data_6812 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6812 _Entry.Title ; ta0938 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-08 _Entry.Accession_date 2005-09-08 _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 'Structural genomics target TA0938 from Thermoplasma acidophilum' _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 Daniel Monleon . . . 6812 2 Sofia Nunes . . . 6812 3 Adelinda Yee . . . 6812 4 Cheryl Arrowsmith . . . 6812 5 Bernardo Celda . . . 6812 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6812 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 6812 '15N chemical shifts' 107 6812 '1H chemical shifts' 641 6812 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 . . 2007-02-08 2005-09-08 update BMRB 'complete entry citation' 6812 1 . . 2006-06-28 2005-09-08 original author 'original release' 6812 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6812 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16703419 _Citation.Full_citation . _Citation.Title ; Resonance Assignments for the Hypothetical Protein TA0938 from Termoplasma Acidophilum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 36 _Citation.Page_last 36 _Citation.Year 2006 _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 Daniel Monleon . . . 6812 1 2 Sofia Nunes . . . 6812 1 3 Vicent Esteve . . . 6812 1 4 Adelinda Yee . . . 6812 1 5 Cheryl Arrowsmith . . . 6812 1 6 Bernardo Celda . . . 6812 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6812 _Assembly.ID 1 _Assembly.Name ta0938 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 unknown _Assembly.Molecular_mass . _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 ta0938 1 $ta0938 . . yes native no no . . . 6812 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ta0938 _Entity.Sf_category entity _Entity.Sf_framecode ta0938 _Entity.Entry_ID 6812 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ta0938 _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 ; MSEVNIVVNGREAGSKSKGC ALCGATWGDYHADFLGEDLF FCCDICAAEFMNMMDEAFKH TARHNVDELHIDGNYQLGRN VLLKNGEDRLRFYVKFGPGA VIKEFKITD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 2FQH . "Nmr Structure Of Hypothetical Protein Ta0938 From Termoplasma Acidophilum" . . . . . 100.00 109 100.00 100.00 4.15e-74 . . . . 6812 1 2 no EMBL CAC12067 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 110 100.00 100.00 3.80e-74 . . . . 6812 1 3 no REF NP_394396 . "hypothetical protein Ta0938 [Thermoplasma acidophilum DSM 1728]" . . . . . 100.00 110 100.00 100.00 3.80e-74 . . . . 6812 1 4 no REF WP_010901347 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 110 100.00 100.00 3.80e-74 . . . . 6812 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 . 6812 1 2 . SER . 6812 1 3 . GLU . 6812 1 4 . VAL . 6812 1 5 . ASN . 6812 1 6 . ILE . 6812 1 7 . VAL . 6812 1 8 . VAL . 6812 1 9 . ASN . 6812 1 10 . GLY . 6812 1 11 . ARG . 6812 1 12 . GLU . 6812 1 13 . ALA . 6812 1 14 . GLY . 6812 1 15 . SER . 6812 1 16 . LYS . 6812 1 17 . SER . 6812 1 18 . LYS . 6812 1 19 . GLY . 6812 1 20 . CYS . 6812 1 21 . ALA . 6812 1 22 . LEU . 6812 1 23 . CYS . 6812 1 24 . GLY . 6812 1 25 . ALA . 6812 1 26 . THR . 6812 1 27 . TRP . 6812 1 28 . GLY . 6812 1 29 . ASP . 6812 1 30 . TYR . 6812 1 31 . HIS . 6812 1 32 . ALA . 6812 1 33 . ASP . 6812 1 34 . PHE . 6812 1 35 . LEU . 6812 1 36 . GLY . 6812 1 37 . GLU . 6812 1 38 . ASP . 6812 1 39 . LEU . 6812 1 40 . PHE . 6812 1 41 . PHE . 6812 1 42 . CYS . 6812 1 43 . CYS . 6812 1 44 . ASP . 6812 1 45 . ILE . 6812 1 46 . CYS . 6812 1 47 . ALA . 6812 1 48 . ALA . 6812 1 49 . GLU . 6812 1 50 . PHE . 6812 1 51 . MET . 6812 1 52 . ASN . 6812 1 53 . MET . 6812 1 54 . MET . 6812 1 55 . ASP . 6812 1 56 . GLU . 6812 1 57 . ALA . 6812 1 58 . PHE . 6812 1 59 . LYS . 6812 1 60 . HIS . 6812 1 61 . THR . 6812 1 62 . ALA . 6812 1 63 . ARG . 6812 1 64 . HIS . 6812 1 65 . ASN . 6812 1 66 . VAL . 6812 1 67 . ASP . 6812 1 68 . GLU . 6812 1 69 . LEU . 6812 1 70 . HIS . 6812 1 71 . ILE . 6812 1 72 . ASP . 6812 1 73 . GLY . 6812 1 74 . ASN . 6812 1 75 . TYR . 6812 1 76 . GLN . 6812 1 77 . LEU . 6812 1 78 . GLY . 6812 1 79 . ARG . 6812 1 80 . ASN . 6812 1 81 . VAL . 6812 1 82 . LEU . 6812 1 83 . LEU . 6812 1 84 . LYS . 6812 1 85 . ASN . 6812 1 86 . GLY . 6812 1 87 . GLU . 6812 1 88 . ASP . 6812 1 89 . ARG . 6812 1 90 . LEU . 6812 1 91 . ARG . 6812 1 92 . PHE . 6812 1 93 . TYR . 6812 1 94 . VAL . 6812 1 95 . LYS . 6812 1 96 . PHE . 6812 1 97 . GLY . 6812 1 98 . PRO . 6812 1 99 . GLY . 6812 1 100 . ALA . 6812 1 101 . VAL . 6812 1 102 . ILE . 6812 1 103 . LYS . 6812 1 104 . GLU . 6812 1 105 . PHE . 6812 1 106 . LYS . 6812 1 107 . ILE . 6812 1 108 . THR . 6812 1 109 . ASP . 6812 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 6812 1 . SER 2 2 6812 1 . GLU 3 3 6812 1 . VAL 4 4 6812 1 . ASN 5 5 6812 1 . ILE 6 6 6812 1 . VAL 7 7 6812 1 . VAL 8 8 6812 1 . ASN 9 9 6812 1 . GLY 10 10 6812 1 . ARG 11 11 6812 1 . GLU 12 12 6812 1 . ALA 13 13 6812 1 . GLY 14 14 6812 1 . SER 15 15 6812 1 . LYS 16 16 6812 1 . SER 17 17 6812 1 . LYS 18 18 6812 1 . GLY 19 19 6812 1 . CYS 20 20 6812 1 . ALA 21 21 6812 1 . LEU 22 22 6812 1 . CYS 23 23 6812 1 . GLY 24 24 6812 1 . ALA 25 25 6812 1 . THR 26 26 6812 1 . TRP 27 27 6812 1 . GLY 28 28 6812 1 . ASP 29 29 6812 1 . TYR 30 30 6812 1 . HIS 31 31 6812 1 . ALA 32 32 6812 1 . ASP 33 33 6812 1 . PHE 34 34 6812 1 . LEU 35 35 6812 1 . GLY 36 36 6812 1 . GLU 37 37 6812 1 . ASP 38 38 6812 1 . LEU 39 39 6812 1 . PHE 40 40 6812 1 . PHE 41 41 6812 1 . CYS 42 42 6812 1 . CYS 43 43 6812 1 . ASP 44 44 6812 1 . ILE 45 45 6812 1 . CYS 46 46 6812 1 . ALA 47 47 6812 1 . ALA 48 48 6812 1 . GLU 49 49 6812 1 . PHE 50 50 6812 1 . MET 51 51 6812 1 . ASN 52 52 6812 1 . MET 53 53 6812 1 . MET 54 54 6812 1 . ASP 55 55 6812 1 . GLU 56 56 6812 1 . ALA 57 57 6812 1 . PHE 58 58 6812 1 . LYS 59 59 6812 1 . HIS 60 60 6812 1 . THR 61 61 6812 1 . ALA 62 62 6812 1 . ARG 63 63 6812 1 . HIS 64 64 6812 1 . ASN 65 65 6812 1 . VAL 66 66 6812 1 . ASP 67 67 6812 1 . GLU 68 68 6812 1 . LEU 69 69 6812 1 . HIS 70 70 6812 1 . ILE 71 71 6812 1 . ASP 72 72 6812 1 . GLY 73 73 6812 1 . ASN 74 74 6812 1 . TYR 75 75 6812 1 . GLN 76 76 6812 1 . LEU 77 77 6812 1 . GLY 78 78 6812 1 . ARG 79 79 6812 1 . ASN 80 80 6812 1 . VAL 81 81 6812 1 . LEU 82 82 6812 1 . LEU 83 83 6812 1 . LYS 84 84 6812 1 . ASN 85 85 6812 1 . GLY 86 86 6812 1 . GLU 87 87 6812 1 . ASP 88 88 6812 1 . ARG 89 89 6812 1 . LEU 90 90 6812 1 . ARG 91 91 6812 1 . PHE 92 92 6812 1 . TYR 93 93 6812 1 . VAL 94 94 6812 1 . LYS 95 95 6812 1 . PHE 96 96 6812 1 . GLY 97 97 6812 1 . PRO 98 98 6812 1 . GLY 99 99 6812 1 . ALA 100 100 6812 1 . VAL 101 101 6812 1 . ILE 102 102 6812 1 . LYS 103 103 6812 1 . GLU 104 104 6812 1 . PHE 105 105 6812 1 . LYS 106 106 6812 1 . ILE 107 107 6812 1 . THR 108 108 6812 1 . ASP 109 109 6812 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 6812 _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 $ta0938 . 2303 . no . 'Thermoplasma acidophilum' . . Archaea 'Not applicable' Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 6812 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 6812 _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 $ta0938 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6812 _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 ta0938 '[U-15N; U-13C]' . . 1 $ta0938 . . 1 . . mM 0.2 . . . 6812 1 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6812 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 6812 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 6.5, 25 mM sodium phosphate' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6812 1 temperature 298 0.1 K 6812 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz _NMR_spectrometer.Entry_ID 6812 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 6812 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 6812 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 2 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 3 CBCA(CO)HN no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 4 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 5 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 6 H(CC)(C)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 7 CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6812 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 6812 _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 . . . . . . . . . 6812 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6812 1 N 15 . . . . . . . . . . . . . . . . . . . . 6812 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 6812 _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 6812 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 HA H 1 4.35 0.02 . 1 . . . . 1 MET HA . 6812 1 2 . 1 1 1 1 MET HB2 H 1 1.99 0.02 . 2 . . . . 1 MET HB2 . 6812 1 3 . 1 1 1 1 MET HB3 H 1 1.95 0.02 . 2 . . . . 1 MET HB3 . 6812 1 4 . 1 1 1 1 MET HG2 H 1 2.31 0.02 . 1 . . . . 1 MET QG . 6812 1 5 . 1 1 1 1 MET HG3 H 1 2.31 0.02 . 1 . . . . 1 MET QG . 6812 1 6 . 1 1 1 1 MET C C 13 171.11 0.20 . 1 . . . . 1 MET C . 6812 1 7 . 1 1 1 1 MET CA C 13 55.58 0.20 . 1 . . . . 1 MET CA . 6812 1 8 . 1 1 1 1 MET CB C 13 32.75 0.20 . 1 . . . . 1 MET CB . 6812 1 9 . 1 1 1 1 MET CG C 13 30.07 0.20 . 1 . . . . 1 MET CG . 6812 1 10 . 1 1 2 2 SER H H 1 8.34 0.02 . 1 . . . . 2 SER H . 6812 1 11 . 1 1 2 2 SER HA H 1 4.48 0.02 . 1 . . . . 2 SER HA . 6812 1 12 . 1 1 2 2 SER HB2 H 1 3.80 0.02 . 1 . . . . 2 SER QB . 6812 1 13 . 1 1 2 2 SER HB3 H 1 3.80 0.02 . 1 . . . . 2 SER QB . 6812 1 14 . 1 1 2 2 SER HG H 1 5.31 0.02 . 1 . . . . 2 SER HG . 6812 1 15 . 1 1 2 2 SER C C 13 170.70 0.20 . 1 . . . . 2 SER C . 6812 1 16 . 1 1 2 2 SER CA C 13 58.38 0.20 . 1 . . . . 2 SER CA . 6812 1 17 . 1 1 2 2 SER CB C 13 64.11 0.20 . 1 . . . . 2 SER CB . 6812 1 18 . 1 1 2 2 SER N N 15 116.90 0.20 . 1 . . . . 2 SER N . 6812 1 19 . 1 1 3 3 GLU H H 1 8.64 0.02 . 1 . . . . 3 GLU H . 6812 1 20 . 1 1 3 3 GLU HA H 1 4.16 0.02 . 1 . . . . 3 GLU HA . 6812 1 21 . 1 1 3 3 GLU HB2 H 1 2.04 0.02 . 1 . . . . 3 GLU QB . 6812 1 22 . 1 1 3 3 GLU HB3 H 1 2.04 0.02 . 1 . . . . 3 GLU QB . 6812 1 23 . 1 1 3 3 GLU HG2 H 1 2.13 0.02 . 1 . . . . 3 GLU QG . 6812 1 24 . 1 1 3 3 GLU HG3 H 1 2.13 0.02 . 1 . . . . 3 GLU QG . 6812 1 25 . 1 1 3 3 GLU C C 13 173.88 0.20 . 1 . . . . 3 GLU C . 6812 1 26 . 1 1 3 3 GLU CA C 13 56.24 0.20 . 1 . . . . 3 GLU CA . 6812 1 27 . 1 1 3 3 GLU CB C 13 30.51 0.20 . 1 . . . . 3 GLU CB . 6812 1 28 . 1 1 3 3 GLU CG C 13 33.71 0.20 . 1 . . . . 3 GLU CG . 6812 1 29 . 1 1 3 3 GLU N N 15 123.50 0.20 . 1 . . . . 3 GLU N . 6812 1 30 . 1 1 4 4 VAL H H 1 8.28 0.02 . 1 . . . . 4 VAL H . 6812 1 31 . 1 1 4 4 VAL HA H 1 4.51 0.02 . 1 . . . . 4 VAL HA . 6812 1 32 . 1 1 4 4 VAL HB H 1 1.79 0.02 . 1 . . . . 4 VAL HB . 6812 1 33 . 1 1 4 4 VAL HG11 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 34 . 1 1 4 4 VAL HG12 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 35 . 1 1 4 4 VAL HG13 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 36 . 1 1 4 4 VAL HG21 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 37 . 1 1 4 4 VAL HG22 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 38 . 1 1 4 4 VAL HG23 H 1 0.71 0.02 . 1 . . . . 4 VAL HG2 . 6812 1 39 . 1 1 4 4 VAL C C 13 176.33 0.20 . 1 . . . . 4 VAL C . 6812 1 40 . 1 1 4 4 VAL CA C 13 55.10 0.20 . 1 . . . . 4 VAL CA . 6812 1 41 . 1 1 4 4 VAL CB C 13 29.73 0.20 . 1 . . . . 4 VAL CB . 6812 1 42 . 1 1 4 4 VAL CG1 C 13 19.56 0.20 . 1 . . . . 4 VAL CG1 . 6812 1 43 . 1 1 4 4 VAL CG2 C 13 18.60 0.20 . 1 . . . . 4 VAL CG2 . 6812 1 44 . 1 1 4 4 VAL N N 15 119.40 0.20 . 1 . . . . 4 VAL N . 6812 1 45 . 1 1 5 5 ASN H H 1 8.51 0.02 . 1 . . . . 5 ASN H . 6812 1 46 . 1 1 5 5 ASN HA H 1 5.01 0.02 . 1 . . . . 5 ASN HA . 6812 1 47 . 1 1 5 5 ASN HB2 H 1 2.66 0.02 . 1 . . . . 5 ASN QB . 6812 1 48 . 1 1 5 5 ASN HB3 H 1 2.66 0.02 . 1 . . . . 5 ASN QB . 6812 1 49 . 1 1 5 5 ASN C C 13 177.60 0.20 . 1 . . . . 5 ASN C . 6812 1 50 . 1 1 5 5 ASN CA C 13 54.90 0.20 . 1 . . . . 5 ASN CA . 6812 1 51 . 1 1 5 5 ASN CB C 13 42.40 0.20 . 1 . . . . 5 ASN CB . 6812 1 52 . 1 1 5 5 ASN N N 15 122.70 0.20 . 1 . . . . 5 ASN N . 6812 1 53 . 1 1 6 6 ILE H H 1 7.66 0.02 . 1 . . . . 6 ILE H . 6812 1 54 . 1 1 6 6 ILE HA H 1 4.85 0.02 . 1 . . . . 6 ILE HA . 6812 1 55 . 1 1 6 6 ILE HB H 1 1.73 0.02 . 1 . . . . 6 ILE HB . 6812 1 56 . 1 1 6 6 ILE HG12 H 1 1.11 0.02 . 1 . . . . 6 ILE QG1 . 6812 1 57 . 1 1 6 6 ILE HG13 H 1 1.11 0.02 . 1 . . . . 6 ILE QG1 . 6812 1 58 . 1 1 6 6 ILE HG21 H 1 0.71 0.02 . 1 . . . . 6 ILE QG2 . 6812 1 59 . 1 1 6 6 ILE HG22 H 1 0.71 0.02 . 1 . . . . 6 ILE QG2 . 6812 1 60 . 1 1 6 6 ILE HG23 H 1 0.71 0.02 . 1 . . . . 6 ILE QG2 . 6812 1 61 . 1 1 6 6 ILE HD11 H 1 0.62 0.02 . 1 . . . . 6 ILE QD1 . 6812 1 62 . 1 1 6 6 ILE HD12 H 1 0.62 0.02 . 1 . . . . 6 ILE QD1 . 6812 1 63 . 1 1 6 6 ILE HD13 H 1 0.62 0.02 . 1 . . . . 6 ILE QD1 . 6812 1 64 . 1 1 6 6 ILE C C 13 173.70 0.20 . 1 . . . . 6 ILE C . 6812 1 65 . 1 1 6 6 ILE CA C 13 58.86 0.20 . 1 . . . . 6 ILE CA . 6812 1 66 . 1 1 6 6 ILE CB C 13 40.02 0.20 . 1 . . . . 6 ILE CB . 6812 1 67 . 1 1 6 6 ILE CG1 C 13 25.59 0.20 . 1 . . . . 6 ILE CG1 . 6812 1 68 . 1 1 6 6 ILE CG2 C 13 17.46 0.20 . 1 . . . . 6 ILE CG2 . 6812 1 69 . 1 1 6 6 ILE CD1 C 13 12.95 0.20 . 1 . . . . 6 ILE CD1 . 6812 1 70 . 1 1 6 6 ILE N N 15 125.50 0.20 . 1 . . . . 6 ILE N . 6812 1 71 . 1 1 7 7 VAL H H 1 7.41 0.02 . 1 . . . . 7 VAL H . 6812 1 72 . 1 1 7 7 VAL HA H 1 4.45 0.02 . 1 . . . . 7 VAL HA . 6812 1 73 . 1 1 7 7 VAL HB H 1 1.94 0.02 . 1 . . . . 7 VAL HB . 6812 1 74 . 1 1 7 7 VAL HG11 H 1 0.85 0.02 . 2 . . . . 7 VAL HG1 . 6812 1 75 . 1 1 7 7 VAL HG12 H 1 0.85 0.02 . 2 . . . . 7 VAL HG1 . 6812 1 76 . 1 1 7 7 VAL HG13 H 1 0.85 0.02 . 2 . . . . 7 VAL HG1 . 6812 1 77 . 1 1 7 7 VAL HG21 H 1 0.77 0.02 . 2 . . . . 7 VAL HG2 . 6812 1 78 . 1 1 7 7 VAL HG22 H 1 0.77 0.02 . 2 . . . . 7 VAL HG2 . 6812 1 79 . 1 1 7 7 VAL HG23 H 1 0.77 0.02 . 2 . . . . 7 VAL HG2 . 6812 1 80 . 1 1 7 7 VAL C C 13 173.83 0.20 . 1 . . . . 7 VAL C . 6812 1 81 . 1 1 7 7 VAL CA C 13 54.72 0.20 . 1 . . . . 7 VAL CA . 6812 1 82 . 1 1 7 7 VAL CB C 13 31.18 0.20 . 1 . . . . 7 VAL CB . 6812 1 83 . 1 1 7 7 VAL CG1 C 13 18.30 0.20 . 1 . . . . 7 VAL CG1 . 6812 1 84 . 1 1 7 7 VAL CG2 C 13 18.91 0.20 . 1 . . . . 7 VAL CG2 . 6812 1 85 . 1 1 7 7 VAL N N 15 123.05 0.20 . 1 . . . . 7 VAL N . 6812 1 86 . 1 1 8 8 VAL H H 1 8.43 0.02 . 1 . . . . 8 VAL H . 6812 1 87 . 1 1 8 8 VAL HA H 1 4.58 0.02 . 1 . . . . 8 VAL HA . 6812 1 88 . 1 1 8 8 VAL HB H 1 2.04 0.02 . 1 . . . . 8 VAL HB . 6812 1 89 . 1 1 8 8 VAL HG11 H 1 0.88 0.02 . 1 . . . . 8 VAL HG1 . 6812 1 90 . 1 1 8 8 VAL HG12 H 1 0.88 0.02 . 1 . . . . 8 VAL HG1 . 6812 1 91 . 1 1 8 8 VAL HG13 H 1 0.88 0.02 . 1 . . . . 8 VAL HG1 . 6812 1 92 . 1 1 8 8 VAL HG21 H 1 0.88 0.02 . 1 . . . . 8 VAL HG2 . 6812 1 93 . 1 1 8 8 VAL HG22 H 1 0.88 0.02 . 1 . . . . 8 VAL HG2 . 6812 1 94 . 1 1 8 8 VAL HG23 H 1 0.88 0.02 . 1 . . . . 8 VAL HG2 . 6812 1 95 . 1 1 8 8 VAL C C 13 172.30 0.20 . 1 . . . . 8 VAL C . 6812 1 96 . 1 1 8 8 VAL CA C 13 58.81 0.20 . 1 . . . . 8 VAL CA . 6812 1 97 . 1 1 8 8 VAL CB C 13 32.01 0.20 . 1 . . . . 8 VAL CB . 6812 1 98 . 1 1 8 8 VAL N N 15 124.37 0.20 . 1 . . . . 8 VAL N . 6812 1 99 . 1 1 9 9 ASN H H 1 6.94 0.02 . 1 . . . . 9 ASN H . 6812 1 100 . 1 1 9 9 ASN HA H 1 4.92 0.02 . 1 . . . . 9 ASN HA . 6812 1 101 . 1 1 9 9 ASN HB2 H 1 2.75 0.02 . 2 . . . . 9 ASN HB2 . 6812 1 102 . 1 1 9 9 ASN HB3 H 1 2.68 0.02 . 2 . . . . 9 ASN HB3 . 6812 1 103 . 1 1 9 9 ASN C C 13 172.69 0.20 . 1 . . . . 9 ASN C . 6812 1 104 . 1 1 9 9 ASN CA C 13 50.79 0.20 . 1 . . . . 9 ASN CA . 6812 1 105 . 1 1 9 9 ASN CB C 13 38.38 0.20 . 1 . . . . 9 ASN CB . 6812 1 106 . 1 1 9 9 ASN N N 15 119.63 0.20 . 1 . . . . 9 ASN N . 6812 1 107 . 1 1 10 10 GLY H H 1 9.05 0.02 . 1 . . . . 10 GLY H . 6812 1 108 . 1 1 10 10 GLY HA2 H 1 4.10 0.02 . 2 . . . . 10 GLY HA2 . 6812 1 109 . 1 1 10 10 GLY HA3 H 1 4.07 0.02 . 2 . . . . 10 GLY HA3 . 6812 1 110 . 1 1 10 10 GLY C C 13 171.67 0.20 . 1 . . . . 10 GLY C . 6812 1 111 . 1 1 10 10 GLY CA C 13 42.91 0.20 . 1 . . . . 10 GLY CA . 6812 1 112 . 1 1 10 10 GLY N N 15 103.14 0.20 . 1 . . . . 10 GLY N . 6812 1 113 . 1 1 11 11 ARG H H 1 8.62 0.02 . 1 . . . . 11 ARG H . 6812 1 114 . 1 1 11 11 ARG HA H 1 4.44 0.02 . 1 . . . . 11 ARG HA . 6812 1 115 . 1 1 11 11 ARG HB2 H 1 1.78 0.02 . 1 . . . . 11 ARG QB . 6812 1 116 . 1 1 11 11 ARG HB3 H 1 1.78 0.02 . 1 . . . . 11 ARG QB . 6812 1 117 . 1 1 11 11 ARG HG2 H 1 1.65 0.02 . 1 . . . . 11 ARG QG . 6812 1 118 . 1 1 11 11 ARG HG3 H 1 1.65 0.02 . 1 . . . . 11 ARG QG . 6812 1 119 . 1 1 11 11 ARG HD2 H 1 2.96 0.02 . 1 . . . . 11 ARG QD . 6812 1 120 . 1 1 11 11 ARG HD3 H 1 2.96 0.02 . 1 . . . . 11 ARG QD . 6812 1 121 . 1 1 11 11 ARG C C 13 173.41 0.20 . 1 . . . . 11 ARG C . 6812 1 122 . 1 1 11 11 ARG CA C 13 53.46 0.20 . 1 . . . . 11 ARG CA . 6812 1 123 . 1 1 11 11 ARG CB C 13 31.49 0.20 . 1 . . . . 11 ARG CB . 6812 1 124 . 1 1 11 11 ARG CD C 13 41.93 0.20 . 1 . . . . 11 ARG CD . 6812 1 125 . 1 1 11 11 ARG N N 15 116.05 0.20 . 1 . . . . 11 ARG N . 6812 1 126 . 1 1 12 12 GLU H H 1 8.44 0.02 . 1 . . . . 12 GLU H . 6812 1 127 . 1 1 12 12 GLU HA H 1 4.57 0.02 . 1 . . . . 12 GLU HA . 6812 1 128 . 1 1 12 12 GLU HB2 H 1 2.04 0.02 . 2 . . . . 12 GLU HB2 . 6812 1 129 . 1 1 12 12 GLU HB3 H 1 2.07 0.02 . 2 . . . . 12 GLU HB3 . 6812 1 130 . 1 1 12 12 GLU HG2 H 1 2.19 0.02 . 1 . . . . 12 GLU QG . 6812 1 131 . 1 1 12 12 GLU HG3 H 1 2.19 0.02 . 1 . . . . 12 GLU QG . 6812 1 132 . 1 1 12 12 GLU C C 13 174.39 0.20 . 1 . . . . 12 GLU C . 6812 1 133 . 1 1 12 12 GLU CA C 13 53.65 0.20 . 1 . . . . 12 GLU CA . 6812 1 134 . 1 1 12 12 GLU CB C 13 28.60 0.20 . 1 . . . . 12 GLU CB . 6812 1 135 . 1 1 12 12 GLU CG C 13 34.68 0.20 . 1 . . . . 12 GLU CG . 6812 1 136 . 1 1 12 12 GLU N N 15 122.60 0.20 . 1 . . . . 12 GLU N . 6812 1 137 . 1 1 13 13 ALA H H 1 8.87 0.02 . 1 . . . . 13 ALA H . 6812 1 138 . 1 1 13 13 ALA HA H 1 4.31 0.02 . 1 . . . . 13 ALA HA . 6812 1 139 . 1 1 13 13 ALA HB1 H 1 1.42 0.02 . 1 . . . . 13 ALA QB . 6812 1 140 . 1 1 13 13 ALA HB2 H 1 1.42 0.02 . 1 . . . . 13 ALA QB . 6812 1 141 . 1 1 13 13 ALA HB3 H 1 1.42 0.02 . 1 . . . . 13 ALA QB . 6812 1 142 . 1 1 13 13 ALA C C 13 174.44 0.20 . 1 . . . . 13 ALA C . 6812 1 143 . 1 1 13 13 ALA CA C 13 51.46 0.20 . 1 . . . . 13 ALA CA . 6812 1 144 . 1 1 13 13 ALA CB C 13 16.95 0.20 . 1 . . . . 13 ALA CB . 6812 1 145 . 1 1 13 13 ALA N N 15 118.51 0.20 . 1 . . . . 13 ALA N . 6812 1 146 . 1 1 14 14 GLY H H 1 7.96 0.02 . 1 . . . . 14 GLY H . 6812 1 147 . 1 1 14 14 GLY HA2 H 1 4.02 0.02 . 2 . . . . 14 GLY HA2 . 6812 1 148 . 1 1 14 14 GLY HA3 H 1 3.95 0.02 . 2 . . . . 14 GLY HA3 . 6812 1 149 . 1 1 14 14 GLY C C 13 171.22 0.20 . 1 . . . . 14 GLY C . 6812 1 150 . 1 1 14 14 GLY CA C 13 43.11 0.20 . 1 . . . . 14 GLY CA . 6812 1 151 . 1 1 14 14 GLY N N 15 109.34 0.20 . 1 . . . . 14 GLY N . 6812 1 152 . 1 1 15 15 SER H H 1 8.13 0.02 . 1 . . . . 15 SER H . 6812 1 153 . 1 1 15 15 SER HA H 1 4.60 0.02 . 1 . . . . 15 SER HA . 6812 1 154 . 1 1 15 15 SER HB2 H 1 3.79 0.02 . 1 . . . . 15 SER QB . 6812 1 155 . 1 1 15 15 SER HB3 H 1 3.79 0.02 . 1 . . . . 15 SER QB . 6812 1 156 . 1 1 15 15 SER HG H 1 5.31 0.02 . 1 . . . . 15 SER HG . 6812 1 157 . 1 1 15 15 SER C C 13 172.78 0.20 . 1 . . . . 15 SER C . 6812 1 158 . 1 1 15 15 SER CA C 13 54.50 0.20 . 1 . . . . 15 SER CA . 6812 1 159 . 1 1 15 15 SER CB C 13 63.30 0.20 . 1 . . . . 15 SER CB . 6812 1 160 . 1 1 15 15 SER N N 15 116.79 0.20 . 1 . . . . 15 SER N . 6812 1 161 . 1 1 16 16 LYS H H 1 6.73 0.02 . 1 . . . . 16 LYS H . 6812 1 162 . 1 1 16 16 LYS HA H 1 4.59 0.02 . 1 . . . . 16 LYS HA . 6812 1 163 . 1 1 16 16 LYS HB2 H 1 1.73 0.02 . 2 . . . . 16 LYS HB2 . 6812 1 164 . 1 1 16 16 LYS HB3 H 1 1.70 0.02 . 2 . . . . 16 LYS HB3 . 6812 1 165 . 1 1 16 16 LYS HG2 H 1 1.36 0.02 . 1 . . . . 16 LYS QG . 6812 1 166 . 1 1 16 16 LYS HG3 H 1 1.36 0.02 . 1 . . . . 16 LYS QG . 6812 1 167 . 1 1 16 16 LYS HD2 H 1 1.55 0.02 . 1 . . . . 16 LYS QD . 6812 1 168 . 1 1 16 16 LYS HD3 H 1 1.55 0.02 . 1 . . . . 16 LYS QD . 6812 1 169 . 1 1 16 16 LYS HE2 H 1 2.92 0.02 . 1 . . . . 16 LYS QE . 6812 1 170 . 1 1 16 16 LYS HE3 H 1 2.92 0.02 . 1 . . . . 16 LYS QE . 6812 1 171 . 1 1 16 16 LYS C C 13 173.92 0.20 . 1 . . . . 16 LYS C . 6812 1 172 . 1 1 16 16 LYS CA C 13 53.74 0.20 . 1 . . . . 16 LYS CA . 6812 1 173 . 1 1 16 16 LYS CB C 13 31.58 0.20 . 1 . . . . 16 LYS CB . 6812 1 174 . 1 1 16 16 LYS CG C 13 23.20 0.20 . 1 . . . . 16 LYS CG . 6812 1 175 . 1 1 16 16 LYS CD C 13 26.87 0.20 . 1 . . . . 16 LYS CD . 6812 1 176 . 1 1 16 16 LYS CE C 13 38.98 0.20 . 1 . . . . 16 LYS CE . 6812 1 177 . 1 1 16 16 LYS N N 15 115.56 0.20 . 1 . . . . 16 LYS N . 6812 1 178 . 1 1 17 17 SER H H 1 7.78 0.02 . 1 . . . . 17 SER H . 6812 1 179 . 1 1 17 17 SER HA H 1 4.79 0.02 . 1 . . . . 17 SER HA . 6812 1 180 . 1 1 17 17 SER HB2 H 1 3.98 0.02 . 1 . . . . 17 SER QB . 6812 1 181 . 1 1 17 17 SER HB3 H 1 3.98 0.02 . 1 . . . . 17 SER QB . 6812 1 182 . 1 1 17 17 SER HG H 1 5.31 0.02 . 1 . . . . 17 SER HG . 6812 1 183 . 1 1 17 17 SER C C 13 177.90 0.20 . 1 . . . . 17 SER C . 6812 1 184 . 1 1 17 17 SER CA C 13 59.84 0.20 . 1 . . . . 17 SER CA . 6812 1 185 . 1 1 17 17 SER CB C 13 62.77 0.20 . 1 . . . . 17 SER CB . 6812 1 186 . 1 1 17 17 SER N N 15 108.40 0.20 . 1 . . . . 17 SER N . 6812 1 187 . 1 1 18 18 LYS H H 1 7.23 0.02 . 1 . . . . 18 LYS H . 6812 1 188 . 1 1 18 18 LYS HA H 1 4.34 0.02 . 1 . . . . 18 LYS HA . 6812 1 189 . 1 1 18 18 LYS HB2 H 1 1.81 0.02 . 1 . . . . 18 LYS QB . 6812 1 190 . 1 1 18 18 LYS HB3 H 1 1.81 0.02 . 1 . . . . 18 LYS QB . 6812 1 191 . 1 1 18 18 LYS HG2 H 1 1.49 0.02 . 1 . . . . 18 LYS QG . 6812 1 192 . 1 1 18 18 LYS HG3 H 1 1.49 0.02 . 1 . . . . 18 LYS QG . 6812 1 193 . 1 1 18 18 LYS HD2 H 1 1.63 0.02 . 1 . . . . 18 LYS QD . 6812 1 194 . 1 1 18 18 LYS HD3 H 1 1.63 0.02 . 1 . . . . 18 LYS QD . 6812 1 195 . 1 1 18 18 LYS HE2 H 1 2.95 0.02 . 1 . . . . 18 LYS QE . 6812 1 196 . 1 1 18 18 LYS HE3 H 1 2.95 0.02 . 1 . . . . 18 LYS QE . 6812 1 197 . 1 1 18 18 LYS C C 13 174.36 0.20 . 1 . . . . 18 LYS C . 6812 1 198 . 1 1 18 18 LYS CA C 13 57.77 0.20 . 1 . . . . 18 LYS CA . 6812 1 199 . 1 1 18 18 LYS CB C 13 34.78 0.20 . 1 . . . . 18 LYS CB . 6812 1 200 . 1 1 18 18 LYS CG C 13 22.76 0.20 . 1 . . . . 18 LYS CG . 6812 1 201 . 1 1 18 18 LYS CD C 13 26.92 0.20 . 1 . . . . 18 LYS CD . 6812 1 202 . 1 1 18 18 LYS CE C 13 39.37 0.20 . 1 . . . . 18 LYS CE . 6812 1 203 . 1 1 18 18 LYS N N 15 120.00 0.20 . 1 . . . . 18 LYS N . 6812 1 204 . 1 1 19 19 GLY H H 1 8.46 0.02 . 1 . . . . 19 GLY H . 6812 1 205 . 1 1 19 19 GLY HA2 H 1 3.99 0.02 . 2 . . . . 19 GLY HA2 . 6812 1 206 . 1 1 19 19 GLY HA3 H 1 3.96 0.02 . 2 . . . . 19 GLY HA3 . 6812 1 207 . 1 1 19 19 GLY C C 13 170.93 0.20 . 1 . . . . 19 GLY C . 6812 1 208 . 1 1 19 19 GLY CA C 13 43.67 0.20 . 1 . . . . 19 GLY CA . 6812 1 209 . 1 1 19 19 GLY N N 15 104.90 0.20 . 1 . . . . 19 GLY N . 6812 1 210 . 1 1 20 20 CYS H H 1 8.60 0.02 . 1 . . . . 20 CYS H . 6812 1 211 . 1 1 20 20 CYS HA H 1 5.05 0.02 . 1 . . . . 20 CYS HA . 6812 1 212 . 1 1 20 20 CYS HB2 H 1 2.81 0.02 . 1 . . . . 20 CYS QB . 6812 1 213 . 1 1 20 20 CYS HB3 H 1 2.81 0.02 . 1 . . . . 20 CYS QB . 6812 1 214 . 1 1 20 20 CYS C C 13 171.28 0.20 . 1 . . . . 20 CYS C . 6812 1 215 . 1 1 20 20 CYS CA C 13 54.48 0.20 . 1 . . . . 20 CYS CA . 6812 1 216 . 1 1 20 20 CYS CB C 13 44.14 0.20 . 1 . . . . 20 CYS CB . 6812 1 217 . 1 1 20 20 CYS N N 15 117.03 0.20 . 1 . . . . 20 CYS N . 6812 1 218 . 1 1 21 21 ALA H H 1 8.97 0.02 . 1 . . . . 21 ALA H . 6812 1 219 . 1 1 21 21 ALA HA H 1 4.65 0.02 . 1 . . . . 21 ALA HA . 6812 1 220 . 1 1 21 21 ALA HB1 H 1 1.31 0.02 . 1 . . . . 21 ALA QB . 6812 1 221 . 1 1 21 21 ALA HB2 H 1 1.31 0.02 . 1 . . . . 21 ALA QB . 6812 1 222 . 1 1 21 21 ALA HB3 H 1 1.31 0.02 . 1 . . . . 21 ALA QB . 6812 1 223 . 1 1 21 21 ALA C C 13 170.81 0.20 . 1 . . . . 21 ALA C . 6812 1 224 . 1 1 21 21 ALA CA C 13 51.49 0.20 . 1 . . . . 21 ALA CA . 6812 1 225 . 1 1 21 21 ALA CB C 13 22.77 0.20 . 1 . . . . 21 ALA CB . 6812 1 226 . 1 1 21 21 ALA N N 15 123.00 0.20 . 1 . . . . 21 ALA N . 6812 1 227 . 1 1 22 22 LEU H H 1 8.24 0.02 . 1 . . . . 22 LEU H . 6812 1 228 . 1 1 22 22 LEU HA H 1 4.85 0.02 . 1 . . . . 22 LEU HA . 6812 1 229 . 1 1 22 22 LEU HB2 H 1 1.57 0.02 . 1 . . . . 22 LEU QB . 6812 1 230 . 1 1 22 22 LEU HB3 H 1 1.57 0.02 . 1 . . . . 22 LEU QB . 6812 1 231 . 1 1 22 22 LEU HG H 1 1.59 0.02 . 1 . . . . 22 LEU HG . 6812 1 232 . 1 1 22 22 LEU HD11 H 1 0.78 0.02 . 2 . . . . 22 LEU QD1 . 6812 1 233 . 1 1 22 22 LEU HD12 H 1 0.78 0.02 . 2 . . . . 22 LEU QD1 . 6812 1 234 . 1 1 22 22 LEU HD13 H 1 0.78 0.02 . 2 . . . . 22 LEU QD1 . 6812 1 235 . 1 1 22 22 LEU HD21 H 1 0.83 0.02 . 2 . . . . 22 LEU QD2 . 6812 1 236 . 1 1 22 22 LEU HD22 H 1 0.83 0.02 . 2 . . . . 22 LEU QD2 . 6812 1 237 . 1 1 22 22 LEU HD23 H 1 0.83 0.02 . 2 . . . . 22 LEU QD2 . 6812 1 238 . 1 1 22 22 LEU C C 13 173.89 0.20 . 1 . . . . 22 LEU C . 6812 1 239 . 1 1 22 22 LEU CA C 13 54.23 0.20 . 1 . . . . 22 LEU CA . 6812 1 240 . 1 1 22 22 LEU CB C 13 42.77 0.20 . 1 . . . . 22 LEU CB . 6812 1 241 . 1 1 22 22 LEU CG C 13 24.78 0.20 . 1 . . . . 22 LEU CG . 6812 1 242 . 1 1 22 22 LEU CD1 C 13 22.23 0.20 . 1 . . . . 22 LEU CD1 . 6812 1 243 . 1 1 22 22 LEU CD2 C 13 22.63 0.20 . 1 . . . . 22 LEU CD2 . 6812 1 244 . 1 1 22 22 LEU N N 15 119.16 0.20 . 1 . . . . 22 LEU N . 6812 1 245 . 1 1 23 23 CYS H H 1 8.80 0.02 . 1 . . . . 23 CYS H . 6812 1 246 . 1 1 23 23 CYS HA H 1 4.80 0.02 . 1 . . . . 23 CYS HA . 6812 1 247 . 1 1 23 23 CYS HB2 H 1 2.94 0.02 . 1 . . . . 23 CYS QB . 6812 1 248 . 1 1 23 23 CYS HB3 H 1 2.94 0.02 . 1 . . . . 23 CYS QB . 6812 1 249 . 1 1 23 23 CYS HG H 1 1.56 0.02 . 1 . . . . 23 CYS HG . 6812 1 250 . 1 1 23 23 CYS C C 13 177.76 0.20 . 1 . . . . 23 CYS C . 6812 1 251 . 1 1 23 23 CYS CA C 13 55.33 0.20 . 1 . . . . 23 CYS CA . 6812 1 252 . 1 1 23 23 CYS CB C 13 32.28 0.20 . 1 . . . . 23 CYS CB . 6812 1 253 . 1 1 23 23 CYS N N 15 123.40 0.20 . 1 . . . . 23 CYS N . 6812 1 254 . 1 1 24 24 GLY H H 1 8.85 0.02 . 1 . . . . 24 GLY H . 6812 1 255 . 1 1 24 24 GLY HA2 H 1 4.02 0.02 . 2 . . . . 24 GLY HA2 . 6812 1 256 . 1 1 24 24 GLY HA3 H 1 3.96 0.02 . 2 . . . . 24 GLY HA3 . 6812 1 257 . 1 1 24 24 GLY C C 13 171.62 0.20 . 1 . . . . 24 GLY C . 6812 1 258 . 1 1 24 24 GLY CA C 13 42.69 0.20 . 1 . . . . 24 GLY CA . 6812 1 259 . 1 1 24 24 GLY N N 15 126.09 0.20 . 1 . . . . 24 GLY N . 6812 1 260 . 1 1 25 25 ALA H H 1 7.87 0.02 . 1 . . . . 25 ALA H . 6812 1 261 . 1 1 25 25 ALA HA H 1 4.46 0.02 . 1 . . . . 25 ALA HA . 6812 1 262 . 1 1 25 25 ALA HB1 H 1 1.15 0.02 . 1 . . . . 25 ALA QB . 6812 1 263 . 1 1 25 25 ALA HB2 H 1 1.15 0.02 . 1 . . . . 25 ALA QB . 6812 1 264 . 1 1 25 25 ALA HB3 H 1 1.15 0.02 . 1 . . . . 25 ALA QB . 6812 1 265 . 1 1 25 25 ALA C C 13 173.80 0.20 . 1 . . . . 25 ALA C . 6812 1 266 . 1 1 25 25 ALA CA C 13 49.92 0.20 . 1 . . . . 25 ALA CA . 6812 1 267 . 1 1 25 25 ALA CB C 13 18.80 0.20 . 1 . . . . 25 ALA CB . 6812 1 268 . 1 1 25 25 ALA N N 15 120.48 0.20 . 1 . . . . 25 ALA N . 6812 1 269 . 1 1 26 26 THR H H 1 8.49 0.02 . 1 . . . . 26 THR H . 6812 1 270 . 1 1 26 26 THR HA H 1 4.24 0.02 . 1 . . . . 26 THR HA . 6812 1 271 . 1 1 26 26 THR HB H 1 4.08 0.02 . 1 . . . . 26 THR HB . 6812 1 272 . 1 1 26 26 THR HG1 H 1 5.23 0.02 . 1 . . . . 26 THR HG1 . 6812 1 273 . 1 1 26 26 THR HG21 H 1 1.18 0.02 . 1 . . . . 26 THR QG2 . 6812 1 274 . 1 1 26 26 THR HG22 H 1 1.18 0.02 . 1 . . . . 26 THR QG2 . 6812 1 275 . 1 1 26 26 THR HG23 H 1 1.18 0.02 . 1 . . . . 26 THR QG2 . 6812 1 276 . 1 1 26 26 THR C C 13 173.56 0.20 . 1 . . . . 26 THR C . 6812 1 277 . 1 1 26 26 THR CA C 13 60.86 0.20 . 1 . . . . 26 THR CA . 6812 1 278 . 1 1 26 26 THR CB C 13 66.63 0.20 . 1 . . . . 26 THR CB . 6812 1 279 . 1 1 26 26 THR CG2 C 13 19.87 0.20 . 1 . . . . 26 THR CG2 . 6812 1 280 . 1 1 26 26 THR N N 15 115.66 0.20 . 1 . . . . 26 THR N . 6812 1 281 . 1 1 27 27 TRP H H 1 8.79 0.02 . 1 . . . . 27 TRP H . 6812 1 282 . 1 1 27 27 TRP HA H 1 4.24 0.02 . 1 . . . . 27 TRP HA . 6812 1 283 . 1 1 27 27 TRP HB2 H 1 3.17 0.02 . 2 . . . . 27 TRP HB2 . 6812 1 284 . 1 1 27 27 TRP HB3 H 1 3.09 0.02 . 2 . . . . 27 TRP HB3 . 6812 1 285 . 1 1 27 27 TRP C C 13 174.62 0.20 . 1 . . . . 27 TRP C . 6812 1 286 . 1 1 27 27 TRP CA C 13 58.21 0.20 . 1 . . . . 27 TRP CA . 6812 1 287 . 1 1 27 27 TRP CB C 13 27.42 0.20 . 1 . . . . 27 TRP CB . 6812 1 288 . 1 1 27 27 TRP N N 15 124.68 0.20 . 1 . . . . 27 TRP N . 6812 1 289 . 1 1 28 28 GLY H H 1 8.31 0.02 . 1 . . . . 28 GLY H . 6812 1 290 . 1 1 28 28 GLY HA2 H 1 3.78 0.02 . 2 . . . . 28 GLY HA2 . 6812 1 291 . 1 1 28 28 GLY HA3 H 1 3.74 0.02 . 2 . . . . 28 GLY HA3 . 6812 1 292 . 1 1 28 28 GLY C C 13 174.05 0.20 . 1 . . . . 28 GLY C . 6812 1 293 . 1 1 28 28 GLY CA C 13 43.16 0.20 . 1 . . . . 28 GLY CA . 6812 1 294 . 1 1 28 28 GLY N N 15 105.42 0.20 . 1 . . . . 28 GLY N . 6812 1 295 . 1 1 29 29 ASP H H 1 7.77 0.02 . 1 . . . . 29 ASP H . 6812 1 296 . 1 1 29 29 ASP HA H 1 4.59 0.02 . 1 . . . . 29 ASP HA . 6812 1 297 . 1 1 29 29 ASP HB2 H 1 2.72 0.02 . 2 . . . . 29 ASP HB2 . 6812 1 298 . 1 1 29 29 ASP HB3 H 1 2.69 0.02 . 2 . . . . 29 ASP HB3 . 6812 1 299 . 1 1 29 29 ASP C C 13 174.11 0.20 . 1 . . . . 29 ASP C . 6812 1 300 . 1 1 29 29 ASP CA C 13 61.63 0.20 . 1 . . . . 29 ASP CA . 6812 1 301 . 1 1 29 29 ASP CB C 13 41.20 0.20 . 1 . . . . 29 ASP CB . 6812 1 302 . 1 1 29 29 ASP N N 15 114.48 0.20 . 1 . . . . 29 ASP N . 6812 1 303 . 1 1 30 30 TYR H H 1 9.03 0.02 . 1 . . . . 30 TYR H . 6812 1 304 . 1 1 30 30 TYR HA H 1 4.91 0.02 . 1 . . . . 30 TYR HA . 6812 1 305 . 1 1 30 30 TYR HB2 H 1 2.84 0.02 . 1 . . . . 30 TYR QB . 6812 1 306 . 1 1 30 30 TYR HB3 H 1 2.84 0.02 . 1 . . . . 30 TYR QB . 6812 1 307 . 1 1 30 30 TYR CA C 13 52.95 0.20 . 1 . . . . 30 TYR CA . 6812 1 308 . 1 1 30 30 TYR CB C 13 44.35 0.20 . 1 . . . . 30 TYR CB . 6812 1 309 . 1 1 30 30 TYR N N 15 127.82 0.20 . 1 . . . . 30 TYR N . 6812 1 310 . 1 1 31 31 HIS H H 1 9.70 0.02 . 1 . . . . 31 HIS H . 6812 1 311 . 1 1 31 31 HIS HA H 1 4.79 0.02 . 1 . . . . 31 HIS HA . 6812 1 312 . 1 1 31 31 HIS HB2 H 1 2.89 0.02 . 2 . . . . 31 HIS HB2 . 6812 1 313 . 1 1 31 31 HIS HB3 H 1 2.86 0.02 . 2 . . . . 31 HIS HB3 . 6812 1 314 . 1 1 31 31 HIS C C 13 172.31 0.20 . 1 . . . . 31 HIS C . 6812 1 315 . 1 1 31 31 HIS CA C 13 53.44 0.20 . 1 . . . . 31 HIS CA . 6812 1 316 . 1 1 31 31 HIS CB C 13 28.42 0.20 . 1 . . . . 31 HIS CB . 6812 1 317 . 1 1 31 31 HIS N N 15 111.15 0.20 . 1 . . . . 31 HIS N . 6812 1 318 . 1 1 32 32 ALA H H 1 8.60 0.02 . 1 . . . . 32 ALA H . 6812 1 319 . 1 1 32 32 ALA HA H 1 4.59 0.02 . 1 . . . . 32 ALA HA . 6812 1 320 . 1 1 32 32 ALA HB1 H 1 1.36 0.02 . 1 . . . . 32 ALA QB . 6812 1 321 . 1 1 32 32 ALA HB2 H 1 1.36 0.02 . 1 . . . . 32 ALA QB . 6812 1 322 . 1 1 32 32 ALA HB3 H 1 1.36 0.02 . 1 . . . . 32 ALA QB . 6812 1 323 . 1 1 32 32 ALA C C 13 173.51 0.20 . 1 . . . . 32 ALA C . 6812 1 324 . 1 1 32 32 ALA CA C 13 55.21 0.20 . 1 . . . . 32 ALA CA . 6812 1 325 . 1 1 32 32 ALA CB C 13 18.20 0.20 . 1 . . . . 32 ALA CB . 6812 1 326 . 1 1 32 32 ALA N N 15 124.21 0.20 . 1 . . . . 32 ALA N . 6812 1 327 . 1 1 33 33 ASP H H 1 8.40 0.02 . 1 . . . . 33 ASP H . 6812 1 328 . 1 1 33 33 ASP HA H 1 5.00 0.02 . 1 . . . . 33 ASP HA . 6812 1 329 . 1 1 33 33 ASP HB2 H 1 2.46 0.02 . 1 . . . . 33 ASP QB . 6812 1 330 . 1 1 33 33 ASP HB3 H 1 2.46 0.02 . 1 . . . . 33 ASP QB . 6812 1 331 . 1 1 33 33 ASP C C 13 172.82 0.20 . 1 . . . . 33 ASP C . 6812 1 332 . 1 1 33 33 ASP CA C 13 55.57 0.20 . 1 . . . . 33 ASP CA . 6812 1 333 . 1 1 33 33 ASP CB C 13 41.55 0.20 . 1 . . . . 33 ASP CB . 6812 1 334 . 1 1 33 33 ASP N N 15 124.05 0.20 . 1 . . . . 33 ASP N . 6812 1 335 . 1 1 34 34 PHE H H 1 8.00 0.02 . 1 . . . . 34 PHE H . 6812 1 336 . 1 1 34 34 PHE HA H 1 5.26 0.02 . 1 . . . . 34 PHE HA . 6812 1 337 . 1 1 34 34 PHE HB2 H 1 2.99 0.02 . 2 . . . . 34 PHE HB2 . 6812 1 338 . 1 1 34 34 PHE HB3 H 1 2.92 0.02 . 2 . . . . 34 PHE HB3 . 6812 1 339 . 1 1 34 34 PHE CA C 13 57.77 0.20 . 1 . . . . 34 PHE CA . 6812 1 340 . 1 1 34 34 PHE CB C 13 38.44 0.20 . 1 . . . . 34 PHE CB . 6812 1 341 . 1 1 34 34 PHE N N 15 119.45 0.20 . 1 . . . . 34 PHE N . 6812 1 342 . 1 1 35 35 LEU H H 1 8.00 0.02 . 1 . . . . 35 LEU H . 6812 1 343 . 1 1 35 35 LEU HA H 1 4.88 0.02 . 1 . . . . 35 LEU HA . 6812 1 344 . 1 1 35 35 LEU HB2 H 1 1.59 0.02 . 1 . . . . 35 LEU QB . 6812 1 345 . 1 1 35 35 LEU HB3 H 1 1.59 0.02 . 1 . . . . 35 LEU QB . 6812 1 346 . 1 1 35 35 LEU HG H 1 1.51 0.02 . 1 . . . . 35 LEU HG . 6812 1 347 . 1 1 35 35 LEU HD11 H 1 0.83 0.02 . 2 . . . . 35 LEU QD1 . 6812 1 348 . 1 1 35 35 LEU HD12 H 1 0.83 0.02 . 2 . . . . 35 LEU QD1 . 6812 1 349 . 1 1 35 35 LEU HD13 H 1 0.83 0.02 . 2 . . . . 35 LEU QD1 . 6812 1 350 . 1 1 35 35 LEU C C 13 170.36 0.20 . 1 . . . . 35 LEU C . 6812 1 351 . 1 1 35 35 LEU CA C 13 54.78 0.20 . 1 . . . . 35 LEU CA . 6812 1 352 . 1 1 35 35 LEU CB C 13 42.95 0.20 . 1 . . . . 35 LEU CB . 6812 1 353 . 1 1 35 35 LEU CG C 13 25.25 0.20 . 1 . . . . 35 LEU CG . 6812 1 354 . 1 1 35 35 LEU CD1 C 13 22.73 0.20 . 1 . . . . 35 LEU CD1 . 6812 1 355 . 1 1 35 35 LEU N N 15 121.38 0.20 . 1 . . . . 35 LEU N . 6812 1 356 . 1 1 36 36 GLY H H 1 8.48 0.02 . 1 . . . . 36 GLY H . 6812 1 357 . 1 1 36 36 GLY HA2 H 1 4.02 0.02 . 1 . . . . 36 GLY QA . 6812 1 358 . 1 1 36 36 GLY HA3 H 1 4.02 0.02 . 1 . . . . 36 GLY QA . 6812 1 359 . 1 1 36 36 GLY C C 13 172.26 0.20 . 1 . . . . 36 GLY C . 6812 1 360 . 1 1 36 36 GLY CA C 13 43.82 0.20 . 1 . . . . 36 GLY CA . 6812 1 361 . 1 1 36 36 GLY N N 15 122.44 0.20 . 1 . . . . 36 GLY N . 6812 1 362 . 1 1 37 37 GLU H H 1 8.05 0.02 . 1 . . . . 37 GLU H . 6812 1 363 . 1 1 37 37 GLU HA H 1 4.35 0.02 . 1 . . . . 37 GLU HA . 6812 1 364 . 1 1 37 37 GLU HB2 H 1 1.84 0.02 . 1 . . . . 37 GLU QB . 6812 1 365 . 1 1 37 37 GLU HB3 H 1 1.84 0.02 . 1 . . . . 37 GLU QB . 6812 1 366 . 1 1 37 37 GLU HG2 H 1 2.12 0.02 . 1 . . . . 37 GLU QG . 6812 1 367 . 1 1 37 37 GLU HG3 H 1 2.12 0.02 . 1 . . . . 37 GLU QG . 6812 1 368 . 1 1 37 37 GLU C C 13 173.12 0.20 . 1 . . . . 37 GLU C . 6812 1 369 . 1 1 37 37 GLU CA C 13 53.92 0.20 . 1 . . . . 37 GLU CA . 6812 1 370 . 1 1 37 37 GLU CB C 13 29.45 0.20 . 1 . . . . 37 GLU CB . 6812 1 371 . 1 1 37 37 GLU CG C 13 34.02 0.20 . 1 . . . . 37 GLU CG . 6812 1 372 . 1 1 37 37 GLU N N 15 116.23 0.20 . 1 . . . . 37 GLU N . 6812 1 373 . 1 1 38 38 ASP H H 1 8.51 0.02 . 1 . . . . 38 ASP H . 6812 1 374 . 1 1 38 38 ASP HA H 1 4.57 0.02 . 1 . . . . 38 ASP HA . 6812 1 375 . 1 1 38 38 ASP HB2 H 1 2.64 0.02 . 2 . . . . 38 ASP HB2 . 6812 1 376 . 1 1 38 38 ASP HB3 H 1 2.58 0.02 . 2 . . . . 38 ASP HB3 . 6812 1 377 . 1 1 38 38 ASP C C 13 173.38 0.20 . 1 . . . . 38 ASP C . 6812 1 378 . 1 1 38 38 ASP CA C 13 52.70 0.20 . 1 . . . . 38 ASP CA . 6812 1 379 . 1 1 38 38 ASP CB C 13 41.65 0.20 . 1 . . . . 38 ASP CB . 6812 1 380 . 1 1 38 38 ASP N N 15 118.75 0.20 . 1 . . . . 38 ASP N . 6812 1 381 . 1 1 39 39 LEU H H 1 8.12 0.02 . 1 . . . . 39 LEU H . 6812 1 382 . 1 1 39 39 LEU HA H 1 4.42 0.02 . 1 . . . . 39 LEU HA . 6812 1 383 . 1 1 39 39 LEU HB2 H 1 1.64 0.02 . 1 . . . . 39 LEU QB . 6812 1 384 . 1 1 39 39 LEU HB3 H 1 1.64 0.02 . 1 . . . . 39 LEU QB . 6812 1 385 . 1 1 39 39 LEU HG H 1 1.43 0.02 . 1 . . . . 39 LEU HG . 6812 1 386 . 1 1 39 39 LEU HD11 H 1 0.88 0.02 . 2 . . . . 39 LEU QD1 . 6812 1 387 . 1 1 39 39 LEU HD12 H 1 0.88 0.02 . 2 . . . . 39 LEU QD1 . 6812 1 388 . 1 1 39 39 LEU HD13 H 1 0.88 0.02 . 2 . . . . 39 LEU QD1 . 6812 1 389 . 1 1 39 39 LEU HD21 H 1 0.81 0.02 . 2 . . . . 39 LEU QD2 . 6812 1 390 . 1 1 39 39 LEU HD22 H 1 0.81 0.02 . 2 . . . . 39 LEU QD2 . 6812 1 391 . 1 1 39 39 LEU HD23 H 1 0.81 0.02 . 2 . . . . 39 LEU QD2 . 6812 1 392 . 1 1 39 39 LEU C C 13 174.32 0.20 . 1 . . . . 39 LEU C . 6812 1 393 . 1 1 39 39 LEU CA C 13 52.64 0.20 . 1 . . . . 39 LEU CA . 6812 1 394 . 1 1 39 39 LEU CB C 13 41.61 0.20 . 1 . . . . 39 LEU CB . 6812 1 395 . 1 1 39 39 LEU CG C 13 25.50 0.20 . 1 . . . . 39 LEU CG . 6812 1 396 . 1 1 39 39 LEU CD1 C 13 21.57 0.20 . 1 . . . . 39 LEU CD1 . 6812 1 397 . 1 1 39 39 LEU CD2 C 13 20.58 0.20 . 1 . . . . 39 LEU CD2 . 6812 1 398 . 1 1 39 39 LEU N N 15 117.93 0.20 . 1 . . . . 39 LEU N . 6812 1 399 . 1 1 40 40 PHE H H 1 9.19 0.02 . 1 . . . . 40 PHE H . 6812 1 400 . 1 1 40 40 PHE HA H 1 4.86 0.02 . 1 . . . . 40 PHE HA . 6812 1 401 . 1 1 40 40 PHE HB2 H 1 2.96 0.02 . 1 . . . . 40 PHE QB . 6812 1 402 . 1 1 40 40 PHE HB3 H 1 2.96 0.02 . 1 . . . . 40 PHE QB . 6812 1 403 . 1 1 40 40 PHE C C 13 174.87 0.20 . 1 . . . . 40 PHE C . 6812 1 404 . 1 1 40 40 PHE CA C 13 60.27 0.20 . 1 . . . . 40 PHE CA . 6812 1 405 . 1 1 40 40 PHE CB C 13 33.68 0.20 . 1 . . . . 40 PHE CB . 6812 1 406 . 1 1 40 40 PHE N N 15 126.31 0.20 . 1 . . . . 40 PHE N . 6812 1 407 . 1 1 41 41 PHE H H 1 8.85 0.02 . 1 . . . . 41 PHE H . 6812 1 408 . 1 1 41 41 PHE HA H 1 4.63 0.02 . 1 . . . . 41 PHE HA . 6812 1 409 . 1 1 41 41 PHE HB2 H 1 3.04 0.02 . 1 . . . . 41 PHE QB . 6812 1 410 . 1 1 41 41 PHE HB3 H 1 3.04 0.02 . 1 . . . . 41 PHE QB . 6812 1 411 . 1 1 41 41 PHE C C 13 175.80 0.20 . 1 . . . . 41 PHE C . 6812 1 412 . 1 1 41 41 PHE CA C 13 53.56 0.20 . 1 . . . . 41 PHE CA . 6812 1 413 . 1 1 41 41 PHE CB C 13 44.60 0.20 . 1 . . . . 41 PHE CB . 6812 1 414 . 1 1 41 41 PHE N N 15 127.93 0.20 . 1 . . . . 41 PHE N . 6812 1 415 . 1 1 42 42 CYS H H 1 6.73 0.02 . 1 . . . . 42 CYS H . 6812 1 416 . 1 1 42 42 CYS HA H 1 4.82 0.02 . 1 . . . . 42 CYS HA . 6812 1 417 . 1 1 42 42 CYS HB2 H 1 2.81 0.02 . 1 . . . . 42 CYS QB . 6812 1 418 . 1 1 42 42 CYS HB3 H 1 2.81 0.02 . 1 . . . . 42 CYS QB . 6812 1 419 . 1 1 42 42 CYS C C 13 172.82 0.20 . 1 . . . . 42 CYS C . 6812 1 420 . 1 1 42 42 CYS CA C 13 56.61 0.20 . 1 . . . . 42 CYS CA . 6812 1 421 . 1 1 42 42 CYS CB C 13 36.01 0.20 . 1 . . . . 42 CYS CB . 6812 1 422 . 1 1 42 42 CYS N N 15 119.53 0.20 . 1 . . . . 42 CYS N . 6812 1 423 . 1 1 43 43 CYS H H 1 7.94 0.02 . 1 . . . . 43 CYS H . 6812 1 424 . 1 1 43 43 CYS HA H 1 4.98 0.02 . 1 . . . . 43 CYS HA . 6812 1 425 . 1 1 43 43 CYS HB2 H 1 2.71 0.02 . 1 . . . . 43 CYS QB . 6812 1 426 . 1 1 43 43 CYS HB3 H 1 2.71 0.02 . 1 . . . . 43 CYS QB . 6812 1 427 . 1 1 43 43 CYS C C 13 171.54 0.20 . 1 . . . . 43 CYS C . 6812 1 428 . 1 1 43 43 CYS CA C 13 54.90 0.20 . 1 . . . . 43 CYS CA . 6812 1 429 . 1 1 43 43 CYS CB C 13 34.36 0.20 . 1 . . . . 43 CYS CB . 6812 1 430 . 1 1 43 43 CYS N N 15 121.23 0.20 . 1 . . . . 43 CYS N . 6812 1 431 . 1 1 44 44 ASP H H 1 8.74 0.02 . 1 . . . . 44 ASP H . 6812 1 432 . 1 1 44 44 ASP HA H 1 5.04 0.02 . 1 . . . . 44 ASP HA . 6812 1 433 . 1 1 44 44 ASP HB2 H 1 2.59 0.02 . 1 . . . . 44 ASP QB . 6812 1 434 . 1 1 44 44 ASP HB3 H 1 2.59 0.02 . 1 . . . . 44 ASP QB . 6812 1 435 . 1 1 44 44 ASP C C 13 177.81 0.20 . 1 . . . . 44 ASP C . 6812 1 436 . 1 1 44 44 ASP CA C 13 55.08 0.20 . 1 . . . . 44 ASP CA . 6812 1 437 . 1 1 44 44 ASP CB C 13 45.63 0.20 . 1 . . . . 44 ASP CB . 6812 1 438 . 1 1 44 44 ASP N N 15 101.90 0.20 . 1 . . . . 44 ASP N . 6812 1 439 . 1 1 45 45 ILE H H 1 8.18 0.02 . 1 . . . . 45 ILE H . 6812 1 440 . 1 1 45 45 ILE HA H 1 4.34 0.02 . 1 . . . . 45 ILE HA . 6812 1 441 . 1 1 45 45 ILE HB H 1 1.88 0.02 . 1 . . . . 45 ILE HB . 6812 1 442 . 1 1 45 45 ILE HG12 H 1 1.29 0.02 . 1 . . . . 45 ILE QG1 . 6812 1 443 . 1 1 45 45 ILE HG13 H 1 1.29 0.02 . 1 . . . . 45 ILE QG1 . 6812 1 444 . 1 1 45 45 ILE HG21 H 1 0.80 0.02 . 1 . . . . 45 ILE QG2 . 6812 1 445 . 1 1 45 45 ILE HG22 H 1 0.80 0.02 . 1 . . . . 45 ILE QG2 . 6812 1 446 . 1 1 45 45 ILE HG23 H 1 0.80 0.02 . 1 . . . . 45 ILE QG2 . 6812 1 447 . 1 1 45 45 ILE HD11 H 1 0.83 0.02 . 1 . . . . 45 ILE QD1 . 6812 1 448 . 1 1 45 45 ILE HD12 H 1 0.83 0.02 . 1 . . . . 45 ILE QD1 . 6812 1 449 . 1 1 45 45 ILE HD13 H 1 0.83 0.02 . 1 . . . . 45 ILE QD1 . 6812 1 450 . 1 1 45 45 ILE C C 13 173.89 0.20 . 1 . . . . 45 ILE C . 6812 1 451 . 1 1 45 45 ILE CA C 13 61.58 0.20 . 1 . . . . 45 ILE CA . 6812 1 452 . 1 1 45 45 ILE CB C 13 33.19 0.20 . 1 . . . . 45 ILE CB . 6812 1 453 . 1 1 45 45 ILE CG1 C 13 25.54 0.20 . 1 . . . . 45 ILE CG1 . 6812 1 454 . 1 1 45 45 ILE CG2 C 13 17.32 0.20 . 1 . . . . 45 ILE CG2 . 6812 1 455 . 1 1 45 45 ILE CD1 C 13 11.87 0.20 . 1 . . . . 45 ILE CD1 . 6812 1 456 . 1 1 45 45 ILE N N 15 114.90 0.20 . 1 . . . . 45 ILE N . 6812 1 457 . 1 1 46 46 CYS H H 1 9.10 0.02 . 1 . . . . 46 CYS H . 6812 1 458 . 1 1 46 46 CYS HA H 1 4.37 0.02 . 1 . . . . 46 CYS HA . 6812 1 459 . 1 1 46 46 CYS C C 13 170.10 0.20 . 1 . . . . 46 CYS C . 6812 1 460 . 1 1 46 46 CYS CA C 13 61.00 0.20 . 1 . . . . 46 CYS CA . 6812 1 461 . 1 1 46 46 CYS CB C 13 43.10 0.20 . 1 . . . . 46 CYS CB . 6812 1 462 . 1 1 46 46 CYS N N 15 129.52 0.20 . 1 . . . . 46 CYS N . 6812 1 463 . 1 1 47 47 ALA H H 1 9.52 0.02 . 1 . . . . 47 ALA H . 6812 1 464 . 1 1 47 47 ALA HA H 1 4.49 0.02 . 1 . . . . 47 ALA HA . 6812 1 465 . 1 1 47 47 ALA HB1 H 1 1.30 0.02 . 1 . . . . 47 ALA QB . 6812 1 466 . 1 1 47 47 ALA HB2 H 1 1.30 0.02 . 1 . . . . 47 ALA QB . 6812 1 467 . 1 1 47 47 ALA HB3 H 1 1.30 0.02 . 1 . . . . 47 ALA QB . 6812 1 468 . 1 1 47 47 ALA C C 13 175.30 0.20 . 1 . . . . 47 ALA C . 6812 1 469 . 1 1 47 47 ALA CA C 13 55.02 0.20 . 1 . . . . 47 ALA CA . 6812 1 470 . 1 1 47 47 ALA CB C 13 16.72 0.20 . 1 . . . . 47 ALA CB . 6812 1 471 . 1 1 47 47 ALA N N 15 131.15 0.20 . 1 . . . . 47 ALA N . 6812 1 472 . 1 1 48 48 ALA H H 1 8.23 0.02 . 1 . . . . 48 ALA H . 6812 1 473 . 1 1 48 48 ALA HA H 1 4.28 0.02 . 1 . . . . 48 ALA HA . 6812 1 474 . 1 1 48 48 ALA HB1 H 1 1.37 0.02 . 1 . . . . 48 ALA QB . 6812 1 475 . 1 1 48 48 ALA HB2 H 1 1.37 0.02 . 1 . . . . 48 ALA QB . 6812 1 476 . 1 1 48 48 ALA HB3 H 1 1.37 0.02 . 1 . . . . 48 ALA QB . 6812 1 477 . 1 1 48 48 ALA C C 13 174.99 0.20 . 1 . . . . 48 ALA C . 6812 1 478 . 1 1 48 48 ALA CA C 13 51.25 0.20 . 1 . . . . 48 ALA CA . 6812 1 479 . 1 1 48 48 ALA CB C 13 17.16 0.20 . 1 . . . . 48 ALA CB . 6812 1 480 . 1 1 48 48 ALA N N 15 122.50 0.20 . 1 . . . . 48 ALA N . 6812 1 481 . 1 1 49 49 GLU H H 1 8.21 0.02 . 1 . . . . 49 GLU H . 6812 1 482 . 1 1 49 49 GLU HA H 1 4.09 0.02 . 1 . . . . 49 GLU HA . 6812 1 483 . 1 1 49 49 GLU HB2 H 1 2.03 0.02 . 1 . . . . 49 GLU QB . 6812 1 484 . 1 1 49 49 GLU HB3 H 1 2.03 0.02 . 1 . . . . 49 GLU QB . 6812 1 485 . 1 1 49 49 GLU HG2 H 1 2.29 0.02 . 1 . . . . 49 GLU QG . 6812 1 486 . 1 1 49 49 GLU HG3 H 1 2.29 0.02 . 1 . . . . 49 GLU QG . 6812 1 487 . 1 1 49 49 GLU C C 13 174.50 0.20 . 1 . . . . 49 GLU C . 6812 1 488 . 1 1 49 49 GLU CA C 13 55.33 0.20 . 1 . . . . 49 GLU CA . 6812 1 489 . 1 1 49 49 GLU CB C 13 26.76 0.20 . 1 . . . . 49 GLU CB . 6812 1 490 . 1 1 49 49 GLU CG C 13 33.27 0.20 . 1 . . . . 49 GLU CG . 6812 1 491 . 1 1 49 49 GLU N N 15 122.11 0.20 . 1 . . . . 49 GLU N . 6812 1 492 . 1 1 50 50 PHE H H 1 8.92 0.02 . 1 . . . . 50 PHE H . 6812 1 493 . 1 1 50 50 PHE HA H 1 4.37 0.02 . 1 . . . . 50 PHE HA . 6812 1 494 . 1 1 50 50 PHE HB2 H 1 2.93 0.02 . 1 . . . . 50 PHE QB . 6812 1 495 . 1 1 50 50 PHE HB3 H 1 2.93 0.02 . 1 . . . . 50 PHE QB . 6812 1 496 . 1 1 50 50 PHE C C 13 176.70 0.20 . 1 . . . . 50 PHE C . 6812 1 497 . 1 1 50 50 PHE CA C 13 54.05 0.20 . 1 . . . . 50 PHE CA . 6812 1 498 . 1 1 50 50 PHE CB C 13 45.94 0.20 . 1 . . . . 50 PHE CB . 6812 1 499 . 1 1 50 50 PHE N N 15 126.30 0.20 . 1 . . . . 50 PHE N . 6812 1 500 . 1 1 51 51 MET H H 1 8.99 0.02 . 1 . . . . 51 MET H . 6812 1 501 . 1 1 51 51 MET HA H 1 4.35 0.02 . 1 . . . . 51 MET HA . 6812 1 502 . 1 1 51 51 MET HB2 H 1 2.19 0.02 . 1 . . . . 51 MET QB . 6812 1 503 . 1 1 51 51 MET HB3 H 1 2.19 0.02 . 1 . . . . 51 MET QB . 6812 1 504 . 1 1 51 51 MET HG2 H 1 2.33 0.02 . 1 . . . . 51 MET QG . 6812 1 505 . 1 1 51 51 MET HG3 H 1 2.33 0.02 . 1 . . . . 51 MET QG . 6812 1 506 . 1 1 51 51 MET HE1 H 1 2.02 0.02 . 1 . . . . 51 MET QE . 6812 1 507 . 1 1 51 51 MET HE2 H 1 2.02 0.02 . 1 . . . . 51 MET QE . 6812 1 508 . 1 1 51 51 MET HE3 H 1 2.02 0.02 . 1 . . . . 51 MET QE . 6812 1 509 . 1 1 51 51 MET C C 13 173.21 0.20 . 1 . . . . 51 MET C . 6812 1 510 . 1 1 51 51 MET CA C 13 54.35 0.20 . 1 . . . . 51 MET CA . 6812 1 511 . 1 1 51 51 MET CB C 13 32.95 0.20 . 1 . . . . 51 MET CB . 6812 1 512 . 1 1 51 51 MET CG C 13 30.00 0.20 . 1 . . . . 51 MET CG . 6812 1 513 . 1 1 51 51 MET CE C 13 15.14 0.20 . 1 . . . . 51 MET CE . 6812 1 514 . 1 1 51 51 MET N N 15 126.90 0.20 . 1 . . . . 51 MET N . 6812 1 515 . 1 1 52 52 ASN H H 1 8.75 0.02 . 1 . . . . 52 ASN H . 6812 1 516 . 1 1 52 52 ASN HA H 1 5.00 0.02 . 1 . . . . 52 ASN HA . 6812 1 517 . 1 1 52 52 ASN HB2 H 1 2.63 0.02 . 2 . . . . 52 ASN HB2 . 6812 1 518 . 1 1 52 52 ASN HB3 H 1 2.61 0.02 . 2 . . . . 52 ASN HB3 . 6812 1 519 . 1 1 52 52 ASN C C 13 170.19 0.20 . 1 . . . . 52 ASN C . 6812 1 520 . 1 1 52 52 ASN CA C 13 55.51 0.20 . 1 . . . . 52 ASN CA . 6812 1 521 . 1 1 52 52 ASN CB C 13 41.79 0.20 . 1 . . . . 52 ASN CB . 6812 1 522 . 1 1 52 52 ASN N N 15 118.70 0.20 . 1 . . . . 52 ASN N . 6812 1 523 . 1 1 53 53 MET H H 1 7.95 0.02 . 1 . . . . 53 MET H . 6812 1 524 . 1 1 53 53 MET HA H 1 4.44 0.02 . 1 . . . . 53 MET HA . 6812 1 525 . 1 1 53 53 MET HB2 H 1 1.98 0.02 . 2 . . . . 53 MET HB2 . 6812 1 526 . 1 1 53 53 MET HB3 H 1 1.94 0.02 . 2 . . . . 53 MET HB3 . 6812 1 527 . 1 1 53 53 MET HG2 H 1 2.47 0.02 . 2 . . . . 53 MET HG2 . 6812 1 528 . 1 1 53 53 MET HG3 H 1 2.42 0.02 . 2 . . . . 53 MET HG3 . 6812 1 529 . 1 1 53 53 MET HE1 H 1 1.90 0.02 . 1 . . . . 53 MET QE . 6812 1 530 . 1 1 53 53 MET HE2 H 1 1.90 0.02 . 1 . . . . 53 MET QE . 6812 1 531 . 1 1 53 53 MET HE3 H 1 1.90 0.02 . 1 . . . . 53 MET QE . 6812 1 532 . 1 1 53 53 MET C C 13 178.70 0.20 . 1 . . . . 53 MET C . 6812 1 533 . 1 1 53 53 MET CA C 13 55.39 0.20 . 1 . . . . 53 MET CA . 6812 1 534 . 1 1 53 53 MET CB C 13 38.56 0.20 . 1 . . . . 53 MET CB . 6812 1 535 . 1 1 53 53 MET CG C 13 30.30 0.20 . 1 . . . . 53 MET CG . 6812 1 536 . 1 1 53 53 MET CE C 13 15.07 0.20 . 1 . . . . 53 MET CE . 6812 1 537 . 1 1 53 53 MET N N 15 117.95 0.20 . 1 . . . . 53 MET N . 6812 1 538 . 1 1 54 54 MET H H 1 7.45 0.02 . 1 . . . . 54 MET H . 6812 1 539 . 1 1 54 54 MET HA H 1 4.96 0.02 . 1 . . . . 54 MET HA . 6812 1 540 . 1 1 54 54 MET HB2 H 1 1.97 0.02 . 2 . . . . 54 MET HB2 . 6812 1 541 . 1 1 54 54 MET HB3 H 1 1.99 0.02 . 2 . . . . 54 MET HB3 . 6812 1 542 . 1 1 54 54 MET HG2 H 1 2.32 0.02 . 1 . . . . 54 MET QG . 6812 1 543 . 1 1 54 54 MET HG3 H 1 2.32 0.02 . 1 . . . . 54 MET QG . 6812 1 544 . 1 1 54 54 MET C C 13 173.16 0.20 . 1 . . . . 54 MET C . 6812 1 545 . 1 1 54 54 MET CA C 13 63.98 0.20 . 1 . . . . 54 MET CA . 6812 1 546 . 1 1 54 54 MET CB C 13 36.61 0.20 . 1 . . . . 54 MET CB . 6812 1 547 . 1 1 54 54 MET CG C 13 29.83 0.20 . 1 . . . . 54 MET CG . 6812 1 548 . 1 1 54 54 MET N N 15 123.69 0.20 . 1 . . . . 54 MET N . 6812 1 549 . 1 1 55 55 ASP H H 1 7.66 0.02 . 1 . . . . 55 ASP H . 6812 1 550 . 1 1 55 55 ASP HA H 1 4.62 0.02 . 1 . . . . 55 ASP HA . 6812 1 551 . 1 1 55 55 ASP HB2 H 1 2.73 0.02 . 1 . . . . 55 ASP QB . 6812 1 552 . 1 1 55 55 ASP HB3 H 1 2.73 0.02 . 1 . . . . 55 ASP QB . 6812 1 553 . 1 1 55 55 ASP C C 13 174.22 0.20 . 1 . . . . 55 ASP C . 6812 1 554 . 1 1 55 55 ASP CA C 13 52.48 0.20 . 1 . . . . 55 ASP CA . 6812 1 555 . 1 1 55 55 ASP CB C 13 39.82 0.20 . 1 . . . . 55 ASP CB . 6812 1 556 . 1 1 55 55 ASP N N 15 113.41 0.20 . 1 . . . . 55 ASP N . 6812 1 557 . 1 1 56 56 GLU H H 1 8.90 0.02 . 1 . . . . 56 GLU H . 6812 1 558 . 1 1 56 56 GLU HA H 1 3.87 0.02 . 1 . . . . 56 GLU HA . 6812 1 559 . 1 1 56 56 GLU HB2 H 1 2.05 0.02 . 1 . . . . 56 GLU QB . 6812 1 560 . 1 1 56 56 GLU HB3 H 1 2.05 0.02 . 1 . . . . 56 GLU QB . 6812 1 561 . 1 1 56 56 GLU HG2 H 1 2.36 0.02 . 1 . . . . 56 GLU QG . 6812 1 562 . 1 1 56 56 GLU HG3 H 1 2.36 0.02 . 1 . . . . 56 GLU QG . 6812 1 563 . 1 1 56 56 GLU C C 13 175.94 0.20 . 1 . . . . 56 GLU C . 6812 1 564 . 1 1 56 56 GLU CA C 13 57.24 0.20 . 1 . . . . 56 GLU CA . 6812 1 565 . 1 1 56 56 GLU CB C 13 27.03 0.20 . 1 . . . . 56 GLU CB . 6812 1 566 . 1 1 56 56 GLU CG C 13 34.24 0.20 . 1 . . . . 56 GLU CG . 6812 1 567 . 1 1 56 56 GLU N N 15 122.60 0.20 . 1 . . . . 56 GLU N . 6812 1 568 . 1 1 57 57 ALA H H 1 8.19 0.02 . 1 . . . . 57 ALA H . 6812 1 569 . 1 1 57 57 ALA HA H 1 4.14 0.02 . 1 . . . . 57 ALA HA . 6812 1 570 . 1 1 57 57 ALA HB1 H 1 1.31 0.02 . 1 . . . . 57 ALA QB . 6812 1 571 . 1 1 57 57 ALA HB2 H 1 1.31 0.02 . 1 . . . . 57 ALA QB . 6812 1 572 . 1 1 57 57 ALA HB3 H 1 1.31 0.02 . 1 . . . . 57 ALA QB . 6812 1 573 . 1 1 57 57 ALA C C 13 176.05 0.20 . 1 . . . . 57 ALA C . 6812 1 574 . 1 1 57 57 ALA CA C 13 55.76 0.20 . 1 . . . . 57 ALA CA . 6812 1 575 . 1 1 57 57 ALA CB C 13 18.22 0.20 . 1 . . . . 57 ALA CB . 6812 1 576 . 1 1 57 57 ALA N N 15 119.89 0.20 . 1 . . . . 57 ALA N . 6812 1 577 . 1 1 58 58 PHE H H 1 8.34 0.02 . 1 . . . . 58 PHE H . 6812 1 578 . 1 1 58 58 PHE HB2 H 1 3.01 0.02 . 2 . . . . 58 PHE HB2 . 6812 1 579 . 1 1 58 58 PHE HB3 H 1 3.03 0.02 . 2 . . . . 58 PHE HB3 . 6812 1 580 . 1 1 58 58 PHE C C 13 175.92 0.20 . 1 . . . . 58 PHE C . 6812 1 581 . 1 1 58 58 PHE CA C 13 56.67 0.20 . 1 . . . . 58 PHE CA . 6812 1 582 . 1 1 58 58 PHE CB C 13 37.16 0.20 . 1 . . . . 58 PHE CB . 6812 1 583 . 1 1 58 58 PHE N N 15 113.21 0.20 . 1 . . . . 58 PHE N . 6812 1 584 . 1 1 59 59 LYS H H 1 7.55 0.02 . 1 . . . . 59 LYS H . 6812 1 585 . 1 1 59 59 LYS HA H 1 4.34 0.02 . 1 . . . . 59 LYS HA . 6812 1 586 . 1 1 59 59 LYS HB2 H 1 1.92 0.02 . 1 . . . . 59 LYS QB . 6812 1 587 . 1 1 59 59 LYS HB3 H 1 1.92 0.02 . 1 . . . . 59 LYS QB . 6812 1 588 . 1 1 59 59 LYS HG2 H 1 1.40 0.02 . 1 . . . . 59 LYS QG . 6812 1 589 . 1 1 59 59 LYS HG3 H 1 1.40 0.02 . 1 . . . . 59 LYS QG . 6812 1 590 . 1 1 59 59 LYS HD2 H 1 1.65 0.02 . 1 . . . . 59 LYS QD . 6812 1 591 . 1 1 59 59 LYS HD3 H 1 1.65 0.02 . 1 . . . . 59 LYS QD . 6812 1 592 . 1 1 59 59 LYS C C 13 171.04 0.20 . 1 . . . . 59 LYS C . 6812 1 593 . 1 1 59 59 LYS CA C 13 58.62 0.20 . 1 . . . . 59 LYS CA . 6812 1 594 . 1 1 59 59 LYS CB C 13 31.55 0.20 . 1 . . . . 59 LYS CB . 6812 1 595 . 1 1 59 59 LYS CG C 13 22.62 0.20 . 1 . . . . 59 LYS CG . 6812 1 596 . 1 1 59 59 LYS CD C 13 26.85 0.20 . 1 . . . . 59 LYS CD . 6812 1 597 . 1 1 59 59 LYS N N 15 119.02 0.20 . 1 . . . . 59 LYS N . 6812 1 598 . 1 1 60 60 HIS H H 1 8.20 0.02 . 1 . . . . 60 HIS H . 6812 1 599 . 1 1 60 60 HIS HA H 1 4.32 0.02 . 1 . . . . 60 HIS HA . 6812 1 600 . 1 1 60 60 HIS HB2 H 1 3.54 0.02 . 2 . . . . 60 HIS HB2 . 6812 1 601 . 1 1 60 60 HIS HB3 H 1 3.49 0.02 . 2 . . . . 60 HIS HB3 . 6812 1 602 . 1 1 60 60 HIS C C 13 174.00 0.20 . 1 . . . . 60 HIS C . 6812 1 603 . 1 1 60 60 HIS CA C 13 56.00 0.20 . 1 . . . . 60 HIS CA . 6812 1 604 . 1 1 60 60 HIS CB C 13 32.34 0.20 . 1 . . . . 60 HIS CB . 6812 1 605 . 1 1 60 60 HIS N N 15 115.60 0.20 . 1 . . . . 60 HIS N . 6812 1 606 . 1 1 61 61 THR H H 1 7.41 0.02 . 1 . . . . 61 THR H . 6812 1 607 . 1 1 61 61 THR HA H 1 4.25 0.02 . 1 . . . . 61 THR HA . 6812 1 608 . 1 1 61 61 THR HB H 1 4.18 0.02 . 1 . . . . 61 THR HB . 6812 1 609 . 1 1 61 61 THR HG21 H 1 1.16 0.02 . 1 . . . . 61 THR QG2 . 6812 1 610 . 1 1 61 61 THR HG22 H 1 1.16 0.02 . 1 . . . . 61 THR QG2 . 6812 1 611 . 1 1 61 61 THR HG23 H 1 1.16 0.02 . 1 . . . . 61 THR QG2 . 6812 1 612 . 1 1 61 61 THR C C 13 176.10 0.20 . 1 . . . . 61 THR C . 6812 1 613 . 1 1 61 61 THR CA C 13 60.14 0.20 . 1 . . . . 61 THR CA . 6812 1 614 . 1 1 61 61 THR CB C 13 70.20 0.20 . 1 . . . . 61 THR CB . 6812 1 615 . 1 1 61 61 THR N N 15 110.00 0.20 . 1 . . . . 61 THR N . 6812 1 616 . 1 1 62 62 ALA H H 1 7.93 0.02 . 1 . . . . 62 ALA H . 6812 1 617 . 1 1 62 62 ALA HA H 1 4.54 0.02 . 1 . . . . 62 ALA HA . 6812 1 618 . 1 1 62 62 ALA HB1 H 1 1.20 0.02 . 1 . . . . 62 ALA QB . 6812 1 619 . 1 1 62 62 ALA HB2 H 1 1.20 0.02 . 1 . . . . 62 ALA QB . 6812 1 620 . 1 1 62 62 ALA HB3 H 1 1.20 0.02 . 1 . . . . 62 ALA QB . 6812 1 621 . 1 1 62 62 ALA C C 13 172.90 0.20 . 1 . . . . 62 ALA C . 6812 1 622 . 1 1 62 62 ALA CA C 13 59.78 0.20 . 1 . . . . 62 ALA CA . 6812 1 623 . 1 1 62 62 ALA CB C 13 19.37 0.20 . 1 . . . . 62 ALA CB . 6812 1 624 . 1 1 62 62 ALA N N 15 115.00 0.20 . 1 . . . . 62 ALA N . 6812 1 625 . 1 1 63 63 ARG H H 1 7.15 0.02 . 1 . . . . 63 ARG H . 6812 1 626 . 1 1 63 63 ARG HA H 1 4.43 0.02 . 1 . . . . 63 ARG HA . 6812 1 627 . 1 1 63 63 ARG HB2 H 1 1.76 0.02 . 1 . . . . 63 ARG QB . 6812 1 628 . 1 1 63 63 ARG HB3 H 1 1.76 0.02 . 1 . . . . 63 ARG QB . 6812 1 629 . 1 1 63 63 ARG HG2 H 1 1.61 0.02 . 1 . . . . 63 ARG QG . 6812 1 630 . 1 1 63 63 ARG HG3 H 1 1.61 0.02 . 1 . . . . 63 ARG QG . 6812 1 631 . 1 1 63 63 ARG HD2 H 1 3.18 0.02 . 1 . . . . 63 ARG QD . 6812 1 632 . 1 1 63 63 ARG HD3 H 1 3.18 0.02 . 1 . . . . 63 ARG QD . 6812 1 633 . 1 1 63 63 ARG C C 13 171.20 0.20 . 1 . . . . 63 ARG C . 6812 1 634 . 1 1 63 63 ARG CA C 13 55.94 0.20 . 1 . . . . 63 ARG CA . 6812 1 635 . 1 1 63 63 ARG CB C 13 30.08 0.20 . 1 . . . . 63 ARG CB . 6812 1 636 . 1 1 63 63 ARG CG C 13 24.93 0.20 . 1 . . . . 63 ARG CG . 6812 1 637 . 1 1 63 63 ARG CD C 13 41.79 0.20 . 1 . . . . 63 ARG CD . 6812 1 638 . 1 1 63 63 ARG N N 15 111.90 0.20 . 1 . . . . 63 ARG N . 6812 1 639 . 1 1 64 64 HIS H H 1 8.40 0.02 . 1 . . . . 64 HIS H . 6812 1 640 . 1 1 64 64 HIS HA H 1 4.83 0.02 . 1 . . . . 64 HIS HA . 6812 1 641 . 1 1 64 64 HIS HB2 H 1 3.03 0.02 . 1 . . . . 64 HIS QB . 6812 1 642 . 1 1 64 64 HIS HB3 H 1 3.03 0.02 . 1 . . . . 64 HIS QB . 6812 1 643 . 1 1 64 64 HIS C C 13 172.97 0.20 . 1 . . . . 64 HIS C . 6812 1 644 . 1 1 64 64 HIS CA C 13 53.38 0.20 . 1 . . . . 64 HIS CA . 6812 1 645 . 1 1 64 64 HIS CB C 13 27.12 0.20 . 1 . . . . 64 HIS CB . 6812 1 646 . 1 1 64 64 HIS N N 15 119.33 0.20 . 1 . . . . 64 HIS N . 6812 1 647 . 1 1 65 65 ASN H H 1 7.37 0.02 . 1 . . . . 65 ASN H . 6812 1 648 . 1 1 65 65 ASN HA H 1 4.92 0.02 . 1 . . . . 65 ASN HA . 6812 1 649 . 1 1 65 65 ASN HB2 H 1 2.69 0.02 . 1 . . . . 65 ASN QB . 6812 1 650 . 1 1 65 65 ASN HB3 H 1 2.69 0.02 . 1 . . . . 65 ASN QB . 6812 1 651 . 1 1 65 65 ASN C C 13 172.11 0.20 . 1 . . . . 65 ASN C . 6812 1 652 . 1 1 65 65 ASN CA C 13 52.83 0.20 . 1 . . . . 65 ASN CA . 6812 1 653 . 1 1 65 65 ASN CB C 13 41.85 0.20 . 1 . . . . 65 ASN CB . 6812 1 654 . 1 1 65 65 ASN N N 15 116.00 0.20 . 1 . . . . 65 ASN N . 6812 1 655 . 1 1 66 66 VAL H H 1 8.35 0.02 . 1 . . . . 66 VAL H . 6812 1 656 . 1 1 66 66 VAL HA H 1 4.67 0.02 . 1 . . . . 66 VAL HA . 6812 1 657 . 1 1 66 66 VAL HB H 1 1.91 0.02 . 1 . . . . 66 VAL HB . 6812 1 658 . 1 1 66 66 VAL HG11 H 1 0.87 0.02 . 2 . . . . 66 VAL HG1 . 6812 1 659 . 1 1 66 66 VAL HG12 H 1 0.87 0.02 . 2 . . . . 66 VAL HG1 . 6812 1 660 . 1 1 66 66 VAL HG13 H 1 0.87 0.02 . 2 . . . . 66 VAL HG1 . 6812 1 661 . 1 1 66 66 VAL HG21 H 1 0.82 0.02 . 2 . . . . 66 VAL HG2 . 6812 1 662 . 1 1 66 66 VAL HG22 H 1 0.82 0.02 . 2 . . . . 66 VAL HG2 . 6812 1 663 . 1 1 66 66 VAL HG23 H 1 0.82 0.02 . 2 . . . . 66 VAL HG2 . 6812 1 664 . 1 1 66 66 VAL C C 13 172.46 0.20 . 1 . . . . 66 VAL C . 6812 1 665 . 1 1 66 66 VAL CA C 13 58.27 0.20 . 1 . . . . 66 VAL CA . 6812 1 666 . 1 1 66 66 VAL CB C 13 32.07 0.20 . 1 . . . . 66 VAL CB . 6812 1 667 . 1 1 66 66 VAL CG2 C 13 20.40 0.20 . 1 . . . . 66 VAL CG2 . 6812 1 668 . 1 1 66 66 VAL N N 15 118.86 0.20 . 1 . . . . 66 VAL N . 6812 1 669 . 1 1 67 67 ASP H H 1 8.79 0.02 . 1 . . . . 67 ASP H . 6812 1 670 . 1 1 67 67 ASP HA H 1 4.82 0.02 . 1 . . . . 67 ASP HA . 6812 1 671 . 1 1 67 67 ASP HB2 H 1 2.82 0.02 . 2 . . . . 67 ASP HB2 . 6812 1 672 . 1 1 67 67 ASP HB3 H 1 2.78 0.02 . 2 . . . . 67 ASP HB3 . 6812 1 673 . 1 1 67 67 ASP C C 13 173.64 0.20 . 1 . . . . 67 ASP C . 6812 1 674 . 1 1 67 67 ASP CA C 13 58.05 0.20 . 1 . . . . 67 ASP CA . 6812 1 675 . 1 1 67 67 ASP CB C 13 39.41 0.20 . 1 . . . . 67 ASP CB . 6812 1 676 . 1 1 67 67 ASP N N 15 123.13 0.20 . 1 . . . . 67 ASP N . 6812 1 677 . 1 1 68 68 GLU H H 1 8.18 0.02 . 1 . . . . 68 GLU H . 6812 1 678 . 1 1 68 68 GLU HA H 1 4.01 0.02 . 1 . . . . 68 GLU HA . 6812 1 679 . 1 1 68 68 GLU HB2 H 1 1.95 0.02 . 1 . . . . 68 GLU QB . 6812 1 680 . 1 1 68 68 GLU HB3 H 1 1.95 0.02 . 1 . . . . 68 GLU QB . 6812 1 681 . 1 1 68 68 GLU HG2 H 1 2.23 0.02 . 1 . . . . 68 GLU QG . 6812 1 682 . 1 1 68 68 GLU HG3 H 1 2.23 0.02 . 1 . . . . 68 GLU QG . 6812 1 683 . 1 1 68 68 GLU C C 13 178.73 0.20 . 1 . . . . 68 GLU C . 6812 1 684 . 1 1 68 68 GLU CA C 13 56.06 0.20 . 1 . . . . 68 GLU CA . 6812 1 685 . 1 1 68 68 GLU CB C 13 29.05 0.20 . 1 . . . . 68 GLU CB . 6812 1 686 . 1 1 68 68 GLU CG C 13 34.05 0.20 . 1 . . . . 68 GLU CG . 6812 1 687 . 1 1 68 68 GLU N N 15 122.02 0.20 . 1 . . . . 68 GLU N . 6812 1 688 . 1 1 69 69 LEU H H 1 7.84 0.02 . 1 . . . . 69 LEU H . 6812 1 689 . 1 1 69 69 LEU HA H 1 3.99 0.02 . 1 . . . . 69 LEU HA . 6812 1 690 . 1 1 69 69 LEU HB2 H 1 1.74 0.02 . 1 . . . . 69 LEU QB . 6812 1 691 . 1 1 69 69 LEU HB3 H 1 1.74 0.02 . 1 . . . . 69 LEU QB . 6812 1 692 . 1 1 69 69 LEU HG H 1 1.73 0.02 . 1 . . . . 69 LEU HG . 6812 1 693 . 1 1 69 69 LEU HD11 H 1 0.93 0.02 . 2 . . . . 69 LEU HD1 . 6812 1 694 . 1 1 69 69 LEU HD12 H 1 0.93 0.02 . 2 . . . . 69 LEU HD1 . 6812 1 695 . 1 1 69 69 LEU HD13 H 1 0.93 0.02 . 2 . . . . 69 LEU HD1 . 6812 1 696 . 1 1 69 69 LEU HD21 H 1 0.83 0.02 . 2 . . . . 69 LEU HD2 . 6812 1 697 . 1 1 69 69 LEU HD22 H 1 0.83 0.02 . 2 . . . . 69 LEU HD2 . 6812 1 698 . 1 1 69 69 LEU HD23 H 1 0.83 0.02 . 2 . . . . 69 LEU HD2 . 6812 1 699 . 1 1 69 69 LEU C C 13 172.80 0.20 . 1 . . . . 69 LEU C . 6812 1 700 . 1 1 69 69 LEU CA C 13 56.06 0.20 . 1 . . . . 69 LEU CA . 6812 1 701 . 1 1 69 69 LEU CB C 13 45.02 0.20 . 1 . . . . 69 LEU CB . 6812 1 702 . 1 1 69 69 LEU CG C 13 24.91 0.20 . 1 . . . . 69 LEU CG . 6812 1 703 . 1 1 69 69 LEU CD1 C 13 22.21 0.20 . 1 . . . . 69 LEU CD1 . 6812 1 704 . 1 1 69 69 LEU N N 15 109.15 0.20 . 1 . . . . 69 LEU N . 6812 1 705 . 1 1 70 70 HIS H H 1 7.84 0.02 . 1 . . . . 70 HIS H . 6812 1 706 . 1 1 70 70 HIS HA H 1 4.62 0.02 . 1 . . . . 70 HIS HA . 6812 1 707 . 1 1 70 70 HIS HB2 H 1 3.12 0.02 . 2 . . . . 70 HIS HB2 . 6812 1 708 . 1 1 70 70 HIS HB3 H 1 3.05 0.02 . 2 . . . . 70 HIS HB3 . 6812 1 709 . 1 1 70 70 HIS C C 13 171.50 0.20 . 1 . . . . 70 HIS C . 6812 1 710 . 1 1 70 70 HIS CA C 13 56.24 0.20 . 1 . . . . 70 HIS CA . 6812 1 711 . 1 1 70 70 HIS CB C 13 33.77 0.20 . 1 . . . . 70 HIS CB . 6812 1 712 . 1 1 70 70 HIS N N 15 111.02 0.20 . 1 . . . . 70 HIS N . 6812 1 713 . 1 1 71 71 ILE H H 1 7.75 0.02 . 1 . . . . 71 ILE H . 6812 1 714 . 1 1 71 71 ILE HA H 1 4.02 0.02 . 1 . . . . 71 ILE HA . 6812 1 715 . 1 1 71 71 ILE HB H 1 1.65 0.02 . 1 . . . . 71 ILE HB . 6812 1 716 . 1 1 71 71 ILE HG12 H 1 1.27 0.02 . 1 . . . . 71 ILE QG1 . 6812 1 717 . 1 1 71 71 ILE HG13 H 1 1.27 0.02 . 1 . . . . 71 ILE QG1 . 6812 1 718 . 1 1 71 71 ILE HG21 H 1 0.69 0.02 . 1 . . . . 71 ILE QG2 . 6812 1 719 . 1 1 71 71 ILE HG22 H 1 0.69 0.02 . 1 . . . . 71 ILE QG2 . 6812 1 720 . 1 1 71 71 ILE HG23 H 1 0.69 0.02 . 1 . . . . 71 ILE QG2 . 6812 1 721 . 1 1 71 71 ILE HD11 H 1 0.79 0.02 . 1 . . . . 71 ILE QD1 . 6812 1 722 . 1 1 71 71 ILE HD12 H 1 0.79 0.02 . 1 . . . . 71 ILE QD1 . 6812 1 723 . 1 1 71 71 ILE HD13 H 1 0.79 0.02 . 1 . . . . 71 ILE QD1 . 6812 1 724 . 1 1 71 71 ILE C C 13 178.40 0.20 . 1 . . . . 71 ILE C . 6812 1 725 . 1 1 71 71 ILE CA C 13 56.00 0.20 . 1 . . . . 71 ILE CA . 6812 1 726 . 1 1 71 71 ILE CB C 13 33.52 0.20 . 1 . . . . 71 ILE CB . 6812 1 727 . 1 1 71 71 ILE CG1 C 13 24.26 0.20 . 1 . . . . 71 ILE CG1 . 6812 1 728 . 1 1 71 71 ILE CG2 C 13 18.43 0.20 . 1 . . . . 71 ILE CG2 . 6812 1 729 . 1 1 71 71 ILE CD1 C 13 12.11 0.20 . 1 . . . . 71 ILE CD1 . 6812 1 730 . 1 1 71 71 ILE N N 15 118.00 0.20 . 1 . . . . 71 ILE N . 6812 1 731 . 1 1 72 72 ASP H H 1 8.62 0.02 . 1 . . . . 72 ASP H . 6812 1 732 . 1 1 72 72 ASP HA H 1 4.87 0.02 . 1 . . . . 72 ASP HA . 6812 1 733 . 1 1 72 72 ASP HB2 H 1 2.68 0.02 . 2 . . . . 72 ASP HB2 . 6812 1 734 . 1 1 72 72 ASP HB3 H 1 2.73 0.02 . 2 . . . . 72 ASP HB3 . 6812 1 735 . 1 1 72 72 ASP C C 13 172.39 0.20 . 1 . . . . 72 ASP C . 6812 1 736 . 1 1 72 72 ASP CA C 13 56.73 0.20 . 1 . . . . 72 ASP CA . 6812 1 737 . 1 1 72 72 ASP CB C 13 45.75 0.20 . 1 . . . . 72 ASP CB . 6812 1 738 . 1 1 72 72 ASP N N 15 111.22 0.20 . 1 . . . . 72 ASP N . 6812 1 739 . 1 1 73 73 GLY H H 1 8.88 0.02 . 1 . . . . 73 GLY H . 6812 1 740 . 1 1 73 73 GLY HA2 H 1 3.98 0.02 . 1 . . . . 73 GLY QA . 6812 1 741 . 1 1 73 73 GLY HA3 H 1 3.98 0.02 . 1 . . . . 73 GLY QA . 6812 1 742 . 1 1 73 73 GLY C C 13 171.86 0.20 . 1 . . . . 73 GLY C . 6812 1 743 . 1 1 73 73 GLY CA C 13 42.78 0.20 . 1 . . . . 73 GLY CA . 6812 1 744 . 1 1 73 73 GLY N N 15 111.21 0.20 . 1 . . . . 73 GLY N . 6812 1 745 . 1 1 74 74 ASN H H 1 9.07 0.02 . 1 . . . . 74 ASN H . 6812 1 746 . 1 1 74 74 ASN HA H 1 5.19 0.02 . 1 . . . . 74 ASN HA . 6812 1 747 . 1 1 74 74 ASN HB2 H 1 2.80 0.02 . 2 . . . . 74 ASN HB2 . 6812 1 748 . 1 1 74 74 ASN HB3 H 1 2.76 0.02 . 2 . . . . 74 ASN HB3 . 6812 1 749 . 1 1 74 74 ASN C C 13 177.50 0.20 . 1 . . . . 74 ASN C . 6812 1 750 . 1 1 74 74 ASN CA C 13 55.20 0.20 . 1 . . . . 74 ASN CA . 6812 1 751 . 1 1 74 74 ASN CB C 13 42.22 0.20 . 1 . . . . 74 ASN CB . 6812 1 752 . 1 1 74 74 ASN N N 15 124.27 0.20 . 1 . . . . 74 ASN N . 6812 1 753 . 1 1 75 75 TYR H H 1 8.77 0.02 . 1 . . . . 75 TYR H . 6812 1 754 . 1 1 75 75 TYR HA H 1 5.23 0.02 . 1 . . . . 75 TYR HA . 6812 1 755 . 1 1 75 75 TYR HB2 H 1 2.67 0.02 . 1 . . . . 75 TYR QB . 6812 1 756 . 1 1 75 75 TYR HB3 H 1 2.67 0.02 . 1 . . . . 75 TYR QB . 6812 1 757 . 1 1 75 75 TYR C C 13 171.60 0.20 . 1 . . . . 75 TYR C . 6812 1 758 . 1 1 75 75 TYR CA C 13 53.74 0.20 . 1 . . . . 75 TYR CA . 6812 1 759 . 1 1 75 75 TYR CB C 13 42.28 0.20 . 1 . . . . 75 TYR CB . 6812 1 760 . 1 1 75 75 TYR N N 15 126.90 0.20 . 1 . . . . 75 TYR N . 6812 1 761 . 1 1 76 76 GLN H H 1 9.09 0.02 . 1 . . . . 76 GLN H . 6812 1 762 . 1 1 76 76 GLN HA H 1 4.92 0.02 . 1 . . . . 76 GLN HA . 6812 1 763 . 1 1 76 76 GLN HB2 H 1 1.98 0.02 . 1 . . . . 76 GLN QB . 6812 1 764 . 1 1 76 76 GLN HB3 H 1 1.98 0.02 . 1 . . . . 76 GLN QB . 6812 1 765 . 1 1 76 76 GLN HG2 H 1 2.29 0.02 . 2 . . . . 76 GLN HG2 . 6812 1 766 . 1 1 76 76 GLN HG3 H 1 2.31 0.02 . 2 . . . . 76 GLN HG3 . 6812 1 767 . 1 1 76 76 GLN C C 13 173.52 0.20 . 1 . . . . 76 GLN C . 6812 1 768 . 1 1 76 76 GLN CA C 13 53.09 0.20 . 1 . . . . 76 GLN CA . 6812 1 769 . 1 1 76 76 GLN CB C 13 28.38 0.20 . 1 . . . . 76 GLN CB . 6812 1 770 . 1 1 76 76 GLN CG C 13 31.42 0.20 . 1 . . . . 76 GLN CG . 6812 1 771 . 1 1 76 76 GLN N N 15 125.73 0.20 . 1 . . . . 76 GLN N . 6812 1 772 . 1 1 77 77 LEU H H 1 8.81 0.02 . 1 . . . . 77 LEU H . 6812 1 773 . 1 1 77 77 LEU HA H 1 4.76 0.02 . 1 . . . . 77 LEU HA . 6812 1 774 . 1 1 77 77 LEU HB2 H 1 1.62 0.02 . 2 . . . . 77 LEU HB2 . 6812 1 775 . 1 1 77 77 LEU HB3 H 1 1.58 0.02 . 2 . . . . 77 LEU HB3 . 6812 1 776 . 1 1 77 77 LEU HG H 1 1.55 0.02 . 1 . . . . 77 LEU HG . 6812 1 777 . 1 1 77 77 LEU HD11 H 1 0.77 0.02 . 2 . . . . 77 LEU HD1 . 6812 1 778 . 1 1 77 77 LEU HD12 H 1 0.77 0.02 . 2 . . . . 77 LEU HD1 . 6812 1 779 . 1 1 77 77 LEU HD13 H 1 0.77 0.02 . 2 . . . . 77 LEU HD1 . 6812 1 780 . 1 1 77 77 LEU HD21 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 6812 1 781 . 1 1 77 77 LEU HD22 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 6812 1 782 . 1 1 77 77 LEU HD23 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 6812 1 783 . 1 1 77 77 LEU C C 13 174.22 0.20 . 1 . . . . 77 LEU C . 6812 1 784 . 1 1 77 77 LEU CA C 13 52.41 0.20 . 1 . . . . 77 LEU CA . 6812 1 785 . 1 1 77 77 LEU CB C 13 42.77 0.20 . 1 . . . . 77 LEU CB . 6812 1 786 . 1 1 77 77 LEU CG C 13 24.03 0.20 . 1 . . . . 77 LEU CG . 6812 1 787 . 1 1 77 77 LEU CD1 C 13 22.35 0.20 . 1 . . . . 77 LEU CD1 . 6812 1 788 . 1 1 77 77 LEU N N 15 129.86 0.20 . 1 . . . . 77 LEU N . 6812 1 789 . 1 1 78 78 GLY H H 1 8.26 0.02 . 1 . . . . 78 GLY H . 6812 1 790 . 1 1 78 78 GLY HA2 H 1 4.11 0.02 . 1 . . . . 78 GLY QA . 6812 1 791 . 1 1 78 78 GLY HA3 H 1 4.11 0.02 . 1 . . . . 78 GLY QA . 6812 1 792 . 1 1 78 78 GLY C C 13 172.61 0.20 . 1 . . . . 78 GLY C . 6812 1 793 . 1 1 78 78 GLY CA C 13 42.69 0.20 . 1 . . . . 78 GLY CA . 6812 1 794 . 1 1 78 78 GLY N N 15 111.52 0.20 . 1 . . . . 78 GLY N . 6812 1 795 . 1 1 79 79 ARG H H 1 8.63 0.02 . 1 . . . . 79 ARG H . 6812 1 796 . 1 1 79 79 ARG HA H 1 4.05 0.02 . 1 . . . . 79 ARG HA . 6812 1 797 . 1 1 79 79 ARG HB2 H 1 1.83 0.02 . 2 . . . . 79 ARG HB2 . 6812 1 798 . 1 1 79 79 ARG HB3 H 1 1.81 0.02 . 2 . . . . 79 ARG HB3 . 6812 1 799 . 1 1 79 79 ARG HG2 H 1 1.68 0.02 . 2 . . . . 79 ARG HG2 . 6812 1 800 . 1 1 79 79 ARG HG3 H 1 1.65 0.02 . 2 . . . . 79 ARG HG3 . 6812 1 801 . 1 1 79 79 ARG HD2 H 1 3.27 0.02 . 1 . . . . 79 ARG QD . 6812 1 802 . 1 1 79 79 ARG HD3 H 1 3.27 0.02 . 1 . . . . 79 ARG QD . 6812 1 803 . 1 1 79 79 ARG C C 13 173.20 0.20 . 1 . . . . 79 ARG C . 6812 1 804 . 1 1 79 79 ARG CA C 13 55.71 0.20 . 1 . . . . 79 ARG CA . 6812 1 805 . 1 1 79 79 ARG CB C 13 33.71 0.20 . 1 . . . . 79 ARG CB . 6812 1 806 . 1 1 79 79 ARG CG C 13 25.73 0.20 . 1 . . . . 79 ARG CG . 6812 1 807 . 1 1 79 79 ARG CD C 13 41.29 0.20 . 1 . . . . 79 ARG CD . 6812 1 808 . 1 1 79 79 ARG N N 15 118.42 0.20 . 1 . . . . 79 ARG N . 6812 1 809 . 1 1 80 80 ASN H H 1 8.58 0.02 . 1 . . . . 80 ASN H . 6812 1 810 . 1 1 80 80 ASN HA H 1 4.76 0.02 . 1 . . . . 80 ASN HA . 6812 1 811 . 1 1 80 80 ASN HB2 H 1 2.87 0.02 . 1 . . . . 80 ASN QB . 6812 1 812 . 1 1 80 80 ASN HB3 H 1 2.87 0.02 . 1 . . . . 80 ASN QB . 6812 1 813 . 1 1 80 80 ASN C C 13 177.20 0.20 . 1 . . . . 80 ASN C . 6812 1 814 . 1 1 80 80 ASN CA C 13 57.77 0.20 . 1 . . . . 80 ASN CA . 6812 1 815 . 1 1 80 80 ASN CB C 13 41.61 0.20 . 1 . . . . 80 ASN CB . 6812 1 816 . 1 1 80 80 ASN N N 15 126.00 0.20 . 1 . . . . 80 ASN N . 6812 1 817 . 1 1 81 81 VAL H H 1 8.93 0.02 . 1 . . . . 81 VAL H . 6812 1 818 . 1 1 81 81 VAL HA H 1 4.50 0.02 . 1 . . . . 81 VAL HA . 6812 1 819 . 1 1 81 81 VAL HB H 1 1.96 0.02 . 1 . . . . 81 VAL HB . 6812 1 820 . 1 1 81 81 VAL HG11 H 1 0.84 0.02 . 2 . . . . 81 VAL HG1 . 6812 1 821 . 1 1 81 81 VAL HG12 H 1 0.84 0.02 . 2 . . . . 81 VAL HG1 . 6812 1 822 . 1 1 81 81 VAL HG13 H 1 0.84 0.02 . 2 . . . . 81 VAL HG1 . 6812 1 823 . 1 1 81 81 VAL HG21 H 1 0.88 0.02 . 2 . . . . 81 VAL HG2 . 6812 1 824 . 1 1 81 81 VAL HG22 H 1 0.88 0.02 . 2 . . . . 81 VAL HG2 . 6812 1 825 . 1 1 81 81 VAL HG23 H 1 0.88 0.02 . 2 . . . . 81 VAL HG2 . 6812 1 826 . 1 1 81 81 VAL C C 13 171.80 0.20 . 1 . . . . 81 VAL C . 6812 1 827 . 1 1 81 81 VAL CA C 13 54.41 0.20 . 1 . . . . 81 VAL CA . 6812 1 828 . 1 1 81 81 VAL CB C 13 35.82 0.20 . 1 . . . . 81 VAL CB . 6812 1 829 . 1 1 81 81 VAL N N 15 128.18 0.20 . 1 . . . . 81 VAL N . 6812 1 830 . 1 1 82 82 LEU H H 1 8.75 0.02 . 1 . . . . 82 LEU H . 6812 1 831 . 1 1 82 82 LEU HA H 1 4.93 0.02 . 1 . . . . 82 LEU HA . 6812 1 832 . 1 1 82 82 LEU HB2 H 1 1.55 0.02 . 2 . . . . 82 LEU HB2 . 6812 1 833 . 1 1 82 82 LEU HB3 H 1 1.58 0.02 . 2 . . . . 82 LEU HB3 . 6812 1 834 . 1 1 82 82 LEU HG H 1 1.48 0.02 . 1 . . . . 82 LEU HG . 6812 1 835 . 1 1 82 82 LEU C C 13 178.18 0.20 . 1 . . . . 82 LEU C . 6812 1 836 . 1 1 82 82 LEU CA C 13 57.83 0.20 . 1 . . . . 82 LEU CA . 6812 1 837 . 1 1 82 82 LEU CB C 13 42.40 0.20 . 1 . . . . 82 LEU CB . 6812 1 838 . 1 1 82 82 LEU CG C 13 25.17 0.20 . 1 . . . . 82 LEU CG . 6812 1 839 . 1 1 82 82 LEU N N 15 125.78 0.20 . 1 . . . . 82 LEU N . 6812 1 840 . 1 1 83 83 LEU H H 1 9.10 0.02 . 1 . . . . 83 LEU H . 6812 1 841 . 1 1 83 83 LEU HA H 1 5.08 0.02 . 1 . . . . 83 LEU HA . 6812 1 842 . 1 1 83 83 LEU HB2 H 1 1.65 0.02 . 1 . . . . 83 LEU QB . 6812 1 843 . 1 1 83 83 LEU HB3 H 1 1.65 0.02 . 1 . . . . 83 LEU QB . 6812 1 844 . 1 1 83 83 LEU HG H 1 1.42 0.02 . 1 . . . . 83 LEU HG . 6812 1 845 . 1 1 83 83 LEU HD11 H 1 0.80 0.02 . 1 . . . . 83 LEU HD1 . 6812 1 846 . 1 1 83 83 LEU HD12 H 1 0.80 0.02 . 1 . . . . 83 LEU HD1 . 6812 1 847 . 1 1 83 83 LEU HD13 H 1 0.80 0.02 . 1 . . . . 83 LEU HD1 . 6812 1 848 . 1 1 83 83 LEU HD21 H 1 0.80 0.02 . 1 . . . . 83 LEU HD2 . 6812 1 849 . 1 1 83 83 LEU HD22 H 1 0.80 0.02 . 1 . . . . 83 LEU HD2 . 6812 1 850 . 1 1 83 83 LEU HD23 H 1 0.80 0.02 . 1 . . . . 83 LEU HD2 . 6812 1 851 . 1 1 83 83 LEU C C 13 173.37 0.20 . 1 . . . . 83 LEU C . 6812 1 852 . 1 1 83 83 LEU CA C 13 58.01 0.20 . 1 . . . . 83 LEU CA . 6812 1 853 . 1 1 83 83 LEU CB C 13 43.50 0.20 . 1 . . . . 83 LEU CB . 6812 1 854 . 1 1 83 83 LEU CG C 13 24.10 0.20 . 1 . . . . 83 LEU CG . 6812 1 855 . 1 1 83 83 LEU N N 15 109.60 0.20 . 1 . . . . 83 LEU N . 6812 1 856 . 1 1 84 84 LYS H H 1 8.61 0.02 . 1 . . . . 84 LYS H . 6812 1 857 . 1 1 84 84 LYS HA H 1 4.92 0.02 . 1 . . . . 84 LYS HA . 6812 1 858 . 1 1 84 84 LYS HB2 H 1 1.77 0.02 . 2 . . . . 84 LYS HB2 . 6812 1 859 . 1 1 84 84 LYS HB3 H 1 1.73 0.02 . 2 . . . . 84 LYS HB3 . 6812 1 860 . 1 1 84 84 LYS HG2 H 1 1.27 0.02 . 1 . . . . 84 LYS QG . 6812 1 861 . 1 1 84 84 LYS HG3 H 1 1.27 0.02 . 1 . . . . 84 LYS QG . 6812 1 862 . 1 1 84 84 LYS HD2 H 1 1.53 0.02 . 1 . . . . 84 LYS QD . 6812 1 863 . 1 1 84 84 LYS HD3 H 1 1.53 0.02 . 1 . . . . 84 LYS QD . 6812 1 864 . 1 1 84 84 LYS HE2 H 1 2.78 0.02 . 1 . . . . 84 LYS QE . 6812 1 865 . 1 1 84 84 LYS HE3 H 1 2.78 0.02 . 1 . . . . 84 LYS QE . 6812 1 866 . 1 1 84 84 LYS C C 13 172.60 0.20 . 1 . . . . 84 LYS C . 6812 1 867 . 1 1 84 84 LYS CA C 13 53.18 0.20 . 1 . . . . 84 LYS CA . 6812 1 868 . 1 1 84 84 LYS CB C 13 32.48 0.20 . 1 . . . . 84 LYS CB . 6812 1 869 . 1 1 84 84 LYS CG C 13 23.92 0.20 . 1 . . . . 84 LYS CG . 6812 1 870 . 1 1 84 84 LYS CD C 13 26.50 0.20 . 1 . . . . 84 LYS CD . 6812 1 871 . 1 1 84 84 LYS CE C 13 39.20 0.20 . 1 . . . . 84 LYS CE . 6812 1 872 . 1 1 84 84 LYS N N 15 121.05 0.20 . 1 . . . . 84 LYS N . 6812 1 873 . 1 1 85 85 ASN H H 1 9.01 0.02 . 1 . . . . 85 ASN H . 6812 1 874 . 1 1 85 85 ASN HA H 1 5.21 0.02 . 1 . . . . 85 ASN HA . 6812 1 875 . 1 1 85 85 ASN HB2 H 1 2.69 0.02 . 1 . . . . 85 ASN QB . 6812 1 876 . 1 1 85 85 ASN HB3 H 1 2.69 0.02 . 1 . . . . 85 ASN QB . 6812 1 877 . 1 1 85 85 ASN C C 13 172.83 0.20 . 1 . . . . 85 ASN C . 6812 1 878 . 1 1 85 85 ASN CA C 13 51.43 0.20 . 1 . . . . 85 ASN CA . 6812 1 879 . 1 1 85 85 ASN CB C 13 39.20 0.20 . 1 . . . . 85 ASN CB . 6812 1 880 . 1 1 85 85 ASN N N 15 117.08 0.20 . 1 . . . . 85 ASN N . 6812 1 881 . 1 1 86 86 GLY H H 1 9.17 0.02 . 1 . . . . 86 GLY H . 6812 1 882 . 1 1 86 86 GLY HA2 H 1 3.98 0.02 . 2 . . . . 86 GLY HA2 . 6812 1 883 . 1 1 86 86 GLY HA3 H 1 3.93 0.02 . 2 . . . . 86 GLY HA3 . 6812 1 884 . 1 1 86 86 GLY C C 13 179.34 0.20 . 1 . . . . 86 GLY C . 6812 1 885 . 1 1 86 86 GLY CA C 13 45.49 0.20 . 1 . . . . 86 GLY CA . 6812 1 886 . 1 1 86 86 GLY N N 15 112.22 0.20 . 1 . . . . 86 GLY N . 6812 1 887 . 1 1 87 87 GLU H H 1 8.17 0.02 . 1 . . . . 87 GLU H . 6812 1 888 . 1 1 87 87 GLU HA H 1 4.27 0.02 . 1 . . . . 87 GLU HA . 6812 1 889 . 1 1 87 87 GLU HB2 H 1 2.17 0.02 . 1 . . . . 87 GLU QB . 6812 1 890 . 1 1 87 87 GLU HB3 H 1 2.17 0.02 . 1 . . . . 87 GLU QB . 6812 1 891 . 1 1 87 87 GLU HG2 H 1 2.31 0.02 . 1 . . . . 87 GLU QG . 6812 1 892 . 1 1 87 87 GLU HG3 H 1 2.31 0.02 . 1 . . . . 87 GLU QG . 6812 1 893 . 1 1 87 87 GLU C C 13 173.34 0.20 . 1 . . . . 87 GLU C . 6812 1 894 . 1 1 87 87 GLU CA C 13 56.36 0.20 . 1 . . . . 87 GLU CA . 6812 1 895 . 1 1 87 87 GLU CB C 13 30.51 0.20 . 1 . . . . 87 GLU CB . 6812 1 896 . 1 1 87 87 GLU CG C 13 34.06 0.20 . 1 . . . . 87 GLU CG . 6812 1 897 . 1 1 87 87 GLU N N 15 120.22 0.20 . 1 . . . . 87 GLU N . 6812 1 898 . 1 1 88 88 ASP H H 1 7.83 0.02 . 1 . . . . 88 ASP H . 6812 1 899 . 1 1 88 88 ASP HA H 1 4.67 0.02 . 1 . . . . 88 ASP HA . 6812 1 900 . 1 1 88 88 ASP HB2 H 1 2.67 0.02 . 1 . . . . 88 ASP QB . 6812 1 901 . 1 1 88 88 ASP HB3 H 1 2.67 0.02 . 1 . . . . 88 ASP QB . 6812 1 902 . 1 1 88 88 ASP C C 13 175.23 0.20 . 1 . . . . 88 ASP C . 6812 1 903 . 1 1 88 88 ASP CA C 13 57.09 0.20 . 1 . . . . 88 ASP CA . 6812 1 904 . 1 1 88 88 ASP CB C 13 45.69 0.20 . 1 . . . . 88 ASP CB . 6812 1 905 . 1 1 88 88 ASP N N 15 115.40 0.20 . 1 . . . . 88 ASP N . 6812 1 906 . 1 1 89 89 ARG H H 1 8.77 0.02 . 1 . . . . 89 ARG H . 6812 1 907 . 1 1 89 89 ARG HA H 1 4.10 0.02 . 1 . . . . 89 ARG HA . 6812 1 908 . 1 1 89 89 ARG HB2 H 1 1.86 0.02 . 2 . . . . 89 ARG HB2 . 6812 1 909 . 1 1 89 89 ARG HB3 H 1 1.88 0.02 . 2 . . . . 89 ARG HB3 . 6812 1 910 . 1 1 89 89 ARG HG2 H 1 1.70 0.02 . 1 . . . . 89 ARG QG . 6812 1 911 . 1 1 89 89 ARG HG3 H 1 1.70 0.02 . 1 . . . . 89 ARG QG . 6812 1 912 . 1 1 89 89 ARG HD2 H 1 3.33 0.02 . 1 . . . . 89 ARG QD . 6812 1 913 . 1 1 89 89 ARG HD3 H 1 3.33 0.02 . 1 . . . . 89 ARG QD . 6812 1 914 . 1 1 89 89 ARG C C 13 176.80 0.20 . 1 . . . . 89 ARG C . 6812 1 915 . 1 1 89 89 ARG CA C 13 55.53 0.20 . 1 . . . . 89 ARG CA . 6812 1 916 . 1 1 89 89 ARG CB C 13 36.65 0.20 . 1 . . . . 89 ARG CB . 6812 1 917 . 1 1 89 89 ARG CG C 13 25.11 0.20 . 1 . . . . 89 ARG CG . 6812 1 918 . 1 1 89 89 ARG CD C 13 41.09 0.20 . 1 . . . . 89 ARG CD . 6812 1 919 . 1 1 89 89 ARG N N 15 120.73 0.20 . 1 . . . . 89 ARG N . 6812 1 920 . 1 1 90 90 LEU H H 1 9.04 0.02 . 1 . . . . 90 LEU H . 6812 1 921 . 1 1 90 90 LEU HA H 1 4.38 0.02 . 1 . . . . 90 LEU HA . 6812 1 922 . 1 1 90 90 LEU HB2 H 1 1.56 0.02 . 1 . . . . 90 LEU QB . 6812 1 923 . 1 1 90 90 LEU HB3 H 1 1.56 0.02 . 1 . . . . 90 LEU QB . 6812 1 924 . 1 1 90 90 LEU HG H 1 1.57 0.02 . 1 . . . . 90 LEU HG . 6812 1 925 . 1 1 90 90 LEU HD11 H 1 0.60 0.02 . 2 . . . . 90 LEU HD1 . 6812 1 926 . 1 1 90 90 LEU HD12 H 1 0.60 0.02 . 2 . . . . 90 LEU HD1 . 6812 1 927 . 1 1 90 90 LEU HD13 H 1 0.60 0.02 . 2 . . . . 90 LEU HD1 . 6812 1 928 . 1 1 90 90 LEU HD21 H 1 0.77 0.02 . 2 . . . . 90 LEU HD2 . 6812 1 929 . 1 1 90 90 LEU HD22 H 1 0.77 0.02 . 2 . . . . 90 LEU HD2 . 6812 1 930 . 1 1 90 90 LEU HD23 H 1 0.77 0.02 . 2 . . . . 90 LEU HD2 . 6812 1 931 . 1 1 90 90 LEU C C 13 179.90 0.20 . 1 . . . . 90 LEU C . 6812 1 932 . 1 1 90 90 LEU CA C 13 52.83 0.20 . 1 . . . . 90 LEU CA . 6812 1 933 . 1 1 90 90 LEU CB C 13 41.06 0.20 . 1 . . . . 90 LEU CB . 6812 1 934 . 1 1 90 90 LEU CG C 13 23.26 0.20 . 1 . . . . 90 LEU CG . 6812 1 935 . 1 1 90 90 LEU CD1 C 13 22.70 0.20 . 1 . . . . 90 LEU CD1 . 6812 1 936 . 1 1 90 90 LEU N N 15 121.11 0.20 . 1 . . . . 90 LEU N . 6812 1 937 . 1 1 91 91 ARG H H 1 9.29 0.02 . 1 . . . . 91 ARG H . 6812 1 938 . 1 1 91 91 ARG HA H 1 4.26 0.02 . 1 . . . . 91 ARG HA . 6812 1 939 . 1 1 91 91 ARG HB2 H 1 1.87 0.02 . 1 . . . . 91 ARG QB . 6812 1 940 . 1 1 91 91 ARG HB3 H 1 1.87 0.02 . 1 . . . . 91 ARG QB . 6812 1 941 . 1 1 91 91 ARG HG2 H 1 1.71 0.02 . 1 . . . . 91 ARG QG . 6812 1 942 . 1 1 91 91 ARG HG3 H 1 1.71 0.02 . 1 . . . . 91 ARG QG . 6812 1 943 . 1 1 91 91 ARG HD2 H 1 3.11 0.02 . 1 . . . . 91 ARG QD . 6812 1 944 . 1 1 91 91 ARG HD3 H 1 3.11 0.02 . 1 . . . . 91 ARG QD . 6812 1 945 . 1 1 91 91 ARG C C 13 177.00 0.20 . 1 . . . . 91 ARG C . 6812 1 946 . 1 1 91 91 ARG CA C 13 53.74 0.20 . 1 . . . . 91 ARG CA . 6812 1 947 . 1 1 91 91 ARG CB C 13 32.34 0.20 . 1 . . . . 91 ARG CB . 6812 1 948 . 1 1 91 91 ARG CG C 13 25.56 0.20 . 1 . . . . 91 ARG CG . 6812 1 949 . 1 1 91 91 ARG CD C 13 40.94 0.20 . 1 . . . . 91 ARG CD . 6812 1 950 . 1 1 91 91 ARG N N 15 125.10 0.20 . 1 . . . . 91 ARG N . 6812 1 951 . 1 1 92 92 PHE H H 1 9.21 0.02 . 1 . . . . 92 PHE H . 6812 1 952 . 1 1 92 92 PHE HA H 1 4.66 0.02 . 1 . . . . 92 PHE HA . 6812 1 953 . 1 1 92 92 PHE HB2 H 1 3.02 0.02 . 1 . . . . 92 PHE QB . 6812 1 954 . 1 1 92 92 PHE HB3 H 1 3.02 0.02 . 1 . . . . 92 PHE QB . 6812 1 955 . 1 1 92 92 PHE C C 13 172.90 0.20 . 1 . . . . 92 PHE C . 6812 1 956 . 1 1 92 92 PHE CA C 13 61.18 0.20 . 1 . . . . 92 PHE CA . 6812 1 957 . 1 1 92 92 PHE CB C 13 37.36 0.20 . 1 . . . . 92 PHE CB . 6812 1 958 . 1 1 92 92 PHE N N 15 124.93 0.20 . 1 . . . . 92 PHE N . 6812 1 959 . 1 1 93 93 TYR H H 1 8.03 0.02 . 1 . . . . 93 TYR H . 6812 1 960 . 1 1 93 93 TYR HA H 1 4.86 0.02 . 1 . . . . 93 TYR HA . 6812 1 961 . 1 1 93 93 TYR HB2 H 1 2.89 0.02 . 1 . . . . 93 TYR QB . 6812 1 962 . 1 1 93 93 TYR HB3 H 1 2.89 0.02 . 1 . . . . 93 TYR QB . 6812 1 963 . 1 1 93 93 TYR C C 13 172.64 0.20 . 1 . . . . 93 TYR C . 6812 1 964 . 1 1 93 93 TYR CA C 13 54.95 0.20 . 1 . . . . 93 TYR CA . 6812 1 965 . 1 1 93 93 TYR CB C 13 38.67 0.20 . 1 . . . . 93 TYR CB . 6812 1 966 . 1 1 93 93 TYR N N 15 121.96 0.20 . 1 . . . . 93 TYR N . 6812 1 967 . 1 1 94 94 VAL H H 1 7.17 0.02 . 1 . . . . 94 VAL H . 6812 1 968 . 1 1 94 94 VAL HB H 1 2.05 0.02 . 1 . . . . 94 VAL HB . 6812 1 969 . 1 1 94 94 VAL HG11 H 1 0.87 0.02 . 2 . . . . 94 VAL HG1 . 6812 1 970 . 1 1 94 94 VAL HG12 H 1 0.87 0.02 . 2 . . . . 94 VAL HG1 . 6812 1 971 . 1 1 94 94 VAL HG13 H 1 0.87 0.02 . 2 . . . . 94 VAL HG1 . 6812 1 972 . 1 1 94 94 VAL HG21 H 1 0.85 0.02 . 2 . . . . 94 VAL HG2 . 6812 1 973 . 1 1 94 94 VAL HG22 H 1 0.85 0.02 . 2 . . . . 94 VAL HG2 . 6812 1 974 . 1 1 94 94 VAL HG23 H 1 0.85 0.02 . 2 . . . . 94 VAL HG2 . 6812 1 975 . 1 1 94 94 VAL C C 13 172.56 0.20 . 1 . . . . 94 VAL C . 6812 1 976 . 1 1 94 94 VAL CA C 13 58.05 0.20 . 1 . . . . 94 VAL CA . 6812 1 977 . 1 1 94 94 VAL CB C 13 35.50 0.20 . 1 . . . . 94 VAL CB . 6812 1 978 . 1 1 94 94 VAL N N 15 118.16 0.20 . 1 . . . . 94 VAL N . 6812 1 979 . 1 1 95 95 LYS H H 1 8.44 0.02 . 1 . . . . 95 LYS H . 6812 1 980 . 1 1 95 95 LYS HA H 1 4.61 0.02 . 1 . . . . 95 LYS HA . 6812 1 981 . 1 1 95 95 LYS HB2 H 1 1.83 0.02 . 1 . . . . 95 LYS QB . 6812 1 982 . 1 1 95 95 LYS HB3 H 1 1.83 0.02 . 1 . . . . 95 LYS QB . 6812 1 983 . 1 1 95 95 LYS HG2 H 1 1.45 0.02 . 1 . . . . 95 LYS QG . 6812 1 984 . 1 1 95 95 LYS HG3 H 1 1.45 0.02 . 1 . . . . 95 LYS QG . 6812 1 985 . 1 1 95 95 LYS HD2 H 1 1.63 0.02 . 1 . . . . 95 LYS QD . 6812 1 986 . 1 1 95 95 LYS HD3 H 1 1.63 0.02 . 1 . . . . 95 LYS QD . 6812 1 987 . 1 1 95 95 LYS HE2 H 1 2.83 0.02 . 2 . . . . 95 LYS HE2 . 6812 1 988 . 1 1 95 95 LYS HE3 H 1 2.86 0.02 . 2 . . . . 95 LYS HE3 . 6812 1 989 . 1 1 95 95 LYS C C 13 174.92 0.20 . 1 . . . . 95 LYS C . 6812 1 990 . 1 1 95 95 LYS CA C 13 54.90 0.20 . 1 . . . . 95 LYS CA . 6812 1 991 . 1 1 95 95 LYS CB C 13 36.43 0.20 . 1 . . . . 95 LYS CB . 6812 1 992 . 1 1 95 95 LYS CG C 13 23.30 0.20 . 1 . . . . 95 LYS CG . 6812 1 993 . 1 1 95 95 LYS CD C 13 26.38 0.20 . 1 . . . . 95 LYS CD . 6812 1 994 . 1 1 95 95 LYS CE C 13 39.03 0.20 . 1 . . . . 95 LYS CE . 6812 1 995 . 1 1 95 95 LYS N N 15 127.93 0.20 . 1 . . . . 95 LYS N . 6812 1 996 . 1 1 96 96 PHE H H 1 8.61 0.02 . 1 . . . . 96 PHE H . 6812 1 997 . 1 1 96 96 PHE HA H 1 4.65 0.02 . 1 . . . . 96 PHE HA . 6812 1 998 . 1 1 96 96 PHE HB2 H 1 2.93 0.02 . 1 . . . . 96 PHE QB . 6812 1 999 . 1 1 96 96 PHE HB3 H 1 2.93 0.02 . 1 . . . . 96 PHE QB . 6812 1 1000 . 1 1 96 96 PHE C C 13 174.84 0.20 . 1 . . . . 96 PHE C . 6812 1 1001 . 1 1 96 96 PHE CA C 13 53.07 0.20 . 1 . . . . 96 PHE CA . 6812 1 1002 . 1 1 96 96 PHE CB C 13 39.41 0.20 . 1 . . . . 96 PHE CB . 6812 1 1003 . 1 1 96 96 PHE N N 15 123.94 0.20 . 1 . . . . 96 PHE N . 6812 1 1004 . 1 1 97 97 GLY H H 1 7.84 0.02 . 1 . . . . 97 GLY H . 6812 1 1005 . 1 1 97 97 GLY HA2 H 1 4.09 0.02 . 2 . . . . 97 GLY HA2 . 6812 1 1006 . 1 1 97 97 GLY HA3 H 1 4.06 0.02 . 2 . . . . 97 GLY HA3 . 6812 1 1007 . 1 1 97 97 GLY C C 13 170.92 0.20 . 1 . . . . 97 GLY C . 6812 1 1008 . 1 1 97 97 GLY CA C 13 42.52 0.20 . 1 . . . . 97 GLY CA . 6812 1 1009 . 1 1 97 97 GLY N N 15 107.77 0.20 . 1 . . . . 97 GLY N . 6812 1 1010 . 1 1 99 99 GLY H H 1 8.50 0.02 . 1 . . . . 99 GLY H . 6812 1 1011 . 1 1 99 99 GLY HA2 H 1 3.97 0.02 . 2 . . . . 99 GLY HA2 . 6812 1 1012 . 1 1 99 99 GLY HA3 H 1 3.94 0.02 . 2 . . . . 99 GLY HA3 . 6812 1 1013 . 1 1 99 99 GLY C C 13 172.03 0.20 . 1 . . . . 99 GLY C . 6812 1 1014 . 1 1 99 99 GLY CA C 13 43.31 0.20 . 1 . . . . 99 GLY CA . 6812 1 1015 . 1 1 99 99 GLY N N 15 110.89 0.20 . 1 . . . . 99 GLY N . 6812 1 1016 . 1 1 100 100 ALA H H 1 8.75 0.02 . 1 . . . . 100 ALA H . 6812 1 1017 . 1 1 100 100 ALA HA H 1 4.53 0.02 . 1 . . . . 100 ALA HA . 6812 1 1018 . 1 1 100 100 ALA HB1 H 1 1.37 0.02 . 1 . . . . 100 ALA QB . 6812 1 1019 . 1 1 100 100 ALA HB2 H 1 1.37 0.02 . 1 . . . . 100 ALA QB . 6812 1 1020 . 1 1 100 100 ALA HB3 H 1 1.37 0.02 . 1 . . . . 100 ALA QB . 6812 1 1021 . 1 1 100 100 ALA C C 13 174.69 0.20 . 1 . . . . 100 ALA C . 6812 1 1022 . 1 1 100 100 ALA CA C 13 49.73 0.20 . 1 . . . . 100 ALA CA . 6812 1 1023 . 1 1 100 100 ALA CB C 13 18.01 0.20 . 1 . . . . 100 ALA CB . 6812 1 1024 . 1 1 100 100 ALA N N 15 128.70 0.20 . 1 . . . . 100 ALA N . 6812 1 1025 . 1 1 101 101 VAL H H 1 7.94 0.02 . 1 . . . . 101 VAL H . 6812 1 1026 . 1 1 101 101 VAL HA H 1 4.46 0.02 . 1 . . . . 101 VAL HA . 6812 1 1027 . 1 1 101 101 VAL HB H 1 1.87 0.02 . 1 . . . . 101 VAL HB . 6812 1 1028 . 1 1 101 101 VAL HG11 H 1 0.85 0.02 . 1 . . . . 101 VAL HG1 . 6812 1 1029 . 1 1 101 101 VAL HG12 H 1 0.85 0.02 . 1 . . . . 101 VAL HG1 . 6812 1 1030 . 1 1 101 101 VAL HG13 H 1 0.85 0.02 . 1 . . . . 101 VAL HG1 . 6812 1 1031 . 1 1 101 101 VAL HG21 H 1 0.85 0.02 . 1 . . . . 101 VAL HG2 . 6812 1 1032 . 1 1 101 101 VAL HG22 H 1 0.85 0.02 . 1 . . . . 101 VAL HG2 . 6812 1 1033 . 1 1 101 101 VAL HG23 H 1 0.85 0.02 . 1 . . . . 101 VAL HG2 . 6812 1 1034 . 1 1 101 101 VAL CA C 13 58.98 0.20 . 1 . . . . 101 VAL CA . 6812 1 1035 . 1 1 101 101 VAL CB C 13 31.40 0.20 . 1 . . . . 101 VAL CB . 6812 1 1036 . 1 1 101 101 VAL N N 15 126.30 0.20 . 1 . . . . 101 VAL N . 6812 1 1037 . 1 1 102 102 ILE H H 1 8.62 0.02 . 1 . . . . 102 ILE H . 6812 1 1038 . 1 1 102 102 ILE HA H 1 5.00 0.02 . 1 . . . . 102 ILE HA . 6812 1 1039 . 1 1 102 102 ILE HB H 1 1.66 0.02 . 1 . . . . 102 ILE HB . 6812 1 1040 . 1 1 102 102 ILE HG12 H 1 0.69 0.02 . 2 . . . . 102 ILE HG1 . 6812 1 1041 . 1 1 102 102 ILE HG13 H 1 0.69 0.02 . 2 . . . . 102 ILE HG1 . 6812 1 1042 . 1 1 102 102 ILE HG21 H 1 0.69 0.02 . 1 . . . . 102 ILE HG2 . 6812 1 1043 . 1 1 102 102 ILE HG22 H 1 0.69 0.02 . 1 . . . . 102 ILE HG2 . 6812 1 1044 . 1 1 102 102 ILE HG23 H 1 0.69 0.02 . 1 . . . . 102 ILE HG2 . 6812 1 1045 . 1 1 102 102 ILE C C 13 172.80 0.20 . 1 . . . . 102 ILE C . 6812 1 1046 . 1 1 102 102 ILE CA C 13 57.86 0.20 . 1 . . . . 102 ILE CA . 6812 1 1047 . 1 1 102 102 ILE CB C 13 38.16 0.20 . 1 . . . . 102 ILE CB . 6812 1 1048 . 1 1 102 102 ILE CG2 C 13 16.95 0.20 . 1 . . . . 102 ILE CG2 . 6812 1 1049 . 1 1 102 102 ILE N N 15 127.04 0.20 . 1 . . . . 102 ILE N . 6812 1 1050 . 1 1 103 103 LYS H H 1 7.70 0.02 . 1 . . . . 103 LYS H . 6812 1 1051 . 1 1 103 103 LYS HA H 1 4.55 0.02 . 1 . . . . 103 LYS HA . 6812 1 1052 . 1 1 103 103 LYS HB2 H 1 1.73 0.02 . 2 . . . . 103 LYS HB2 . 6812 1 1053 . 1 1 103 103 LYS HB3 H 1 1.69 0.02 . 2 . . . . 103 LYS HB3 . 6812 1 1054 . 1 1 103 103 LYS HG2 H 1 1.25 0.02 . 1 . . . . 103 LYS QG . 6812 1 1055 . 1 1 103 103 LYS HG3 H 1 1.25 0.02 . 1 . . . . 103 LYS QG . 6812 1 1056 . 1 1 103 103 LYS HD2 H 1 1.53 0.02 . 1 . . . . 103 LYS QD . 6812 1 1057 . 1 1 103 103 LYS HD3 H 1 1.53 0.02 . 1 . . . . 103 LYS QD . 6812 1 1058 . 1 1 103 103 LYS HE2 H 1 2.68 0.02 . 1 . . . . 103 LYS QE . 6812 1 1059 . 1 1 103 103 LYS HE3 H 1 2.68 0.02 . 1 . . . . 103 LYS QE . 6812 1 1060 . 1 1 103 103 LYS C C 13 173.64 0.20 . 1 . . . . 103 LYS C . 6812 1 1061 . 1 1 103 103 LYS CA C 13 53.06 0.20 . 1 . . . . 103 LYS CA . 6812 1 1062 . 1 1 103 103 LYS CB C 13 30.30 0.20 . 1 . . . . 103 LYS CB . 6812 1 1063 . 1 1 103 103 LYS CG C 13 22.75 0.20 . 1 . . . . 103 LYS CG . 6812 1 1064 . 1 1 103 103 LYS CD C 13 26.90 0.20 . 1 . . . . 103 LYS CD . 6812 1 1065 . 1 1 103 103 LYS CE C 13 38.94 0.20 . 1 . . . . 103 LYS CE . 6812 1 1066 . 1 1 103 103 LYS N N 15 116.37 0.20 . 1 . . . . 103 LYS N . 6812 1 1067 . 1 1 104 104 GLU H H 1 8.48 0.02 . 1 . . . . 104 GLU H . 6812 1 1068 . 1 1 104 104 GLU HA H 1 4.40 0.02 . 1 . . . . 104 GLU HA . 6812 1 1069 . 1 1 104 104 GLU HB2 H 1 2.04 0.02 . 1 . . . . 104 GLU QB . 6812 1 1070 . 1 1 104 104 GLU HB3 H 1 2.04 0.02 . 1 . . . . 104 GLU QB . 6812 1 1071 . 1 1 104 104 GLU HG2 H 1 2.25 0.02 . 1 . . . . 104 GLU QG . 6812 1 1072 . 1 1 104 104 GLU HG3 H 1 2.25 0.02 . 1 . . . . 104 GLU QG . 6812 1 1073 . 1 1 104 104 GLU C C 13 176.80 0.20 . 1 . . . . 104 GLU C . 6812 1 1074 . 1 1 104 104 GLU CA C 13 54.49 0.20 . 1 . . . . 104 GLU CA . 6812 1 1075 . 1 1 104 104 GLU CB C 13 28.35 0.20 . 1 . . . . 104 GLU CB . 6812 1 1076 . 1 1 104 104 GLU CG C 13 33.59 0.20 . 1 . . . . 104 GLU CG . 6812 1 1077 . 1 1 104 104 GLU N N 15 116.98 0.20 . 1 . . . . 104 GLU N . 6812 1 1078 . 1 1 105 105 PHE H H 1 7.90 0.02 . 1 . . . . 105 PHE H . 6812 1 1079 . 1 1 105 105 PHE HA H 1 4.57 0.02 . 1 . . . . 105 PHE HA . 6812 1 1080 . 1 1 105 105 PHE HB2 H 1 3.16 0.02 . 2 . . . . 105 PHE HB2 . 6812 1 1081 . 1 1 105 105 PHE HB3 H 1 3.11 0.02 . 2 . . . . 105 PHE HB3 . 6812 1 1082 . 1 1 105 105 PHE C C 13 179.30 0.20 . 1 . . . . 105 PHE C . 6812 1 1083 . 1 1 105 105 PHE CA C 13 54.34 0.20 . 1 . . . . 105 PHE CA . 6812 1 1084 . 1 1 105 105 PHE CB C 13 45.39 0.20 . 1 . . . . 105 PHE CB . 6812 1 1085 . 1 1 105 105 PHE N N 15 121.48 0.20 . 1 . . . . 105 PHE N . 6812 1 1086 . 1 1 106 106 LYS H H 1 8.97 0.02 . 1 . . . . 106 LYS H . 6812 1 1087 . 1 1 106 106 LYS HA H 1 4.11 0.02 . 1 . . . . 106 LYS HA . 6812 1 1088 . 1 1 106 106 LYS HB2 H 1 1.82 0.02 . 1 . . . . 106 LYS QB . 6812 1 1089 . 1 1 106 106 LYS HB3 H 1 1.82 0.02 . 1 . . . . 106 LYS QB . 6812 1 1090 . 1 1 106 106 LYS HG2 H 1 1.41 0.02 . 1 . . . . 106 LYS QG . 6812 1 1091 . 1 1 106 106 LYS HG3 H 1 1.41 0.02 . 1 . . . . 106 LYS QG . 6812 1 1092 . 1 1 106 106 LYS HD2 H 1 1.60 0.02 . 1 . . . . 106 LYS QD . 6812 1 1093 . 1 1 106 106 LYS HD3 H 1 1.60 0.02 . 1 . . . . 106 LYS QD . 6812 1 1094 . 1 1 106 106 LYS HE2 H 1 2.97 0.02 . 1 . . . . 106 LYS QE . 6812 1 1095 . 1 1 106 106 LYS HE3 H 1 2.97 0.02 . 1 . . . . 106 LYS QE . 6812 1 1096 . 1 1 106 106 LYS C C 13 177.20 0.20 . 1 . . . . 106 LYS C . 6812 1 1097 . 1 1 106 106 LYS CA C 13 54.58 0.20 . 1 . . . . 106 LYS CA . 6812 1 1098 . 1 1 106 106 LYS CB C 13 35.63 0.20 . 1 . . . . 106 LYS CB . 6812 1 1099 . 1 1 106 106 LYS CG C 13 22.71 0.20 . 1 . . . . 106 LYS CG . 6812 1 1100 . 1 1 106 106 LYS CD C 13 26.47 0.20 . 1 . . . . 106 LYS CD . 6812 1 1101 . 1 1 106 106 LYS CE C 13 39.20 0.20 . 1 . . . . 106 LYS CE . 6812 1 1102 . 1 1 106 106 LYS N N 15 124.40 0.20 . 1 . . . . 106 LYS N . 6812 1 1103 . 1 1 107 107 ILE H H 1 8.88 0.02 . 1 . . . . 107 ILE H . 6812 1 1104 . 1 1 107 107 ILE HA H 1 3.94 0.02 . 1 . . . . 107 ILE HA . 6812 1 1105 . 1 1 107 107 ILE HB H 1 1.94 0.02 . 1 . . . . 107 ILE HB . 6812 1 1106 . 1 1 107 107 ILE HG12 H 1 1.38 0.02 . 1 . . . . 107 ILE QG1 . 6812 1 1107 . 1 1 107 107 ILE HG13 H 1 1.38 0.02 . 1 . . . . 107 ILE QG1 . 6812 1 1108 . 1 1 107 107 ILE HG21 H 1 0.79 0.02 . 1 . . . . 107 ILE QG2 . 6812 1 1109 . 1 1 107 107 ILE HG22 H 1 0.79 0.02 . 1 . . . . 107 ILE QG2 . 6812 1 1110 . 1 1 107 107 ILE HG23 H 1 0.79 0.02 . 1 . . . . 107 ILE QG2 . 6812 1 1111 . 1 1 107 107 ILE HD11 H 1 0.76 0.02 . 1 . . . . 107 ILE QD1 . 6812 1 1112 . 1 1 107 107 ILE HD12 H 1 0.76 0.02 . 1 . . . . 107 ILE QD1 . 6812 1 1113 . 1 1 107 107 ILE HD13 H 1 0.76 0.02 . 1 . . . . 107 ILE QD1 . 6812 1 1114 . 1 1 107 107 ILE C C 13 174.40 0.20 . 1 . . . . 107 ILE C . 6812 1 1115 . 1 1 107 107 ILE CA C 13 61.36 0.20 . 1 . . . . 107 ILE CA . 6812 1 1116 . 1 1 107 107 ILE CB C 13 37.22 0.20 . 1 . . . . 107 ILE CB . 6812 1 1117 . 1 1 107 107 ILE CG1 C 13 24.21 0.20 . 1 . . . . 107 ILE CG1 . 6812 1 1118 . 1 1 107 107 ILE CG2 C 13 17.21 0.20 . 1 . . . . 107 ILE CG2 . 6812 1 1119 . 1 1 107 107 ILE CD1 C 13 12.55 0.20 . 1 . . . . 107 ILE CD1 . 6812 1 1120 . 1 1 107 107 ILE N N 15 126.60 0.20 . 1 . . . . 107 ILE N . 6812 1 1121 . 1 1 108 108 THR H H 1 8.98 0.02 . 1 . . . . 108 THR H . 6812 1 1122 . 1 1 108 108 THR HA H 1 4.45 0.02 . 1 . . . . 108 THR HA . 6812 1 1123 . 1 1 108 108 THR HB H 1 4.11 0.02 . 1 . . . . 108 THR HB . 6812 1 1124 . 1 1 108 108 THR HG21 H 1 1.07 0.02 . 2 . . . . 108 THR QG2 . 6812 1 1125 . 1 1 108 108 THR HG22 H 1 1.07 0.02 . 2 . . . . 108 THR QG2 . 6812 1 1126 . 1 1 108 108 THR HG23 H 1 1.07 0.02 . 2 . . . . 108 THR QG2 . 6812 1 1127 . 1 1 108 108 THR C C 13 173.06 0.20 . 1 . . . . 108 THR C . 6812 1 1128 . 1 1 108 108 THR CA C 13 61.91 0.20 . 1 . . . . 108 THR CA . 6812 1 1129 . 1 1 108 108 THR CB C 13 69.11 0.20 . 1 . . . . 108 THR CB . 6812 1 1130 . 1 1 108 108 THR CG2 C 13 19.88 0.20 . 1 . . . . 108 THR CG2 . 6812 1 1131 . 1 1 108 108 THR N N 15 122.50 0.20 . 1 . . . . 108 THR N . 6812 1 1132 . 1 1 109 109 ASP H H 1 8.30 0.02 . 1 . . . . 109 ASP H . 6812 1 1133 . 1 1 109 109 ASP HB2 H 1 2.66 0.02 . 1 . . . . 109 ASP QB . 6812 1 1134 . 1 1 109 109 ASP HB3 H 1 2.66 0.02 . 1 . . . . 109 ASP QB . 6812 1 1135 . 1 1 109 109 ASP CA C 13 53.06 0.20 . 1 . . . . 109 ASP CA . 6812 1 1136 . 1 1 109 109 ASP CB C 13 39.18 0.20 . 1 . . . . 109 ASP CB . 6812 1 1137 . 1 1 109 109 ASP N N 15 119.35 0.20 . 1 . . . . 109 ASP N . 6812 1 stop_ save_