 25 TYR CD2 C 13 132.7 0.02 . 1 . . . . 25 TYR CD2 . 7192 1 312 . 1 1 25 25 TYR CE1 C 13 118.2 0.02 . 1 . . . . 25 TYR CE1 . 7192 1 313 . 1 1 25 25 TYR CE2 C 13 118.2 0.02 . 1 . . . . 25 TYR CE2 . 7192 1 314 . 1 1 25 25 TYR N N 15 114.5 0.2 . 1 . . . . 25 TYR N . 7192 1 315 . 1 1 26 26 GLY H H 1 8.46 0.02 . 1 . . . . 26 GLY H . 7192 1 316 . 1 1 26 26 GLY HA2 H 1 4.23 0.02 . 2 . . . . 26 GLY HA2 . 7192 1 317 . 1 1 26 26 GLY HA3 H 1 3.50 0.02 . 2 . . . . 26 GLY HA3 . 7192 1 318 . 1 1 26 26 GLY C C 13 174.7 0.2 . 1 . . . . 26 GLY C . 7192 1 319 . 1 1 26 26 GLY CA C 13 45.2 0.2 . 1 . . . . 26 GLY CA . 7192 1 320 . 1 1 26 26 GLY N N 15 109.7 0.2 . 1 . . . . 26 GLY N . 7192 1 321 . 1 1 27 27 ASP H H 1 8.40 0.02 . 1 . . . . 27 ASP H . 7192 1 322 . 1 1 27 27 ASP HA H 1 4.33 0.02 . 1 . . . . 27 ASP HA . 7192 1 323 . 1 1 27 27 ASP HB2 H 1 1.97 0.02 . 2 . . . . 27 ASP HB2 . 7192 1 324 . 1 1 27 27 ASP HB3 H 1 2.09 0.02 . 2 . . . . 27 ASP HB3 . 7192 1 325 . 1 1 27 27 ASP C C 13 175.7 0.2 . 1 . . . . 27 ASP C . 7192 1 326 . 1 1 27 27 ASP CA C 13 56.7 0.2 . 1 . . . . 27 ASP CA . 7192 1 327 . 1 1 27 27 ASP CB C 13 30.3 0.2 . 1 . . . . 27 ASP CB . 7192 1 328 . 1 1 27 27 ASP N N 15 122.7 0.2 . 1 . . . . 27 ASP N . 7192 1 329 . 1 1 28 28 GLU H H 1 7.96 0.02 . 1 . . . . 28 GLU H . 7192 1 330 . 1 1 28 28 GLU HA H 1 4.28 0.02 . 1 . . . . 28 GLU HA . 7192 1 331 . 1 1 28 28 GLU HB2 H 1 1.80 0.02 . 2 . . . . 28 GLU HB2 . 7192 1 332 . 1 1 28 28 GLU HB3 H 1 1.91 0.02 . 2 . . . . 28 GLU HB3 . 7192 1 333 . 1 1 28 28 GLU HG2 H 1 2.05 0.02 . 2 . . . . 28 GLU HG2 . 7192 1 334 . 1 1 28 28 GLU HG3 H 1 2.35 0.02 . 2 . . . . 28 GLU HG3 . 7192 1 335 . 1 1 28 28 GLU C C 13 175.2 0.2 . 1 . . . . 28 GLU C . 7192 1 336 . 1 1 28 28 GLU CA C 13 57.4 0.2 . 1 . . . . 28 GLU CA . 7192 1 337 . 1 1 28 28 GLU CB C 13 30.5 0.2 . 1 . . . . 28 GLU CB . 7192 1 338 . 1 1 28 28 GLU CG C 13 36.9 0.2 . 1 . . . . 28 GLU CG . 7192 1 339 . 1 1 28 28 GLU N N 15 126.1 0.2 . 1 . . . . 28 GLU N . 7192 1 340 . 1 1 29 29 VAL H H 1 8.55 0.02 . 1 . . . . 29 VAL H . 7192 1 341 . 1 1 29 29 VAL HA H 1 4.18 0.02 . 1 . . . . 29 VAL HA . 7192 1 342 . 1 1 29 29 VAL HB H 1 1.62 0.02 . 1 . . . . 29 VAL HB . 7192 1 343 . 1 1 29 29 VAL HG11 H 1 0.46 0.02 . 1 . . . . 29 VAL HG1 . 7192 1 344 . 1 1 29 29 VAL HG12 H 1 0.46 0.02 . 1 . . . . 29 VAL HG1 . 7192 1 345 . 1 1 29 29 VAL HG13 H 1 0.46 0.02 . 1 . . . . 29 VAL HG1 . 7192 1 346 . 1 1 29 29 VAL HG21 H 1 0.57 0.02 . 1 . . . . 29 VAL HG2 . 7192 1 347 . 1 1 29 29 VAL HG22 H 1 0.57 0.02 . 1 . . . . 29 VAL HG2 . 7192 1 348 . 1 1 29 29 VAL HG23 H 1 0.57 0.02 . 1 . . . . 29 VAL HG2 . 7192 1 349 . 1 1 29 29 VAL C C 13 176.0 0.2 . 1 . . . . 29 VAL C . 7192 1 350 . 1 1 29 29 VAL CA C 13 61.5 0.2 . 1 . . . . 29 VAL CA . 7192 1 351 . 1 1 29 29 VAL CB C 13 32.3 0.2 . 1 . . . . 29 VAL CB . 7192 1 352 . 1 1 29 29 VAL CG1 C 13 21.8 0.02 . 1 . . . . 29 VAL CG1 . 7192 1 353 . 1 1 29 29 VAL CG2 C 13 20.6 0.02 . 1 . . . . 29 VAL CG2 . 7192 1 354 . 1 1 29 29 VAL N N 15 123.5 0.2 . 1 . . . . 29 VAL N . 7192 1 355 . 1 1 30 30 THR H H 1 9.72 0.02 . 1 . . . . 30 THR H . 7192 1 356 . 1 1 30 30 THR HA H 1 5.01 0.02 . 1 . . . . 30 THR HA . 7192 1 357 . 1 1 30 30 THR HB H 1 4.57 0.02 . 1 . . . . 30 THR HB . 7192 1 358 . 1 1 30 30 THR HG21 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 7192 1 359 . 1 1 30 30 THR HG22 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 7192 1 360 . 1 1 30 30 THR HG23 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 7192 1 361 . 1 1 30 30 THR CA C 13 60.8 0.2 . 1 . . . . 30 THR CA . 7192 1 362 . 1 1 30 30 THR CB C 13 68.7 0.2 . 1 . . . . 30 THR CB . 7192 1 363 . 1 1 30 30 THR CG2 C 13 21.4 0.2 . 1 . . . . 30 THR CG2 . 7192 1 364 . 1 1 30 30 THR N N 15 122.3 0.2 . 1 . . . . 30 THR N . 7192 1 365 . 1 1 31 31 PRO HA H 1 4.51 0.02 . 1 . . . . 31 PRO HA . 7192 1 366 . 1 1 31 31 PRO HB2 H 1 1.82 0.02 . 2 . . . . 31 PRO HB2 . 7192 1 367 . 1 1 31 31 PRO HB3 H 1 2.47 0.02 . 2 . . . . 31 PRO HB3 . 7192 1 368 . 1 1 31 31 PRO HG2 H 1 1.97 0.02 . 2 . . . . 31 PRO HG2 . 7192 1 369 . 1 1 31 31 PRO HG3 H 1 2.08 0.02 . 2 . . . . 31 PRO HG3 . 7192 1 370 . 1 1 31 31 PRO HD2 H 1 3.71 0.02 . 2 . . . . 31 PRO HD2 . 7192 1 371 . 1 1 31 31 PRO HD3 H 1 3.97 0.02 . 2 . . . . 31 PRO HD3 . 7192 1 372 . 1 1 31 31 PRO C C 13 176.4 0.2 . 1 . . . . 31 PRO C . 7192 1 373 . 1 1 31 31 PRO CA C 13 65.2 0.2 . 1 . . . . 31 PRO CA . 7192 1 374 . 1 1 31 31 PRO CB C 13 32.6 0.2 . 1 . . . . 31 PRO CB . 7192 1 375 . 1 1 31 31 PRO CG C 13 28.1 0.2 . 1 . . . . 31 PRO CG . 7192 1 376 . 1 1 31 31 PRO CD C 13 51.6 0.2 . 1 . . . . 31 PRO CD . 7192 1 377 . 1 1 32 32 VAL H H 1 6.83 0.02 . 1 . . . . 32 VAL H . 7192 1 378 . 1 1 32 32 VAL HA H 1 4.45 0.02 . 1 . . . . 32 VAL HA . 7192 1 379 . 1 1 32 32 VAL HB H 1 2.33 0.02 . 1 . . . . 32 VAL HB . 7192 1 380 . 1 1 32 32 VAL HG11 H 1 0.83 0.02 . 1 . . . . 32 VAL HG1 . 7192 1 381 . 1 1 32 32 VAL HG12 H 1 0.83 0.02 . 1 . . . . 32 VAL HG1 . 7192 1 382 . 1 1 32 32 VAL HG13 H 1 0.83 0.02 . 1 . . . . 32 VAL HG1 . 7192 1 383 . 1 1 32 32 VAL HG21 H 1 0.73 0.02 . 1 . . . . 32 VAL HG2 . 7192 1 384 . 1 1 32 32 VAL HG22 H 1 0.73 0.02 . 1 . . . . 32 VAL HG2 . 7192 1 385 . 1 1 32 32 VAL HG23 H 1 0.73 0.02 . 1 . . . . 32 VAL HG2 . 7192 1 386 . 1 1 32 32 VAL C C 13 175.7 0.2 . 1 . . . . 32 VAL C . 7192 1 387 . 1 1 32 32 VAL CA C 13 60.6 0.2 . 1 . . . . 32 VAL CA . 7192 1 388 . 1 1 32 32 VAL CB C 13 31.2 0.2 . 1 . . . . 32 VAL CB . 7192 1 389 . 1 1 32 32 VAL CG1 C 13 21.4 0.02 . 1 . . . . 32 VAL CG1 . 7192 1 390 . 1 1 32 32 VAL CG2 C 13 18.8 0.02 . 1 . . . . 32 VAL CG2 . 7192 1 391 . 1 1 32 32 VAL N N 15 105.6 0.2 . 1 . . . . 32 VAL N . 7192 1 392 . 1 1 33 33 ASP H H 1 7.80 0.02 . 1 . . . . 33 ASP H . 7192 1 393 . 1 1 33 33 ASP HA H 1 4.91 0.02 . 1 . . . . 33 ASP HA . 7192 1 394 . 1 1 33 33 ASP HB2 H 1 2.70 0.02 . 2 . . . . 33 ASP HB2 . 7192 1 395 . 1 1 33 33 ASP HB3 H 1 2.90 0.02 . 2 . . . . 33 ASP HB3 . 7192 1 396 . 1 1 33 33 ASP C C 13 174.9 0.2 . 1 . . . . 33 ASP C . 7192 1 397 . 1 1 33 33 ASP CA C 13 55.1 0.2 . 1 . . . . 33 ASP CA . 7192 1 398 . 1 1 33 33 ASP CB C 13 43.9 0.2 . 1 . . . . 33 ASP CB . 7192 1 399 . 1 1 33 33 ASP N N 15 122.1 0.2 . 1 . . . . 33 ASP N . 7192 1 400 . 1 1 34 34 ASP H H 1 8.81 0.02 . 1 . . . . 34 ASP H . 7192 1 401 . 1 1 34 34 ASP HA H 1 5.06 0.02 . 1 . . . . 34 ASP HA . 7192 1 402 . 1 1 34 34 ASP HB2 H 1 2.68 0.02 . 2 . . . . 34 ASP HB2 . 7192 1 403 . 1 1 34 34 ASP HB3 H 1 3.09 0.02 . 2 . . . . 34 ASP HB3 . 7192 1 404 . 1 1 34 34 ASP C C 13 176.5 0.2 . 1 . . . . 34 ASP C . 7192 1 405 . 1 1 34 34 ASP CA C 13 53.7 0.2 . 1 . . . . 34 ASP CA . 7192 1 406 . 1 1 34 34 ASP CB C 13 41.6 0.2 . 1 . . . . 34 ASP CB . 7192 1 407 . 1 1 34 34 ASP N N 15 121.8 0.2 . 1 . . . . 34 ASP N . 7192 1 408 . 1 1 35 35 TYR H H 1 8.57 0.02 . 1 . . . . 35 TYR H . 7192 1 409 . 1 1 35 35 TYR HA H 1 5.22 0.02 . 1 . . . . 35 TYR HA . 7192 1 410 . 1 1 35 35 TYR HB2 H 1 2.86 0.02 . 2 . . . . 35 TYR HB2 . 7192 1 411 . 1 1 35 35 TYR HB3 H 1 2.89 0.02 . 2 . . . . 35 TYR HB3 . 7192 1 412 . 1 1 35 35 TYR HD1 H 1 6.84 0.02 . 1 . . . . 35 TYR HD1 . 7192 1 413 . 1 1 35 35 TYR HD2 H 1 6.84 0.02 . 1 . . . . 35 TYR HD2 . 7192 1 414 . 1 1 35 35 TYR HE1 H 1 6.61 0.02 . 1 . . . . 35 TYR HE1 . 7192 1 415 . 1 1 35 35 TYR HE2 H 1 6.61 0.02 . 1 . . . . 35 TYR HE2 . 7192 1 416 . 1 1 35 35 TYR C C 13 171.8 0.2 . 1 . . . . 35 TYR C . 7192 1 417 . 1 1 35 35 TYR CA C 13 56.3 0.2 . 1 . . . . 35 TYR CA . 7192 1 418 . 1 1 35 35 TYR CB C 13 40.7 0.2 . 1 . . . . 35 TYR CB . 7192 1 419 . 1 1 35 35 TYR CD1 C 13 134.5 0.02 . 1 . . . . 35 TYR CD1 . 7192 1 420 . 1 1 35 35 TYR CD2 C 13 134.5 0.02 . 1 . . . . 35 TYR CD2 . 7192 1 421 . 1 1 35 35 TYR CE1 C 13 118.0 0.02 . 1 . . . . 35 TYR CE1 . 7192 1 422 . 1 1 35 35 TYR CE2 C 13 118.0 0.02 . 1 . . . . 35 TYR CE2 . 7192 1 423 . 1 1 35 35 TYR N N 15 117.9 0.2 . 1 . . . . 35 TYR N . 7192 1 424 . 1 1 36 36 VAL H H 1 9.34 0.02 . 1 . . . . 36 VAL H . 7192 1 425 . 1 1 36 36 VAL HA H 1 4.66 0.02 . 1 . . . . 36 VAL HA . 7192 1 426 . 1 1 36 36 VAL HB H 1 1.73 0.02 . 1 . . . . 36 VAL HB . 7192 1 427 . 1 1 36 36 VAL HG11 H 1 0.30 0.02 . 1 . . . . 36 VAL HG1 . 7192 1 428 . 1 1 36 36 VAL HG12 H 1 0.30 0.02 . 1 . . . . 36 VAL HG1 . 7192 1 429 . 1 1 36 36 VAL HG13 H 1 0.30 0.02 . 1 . . . . 36 VAL HG1 . 7192 1 430 . 1 1 36 36 VAL HG21 H 1 0.68 0.02 . 1 . . . . 36 VAL HG2 . 7192 1 431 . 1 1 36 36 VAL HG22 H 1 0.68 0.02 . 1 . . . . 36 VAL HG2 . 7192 1 432 . 1 1 36 36 VAL HG23 H 1 0.68 0.02 . 1 . . . . 36 VAL HG2 . 7192 1 433 . 1 1 36 36 VAL C C 13 173.3 0.2 . 1 . . . . 36 VAL C . 7192 1 434 . 1 1 36 36 VAL CA C 13 59.3 0.2 . 1 . . . . 36 VAL CA . 7192 1 435 . 1 1 36 36 VAL CB C 13 35.1 0.2 . 1 . . . . 36 VAL CB . 7192 1 436 . 1 1 36 36 VAL CG1 C 13 22.1 0.02 . 1 . . . . 36 VAL CG1 . 7192 1 437 . 1 1 36 36 VAL CG2 C 13 22.0 0.02 . 1 . . . . 36 VAL CG2 . 7192 1 438 . 1 1 36 36 VAL N N 15 120.7 0.2 . 1 . . . . 36 VAL N . 7192 1 439 . 1 1 37 37 ILE H H 1 8.82 0.02 . 1 . . . . 37 ILE H . 7192 1 440 . 1 1 37 37 ILE HA H 1 4.82 0.02 . 1 . . . . 37 ILE HA . 7192 1 441 . 1 1 37 37 ILE HB H 1 1.61 0.02 . 1 . . . . 37 ILE HB . 7192 1 442 . 1 1 37 37 ILE HG12 H 1 0.98 0.02 . 2 . . . . 37 ILE HG12 . 7192 1 443 . 1 1 37 37 ILE HG13 H 1 1.43 0.02 . 2 . . . . 37 ILE HG13 . 7192 1 444 . 1 1 37 37 ILE HG21 H 1 0.77 0.02 . 1 . . . . 37 ILE HG2 . 7192 1 445 . 1 1 37 37 ILE HG22 H 1 0.77 0.02 . 1 . . . . 37 ILE HG2 . 7192 1 446 . 1 1 37 37 ILE HG23 H 1 0.77 0.02 . 1 . . . . 37 ILE HG2 . 7192 1 447 . 1 1 37 37 ILE HD11 H 1 0.82 0.02 . 1 . . . . 37 ILE HD1 . 7192 1 448 . 1 1 37 37 ILE HD12 H 1 0.82 0.02 . 1 . . . . 37 ILE HD1 . 7192 1 449 . 1 1 37 37 ILE HD13 H 1 0.82 0.02 . 1 . . . . 37 ILE HD1 . 7192 1 450 . 1 1 37 37 ILE C C 13 175.5 0.2 . 1 . . . . 37 ILE C . 7192 1 451 . 1 1 37 37 ILE CA C 13 59.7 0.2 . 1 . . . . 37 ILE CA . 7192 1 452 . 1 1 37 37 ILE CB C 13 40.6 0.2 . 1 . . . . 37 ILE CB . 7192 1 453 . 1 1 37 37 ILE CG1 C 13 27.6 0.2 . 1 . . . . 37 ILE CG1 . 7192 1 454 . 1 1 37 37 ILE CG2 C 13 17.9 0.2 . 1 . . . . 37 ILE CG2 . 7192 1 455 . 1 1 37 37 ILE CD1 C 13 14.3 0.2 . 1 . . . . 37 ILE CD1 . 7192 1 456 . 1 1 37 37 ILE N N 15 124.1 0.2 . 1 . . . . 37 ILE N . 7192 1 457 . 1 1 38 38 ASP H H 1 8.28 0.02 . 1 . . . . 38 ASP H . 7192 1 458 . 1 1 38 38 ASP HA H 1 4.43 0.02 . 1 . . . . 38 ASP HA . 7192 1 459 . 1 1 38 38 ASP HB2 H 1 1.98 0.02 . 2 . . . . 38 ASP HB2 . 7192 1 460 . 1 1 38 38 ASP HB3 H 1 0.84 0.02 . 2 . . . . 38 ASP HB3 . 7192 1 461 . 1 1 38 38 ASP C C 13 177.0 0.2 . 1 . . . . 38 ASP C . 7192 1 462 . 1 1 38 38 ASP CA C 13 51.4 0.2 . 1 . . . . 38 ASP CA . 7192 1 463 . 1 1 38 38 ASP CB C 13 41.2 0.2 . 1 . . . . 38 ASP CB . 7192 1 464 . 1 1 38 38 ASP N N 15 126.6 0.2 . 1 . . . . 38 ASP N . 7192 1 465 . 1 1 39 39 GLY H H 1 8.91 0.02 . 1 . . . . 39 GLY H . 7192 1 466 . 1 1 39 39 GLY HA2 H 1 3.64 0.02 . 2 . . . . 39 GLY HA2 . 7192 1 467 . 1 1 39 39 GLY HA3 H 1 3.85 0.02 . 2 . . . . 39 GLY HA3 . 7192 1 468 . 1 1 39 39 GLY C C 13 174.5 0.2 . 1 . . . . 39 GLY C . 7192 1 469 . 1 1 39 39 GLY CA C 13 47.6 0.2 . 1 . . . . 39 GLY CA . 7192 1 470 . 1 1 39 39 GLY N N 15 114.9 0.2 . 1 . . . . 39 GLY N . 7192 1 471 . 1 1 40 40 GLY H H 1 8.22 0.02 . 1 . . . . 40 GLY H . 7192 1 472 . 1 1 40 40 GLY HA2 H 1 3.90 0.02 . 1 . . . . 40 GLY HA2 . 7192 1 473 . 1 1 40 40 GLY HA3 H 1 3.90 0.02 . 1 . . . . 40 GLY HA3 . 7192 1 474 . 1 1 40 40 GLY C C 13 173.9 0.2 . 1 . . . . 40 GLY C . 7192 1 475 . 1 1 40 40 GLY CA C 13 45.0 0.2 . 1 . . . . 40 GLY CA . 7192 1 476 . 1 1 40 40 GLY N N 15 112.2 0.2 . 1 . . . . 40 GLY N . 7192 1 477 . 1 1 41 41 GLU H H 1 7.77 0.02 . 1 . . . . 41 GLU H . 7192 1 478 . 1 1 41 41 GLU HA H 1 4.75 0.02 . 1 . . . . 41 GLU HA . 7192 1 479 . 1 1 41 41 GLU HB2 H 1 1.79 0.02 . 2 . . . . 41 GLU HB2 . 7192 1 480 . 1 1 41 41 GLU HB3 H 1 1.87 0.02 . 2 . . . . 41 GLU HB3 . 7192 1 481 . 1 1 41 41 GLU HG2 H 1 2.36 0.02 . 2 . . . . 41 GLU HG2 . 7192 1 482 . 1 1 41 41 GLU HG3 H 1 2.43 0.02 . 2 . . . . 41 GLU HG3 . 7192 1 483 . 1 1 41 41 GLU C C 13 174.8 0.2 . 1 . . . . 41 GLU C . 7192 1 484 . 1 1 41 41 GLU CA C 13 54.3 0.2 . 1 . . . . 41 GLU CA . 7192 1 485 . 1 1 41 41 GLU CB C 13 30.3 0.2 . 1 . . . . 41 GLU CB . 7192 1 486 . 1 1 41 41 GLU CG C 13 34.7 0.2 . 1 . . . . 41 GLU CG . 7192 1 487 . 1 1 41 41 GLU N N 15 120.2 0.2 . 1 . . . . 41 GLU N . 7192 1 488 . 1 1 42 42 ILE H H 1 8.72 0.02 . 1 . . . . 42 ILE H . 7192 1 489 . 1 1 42 42 ILE HA H 1 4.78 0.02 . 1 . . . . 42 ILE HA . 7192 1 490 . 1 1 42 42 ILE HB H 1 1.61 0.02 . 1 . . . . 42 ILE HB . 7192 1 491 . 1 1 42 42 ILE HG12 H 1 1.01 0.02 . 2 . . . . 42 ILE HG12 . 7192 1 492 . 1 1 42 42 ILE HG13 H 1 1.36 0.02 . 2 . . . . 42 ILE HG13 . 7192 1 493 . 1 1 42 42 ILE HG21 H 1 0.56 0.02 . 1 . . . . 42 ILE HG2 . 7192 1 494 . 1 1 42 42 ILE HG22 H 1 0.56 0.02 . 1 . . . . 42 ILE HG2 . 7192 1 495 . 1 1 42 42 ILE HG23 H 1 0.56 0.02 . 1 . . . . 42 ILE HG2 . 7192 1 496 . 1 1 42 42 ILE HD11 H 1 0.51 0.02 . 1 . . . . 42 ILE HD1 . 7192 1 497 . 1 1 42 42 ILE HD12 H 1 0.51 0.02 . 1 . . . . 42 ILE HD1 . 7192 1 498 . 1 1 42 42 ILE HD13 H 1 0.51 0.02 . 1 . . . . 42 ILE HD1 . 7192 1 499 . 1 1 42 42 ILE C C 13 174.8 0.2 . 1 . . . . 42 ILE C . 7192 1 500 . 1 1 42 42 ILE CA C 13 59.2 0.2 . 1 . . . . 42 ILE CA . 7192 1 501 . 1 1 42 42 ILE CB C 13 40.3 0.2 . 1 . . . . 42 ILE CB . 7192 1 502 . 1 1 42 42 ILE CG1 C 13 27.8 0.2 . 1 . . . . 42 ILE CG1 . 7192 1 503 . 1 1 42 42 ILE CG2 C 13 17.6 0.2 . 1 . . . . 42 ILE CG2 . 7192 1 504 . 1 1 42 42 ILE CD1 C 13 13.3 0.2 . 1 . . . . 42 ILE CD1 . 7192 1 505 . 1 1 42 42 ILE N N 15 122.0 0.2 . 1 . . . . 42 ILE N . 7192 1 506 . 1 1 43 43 ILE H H 1 9.23 0.02 . 1 . . . . 43 ILE H . 7192 1 507 . 1 1 43 43 ILE HA H 1 4.48 0.02 . 1 . . . . 43 ILE HA . 7192 1 508 . 1 1 43 43 ILE HB H 1 1.23 0.02 . 1 . . . . 43 ILE HB . 7192 1 509 . 1 1 43 43 ILE HG12 H 1 -0.39 0.02 . 2 . . . . 43 ILE HG12 . 7192 1 510 . 1 1 43 43 ILE HG13 H 1 0.66 0.02 . 2 . . . . 43 ILE HG13 . 7192 1 511 . 1 1 43 43 ILE HG21 H 1 0.82 0.02 . 1 . . . . 43 ILE HG2 . 7192 1 512 . 1 1 43 43 ILE HG22 H 1 0.82 0.02 . 1 . . . . 43 ILE HG2 . 7192 1 513 . 1 1 43 43 ILE HG23 H 1 0.82 0.02 . 1 . . . . 43 ILE HG2 . 7192 1 514 . 1 1 43 43 ILE HD11 H 1 -0.21 0.02 . 1 . . . . 43 ILE HD1 . 7192 1 515 . 1 1 43 43 ILE HD12 H 1 -0.21 0.02 . 1 . . . . 43 ILE HD1 . 7192 1 516 . 1 1 43 43 ILE HD13 H 1 -0.21 0.02 . 1 . . . . 43 ILE HD1 . 7192 1 517 . 1 1 43 43 ILE C C 13 176.4 0.2 . 1 . . . . 43 ILE C . 7192 1 518 . 1 1 43 43 ILE CA C 13 61.0 0.2 . 1 . . . . 43 ILE CA . 7192 1 519 . 1 1 43 43 ILE CB C 13 42.3 0.2 . 1 . . . . 43 ILE CB . 7192 1 520 . 1 1 43 43 ILE CG1 C 13 29.4 0.2 . 1 . . . . 43 ILE CG1 . 7192 1 521 . 1 1 43 43 ILE CG2 C 13 21.3 0.2 . 1 . . . . 43 ILE CG2 . 7192 1 522 . 1 1 43 43 ILE CD1 C 13 16.8 0.2 . 1 . . . . 43 ILE CD1 . 7192 1 523 . 1 1 43 43 ILE N N 15 126.4 0.2 . 1 . . . . 43 ILE N . 7192 1 524 . 1 1 44 44 LEU H H 1 10.93 0.02 . 1 . . . . 44 LEU H . 7192 1 525 . 1 1 44 44 LEU HA H 1 4.28 0.02 . 1 . . . . 44 LEU HA . 7192 1 526 . 1 1 44 44 LEU HB2 H 1 1.65 0.02 . 2 . . . . 44 LEU HB2 . 7192 1 527 . 1 1 44 44 LEU HB3 H 1 1.89 0.02 . 2 . . . . 44 LEU HB3 . 7192 1 528 . 1 1 44 44 LEU HG H 1 1.71 0.02 . 1 . . . . 44 LEU HG . 7192 1 529 . 1 1 44 44 LEU HD11 H 1 1.06 0.02 . 2 . . . . 44 LEU HD1 . 7192 1 530 . 1 1 44 44 LEU HD12 H 1 1.06 0.02 . 2 . . . . 44 LEU HD1 . 7192 1 531 . 1 1 44 44 LEU HD13 H 1 1.06 0.02 . 2 . . . . 44 LEU HD1 . 7192 1 532 . 1 1 44 44 LEU HD21 H 1 1.06 0.02 . 2 . . . . 44 LEU HD2 . 7192 1 533 . 1 1 44 44 LEU HD22 H 1 1.06 0.02 . 2 . . . . 44 LEU HD2 . 7192 1 534 . 1 1 44 44 LEU HD23 H 1 1.06 0.02 . 2 . . . . 44 LEU HD2 . 7192 1 535 . 1 1 44 44 LEU C C 13 179.3 0.2 . 1 . . . . 44 LEU C . 7192 1 536 . 1 1 44 44 LEU CA C 13 56.5 0.2 . 1 . . . . 44 LEU CA . 7192 1 537 . 1 1 44 44 LEU CB C 13 42.6 0.2 . 1 . . . . 44 LEU CB . 7192 1 538 . 1 1 44 44 LEU CG C 13 27.8 0.2 . 1 . . . . 44 LEU CG . 7192 1 539 . 1 1 44 44 LEU CD1 C 13 25.5 0.02 . 1 . . . . 44 LEU CD1 . 7192 1 540 . 1 1 44 44 LEU CD2 C 13 25.5 0.02 . 1 . . . . 44 LEU CD2 . 7192 1 541 . 1 1 44 44 LEU N N 15 130.9 0.2 . 1 . . . . 44 LEU N . 7192 1 542 . 1 1 45 45 ARG H H 1 8.61 0.02 . 1 . . . . 45 ARG H . 7192 1 543 . 1 1 45 45 ARG HA H 1 3.89 0.02 . 1 . . . . 45 ARG HA . 7192 1 544 . 1 1 45 45 ARG HB2 H 1 1.69 0.02 . 2 . . . . 45 ARG HB2 . 7192 1 545 . 1 1 45 45 ARG HB3 H 1 2.02 0.02 . 2 . . . . 45 ARG HB3 . 7192 1 546 . 1 1 45 45 ARG HG2 H 1 1.69 0.02 . 2 . . . . 45 ARG HG2 . 7192 1 547 . 1 1 45 45 ARG HG3 H 1 1.78 0.02 . 2 . . . . 45 ARG HG3 . 7192 1 548 . 1 1 45 45 ARG HD2 H 1 3.28 0.02 . 2 . . . . 45 ARG HD2 . 7192 1 549 . 1 1 45 45 ARG HD3 H 1 3.36 0.02 . 2 . . . . 45 ARG HD3 . 7192 1 550 . 1 1 45 45 ARG HE H 1 7.76 0.02 . 1 . . . . 45 ARG HE . 7192 1 551 . 1 1 45 45 ARG C C 13 179.3 0.2 . 1 . . . . 45 ARG C . 7192 1 552 . 1 1 45 45 ARG CA C 13 60.2 0.2 . 1 . . . . 45 ARG CA . 7192 1 553 . 1 1 45 45 ARG CB C 13 29.4 0.2 . 1 . . . . 45 ARG CB . 7192 1 554 . 1 1 45 45 ARG CG C 13 27.6 0.2 . 1 . . . . 45 ARG CG . 7192 1 555 . 1 1 45 45 ARG CD C 13 42.9 0.2 . 1 . . . . 45 ARG CD . 7192 1 556 . 1 1 45 45 ARG N N 15 125.4 0.2 . 1 . . . . 45 ARG N . 7192 1 557 . 1 1 45 45 ARG NE N 15 83.32 0.2 . 1 . . . . 45 ARG NE . 7192 1 558 . 1 1 46 46 GLU H H 1 9.02 0.02 . 1 . . . . 46 GLU H . 7192 1 559 . 1 1 46 46 GLU HA H 1 4.21 0.02 . 1 . . . . 46 GLU HA . 7192 1 560 . 1 1 46 46 GLU HB2 H 1 2.01 0.02 . 1 . . . . 46 GLU HB2 . 7192 1 561 . 1 1 46 46 GLU HB3 H 1 2.01 0.02 . 1 . . . . 46 GLU HB3 . 7192 1 562 . 1 1 46 46 GLU HG2 H 1 2.26 0.02 . 2 . . . . 46 GLU HG2 . 7192 1 563 . 1 1 46 46 GLU HG3 H 1 2.32 0.02 . 2 . . . . 46 GLU HG3 . 7192 1 564 . 1 1 46 46 GLU C C 13 176.7 0.2 . 1 . . . . 46 GLU C . 7192 1 565 . 1 1 46 46 GLU CA C 13 59.0 0.2 . 1 . . . . 46 GLU CA . 7192 1 566 . 1 1 46 46 GLU CB C 13 29.6 0.2 . 1 . . . . 46 GLU CB . 7192 1 567 . 1 1 46 46 GLU CG C 13 36.4 0.2 . 1 . . . . 46 GLU CG . 7192 1 568 . 1 1 46 46 GLU N N 15 117.5 0.2 . 1 . . . . 46 GLU N . 7192 1 569 . 1 1 47 47 ASN H H 1 7.87 0.02 . 1 . . . . 47 ASN H . 7192 1 570 . 1 1 47 47 ASN HA H 1 5.10 0.02 . 1 . . . . 47 ASN HA . 7192 1 571 . 1 1 47 47 ASN HB2 H 1 2.96 0.02 . 2 . . . . 47 ASN HB2 . 7192 1 572 . 1 1 47 47 ASN HB3 H 1 3.34 0.02 . 2 . . . . 47 ASN HB3 . 7192 1 573 . 1 1 47 47 ASN C C 13 175.2 0.2 . 1 . . . . 47 ASN C . 7192 1 574 . 1 1 47 47 ASN CA C 13 52.8 0.2 . 1 . . . . 47 ASN CA . 7192 1 575 . 1 1 47 47 ASN CB C 13 40.5 0.2 . 1 . . . . 47 ASN CB . 7192 1 576 . 1 1 47 47 ASN N N 15 115.9 0.2 . 1 . . . . 47 ASN N . 7192 1 577 . 1 1 48 48 LEU H H 1 7.76 0.02 . 1 . . . . 48 LEU H . 7192 1 578 . 1 1 48 48 LEU HA H 1 4.06 0.02 . 1 . . . . 48 LEU HA . 7192 1 579 . 1 1 48 48 LEU HB2 H 1 1.52 0.02 . 2 . . . . 48 LEU HB2 . 7192 1 580 . 1 1 48 48 LEU HB3 H 1 2.16 0.02 . 2 . . . . 48 LEU HB3 . 7192 1 581 . 1 1 48 48 LEU HG H 1 1.67 0.02 . 1 . . . . 48 LEU HG . 7192 1 582 . 1 1 48 48 LEU HD11 H 1 1.05 0.02 . 1 . . . . 48 LEU HD1 . 7192 1 583 . 1 1 48 48 LEU HD12 H 1 1.05 0.02 . 1 . . . . 48 LEU HD1 . 7192 1 584 . 1 1 48 48 LEU HD13 H 1 1.05 0.02 . 1 . . . . 48 LEU HD1 . 7192 1 585 . 1 1 48 48 LEU HD21 H 1 1.07 0.02 . 1 . . . . 48 LEU HD2 . 7192 1 586 . 1 1 48 48 LEU HD22 H 1 1.07 0.02 . 1 . . . . 48 LEU HD2 . 7192 1 587 . 1 1 48 48 LEU HD23 H 1 1.07 0.02 . 1 . . . . 48 LEU HD2 . 7192 1 588 . 1 1 48 48 LEU C C 13 177.2 0.2 . 1 . . . . 48 LEU C . 7192 1 589 . 1 1 48 48 LEU CA C 13 59.0 0.2 . 1 . . . . 48 LEU CA . 7192 1 590 . 1 1 48 48 LEU CB C 13 42.8 0.2 . 1 . . . . 48 LEU CB . 7192 1 591 . 1 1 48 48 LEU CG C 13 27.1 0.2 . 1 . . . . 48 LEU CG . 7192 1 592 . 1 1 48 48 LEU CD1 C 13 23.5 0.02 . 1 . . . . 48 LEU CD1 . 7192 1 593 . 1 1 48 48 LEU CD2 C 13 25.6 0.02 . 1 . . . . 48 LEU CD2 . 7192 1 594 . 1 1 48 48 LEU N N 15 122.3 0.2 . 1 . . . . 48 LEU N . 7192 1 595 . 1 1 49 49 GLU H H 1 8.77 0.02 . 1 . . . . 49 GLU H . 7192 1 596 . 1 1 49 49 GLU HA H 1 3.67 0.02 . 1 . . . . 49 GLU HA . 7192 1 597 . 1 1 49 49 GLU HB2 H 1 1.56 0.02 . 2 . . . . 49 GLU HB2 . 7192 1 598 . 1 1 49 49 GLU HB3 H 1 1.72 0.02 . 2 . . . . 49 GLU HB3 . 7192 1 599 . 1 1 49 49 GLU HG2 H 1 1.56 0.02 . 2 . . . . 49 GLU HG2 . 7192 1 600 . 1 1 49 49 GLU HG3 H 1 1.61 0.02 . 2 . . . . 49 GLU HG3 . 7192 1 601 . 1 1 49 49 GLU C C 13 176.2 0.2 . 1 . . . . 49 GLU C . 7192 1 602 . 1 1 49 49 GLU CA C 13 61.3 0.2 . 1 . . . . 49 GLU CA . 7192 1 603 . 1 1 49 49 GLU CB C 13 28.2 0.2 . 1 . . . . 49 GLU CB . 7192 1 604 . 1 1 49 49 GLU CG C 13 36.3 0.2 . 1 . . . . 49 GLU CG . 7192 1 605 . 1 1 49 49 GLU N N 15 118.8 0.2 . 1 . . . . 49 GLU N . 7192 1 606 . 1 1 50 50 ARG H H 1 8.00 0.02 . 1 . . . . 50 ARG H . 7192 1 607 . 1 1 50 50 ARG HA H 1 3.86 0.02 . 1 . . . . 50 ARG HA . 7192 1 608 . 1 1 50 50 ARG HB2 H 1 1.66 0.02 . 2 . . . . 50 ARG HB2 . 7192 1 609 . 1 1 50 50 ARG HB3 H 1 1.75 0.02 . 2 . . . . 50 ARG HB3 . 7192 1 610 . 1 1 50 50 ARG HG2 H 1 1.53 0.02 . 1 . . . . 50 ARG HG2 . 7192 1 611 . 1 1 50 50 ARG HG3 H 1 1.53 0.02 . 1 . . . . 50 ARG HG3 . 7192 1 612 . 1 1 50 50 ARG HD2 H 1 2.03 0.02 . 2 . . . . 50 ARG HD2 . 7192 1 613 . 1 1 50 50 ARG HD3 H 1 2.74 0.02 . 2 . . . . 50 ARG HD3 . 7192 1 614 . 1 1 50 50 ARG HE H 1 6.93 0.02 . 1 . . . . 50 ARG HE . 7192 1 615 . 1 1 50 50 ARG C C 13 174.1 0.2 . 1 . . . . 50 ARG C . 7192 1 616 . 1 1 50 50 ARG CA C 13 60.1 0.2 . 1 . . . . 50 ARG CA . 7192 1 617 . 1 1 50 50 ARG CB C 13 29.9 0.2 . 1 . . . . 50 ARG CB . 7192 1 618 . 1 1 50 50 ARG CG C 13 26.0 0.2 . 1 . . . . 50 ARG CG . 7192 1 619 . 1 1 50 50 ARG CD C 13 44.3 0.2 . 1 . . . . 50 ARG CD . 7192 1 620 . 1 1 50 50 ARG N N 15 119.1 0.2 . 1 . . . . 50 ARG N . 7192 1 621 . 1 1 50 50 ARG NE N 15 85.3 0.2 . 1 . . . . 50 ARG NE . 7192 1 622 . 1 1 51 51 TYR H H 1 8.25 0.02 . 1 . . . . 51 TYR H . 7192 1 623 . 1 1 51 51 TYR HA H 1 4.61 0.02 . 1 . . . . 51 TYR HA . 7192 1 624 . 1 1 51 51 TYR HB2 H 1 3.24 0.02 . 2 . . . . 51 TYR HB2 . 7192 1 625 . 1 1 51 51 TYR HB3 H 1 3.31 0.02 . 2 . . . . 51 TYR HB3 . 7192 1 626 . 1 1 51 51 TYR HD1 H 1 6.47 0.02 . 1 . . . . 51 TYR HD1 . 7192 1 627 . 1 1 51 51 TYR HD2 H 1 6.47 0.02 . 1 . . . . 51 TYR HD2 . 7192 1 628 . 1 1 51 51 TYR HE1 H 1 7.03 0.02 . 1 . . . . 51 TYR HE1 . 7192 1 629 . 1 1 51 51 TYR HE2 H 1 7.03 0.02 . 1 . . . . 51 TYR HE2 . 7192 1 630 . 1 1 51 51 TYR C C 13 178.5 0.2 . 1 . . . . 51 TYR C . 7192 1 631 . 1 1 51 51 TYR CA C 13 61.7 0.2 . 1 . . . . 51 TYR CA . 7192 1 632 . 1 1 51 51 TYR CB C 13 40.0 0.2 . 1 . . . . 51 TYR CB . 7192 1 633 . 1 1 51 51 TYR CD1 C 13 132.2 0.02 . 1 . . . . 51 TYR CD1 . 7192 1 634 . 1 1 51 51 TYR CD2 C 13 132.2 0.02 . 1 . . . . 51 TYR CD2 . 7192 1 635 . 1 1 51 51 TYR CE1 C 13 118.2 0.02 . 1 . . . . 51 TYR CE1 . 7192 1 636 . 1 1 51 51 TYR CE2 C 13 118.2 0.02 . 1 . . . . 51 TYR CE2 . 7192 1 637 . 1 1 51 51 TYR N N 15 120.4 0.2 . 1 . . . . 51 TYR N . 7192 1 638 . 1 1 52 52 LEU H H 1 9.03 0.02 . 1 . . . . 52 LEU H . 7192 1 639 . 1 1 52 52 LEU HA H 1 3.69 0.02 . 1 . . . . 52 LEU HA . 7192 1 640 . 1 1 52 52 LEU HB2 H 1 0.90 0.02 . 2 . . . . 52 LEU HB2 . 7192 1 641 . 1 1 52 52 LEU HB3 H 1 2.13 0.02 . 2 . . . . 52 LEU HB3 . 7192 1 642 . 1 1 52 52 LEU HG H 1 2.19 0.02 . 1 . . . . 52 LEU HG . 7192 1 643 . 1 1 52 52 LEU HD11 H 1 0.95 0.02 . 1 . . . . 52 LEU HD1 . 7192 1 644 . 1 1 52 52 LEU HD12 H 1 0.95 0.02 . 1 . . . . 52 LEU HD1 . 7192 1 645 . 1 1 52 52 LEU HD13 H 1 0.95 0.02 . 1 . . . . 52 LEU HD1 . 7192 1 646 . 1 1 52 52 LEU HD21 H 1 0.42 0.02 . 1 . . . . 52 LEU HD2 . 7192 1 647 . 1 1 52 52 LEU HD22 H 1 0.42 0.02 . 1 . . . . 52 LEU HD2 . 7192 1 648 . 1 1 52 52 LEU HD23 H 1 0.42 0.02 . 1 . . . . 52 LEU HD2 . 7192 1 649 . 1 1 52 52 LEU C C 13 180.0 0.2 . 1 . . . . 52 LEU C . 7192 1 650 . 1 1 52 52 LEU CA C 13 57.6 0.2 . 1 . . . . 52 LEU CA . 7192 1 651 . 1 1 52 52 LEU CB C 13 40.8 0.2 . 1 . . . . 52 LEU CB . 7192 1 652 . 1 1 52 52 LEU CG C 13 26.5 0.2 . 1 . . . . 52 LEU CG . 7192 1 653 . 1 1 52 52 LEU CD1 C 13 27.3 0.02 . 1 . . . . 52 LEU CD1 . 7192 1 654 . 1 1 52 52 LEU CD2 C 13 22.9 0.02 . 1 . . . . 52 LEU CD2 . 7192 1 655 . 1 1 52 52 LEU N N 15 118.3 0.2 . 1 . . . . 52 LEU N . 7192 1 656 . 1 1 53 53 ARG H H 1 8.53 0.02 . 1 . . . . 53 ARG H . 7192 1 657 . 1 1 53 53 ARG HA H 1 4.82 0.02 . 1 . . . . 53 ARG HA . 7192 1 658 . 1 1 53 53 ARG HB2 H 1 2.07 0.02 . 1 . . . . 53 ARG HB2 . 7192 1 659 . 1 1 53 53 ARG HB3 H 1 2.07 0.02 . 1 . . . . 53 ARG HB3 . 7192 1 660 . 1 1 53 53 ARG HG2 H 1 1.77 0.02 . 2 . . . . 53 ARG HG2 . 7192 1 661 . 1 1 53 53 ARG HG3 H 1 2.04 0.02 . 2 . . . . 53 ARG HG3 . 7192 1 662 . 1 1 53 53 ARG HD2 H 1 3.37 0.02 . 1 . . . . 53 ARG HD2 . 7192 1 663 . 1 1 53 53 ARG HD3 H 1 3.37 0.02 . 1 . . . . 53 ARG HD3 . 7192 1 664 . 1 1 53 53 ARG HE H 1 7.46 0.02 . 1 . . . . 53 ARG HE . 7192 1 665 . 1 1 53 53 ARG C C 13 179.1 0.2 . 1 . . . . 53 ARG C . 7192 1 666 . 1 1 53 53 ARG CA C 13 59.3 0.2 . 1 . . . . 53 ARG CA . 7192 1 667 . 1 1 53 53 ARG CB C 13 31.9 0.2 . 1 . . . . 53 ARG CB . 7192 1 668 . 1 1 53 53 ARG CG C 13 28.1 0.2 . 1 . . . . 53 ARG CG . 7192 1 669 . 1 1 53 53 ARG CD C 13 43.9 0.2 . 1 . . . . 53 ARG CD . 7192 1 670 . 1 1 53 53 ARG N N 15 119.4 0.2 . 1 . . . . 53 ARG N . 7192 1 671 . 1 1 53 53 ARG NE N 15 84.7 0.2 . 1 . . . . 53 ARG NE . 7192 1 672 . 1 1 54 54 GLU H H 1 9.09 0.02 . 1 . . . . 54 GLU H . 7192 1 673 . 1 1 54 54 GLU HA H 1 4.10 0.02 . 1 . . . . 54 GLU HA . 7192 1 674 . 1 1 54 54 GLU HB2 H 1 2.15 0.02 . 2 . . . . 54 GLU HB2 . 7192 1 675 . 1 1 54 54 GLU HB3 H 1 2.23 0.02 . 2 . . . . 54 GLU HB3 . 7192 1 676 . 1 1 54 54 GLU HG2 H 1 2.38 0.02 . 2 . . . . 54 GLU HG2 . 7192 1 677 . 1 1 54 54 GLU HG3 H 1 2.72 0.02 . 2 . . . . 54 GLU HG3 . 7192 1 678 . 1 1 54 54 GLU C C 13 178.7 0.2 . 1 . . . . 54 GLU C . 7192 1 679 . 1 1 54 54 GLU CA C 13 59.3 0.2 . 1 . . . . 54 GLU CA . 7192 1 680 . 1 1 54 54 GLU CB C 13 31.0 0.2 . 1 . . . . 54 GLU CB . 7192 1 681 . 1 1 54 54 GLU CG C 13 37.5 0.2 . 1 . . . . 54 GLU CG . 7192 1 682 . 1 1 54 54 GLU N N 15 116.7 0.2 . 1 . . . . 54 GLU N . 7192 1 683 . 1 1 55 55 GLN H H 1 8.76 0.02 . 1 . . . . 55 GLN H . 7192 1 684 . 1 1 55 55 GLN HA H 1 4.29 0.02 . 1 . . . . 55 GLN HA . 7192 1 685 . 1 1 55 55 GLN HB2 H 1 1.24 0.02 . 2 . . . . 55 GLN HB2 . 7192 1 686 . 1 1 55 55 GLN HB3 H 1 1.55 0.02 . 2 . . . . 55 GLN HB3 . 7192 1 687 . 1 1 55 55 GLN HG2 H 1 1.70 0.02 . 2 . . . . 55 GLN HG2 . 7192 1 688 . 1 1 55 55 GLN HG3 H 1 1.88 0.02 . 2 . . . . 55 GLN HG3 . 7192 1 689 . 1 1 55 55 GLN HE21 H 1 7.66 0.02 . 1 . . . . 55 GLN HE21 . 7192 1 690 . 1 1 55 55 GLN HE22 H 1 7.14 0.02 . 1 . . . . 55 GLN HE22 . 7192 1 691 . 1 1 55 55 GLN C C 13 177.7 0.2 . 1 . . . . 55 GLN C . 7192 1 692 . 1 1 55 55 GLN CA C 13 55.8 0.2 . 1 . . . . 55 GLN CA . 7192 1 693 . 1 1 55 55 GLN CB C 13 28.0 0.2 . 1 . . . . 55 GLN CB . 7192 1 694 . 1 1 55 55 GLN CG C 13 34.7 0.2 . 1 . . . . 55 GLN CG . 7192 1 695 . 1 1 55 55 GLN N N 15 113.9 0.2 . 1 . . . . 55 GLN N . 7192 1 696 . 1 1 55 55 GLN NE2 N 15 113.3 0.2 . 1 . . . . 55 GLN NE2 . 7192 1 697 . 1 1 56 56 LEU H H 1 6.65 0.02 . 1 . . . . 56 LEU H . 7192 1 698 . 1 1 56 56 LEU HA H 1 4.70 0.02 . 1 . . . . 56 LEU HA . 7192 1 699 . 1 1 56 56 LEU HB2 H 1 1.72 0.02 . 2 . . . . 56 LEU HB2 . 7192 1 700 . 1 1 56 56 LEU HB3 H 1 2.03 0.02 . 2 . . . . 56 LEU HB3 . 7192 1 701 . 1 1 56 56 LEU HG H 1 1.39 0.02 . 1 . . . . 56 LEU HG . 7192 1 702 . 1 1 56 56 LEU HD11 H 1 0.82 0.02 . 1 . . . . 56 LEU HD1 . 7192 1 703 . 1 1 56 56 LEU HD12 H 1 0.82 0.02 . 1 . . . . 56 LEU HD1 . 7192 1 704 . 1 1 56 56 LEU HD13 H 1 0.82 0.02 . 1 . . . . 56 LEU HD1 . 7192 1 705 . 1 1 56 56 LEU HD21 H 1 0.88 0.02 . 1 . . . . 56 LEU HD2 . 7192 1 706 . 1 1 56 56 LEU HD22 H 1 0.88 0.02 . 1 . . . . 56 LEU HD2 . 7192 1 707 . 1 1 56 56 LEU HD23 H 1 0.88 0.02 . 1 . . . . 56 LEU HD2 . 7192 1 708 . 1 1 56 56 LEU C C 13 178.0 0.2 . 1 . . . . 56 LEU C . 7192 1 709 . 1 1 56 56 LEU CA C 13 55.3 0.2 . 1 . . . . 56 LEU CA . 7192 1 710 . 1 1 56 56 LEU CB C 13 43.8 0.2 . 1 . . . . 56 LEU CB . 7192 1 711 . 1 1 56 56 LEU CG C 13 29.2 0.2 . 1 . . . . 56 LEU CG . 7192 1 712 . 1 1 56 56 LEU CD1 C 13 26.2 0.02 . 1 . . . . 56 LEU CD1 . 7192 1 713 . 1 1 56 56 LEU CD2 C 13 24.5 0.02 . 1 . . . . 56 LEU CD2 . 7192 1 714 . 1 1 56 56 LEU N N 15 116.2 0.2 . 1 . . . . 56 LEU N . 7192 1 715 . 1 1 57 57 GLY H H 1 7.16 0.02 . 1 . . . . 57 GLY H . 7192 1 716 . 1 1 57 57 GLY HA2 H 1 4.07 0.02 . 1 . . . . 57 GLY HA2 . 7192 1 717 . 1 1 57 57 GLY HA3 H 1 4.07 0.02 . 1 . . . . 57 GLY HA3 . 7192 1 718 . 1 1 57 57 GLY C C 13 175.0 0.2 . 1 . . . . 57 GLY C . 7192 1 719 . 1 1 57 57 GLY CA C 13 46.9 0.2 . 1 . . . . 57 GLY CA . 7192 1 720 . 1 1 57 57 GLY N N 15 109.0 0.2 . 1 . . . . 57 GLY N . 7192 1 721 . 1 1 58 58 PHE H H 1 8.48 0.02 . 1 . . . . 58 PHE H . 7192 1 722 . 1 1 58 58 PHE HA H 1 4.69 0.02 . 1 . . . . 58 PHE HA . 7192 1 723 . 1 1 58 58 PHE HB2 H 1 2.34 0.02 . 2 . . . . 58 PHE HB2 . 7192 1 724 . 1 1 58 58 PHE HB3 H 1 2.72 0.02 . 2 . . . . 58 PHE HB3 . 7192 1 725 . 1 1 58 58 PHE HD1 H 1 6.94 0.02 . 1 . . . . 58 PHE HD1 . 7192 1 726 . 1 1 58 58 PHE HD2 H 1 6.94 0.02 . 1 . . . . 58 PHE HD2 . 7192 1 727 . 1 1 58 58 PHE HE1 H 1 7.12 0.02 . 1 . . . . 58 PHE HE1 . 7192 1 728 . 1 1 58 58 PHE HE2 H 1 7.12 0.02 . 1 . . . . 58 PHE HE2 . 7192 1 729 . 1 1 58 58 PHE HZ H 1 7.07 0.02 . 1 . . . . 58 PHE HZ . 7192 1 730 . 1 1 58 58 PHE C C 13 175.7 0.2 . 1 . . . . 58 PHE C . 7192 1 731 . 1 1 58 58 PHE CA C 13 57.9 0.2 . 1 . . . . 58 PHE CA . 7192 1 732 . 1 1 58 58 PHE CB C 13 39.5 0.2 . 1 . . . . 58 PHE CB . 7192 1 733 . 1 1 58 58 PHE CD1 C 13 130.4 0.02 . 1 . . . . 58 PHE CD1 . 7192 1 734 . 1 1 58 58 PHE CD2 C 13 130.4 0.02 . 1 . . . . 58 PHE CD2 . 7192 1 735 . 1 1 58 58 PHE CE1 C 13 130.9 0.02 . 1 . . . . 58 PHE CE1 . 7192 1 736 . 1 1 58 58 PHE CE2 C 13 130.9 0.02 . 1 . . . . 58 PHE CE2 . 7192 1 737 . 1 1 58 58 PHE CZ C 13 129.3 0.2 . 1 . . . . 58 PHE CZ . 7192 1 738 . 1 1 58 58 PHE N N 15 123.1 0.2 . 1 . . . . 58 PHE N . 7192 1 739 . 1 1 59 59 GLU H H 1 8.44 0.02 . 1 . . . . 59 GLU H . 7192 1 740 . 1 1 59 59 GLU HA H 1 4.82 0.02 . 1 . . . . 59 GLU HA . 7192 1 741 . 1 1 59 59 GLU HB2 H 1 1.84 0.02 . 2 . . . . 59 GLU HB2 . 7192 1 742 . 1 1 59 59 GLU HB3 H 1 1.96 0.02 . 2 . . . . 59 GLU HB3 . 7192 1 743 . 1 1 59 59 GLU HG2 H 1 2.11 0.02 . 2 . . . . 59 GLU HG2 . 7192 1 744 . 1 1 59 59 GLU HG3 H 1 2.28 0.02 . 2 . . . . 59 GLU HG3 . 7192 1 745 . 1 1 59 59 GLU C C 13 174.7 0.2 . 1 . . . . 59 GLU C . 7192 1 746 . 1 1 59 59 GLU CA C 13 54.6 0.2 . 1 . . . . 59 GLU CA . 7192 1 747 . 1 1 59 59 GLU CB C 13 32.8 0.2 . 1 . . . . 59 GLU CB . 7192 1 748 . 1 1 59 59 GLU CG C 13 36.2 0.2 . 1 . . . . 59 GLU CG . 7192 1 749 . 1 1 59 59 GLU N N 15 118.6 0.2 . 1 . . . . 59 GLU N . 7192 1 750 . 1 1 60 60 PHE H H 1 9.11 0.02 . 1 . . . . 60 PHE H . 7192 1 751 . 1 1 60 60 PHE HA H 1 4.47 0.02 . 1 . . . . 60 PHE HA . 7192 1 752 . 1 1 60 60 PHE HB2 H 1 2.95 0.02 . 1 . . . . 60 PHE HB2 . 7192 1 753 . 1 1 60 60 PHE HB3 H 1 2.95 0.02 . 1 . . . . 60 PHE HB3 . 7192 1 754 . 1 1 60 60 PHE HD1 H 1 7.32 0.02 . 1 . . . . 60 PHE HD1 . 7192 1 755 . 1 1 60 60 PHE HD2 H 1 7.32 0.02 . 1 . . . . 60 PHE HD2 . 7192 1 756 . 1 1 60 60 PHE HE1 H 1 7.16 0.02 . 1 . . . . 60 PHE HE1 . 7192 1 757 . 1 1 60 60 PHE HE2 H 1 7.16 0.02 . 1 . . . . 60 PHE HE2 . 7192 1 758 . 1 1 60 60 PHE HZ H 1 7.22 0.02 . 1 . . . . 60 PHE HZ . 7192 1 759 . 1 1 60 60 PHE C C 13 175.1 0.2 . 1 . . . . 60 PHE C . 7192 1 760 . 1 1 60 60 PHE CA C 13 58.1 0.2 . 1 . . . . 60 PHE CA . 7192 1 761 . 1 1 60 60 PHE CB C 13 39.9 0.2 . 1 . . . . 60 PHE CB . 7192 1 762 . 1 1 60 60 PHE CD1 C 13 132.3 0.02 . 1 . . . . 60 PHE CD1 . 7192 1 763 . 1 1 60 60 PHE CD2 C 13 132.3 0.02 . 1 . . . . 60 PHE CD2 . 7192 1 764 . 1 1 60 60 PHE CE1 C 13 130.8 0.02 . 1 . . . . 60 PHE CE1 . 7192 1 765 . 1 1 60 60 PHE CE2 C 13 130.8 0.02 . 1 . . . . 60 PHE CE2 . 7192 1 766 . 1 1 60 60 PHE CZ C 13 128.3 0.2 . 1 . . . . 60 PHE CZ . 7192 1 767 . 1 1 60 60 PHE N N 15 124.3 0.2 . 1 . . . . 60 PHE N . 7192 1 768 . 1 1 61 61 LYS H H 1 8.51 0.02 . 1 . . . . 61 LYS H . 7192 1 769 . 1 1 61 61 LYS HA H 1 4.36 0.02 . 1 . . . . 61 LYS HA . 7192 1 770 . 1 1 61 61 LYS HB2 H 1 0.35 0.02 . 2 . . . . 61 LYS HB2 . 7192 1 771 . 1 1 61 61 LYS HB3 H 1 1.01 0.02 . 2 . . . . 61 LYS HB3 . 7192 1 772 . 1 1 61 61 LYS HG2 H 1 0.87 0.02 . 2 . . . . 61 LYS HG2 . 7192 1 773 . 1 1 61 61 LYS HG3 H 1 0.99 0.02 . 2 . . . . 61 LYS HG3 . 7192 1 774 . 1 1 61 61 LYS HD2 H 1 1.47 0.02 . 2 . . . . 61 LYS HD2 . 7192 1 775 . 1 1 61 61 LYS HD3 H 1 1.50 0.02 . 2 . . . . 61 LYS HD3 . 7192 1 776 . 1 1 61 61 LYS HE2 H 1 2.75 0.02 . 2 . . . . 61 LYS HE2 . 7192 1 777 . 1 1 61 61 LYS HE3 H 1 2.90 0.02 . 2 . . . . 61 LYS HE3 . 7192 1 778 . 1 1 61 61 LYS C C 13 174.7 0.2 . 1 . . . . 61 LYS C . 7192 1 779 . 1 1 61 61 LYS CA C 13 53.8 0.2 . 1 . . . . 61 LYS CA . 7192 1 780 . 1 1 61 61 LYS CB C 13 31.3 0.2 . 1 . . . . 61 LYS CB . 7192 1 781 . 1 1 61 61 LYS CG C 13 23.9 0.2 . 1 . . . . 61 LYS CG . 7192 1 782 . 1 1 61 61 LYS CD C 13 27.9 0.2 . 1 . . . . 61 LYS CD . 7192 1 783 . 1 1 61 61 LYS CE C 13 42.2 0.2 . 1 . . . . 61 LYS CE . 7192 1 784 . 1 1 61 61 LYS N N 15 124.9 0.2 . 1 . . . . 61 LYS N . 7192 1 785 . 1 1 62 62 ASN H H 1 8.40 0.02 . 1 . . . . 62 ASN H . 7192 1 786 . 1 1 62 62 ASN HA H 1 4.91 0.02 . 1 . . . . 62 ASN HA . 7192 1 787 . 1 1 62 62 ASN HB2 H 1 2.69 0.02 . 2 . . . . 62 ASN HB2 . 7192 1 788 . 1 1 62 62 ASN HB3 H 1 2.80 0.02 . 2 . . . . 62 ASN HB3 . 7192 1 789 . 1 1 62 62 ASN C C 13 175.5 0.2 . 1 . . . . 62 ASN C . 7192 1 790 . 1 1 62 62 ASN CA C 13 52.4 0.2 . 1 . . . . 62 ASN CA . 7192 1 791 . 1 1 62 62 ASN CB C 13 39.4 0.2 . 1 . . . . 62 ASN CB . 7192 1 792 . 1 1 62 62 ASN N N 15 121.8 0.2 . 1 . . . . 62 ASN N . 7192 1 793 . 1 1 63 63 ALA H H 1 8.96 0.02 . 1 . . . . 63 ALA H . 7192 1 794 . 1 1 63 63 ALA HA H 1 4.17 0.02 . 1 . . . . 63 ALA HA . 7192 1 795 . 1 1 63 63 ALA HB1 H 1 1.32 0.02 . 1 . . . . 63 ALA HB . 7192 1 796 . 1 1 63 63 ALA HB2 H 1 1.32 0.02 . 1 . . . . 63 ALA HB . 7192 1 797 . 1 1 63 63 ALA HB3 H 1 1.32 0.02 . 1 . . . . 63 ALA HB . 7192 1 798 . 1 1 63 63 ALA C C 13 178.2 0.2 . 1 . . . . 63 ALA C . 7192 1 799 . 1 1 63 63 ALA CA C 13 53.3 0.2 . 1 . . . . 63 ALA CA . 7192 1 800 . 1 1 63 63 ALA CB C 13 19.3 0.2 . 1 . . . . 63 ALA CB . 7192 1 801 . 1 1 63 63 ALA N N 15 126.2 0.2 . 1 . . . . 63 ALA N . 7192 1 802 . 1 1 64 64 GLN H H 1 8.57 0.02 . 1 . . . . 64 GLN H . 7192 1 803 . 1 1 64 64 GLN HA H 1 4.28 0.02 . 1 . . . . 64 GLN HA . 7192 1 804 . 1 1 64 64 GLN HB2 H 1 2.02 0.02 . 2 . . . . 64 GLN HB2 . 7192 1 805 . 1 1 64 64 GLN HB3 H 1 2.14 0.02 . 2 . . . . 64 GLN HB3 . 7192 1 806 . 1 1 64 64 GLN HG2 H 1 2.41 0.02 . 1 . . . . 64 GLN HG2 . 7192 1 807 . 1 1 64 64 GLN HG3 H 1 2.41 0.02 . 1 . . . . 64 GLN HG3 . 7192 1 808 . 1 1 64 64 GLN HE21 H 1 7.58 0.02 . 1 . . . . 64 GLN HE21 . 7192 1 809 . 1 1 64 64 GLN HE22 H 1 6.90 0.02 . 1 . . . . 64 GLN HE22 . 7192 1 810 . 1 1 64 64 GLN C C 13 176.2 0.2 . 1 . . . . 64 GLN C . 7192 1 811 . 1 1 64 64 GLN CA C 13 56.3 0.2 . 1 . . . . 64 GLN CA . 7192 1 812 . 1 1 64 64 GLN CB C 13 29.4 0.2 . 1 . . . . 64 GLN CB . 7192 1 813 . 1 1 64 64 GLN CG C 13 34.0 0.2 . 1 . . . . 64 GLN CG . 7192 1 814 . 1 1 64 64 GLN N N 15 119.9 0.2 . 1 . . . . 64 GLN N . 7192 1 815 . 1 1 64 64 GLN NE2 N 15 112.7 0.2 . 1 . . . . 64 GLN NE2 . 7192 1 816 . 1 1 65 65 LEU H H 1 8.08 0.02 . 1 . . . . 65 LEU H . 7192 1 817 . 1 1 65 65 LEU HA H 1 4.32 0.02 . 1 . . . . 65 LEU HA . 7192 1 818 . 1 1 65 65 LEU HB2 H 1 1.55 0.02 . 1 . . . . 65 LEU HB2 . 7192 1 819 . 1 1 65 65 LEU HB3 H 1 1.55 0.02 . 1 . . . . 65 LEU HB3 . 7192 1 820 . 1 1 65 65 LEU HG H 1 1.56 0.02 . 1 . . . . 65 LEU HG . 7192 1 821 . 1 1 65 65 LEU HD11 H 1 0.88 0.02 . 1 . . . . 65 LEU HD1 . 7192 1 822 . 1 1 65 65 LEU HD12 H 1 0.88 0.02 . 1 . . . . 65 LEU HD1 . 7192 1 823 . 1 1 65 65 LEU HD13 H 1 0.88 0.02 . 1 . . . . 65 LEU HD1 . 7192 1 824 . 1 1 65 65 LEU HD21 H 1 0.82 0.02 . 1 . . . . 65 LEU HD2 . 7192 1 825 . 1 1 65 65 LEU HD22 H 1 0.82 0.02 . 1 . . . . 65 LEU HD2 . 7192 1 826 . 1 1 65 65 LEU HD23 H 1 0.82 0.02 . 1 . . . . 65 LEU HD2 . 7192 1 827 . 1 1 65 65 LEU C C 13 177.2 0.2 . 1 . . . . 65 LEU C . 7192 1 828 . 1 1 65 65 LEU CA C 13 55.3 0.2 . 1 . . . . 65 LEU CA . 7192 1 829 . 1 1 65 65 LEU CB C 13 42.7 0.2 . 1 . . . . 65 LEU CB . 7192 1 830 . 1 1 65 65 LEU CG C 13 27.1 0.2 . 1 . . . . 65 LEU CG . 7192 1 831 . 1 1 65 65 LEU CD1 C 13 25.1 0.02 . 1 . . . . 65 LEU CD1 . 7192 1 832 . 1 1 65 65 LEU CD2 C 13 23.6 0.02 . 1 . . . . 65 LEU CD2 . 7192 1 833 . 1 1 65 65 LEU N N 15 121.7 0.2 . 1 . . . . 65 LEU N . 7192 1 834 . 1 1 66 66 GLU H H 1 8.29 0.02 . 1 . . . . 66 GLU H . 7192 1 835 . 1 1 66 66 GLU HA H 1 4.19 0.02 . 1 . . . . 66 GLU HA . 7192 1 836 . 1 1 66 66 GLU HB2 H 1 1.89 0.02 . 1 . . . . 66 GLU HB2 . 7192 1 837 . 1 1 66 66 GLU HB3 H 1 1.89 0.02 . 1 . . . . 66 GLU HB3 . 7192 1 838 . 1 1 66 66 GLU HG2 H 1 2.16 0.02 . 2 . . . . 66 GLU HG2 . 7192 1 839 . 1 1 66 66 GLU HG3 H 1 2.21 0.02 . 2 . . . . 66 GLU HG3 . 7192 1 840 . 1 1 66 66 GLU C C 13 176.3 0.2 . 1 . . . . 66 GLU C . 7192 1 841 . 1 1 66 66 GLU CA C 13 56.8 0.2 . 1 . . . . 66 GLU CA . 7192 1 842 . 1 1 66 66 GLU CB C 13 30.4 0.2 . 1 . . . . 66 GLU CB . 7192 1 843 . 1 1 66 66 GLU CG C 13 36.2 0.2 . 1 . . . . 66 GLU CG . 7192 1 844 . 1 1 66 66 GLU N N 15 120.4 0.2 . 1 . . . . 66 GLU N . 7192 1 845 . 1 1 67 67 HIS H H 1 8.28 0.02 . 1 . . . . 67 HIS H . 7192 1 846 . 1 1 67 67 HIS HA H 1 4.62 0.02 . 1 . . . . 67 HIS HA . 7192 1 847 . 1 1 67 67 HIS HB2 H 1 3.03 0.02 . 2 . . . . 67 HIS HB2 . 7192 1 848 . 1 1 67 67 HIS HB3 H 1 3.07 0.02 . 2 . . . . 67 HIS HB3 . 7192 1 849 . 1 1 67 67 HIS HD2 H 1 7.09 0.02 . 1 . . . . 67 HIS HD2 . 7192 1 850 . 1 1 67 67 HIS C C 13 173.9 0.2 . 1 . . . . 67 HIS C . 7192 1 851 . 1 1 67 67 HIS CA C 13 55.9 0.2 . 1 . . . . 67 HIS CA . 7192 1 852 . 1 1 67 67 HIS CB C 13 30.1 0.2 . 1 . . . . 67 HIS CB . 7192 1 853 . 1 1 67 67 HIS CD2 C 13 120.2 0.2 . 1 . . . . 67 HIS CD2 . 7192 1 854 . 1 1 67 67 HIS N N 15 119.3 0.2 . 1 . . . . 67 HIS N . 7192 1 855 . 1 1 68 68 HIS H H 1 8.18 0.02 . 1 . . . . 68 HIS H . 7192 1 856 . 1 1 68 68 HIS HA H 1 4.44 0.02 . 1 . . . . 68 HIS HA . 7192 1 857 . 1 1 68 68 HIS HB2 H 1 3.09 0.02 . 2 . . . . 68 HIS HB2 . 7192 1 858 . 1 1 68 68 HIS HB3 H 1 3.21 0.02 . 2 . . . . 68 HIS HB3 . 7192 1 859 . 1 1 68 68 HIS CA C 13 57.3 0.2 . 1 . . . . 68 HIS CA . 7192 1 860 . 1 1 68 68 HIS CB C 13 30.2 0.2 . 1 . . . . 68 HIS CB . 7192 1 861 . 1 1 68 68 HIS N N 15 125.3 0.2 . 1 . . . . 68 HIS N . 7192 1 862 . 1 1 69 69 HIS HD2 H 1 7.00 0.02 . 1 . . . . 69 HIS HD2 . 7192 1 863 . 1 1 69 69 HIS CD2 C 13 119.6 0.2 . 1 . . . . 69 HIS CD2 . 7192 1 stop_ save_