data_6854 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6854 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the first SH3 domain of Nck2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-07 _Entry.Accession_date 2005-10-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sunghyouk Park . . . 6854 2 Koh Takeuchi . . . 6854 3 Gerhard Wagner . . . 6854 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6854 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 6854 '15N chemical shifts' 67 6854 '1H chemical shifts' 408 6854 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 . . 2006-05-03 2005-10-07 update author 'add the chemical shift references of carbon and nitrogen' 6854 1 . . 2006-05-02 2005-10-07 original author 'original release' 6854 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6854 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16604428 _Citation.Full_citation . _Citation.Title 'Solution structure of the first Src Homology 3 domain of Nck2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 203 _Citation.Page_last 208 _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 Sunghyouk Park . . . 6854 1 2 Koh Takeuchi . . . 6854 1 3 Gerhard Wagner . . . 6854 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6854 _Assembly.ID 1 _Assembly.Name 'the first SH3 domain of Nck' _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 'not present' _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 'the first SH3 domain of Nck' 1 $Nck_SH3_domain_(1st) . . yes native no no . . . 6854 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nck_SH3_domain_(1st) _Entity.Sf_category entity _Entity.Sf_framecode Nck_SH3_domain_(1st) _Entity.Entry_ID 6854 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nck SH3 domain (1st)' _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 ; MTEEVIVIAKWDYTAQQDQE LDIKKNERLWLLDDSKTWWR VRNAANRTGYVPSNYVERK ; _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2B86 . "Solution Structure Of The First Src Homology 3 Domain Of Nck2" . . . . . 100.00 67 100.00 100.00 2.33e-34 . . . . 6854 1 2 no PDB 2JXB . "Structure Of Cd3epsilon-Nck2 First Sh3 Domain Complex" . . . . . 100.00 86 100.00 100.00 6.06e-34 . . . . 6854 1 3 no GB AAY14937 . "unknown [Homo sapiens]" . . . . . 100.00 75 100.00 100.00 5.93e-34 . . . . 6854 1 4 no GB EPQ18600 . "Cytoplasmic protein NCK2 [Myotis brandtii]" . . . . . 100.00 94 100.00 100.00 4.15e-34 . . . . 6854 1 5 no GB EPY89463 . "hypothetical protein CB1_000109005 [Camelus ferus]" . . . . . 100.00 263 98.31 100.00 1.87e-32 . . . . 6854 1 6 no REF NP_001004722 . "cytoplasmic protein NCK2 isoform B [Homo sapiens]" . . . . . 100.00 83 100.00 100.00 5.71e-34 . . . . 6854 1 7 no REF XP_001516770 . "PREDICTED: cytoplasmic protein NCK2-like, partial [Ornithorhynchus anatinus]" . . . . . 100.00 75 100.00 100.00 5.93e-34 . . . . 6854 1 8 no REF XP_005037783 . "PREDICTED: cytoplasmic protein NCK2-like [Ficedula albicollis]" . . . . . 100.00 95 98.31 100.00 6.80e-34 . . . . 6854 1 9 no REF XP_005276048 . "PREDICTED: cytoplasmic protein NCK2-like [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.69e-34 . . . . 6854 1 10 no REF XP_005575245 . "PREDICTED: cytoplasmic protein NCK2 isoform X4 [Macaca fascicularis]" . . . . . 100.00 85 100.00 100.00 4.80e-34 . . . . 6854 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 . 6854 1 2 . THR . 6854 1 3 . GLU . 6854 1 4 . GLU . 6854 1 5 . VAL . 6854 1 6 . ILE . 6854 1 7 . VAL . 6854 1 8 . ILE . 6854 1 9 . ALA . 6854 1 10 . LYS . 6854 1 11 . TRP . 6854 1 12 . ASP . 6854 1 13 . TYR . 6854 1 14 . THR . 6854 1 15 . ALA . 6854 1 16 . GLN . 6854 1 17 . GLN . 6854 1 18 . ASP . 6854 1 19 . GLN . 6854 1 20 . GLU . 6854 1 21 . LEU . 6854 1 22 . ASP . 6854 1 23 . ILE . 6854 1 24 . LYS . 6854 1 25 . LYS . 6854 1 26 . ASN . 6854 1 27 . GLU . 6854 1 28 . ARG . 6854 1 29 . LEU . 6854 1 30 . TRP . 6854 1 31 . LEU . 6854 1 32 . LEU . 6854 1 33 . ASP . 6854 1 34 . ASP . 6854 1 35 . SER . 6854 1 36 . LYS . 6854 1 37 . THR . 6854 1 38 . TRP . 6854 1 39 . TRP . 6854 1 40 . ARG . 6854 1 41 . VAL . 6854 1 42 . ARG . 6854 1 43 . ASN . 6854 1 44 . ALA . 6854 1 45 . ALA . 6854 1 46 . ASN . 6854 1 47 . ARG . 6854 1 48 . THR . 6854 1 49 . GLY . 6854 1 50 . TYR . 6854 1 51 . VAL . 6854 1 52 . PRO . 6854 1 53 . SER . 6854 1 54 . ASN . 6854 1 55 . TYR . 6854 1 56 . VAL . 6854 1 57 . GLU . 6854 1 58 . ARG . 6854 1 59 . LYS . 6854 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 6854 1 . THR 2 2 6854 1 . GLU 3 3 6854 1 . GLU 4 4 6854 1 . VAL 5 5 6854 1 . ILE 6 6 6854 1 . VAL 7 7 6854 1 . ILE 8 8 6854 1 . ALA 9 9 6854 1 . LYS 10 10 6854 1 . TRP 11 11 6854 1 . ASP 12 12 6854 1 . TYR 13 13 6854 1 . THR 14 14 6854 1 . ALA 15 15 6854 1 . GLN 16 16 6854 1 . GLN 17 17 6854 1 . ASP 18 18 6854 1 . GLN 19 19 6854 1 . GLU 20 20 6854 1 . LEU 21 21 6854 1 . ASP 22 22 6854 1 . ILE 23 23 6854 1 . LYS 24 24 6854 1 . LYS 25 25 6854 1 . ASN 26 26 6854 1 . GLU 27 27 6854 1 . ARG 28 28 6854 1 . LEU 29 29 6854 1 . TRP 30 30 6854 1 . LEU 31 31 6854 1 . LEU 32 32 6854 1 . ASP 33 33 6854 1 . ASP 34 34 6854 1 . SER 35 35 6854 1 . LYS 36 36 6854 1 . THR 37 37 6854 1 . TRP 38 38 6854 1 . TRP 39 39 6854 1 . ARG 40 40 6854 1 . VAL 41 41 6854 1 . ARG 42 42 6854 1 . ASN 43 43 6854 1 . ALA 44 44 6854 1 . ALA 45 45 6854 1 . ASN 46 46 6854 1 . ARG 47 47 6854 1 . THR 48 48 6854 1 . GLY 49 49 6854 1 . TYR 50 50 6854 1 . VAL 51 51 6854 1 . PRO 52 52 6854 1 . SER 53 53 6854 1 . ASN 54 54 6854 1 . TYR 55 55 6854 1 . VAL 56 56 6854 1 . GLU 57 57 6854 1 . ARG 58 58 6854 1 . LYS 59 59 6854 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 6854 _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 $Nck_SH3_domain_(1st) . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6854 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 6854 _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 $Nck_SH3_domain_(1st) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6854 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6854 _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 'Nck SH3 domain (1st)' '[U-13C; U-15N]' . . 1 $Nck_SH3_domain_(1st) . . 0.6 . . mM . . . . 6854 1 2 'Sodium Phosphate' . . . . . . . 50 . . mM . . . . 6854 1 3 EDTA . . . . . . . 50 . . mM . . . . 6854 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 6854 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6854 1 temperature 298 1 K 6854 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_500 _NMR_spectrometer.Entry_ID 6854 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 6854 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6854 _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 . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 3 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 4 '13C edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 5 '15N edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 6 'HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 7 'D2O TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 8 'D2O NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 9 HCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 10 CCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6854 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_edited_NOESY _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '13C edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_edited_NOESY _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH_TOCSY _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_D2O_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode D2O_TOCSY _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'D2O TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_D2O_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode D2O_NOESY _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'D2O NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCONH _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCONH _NMR_spec_expt.Entry_ID 6854 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6854 _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 external indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 6854 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6854 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 6854 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 6854 _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 '1H15N HSQC' 1 $sample_1 isotropic 6854 1 2 HNCACB 1 $sample_1 isotropic 6854 1 3 CBCACONH 1 $sample_1 isotropic 6854 1 4 '13C edited NOESY' 1 $sample_1 isotropic 6854 1 5 '15N edited NOESY' 1 $sample_1 isotropic 6854 1 6 'HCCH TOCSY' 1 $sample_1 isotropic 6854 1 7 'D2O TOCSY' 1 $sample_1 isotropic 6854 1 8 'D2O NOESY' 1 $sample_1 isotropic 6854 1 9 HCCONH 1 $sample_1 isotropic 6854 1 10 CCONH 1 $sample_1 isotropic 6854 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 2 2 THR H H 1 8.176 0.020 . 1 . . . . 2 THR H . 6854 1 2 . 1 1 2 2 THR HA H 1 4.344 0.020 . 1 . . . . 2 THR HA . 6854 1 3 . 1 1 2 2 THR HB H 1 4.147 0.020 . 1 . . . . 2 THR HB . 6854 1 4 . 1 1 2 2 THR HG21 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1 5 . 1 1 2 2 THR HG22 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1 6 . 1 1 2 2 THR HG23 H 1 1.181 0.020 . 1 . . . . 2 THR HG2 . 6854 1 7 . 1 1 2 2 THR CA C 13 62.402 0.400 . 1 . . . . 2 THR CA . 6854 1 8 . 1 1 2 2 THR CB C 13 69.934 0.400 . 1 . . . . 2 THR CB . 6854 1 9 . 1 1 2 2 THR CG2 C 13 21.861 0.400 . 1 . . . . 2 THR CG2 . 6854 1 10 . 1 1 2 2 THR N N 15 119.938 0.400 . 1 . . . . 2 THR N . 6854 1 11 . 1 1 3 3 GLU H H 1 8.445 0.020 . 1 . . . . 3 GLU H . 6854 1 12 . 1 1 3 3 GLU HA H 1 4.342 0.020 . 1 . . . . 3 GLU HA . 6854 1 13 . 1 1 3 3 GLU HG2 H 1 2.242 0.020 . 1 . . . . 3 GLU HG2 . 6854 1 14 . 1 1 3 3 GLU HG3 H 1 2.242 0.020 . 1 . . . . 3 GLU HG3 . 6854 1 15 . 1 1 3 3 GLU CA C 13 56.536 0.400 . 1 . . . . 3 GLU CA . 6854 1 16 . 1 1 3 3 GLU CB C 13 30.924 0.400 . 1 . . . . 3 GLU CB . 6854 1 17 . 1 1 3 3 GLU CG C 13 36.350 0.400 . 1 . . . . 3 GLU CG . 6854 1 18 . 1 1 3 3 GLU N N 15 124.037 0.400 . 1 . . . . 3 GLU N . 6854 1 19 . 1 1 4 4 GLU H H 1 8.556 0.020 . 1 . . . . 4 GLU H . 6854 1 20 . 1 1 4 4 GLU HA H 1 4.468 0.020 . 1 . . . . 4 GLU HA . 6854 1 21 . 1 1 4 4 GLU HB3 H 1 2.025 0.020 . 2 . . . . 4 GLU HB3 . 6854 1 22 . 1 1 4 4 GLU HG2 H 1 2.311 0.020 . 2 . . . . 4 GLU HG2 . 6854 1 23 . 1 1 4 4 GLU HG3 H 1 2.265 0.020 . 2 . . . . 4 GLU HG3 . 6854 1 24 . 1 1 4 4 GLU CA C 13 56.763 0.400 . 1 . . . . 4 GLU CA . 6854 1 25 . 1 1 4 4 GLU CB C 13 31.040 0.400 . 1 . . . . 4 GLU CB . 6854 1 26 . 1 1 4 4 GLU CG C 13 36.720 0.400 . 1 . . . . 4 GLU CG . 6854 1 27 . 1 1 4 4 GLU N N 15 123.002 0.400 . 1 . . . . 4 GLU N . 6854 1 28 . 1 1 5 5 VAL H H 1 8.391 0.020 . 1 . . . . 5 VAL H . 6854 1 29 . 1 1 5 5 VAL HA H 1 4.229 0.020 . 1 . . . . 5 VAL HA . 6854 1 30 . 1 1 5 5 VAL HB H 1 2.073 0.020 . 1 . . . . 5 VAL HB . 6854 1 31 . 1 1 5 5 VAL HG11 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1 32 . 1 1 5 5 VAL HG12 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1 33 . 1 1 5 5 VAL HG13 H 1 0.901 0.020 . 1 . . . . 5 VAL HG1 . 6854 1 34 . 1 1 5 5 VAL HG21 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1 35 . 1 1 5 5 VAL HG22 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1 36 . 1 1 5 5 VAL HG23 H 1 0.852 0.020 . 1 . . . . 5 VAL HG2 . 6854 1 37 . 1 1 5 5 VAL CA C 13 62.093 0.400 . 1 . . . . 5 VAL CA . 6854 1 38 . 1 1 5 5 VAL CB C 13 34.087 0.400 . 1 . . . . 5 VAL CB . 6854 1 39 . 1 1 5 5 VAL CG1 C 13 20.841 0.400 . 1 . . . . 5 VAL CG1 . 6854 1 40 . 1 1 5 5 VAL CG2 C 13 21.647 0.400 . 1 . . . . 5 VAL CG2 . 6854 1 41 . 1 1 5 5 VAL N N 15 123.193 0.400 . 1 . . . . 5 VAL N . 6854 1 42 . 1 1 6 6 ILE H H 1 8.312 0.020 . 1 . . . . 6 ILE H . 6854 1 43 . 1 1 6 6 ILE HA H 1 4.553 0.020 . 1 . . . . 6 ILE HA . 6854 1 44 . 1 1 6 6 ILE HB H 1 1.604 0.020 . 1 . . . . 6 ILE HB . 6854 1 45 . 1 1 6 6 ILE HG12 H 1 0.635 0.020 . 2 . . . . 6 ILE HG12 . 6854 1 46 . 1 1 6 6 ILE HG13 H 1 1.189 0.020 . 2 . . . . 6 ILE HG13 . 6854 1 47 . 1 1 6 6 ILE HG21 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1 48 . 1 1 6 6 ILE HG22 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1 49 . 1 1 6 6 ILE HG23 H 1 0.536 0.020 . 1 . . . . 6 ILE HG2 . 6854 1 50 . 1 1 6 6 ILE HD11 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1 51 . 1 1 6 6 ILE HD12 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1 52 . 1 1 6 6 ILE HD13 H 1 0.303 0.020 . 1 . . . . 6 ILE HD1 . 6854 1 53 . 1 1 6 6 ILE CA C 13 59.630 0.400 . 1 . . . . 6 ILE CA . 6854 1 54 . 1 1 6 6 ILE CB C 13 38.657 0.400 . 1 . . . . 6 ILE CB . 6854 1 55 . 1 1 6 6 ILE CG1 C 13 27.801 0.400 . 1 . . . . 6 ILE CG1 . 6854 1 56 . 1 1 6 6 ILE CG2 C 13 17.738 0.400 . 1 . . . . 6 ILE CG2 . 6854 1 57 . 1 1 6 6 ILE CD1 C 13 11.369 0.400 . 1 . . . . 6 ILE CD1 . 6854 1 58 . 1 1 6 6 ILE N N 15 126.699 0.400 . 1 . . . . 6 ILE N . 6854 1 59 . 1 1 7 7 VAL H H 1 8.953 0.020 . 1 . . . . 7 VAL H . 6854 1 60 . 1 1 7 7 VAL HA H 1 4.946 0.020 . 1 . . . . 7 VAL HA . 6854 1 61 . 1 1 7 7 VAL HB H 1 1.946 0.020 . 1 . . . . 7 VAL HB . 6854 1 62 . 1 1 7 7 VAL HG11 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1 63 . 1 1 7 7 VAL HG12 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1 64 . 1 1 7 7 VAL HG13 H 1 0.706 0.020 . 1 . . . . 7 VAL HG1 . 6854 1 65 . 1 1 7 7 VAL HG21 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1 66 . 1 1 7 7 VAL HG22 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1 67 . 1 1 7 7 VAL HG23 H 1 0.902 0.020 . 1 . . . . 7 VAL HG2 . 6854 1 68 . 1 1 7 7 VAL CA C 13 58.408 0.400 . 1 . . . . 7 VAL CA . 6854 1 69 . 1 1 7 7 VAL CB C 13 35.424 0.400 . 1 . . . . 7 VAL CB . 6854 1 70 . 1 1 7 7 VAL CG1 C 13 19.911 0.400 . 1 . . . . 7 VAL CG1 . 6854 1 71 . 1 1 7 7 VAL CG2 C 13 23.473 0.400 . 1 . . . . 7 VAL CG2 . 6854 1 72 . 1 1 7 7 VAL N N 15 119.354 0.400 . 1 . . . . 7 VAL N . 6854 1 73 . 1 1 8 8 ILE H H 1 8.567 0.020 . 1 . . . . 8 ILE H . 6854 1 74 . 1 1 8 8 ILE HA H 1 5.013 0.020 . 1 . . . . 8 ILE HA . 6854 1 75 . 1 1 8 8 ILE HB H 1 1.588 0.020 . 1 . . . . 8 ILE HB . 6854 1 76 . 1 1 8 8 ILE HG12 H 1 1.296 0.020 . 2 . . . . 8 ILE HG12 . 6854 1 77 . 1 1 8 8 ILE HG13 H 1 1.027 0.020 . 2 . . . . 8 ILE HG13 . 6854 1 78 . 1 1 8 8 ILE HG21 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1 79 . 1 1 8 8 ILE HG22 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1 80 . 1 1 8 8 ILE HG23 H 1 0.702 0.020 . 1 . . . . 8 ILE HG2 . 6854 1 81 . 1 1 8 8 ILE HD11 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1 82 . 1 1 8 8 ILE HD12 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1 83 . 1 1 8 8 ILE HD13 H 1 0.667 0.020 . 1 . . . . 8 ILE HD1 . 6854 1 84 . 1 1 8 8 ILE CA C 13 58.353 0.400 . 1 . . . . 8 ILE CA . 6854 1 85 . 1 1 8 8 ILE CB C 13 40.609 0.400 . 1 . . . . 8 ILE CB . 6854 1 86 . 1 1 8 8 ILE CG1 C 13 28.097 0.400 . 1 . . . . 8 ILE CG1 . 6854 1 87 . 1 1 8 8 ILE CG2 C 13 17.544 0.400 . 1 . . . . 8 ILE CG2 . 6854 1 88 . 1 1 8 8 ILE CD1 C 13 12.386 0.400 . 1 . . . . 8 ILE CD1 . 6854 1 89 . 1 1 8 8 ILE N N 15 119.310 0.400 . 1 . . . . 8 ILE N . 6854 1 90 . 1 1 9 9 ALA H H 1 8.675 0.020 . 1 . . . . 9 ALA H . 6854 1 91 . 1 1 9 9 ALA HA H 1 4.529 0.020 . 1 . . . . 9 ALA HA . 6854 1 92 . 1 1 9 9 ALA HB1 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1 93 . 1 1 9 9 ALA HB2 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1 94 . 1 1 9 9 ALA HB3 H 1 1.569 0.020 . 1 . . . . 9 ALA HB . 6854 1 95 . 1 1 9 9 ALA CA C 13 52.991 0.400 . 1 . . . . 9 ALA CA . 6854 1 96 . 1 1 9 9 ALA CB C 13 20.014 0.400 . 1 . . . . 9 ALA CB . 6854 1 97 . 1 1 9 9 ALA N N 15 128.825 0.400 . 1 . . . . 9 ALA N . 6854 1 98 . 1 1 10 10 LYS H H 1 9.326 0.020 . 1 . . . . 10 LYS H . 6854 1 99 . 1 1 10 10 LYS HA H 1 3.688 0.020 . 1 . . . . 10 LYS HA . 6854 1 100 . 1 1 10 10 LYS HB2 H 1 0.424 0.020 . 1 . . . . 10 LYS HB2 . 6854 1 101 . 1 1 10 10 LYS HB3 H 1 0.424 0.020 . 1 . . . . 10 LYS HB3 . 6854 1 102 . 1 1 10 10 LYS HG2 H 1 0.660 0.020 . 2 . . . . 10 LYS HG2 . 6854 1 103 . 1 1 10 10 LYS HG3 H 1 0.730 0.020 . 2 . . . . 10 LYS HG3 . 6854 1 104 . 1 1 10 10 LYS HD2 H 1 0.660 0.020 . 2 . . . . 10 LYS HD2 . 6854 1 105 . 1 1 10 10 LYS HD3 H 1 0.730 0.020 . 2 . . . . 10 LYS HD3 . 6854 1 106 . 1 1 10 10 LYS HE2 H 1 2.226 0.020 . 1 . . . . 10 LYS HE2 . 6854 1 107 . 1 1 10 10 LYS HE3 H 1 2.226 0.020 . 1 . . . . 10 LYS HE3 . 6854 1 108 . 1 1 10 10 LYS CA C 13 58.153 0.400 . 1 . . . . 10 LYS CA . 6854 1 109 . 1 1 10 10 LYS CB C 13 33.579 0.400 . 1 . . . . 10 LYS CB . 6854 1 110 . 1 1 10 10 LYS CG C 13 24.993 0.400 . 1 . . . . 10 LYS CG . 6854 1 111 . 1 1 10 10 LYS CD C 13 29.280 0.400 . 1 . . . . 10 LYS CD . 6854 1 112 . 1 1 10 10 LYS CE C 13 41.772 0.400 . 1 . . . . 10 LYS CE . 6854 1 113 . 1 1 10 10 LYS N N 15 126.704 0.400 . 1 . . . . 10 LYS N . 6854 1 114 . 1 1 11 11 TRP H H 1 7.019 0.020 . 1 . . . . 11 TRP H . 6854 1 115 . 1 1 11 11 TRP HA H 1 4.865 0.020 . 1 . . . . 11 TRP HA . 6854 1 116 . 1 1 11 11 TRP HB2 H 1 3.419 0.020 . 2 . . . . 11 TRP HB2 . 6854 1 117 . 1 1 11 11 TRP HB3 H 1 2.826 0.020 . 2 . . . . 11 TRP HB3 . 6854 1 118 . 1 1 11 11 TRP HD1 H 1 7.080 0.020 . 1 . . . . 11 TRP HD1 . 6854 1 119 . 1 1 11 11 TRP HE1 H 1 9.896 0.020 . 1 . . . . 11 TRP HE1 . 6854 1 120 . 1 1 11 11 TRP HE3 H 1 6.326 0.020 . 1 . . . . 11 TRP HE3 . 6854 1 121 . 1 1 11 11 TRP HZ2 H 1 7.315 0.020 . 1 . . . . 11 TRP HZ2 . 6854 1 122 . 1 1 11 11 TRP HZ3 H 1 6.660 0.020 . 1 . . . . 11 TRP HZ3 . 6854 1 123 . 1 1 11 11 TRP HH2 H 1 6.990 0.020 . 1 . . . . 11 TRP HH2 . 6854 1 124 . 1 1 11 11 TRP CA C 13 55.095 0.400 . 1 . . . . 11 TRP CA . 6854 1 125 . 1 1 11 11 TRP CB C 13 33.987 0.400 . 1 . . . . 11 TRP CB . 6854 1 126 . 1 1 11 11 TRP N N 15 111.771 0.400 . 1 . . . . 11 TRP N . 6854 1 127 . 1 1 11 11 TRP NE1 N 15 129.067 0.400 . 1 . . . . 11 TRP NE1 . 6854 1 128 . 1 1 12 12 ASP H H 1 8.403 0.020 . 1 . . . . 12 ASP H . 6854 1 129 . 1 1 12 12 ASP HA H 1 4.763 0.020 . 1 . . . . 12 ASP HA . 6854 1 130 . 1 1 12 12 ASP HB2 H 1 2.864 0.020 . 2 . . . . 12 ASP HB2 . 6854 1 131 . 1 1 12 12 ASP HB3 H 1 2.649 0.020 . 2 . . . . 12 ASP HB3 . 6854 1 132 . 1 1 12 12 ASP CA C 13 55.029 0.400 . 1 . . . . 12 ASP CA . 6854 1 133 . 1 1 12 12 ASP CB C 13 41.904 0.400 . 1 . . . . 12 ASP CB . 6854 1 134 . 1 1 12 12 ASP N N 15 117.223 0.400 . 1 . . . . 12 ASP N . 6854 1 135 . 1 1 13 13 TYR H H 1 8.804 0.020 . 1 . . . . 13 TYR H . 6854 1 136 . 1 1 13 13 TYR HA H 1 4.674 0.020 . 1 . . . . 13 TYR HA . 6854 1 137 . 1 1 13 13 TYR HB2 H 1 2.949 0.020 . 2 . . . . 13 TYR HB2 . 6854 1 138 . 1 1 13 13 TYR HB3 H 1 2.919 0.020 . 2 . . . . 13 TYR HB3 . 6854 1 139 . 1 1 13 13 TYR HD1 H 1 7.004 0.020 . 1 . . . . 13 TYR HD1 . 6854 1 140 . 1 1 13 13 TYR HE1 H 1 6.874 0.020 . 1 . . . . 13 TYR HE1 . 6854 1 141 . 1 1 13 13 TYR CA C 13 59.629 0.400 . 1 . . . . 13 TYR CA . 6854 1 142 . 1 1 13 13 TYR CB C 13 41.890 0.400 . 1 . . . . 13 TYR CB . 6854 1 143 . 1 1 13 13 TYR N N 15 121.033 0.400 . 1 . . . . 13 TYR N . 6854 1 144 . 1 1 14 14 THR H H 1 7.212 0.020 . 1 . . . . 14 THR H . 6854 1 145 . 1 1 14 14 THR HA H 1 4.497 0.020 . 1 . . . . 14 THR HA . 6854 1 146 . 1 1 14 14 THR HB H 1 3.610 0.020 . 1 . . . . 14 THR HB . 6854 1 147 . 1 1 14 14 THR HG21 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1 148 . 1 1 14 14 THR HG22 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1 149 . 1 1 14 14 THR HG23 H 1 1.112 0.020 . 1 . . . . 14 THR HG2 . 6854 1 150 . 1 1 14 14 THR CA C 13 60.853 0.400 . 1 . . . . 14 THR CA . 6854 1 151 . 1 1 14 14 THR CB C 13 70.147 0.400 . 1 . . . . 14 THR CB . 6854 1 152 . 1 1 14 14 THR CG2 C 13 21.673 0.400 . 1 . . . . 14 THR CG2 . 6854 1 153 . 1 1 14 14 THR N N 15 124.580 0.400 . 1 . . . . 14 THR N . 6854 1 154 . 1 1 15 15 ALA H H 1 8.847 0.020 . 1 . . . . 15 ALA H . 6854 1 155 . 1 1 15 15 ALA HA H 1 4.252 0.020 . 1 . . . . 15 ALA HA . 6854 1 156 . 1 1 15 15 ALA HB1 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1 157 . 1 1 15 15 ALA HB2 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1 158 . 1 1 15 15 ALA HB3 H 1 1.303 0.020 . 1 . . . . 15 ALA HB . 6854 1 159 . 1 1 15 15 ALA CA C 13 53.420 0.400 . 1 . . . . 15 ALA CA . 6854 1 160 . 1 1 15 15 ALA CB C 13 20.103 0.400 . 1 . . . . 15 ALA CB . 6854 1 161 . 1 1 15 15 ALA N N 15 128.851 0.400 . 1 . . . . 15 ALA N . 6854 1 162 . 1 1 16 16 GLN H H 1 9.141 0.020 . 1 . . . . 16 GLN H . 6854 1 163 . 1 1 16 16 GLN HA H 1 4.292 0.020 . 1 . . . . 16 GLN HA . 6854 1 164 . 1 1 16 16 GLN HB2 H 1 2.178 0.020 . 2 . . . . 16 GLN HB2 . 6854 1 165 . 1 1 16 16 GLN HB3 H 1 2.324 0.020 . 2 . . . . 16 GLN HB3 . 6854 1 166 . 1 1 16 16 GLN HG2 H 1 2.549 0.020 . 2 . . . . 16 GLN HG2 . 6854 1 167 . 1 1 16 16 GLN HG3 H 1 2.464 0.020 . 2 . . . . 16 GLN HG3 . 6854 1 168 . 1 1 16 16 GLN HE21 H 1 6.898 0.020 . 2 . . . . 16 GLN HE21 . 6854 1 169 . 1 1 16 16 GLN HE22 H 1 7.428 0.020 . 2 . . . . 16 GLN HE22 . 6854 1 170 . 1 1 16 16 GLN CA C 13 55.396 0.400 . 1 . . . . 16 GLN CA . 6854 1 171 . 1 1 16 16 GLN CB C 13 31.324 0.400 . 1 . . . . 16 GLN CB . 6854 1 172 . 1 1 16 16 GLN CG C 13 34.454 0.400 . 1 . . . . 16 GLN CG . 6854 1 173 . 1 1 16 16 GLN N N 15 120.594 0.400 . 1 . . . . 16 GLN N . 6854 1 174 . 1 1 16 16 GLN NE2 N 15 113.830 0.400 . 1 . . . . 16 GLN NE2 . 6854 1 175 . 1 1 17 17 GLN H H 1 7.221 0.020 . 1 . . . . 17 GLN H . 6854 1 176 . 1 1 17 17 GLN HA H 1 4.591 0.020 . 1 . . . . 17 GLN HA . 6854 1 177 . 1 1 17 17 GLN HB2 H 1 2.313 0.020 . 2 . . . . 17 GLN HB2 . 6854 1 178 . 1 1 17 17 GLN HB3 H 1 1.723 0.020 . 2 . . . . 17 GLN HB3 . 6854 1 179 . 1 1 17 17 GLN HG2 H 1 2.203 0.020 . 1 . . . . 17 GLN HG2 . 6854 1 180 . 1 1 17 17 GLN HG3 H 1 2.203 0.020 . 1 . . . . 17 GLN HG3 . 6854 1 181 . 1 1 17 17 GLN HE21 H 1 6.611 0.020 . 2 . . . . 17 GLN HE21 . 6854 1 182 . 1 1 17 17 GLN HE22 H 1 7.493 0.020 . 2 . . . . 17 GLN HE22 . 6854 1 183 . 1 1 17 17 GLN CA C 13 54.127 0.400 . 1 . . . . 17 GLN CA . 6854 1 184 . 1 1 17 17 GLN CB C 13 32.763 0.400 . 1 . . . . 17 GLN CB . 6854 1 185 . 1 1 17 17 GLN CG C 13 33.567 0.400 . 1 . . . . 17 GLN CG . 6854 1 186 . 1 1 17 17 GLN N N 15 114.269 0.400 . 1 . . . . 17 GLN N . 6854 1 187 . 1 1 17 17 GLN NE2 N 15 111.824 0.400 . 1 . . . . 17 GLN NE2 . 6854 1 188 . 1 1 18 18 ASP H H 1 8.818 0.020 . 1 . . . . 18 ASP H . 6854 1 189 . 1 1 18 18 ASP HA H 1 4.373 0.020 . 1 . . . . 18 ASP HA . 6854 1 190 . 1 1 18 18 ASP HB2 H 1 2.695 0.020 . 1 . . . . 18 ASP HB2 . 6854 1 191 . 1 1 18 18 ASP HB3 H 1 2.695 0.020 . 1 . . . . 18 ASP HB3 . 6854 1 192 . 1 1 18 18 ASP CA C 13 57.666 0.400 . 1 . . . . 18 ASP CA . 6854 1 193 . 1 1 18 18 ASP CB C 13 41.323 0.400 . 1 . . . . 18 ASP CB . 6854 1 194 . 1 1 18 18 ASP N N 15 120.992 0.400 . 1 . . . . 18 ASP N . 6854 1 195 . 1 1 19 19 GLN H H 1 8.316 0.020 . 1 . . . . 19 GLN H . 6854 1 196 . 1 1 19 19 GLN HA H 1 4.532 0.020 . 1 . . . . 19 GLN HA . 6854 1 197 . 1 1 19 19 GLN HB3 H 1 1.718 0.020 . 2 . . . . 19 GLN HB3 . 6854 1 198 . 1 1 19 19 GLN HG2 H 1 2.334 0.020 . 1 . . . . 19 GLN HG2 . 6854 1 199 . 1 1 19 19 GLN HG3 H 1 2.334 0.020 . 1 . . . . 19 GLN HG3 . 6854 1 200 . 1 1 19 19 GLN HE21 H 1 6.700 0.020 . 2 . . . . 19 GLN HE21 . 6854 1 201 . 1 1 19 19 GLN HE22 H 1 7.451 0.020 . 2 . . . . 19 GLN HE22 . 6854 1 202 . 1 1 19 19 GLN CA C 13 56.796 0.400 . 1 . . . . 19 GLN CA . 6854 1 203 . 1 1 19 19 GLN CB C 13 28.425 0.400 . 1 . . . . 19 GLN CB . 6854 1 204 . 1 1 19 19 GLN CG C 13 34.084 0.400 . 1 . . . . 19 GLN CG . 6854 1 205 . 1 1 19 19 GLN N N 15 113.573 0.400 . 1 . . . . 19 GLN N . 6854 1 206 . 1 1 19 19 GLN NE2 N 15 112.228 0.400 . 1 . . . . 19 GLN NE2 . 6854 1 207 . 1 1 20 20 GLU H H 1 7.725 0.020 . 1 . . . . 20 GLU H . 6854 1 208 . 1 1 20 20 GLU HA H 1 5.348 0.020 . 1 . . . . 20 GLU HA . 6854 1 209 . 1 1 20 20 GLU HB2 H 1 2.578 0.020 . 2 . . . . 20 GLU HB2 . 6854 1 210 . 1 1 20 20 GLU HB3 H 1 1.716 0.020 . 2 . . . . 20 GLU HB3 . 6854 1 211 . 1 1 20 20 GLU HG2 H 1 2.096 0.020 . 2 . . . . 20 GLU HG2 . 6854 1 212 . 1 1 20 20 GLU HG3 H 1 2.318 0.020 . 2 . . . . 20 GLU HG3 . 6854 1 213 . 1 1 20 20 GLU CA C 13 55.881 0.400 . 1 . . . . 20 GLU CA . 6854 1 214 . 1 1 20 20 GLU CB C 13 32.808 0.400 . 1 . . . . 20 GLU CB . 6854 1 215 . 1 1 20 20 GLU CG C 13 37.632 0.400 . 1 . . . . 20 GLU CG . 6854 1 216 . 1 1 20 20 GLU N N 15 120.137 0.400 . 1 . . . . 20 GLU N . 6854 1 217 . 1 1 21 21 LEU H H 1 7.878 0.020 . 1 . . . . 21 LEU H . 6854 1 218 . 1 1 21 21 LEU HA H 1 4.682 0.020 . 1 . . . . 21 LEU HA . 6854 1 219 . 1 1 21 21 LEU HB2 H 1 1.527 0.020 . 1 . . . . 21 LEU HB2 . 6854 1 220 . 1 1 21 21 LEU HB3 H 1 1.527 0.020 . 1 . . . . 21 LEU HB3 . 6854 1 221 . 1 1 21 21 LEU HG H 1 1.583 0.020 . 1 . . . . 21 LEU HG . 6854 1 222 . 1 1 21 21 LEU HD11 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1 223 . 1 1 21 21 LEU HD12 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1 224 . 1 1 21 21 LEU HD13 H 1 0.634 0.020 . 1 . . . . 21 LEU HD1 . 6854 1 225 . 1 1 21 21 LEU HD21 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1 226 . 1 1 21 21 LEU HD22 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1 227 . 1 1 21 21 LEU HD23 H 1 0.740 0.020 . 1 . . . . 21 LEU HD2 . 6854 1 228 . 1 1 21 21 LEU CA C 13 53.510 0.400 . 1 . . . . 21 LEU CA . 6854 1 229 . 1 1 21 21 LEU CB C 13 46.779 0.400 . 1 . . . . 21 LEU CB . 6854 1 230 . 1 1 21 21 LEU CG C 13 26.017 0.400 . 1 . . . . 21 LEU CG . 6854 1 231 . 1 1 21 21 LEU CD1 C 13 26.017 0.400 . 1 . . . . 21 LEU CD1 . 6854 1 232 . 1 1 21 21 LEU CD2 C 13 24.245 0.400 . 1 . . . . 21 LEU CD2 . 6854 1 233 . 1 1 21 21 LEU N N 15 122.315 0.400 . 1 . . . . 21 LEU N . 6854 1 234 . 1 1 22 22 ASP H H 1 7.540 0.020 . 1 . . . . 22 ASP H . 6854 1 235 . 1 1 22 22 ASP HA H 1 5.169 0.020 . 1 . . . . 22 ASP HA . 6854 1 236 . 1 1 22 22 ASP HB2 H 1 2.749 0.020 . 2 . . . . 22 ASP HB2 . 6854 1 237 . 1 1 22 22 ASP HB3 H 1 2.564 0.020 . 2 . . . . 22 ASP HB3 . 6854 1 238 . 1 1 22 22 ASP CA C 13 54.409 0.400 . 1 . . . . 22 ASP CA . 6854 1 239 . 1 1 22 22 ASP CB C 13 42.488 0.400 . 1 . . . . 22 ASP CB . 6854 1 240 . 1 1 22 22 ASP N N 15 120.847 0.400 . 1 . . . . 22 ASP N . 6854 1 241 . 1 1 23 23 ILE H H 1 8.985 0.020 . 1 . . . . 23 ILE H . 6854 1 242 . 1 1 23 23 ILE HA H 1 5.130 0.020 . 1 . . . . 23 ILE HA . 6854 1 243 . 1 1 23 23 ILE HB H 1 1.866 0.020 . 1 . . . . 23 ILE HB . 6854 1 244 . 1 1 23 23 ILE HG12 H 1 1.479 0.020 . 2 . . . . 23 ILE HG12 . 6854 1 245 . 1 1 23 23 ILE HG13 H 1 1.793 0.020 . 2 . . . . 23 ILE HG13 . 6854 1 246 . 1 1 23 23 ILE HG21 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1 247 . 1 1 23 23 ILE HG22 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1 248 . 1 1 23 23 ILE HG23 H 1 0.899 0.020 . 1 . . . . 23 ILE HG2 . 6854 1 249 . 1 1 23 23 ILE HD11 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1 250 . 1 1 23 23 ILE HD12 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1 251 . 1 1 23 23 ILE HD13 H 1 0.900 0.020 . 1 . . . . 23 ILE HD1 . 6854 1 252 . 1 1 23 23 ILE CA C 13 59.908 0.400 . 1 . . . . 23 ILE CA . 6854 1 253 . 1 1 23 23 ILE CB C 13 42.633 0.400 . 1 . . . . 23 ILE CB . 6854 1 254 . 1 1 23 23 ILE CG1 C 13 26.027 0.400 . 1 . . . . 23 ILE CG1 . 6854 1 255 . 1 1 23 23 ILE CG2 C 13 19.397 0.400 . 1 . . . . 23 ILE CG2 . 6854 1 256 . 1 1 23 23 ILE CD1 C 13 13.028 0.400 . 1 . . . . 23 ILE CD1 . 6854 1 257 . 1 1 23 23 ILE N N 15 115.641 0.400 . 1 . . . . 23 ILE N . 6854 1 258 . 1 1 24 24 LYS H H 1 9.001 0.020 . 1 . . . . 24 LYS H . 6854 1 259 . 1 1 24 24 LYS HA H 1 5.086 0.020 . 1 . . . . 24 LYS HA . 6854 1 260 . 1 1 24 24 LYS HB2 H 1 1.704 0.020 . 2 . . . . 24 LYS HB2 . 6854 1 261 . 1 1 24 24 LYS HB3 H 1 1.473 0.020 . 2 . . . . 24 LYS HB3 . 6854 1 262 . 1 1 24 24 LYS HG2 H 1 1.665 0.020 . 2 . . . . 24 LYS HG2 . 6854 1 263 . 1 1 24 24 LYS HG3 H 1 1.473 0.020 . 2 . . . . 24 LYS HG3 . 6854 1 264 . 1 1 24 24 LYS HD2 H 1 1.666 0.020 . 2 . . . . 24 LYS HD2 . 6854 1 265 . 1 1 24 24 LYS HD3 H 1 1.701 0.020 . 2 . . . . 24 LYS HD3 . 6854 1 266 . 1 1 24 24 LYS HE2 H 1 3.010 0.020 . 1 . . . . 24 LYS HE2 . 6854 1 267 . 1 1 24 24 LYS HE3 H 1 3.010 0.020 . 1 . . . . 24 LYS HE3 . 6854 1 268 . 1 1 24 24 LYS CA C 13 53.236 0.400 . 1 . . . . 24 LYS CA . 6854 1 269 . 1 1 24 24 LYS CB C 13 35.756 0.400 . 1 . . . . 24 LYS CB . 6854 1 270 . 1 1 24 24 LYS CG C 13 24.759 0.400 . 1 . . . . 24 LYS CG . 6854 1 271 . 1 1 24 24 LYS CD C 13 29.206 0.400 . 1 . . . . 24 LYS CD . 6854 1 272 . 1 1 24 24 LYS CE C 13 42.585 0.400 . 1 . . . . 24 LYS CE . 6854 1 273 . 1 1 24 24 LYS N N 15 123.424 0.400 . 1 . . . . 24 LYS N . 6854 1 274 . 1 1 25 25 LYS H H 1 9.018 0.020 . 1 . . . . 25 LYS H . 6854 1 275 . 1 1 25 25 LYS HA H 1 3.115 0.020 . 1 . . . . 25 LYS HA . 6854 1 276 . 1 1 25 25 LYS HB2 H 1 1.662 0.020 . 1 . . . . 25 LYS HB2 . 6854 1 277 . 1 1 25 25 LYS HB3 H 1 1.662 0.020 . 1 . . . . 25 LYS HB3 . 6854 1 278 . 1 1 25 25 LYS HG2 H 1 1.183 0.020 . 2 . . . . 25 LYS HG2 . 6854 1 279 . 1 1 25 25 LYS HG3 H 1 1.277 0.020 . 2 . . . . 25 LYS HG3 . 6854 1 280 . 1 1 25 25 LYS HD2 H 1 1.713 0.020 . 1 . . . . 25 LYS HD2 . 6854 1 281 . 1 1 25 25 LYS HD3 H 1 1.713 0.020 . 1 . . . . 25 LYS HD3 . 6854 1 282 . 1 1 25 25 LYS HE2 H 1 3.072 0.020 . 1 . . . . 25 LYS HE2 . 6854 1 283 . 1 1 25 25 LYS HE3 H 1 3.072 0.020 . 1 . . . . 25 LYS HE3 . 6854 1 284 . 1 1 25 25 LYS CA C 13 59.385 0.400 . 1 . . . . 25 LYS CA . 6854 1 285 . 1 1 25 25 LYS CB C 13 32.888 0.400 . 1 . . . . 25 LYS CB . 6854 1 286 . 1 1 25 25 LYS CG C 13 24.845 0.400 . 1 . . . . 25 LYS CG . 6854 1 287 . 1 1 25 25 LYS CD C 13 30.093 0.400 . 1 . . . . 25 LYS CD . 6854 1 288 . 1 1 25 25 LYS CE C 13 42.585 0.400 . 1 . . . . 25 LYS CE . 6854 1 289 . 1 1 25 25 LYS N N 15 121.245 0.400 . 1 . . . . 25 LYS N . 6854 1 290 . 1 1 26 26 ASN H H 1 8.739 0.020 . 1 . . . . 26 ASN H . 6854 1 291 . 1 1 26 26 ASN HA H 1 4.176 0.020 . 1 . . . . 26 ASN HA . 6854 1 292 . 1 1 26 26 ASN HB2 H 1 3.282 0.020 . 2 . . . . 26 ASN HB2 . 6854 1 293 . 1 1 26 26 ASN HB3 H 1 2.952 0.020 . 2 . . . . 26 ASN HB3 . 6854 1 294 . 1 1 26 26 ASN HD21 H 1 7.013 0.020 . 2 . . . . 26 ASN HD21 . 6854 1 295 . 1 1 26 26 ASN HD22 H 1 7.636 0.020 . 2 . . . . 26 ASN HD22 . 6854 1 296 . 1 1 26 26 ASN CA C 13 56.083 0.400 . 1 . . . . 26 ASN CA . 6854 1 297 . 1 1 26 26 ASN CB C 13 37.611 0.400 . 1 . . . . 26 ASN CB . 6854 1 298 . 1 1 26 26 ASN N N 15 118.668 0.400 . 1 . . . . 26 ASN N . 6854 1 299 . 1 1 26 26 ASN ND2 N 15 113.658 0.400 . 1 . . . . 26 ASN ND2 . 6854 1 300 . 1 1 27 27 GLU H H 1 8.648 0.020 . 1 . . . . 27 GLU H . 6854 1 301 . 1 1 27 27 GLU HA H 1 4.148 0.020 . 1 . . . . 27 GLU HA . 6854 1 302 . 1 1 27 27 GLU HB3 H 1 2.069 0.020 . 2 . . . . 27 GLU HB3 . 6854 1 303 . 1 1 27 27 GLU HG2 H 1 2.333 0.020 . 1 . . . . 27 GLU HG2 . 6854 1 304 . 1 1 27 27 GLU HG3 H 1 2.333 0.020 . 1 . . . . 27 GLU HG3 . 6854 1 305 . 1 1 27 27 GLU CA C 13 57.996 0.400 . 1 . . . . 27 GLU CA . 6854 1 306 . 1 1 27 27 GLU CB C 13 32.070 0.400 . 1 . . . . 27 GLU CB . 6854 1 307 . 1 1 27 27 GLU CG C 13 36.524 0.400 . 1 . . . . 27 GLU CG . 6854 1 308 . 1 1 27 27 GLU N N 15 124.019 0.400 . 1 . . . . 27 GLU N . 6854 1 309 . 1 1 28 28 ARG H H 1 8.389 0.020 . 1 . . . . 28 ARG H . 6854 1 310 . 1 1 28 28 ARG HA H 1 4.512 0.020 . 1 . . . . 28 ARG HA . 6854 1 311 . 1 1 28 28 ARG HB2 H 1 1.443 0.020 . 2 . . . . 28 ARG HB2 . 6854 1 312 . 1 1 28 28 ARG HB3 H 1 1.653 0.020 . 2 . . . . 28 ARG HB3 . 6854 1 313 . 1 1 28 28 ARG HG2 H 1 1.183 0.020 . 2 . . . . 28 ARG HG2 . 6854 1 314 . 1 1 28 28 ARG HG3 H 1 1.443 0.020 . 2 . . . . 28 ARG HG3 . 6854 1 315 . 1 1 28 28 ARG HD2 H 1 3.042 0.020 . 2 . . . . 28 ARG HD2 . 6854 1 316 . 1 1 28 28 ARG HD3 H 1 2.989 0.020 . 2 . . . . 28 ARG HD3 . 6854 1 317 . 1 1 28 28 ARG CA C 13 56.393 0.400 . 1 . . . . 28 ARG CA . 6854 1 318 . 1 1 28 28 ARG CB C 13 31.240 0.400 . 1 . . . . 28 ARG CB . 6854 1 319 . 1 1 28 28 ARG CG C 13 28.319 0.400 . 1 . . . . 28 ARG CG . 6854 1 320 . 1 1 28 28 ARG CD C 13 43.989 0.400 . 1 . . . . 28 ARG CD . 6854 1 321 . 1 1 28 28 ARG N N 15 124.708 0.400 . 1 . . . . 28 ARG N . 6854 1 322 . 1 1 29 29 LEU H H 1 8.873 0.020 . 1 . . . . 29 LEU H . 6854 1 323 . 1 1 29 29 LEU HA H 1 4.920 0.020 . 1 . . . . 29 LEU HA . 6854 1 324 . 1 1 29 29 LEU HB2 H 1 1.263 0.020 . 2 . . . . 29 LEU HB2 . 6854 1 325 . 1 1 29 29 LEU HB3 H 1 1.478 0.020 . 2 . . . . 29 LEU HB3 . 6854 1 326 . 1 1 29 29 LEU HG H 1 1.571 0.020 . 1 . . . . 29 LEU HG . 6854 1 327 . 1 1 29 29 LEU HD11 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1 328 . 1 1 29 29 LEU HD12 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1 329 . 1 1 29 29 LEU HD13 H 1 0.894 0.020 . 1 . . . . 29 LEU HD1 . 6854 1 330 . 1 1 29 29 LEU HD21 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1 331 . 1 1 29 29 LEU HD22 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1 332 . 1 1 29 29 LEU HD23 H 1 0.807 0.020 . 1 . . . . 29 LEU HD2 . 6854 1 333 . 1 1 29 29 LEU CA C 13 53.569 0.400 . 1 . . . . 29 LEU CA . 6854 1 334 . 1 1 29 29 LEU CB C 13 46.395 0.400 . 1 . . . . 29 LEU CB . 6854 1 335 . 1 1 29 29 LEU CG C 13 27.358 0.400 . 1 . . . . 29 LEU CG . 6854 1 336 . 1 1 29 29 LEU CD1 C 13 24.629 0.400 . 1 . . . . 29 LEU CD1 . 6854 1 337 . 1 1 29 29 LEU CD2 C 13 26.986 0.400 . 1 . . . . 29 LEU CD2 . 6854 1 338 . 1 1 29 29 LEU N N 15 125.527 0.400 . 1 . . . . 29 LEU N . 6854 1 339 . 1 1 30 30 TRP H H 1 9.202 0.020 . 1 . . . . 30 TRP H . 6854 1 340 . 1 1 30 30 TRP HA H 1 4.983 0.020 . 1 . . . . 30 TRP HA . 6854 1 341 . 1 1 30 30 TRP HB2 H 1 3.087 0.020 . 2 . . . . 30 TRP HB2 . 6854 1 342 . 1 1 30 30 TRP HB3 H 1 2.990 0.020 . 2 . . . . 30 TRP HB3 . 6854 1 343 . 1 1 30 30 TRP HD1 H 1 7.016 0.020 . 1 . . . . 30 TRP HD1 . 6854 1 344 . 1 1 30 30 TRP HE1 H 1 10.221 0.020 . 1 . . . . 30 TRP HE1 . 6854 1 345 . 1 1 30 30 TRP HE3 H 1 7.728 0.020 . 1 . . . . 30 TRP HE3 . 6854 1 346 . 1 1 30 30 TRP HZ2 H 1 7.425 0.020 . 1 . . . . 30 TRP HZ2 . 6854 1 347 . 1 1 30 30 TRP HZ3 H 1 6.830 0.020 . 1 . . . . 30 TRP HZ3 . 6854 1 348 . 1 1 30 30 TRP HH2 H 1 7.156 0.020 . 1 . . . . 30 TRP HH2 . 6854 1 349 . 1 1 30 30 TRP CA C 13 58.600 0.400 . 1 . . . . 30 TRP CA . 6854 1 350 . 1 1 30 30 TRP CB C 13 31.265 0.400 . 1 . . . . 30 TRP CB . 6854 1 351 . 1 1 30 30 TRP N N 15 121.346 0.400 . 1 . . . . 30 TRP N . 6854 1 352 . 1 1 30 30 TRP NE1 N 15 129.526 0.400 . 1 . . . . 30 TRP NE1 . 6854 1 353 . 1 1 31 31 LEU H H 1 9.102 0.020 . 1 . . . . 31 LEU H . 6854 1 354 . 1 1 31 31 LEU HA H 1 4.301 0.020 . 1 . . . . 31 LEU HA . 6854 1 355 . 1 1 31 31 LEU HB2 H 1 1.138 0.020 . 2 . . . . 31 LEU HB2 . 6854 1 356 . 1 1 31 31 LEU HB3 H 1 1.893 0.020 . 2 . . . . 31 LEU HB3 . 6854 1 357 . 1 1 31 31 LEU HG H 1 1.133 0.020 . 1 . . . . 31 LEU HG . 6854 1 358 . 1 1 31 31 LEU HD11 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1 359 . 1 1 31 31 LEU HD12 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1 360 . 1 1 31 31 LEU HD13 H 1 0.358 0.020 . 1 . . . . 31 LEU HD1 . 6854 1 361 . 1 1 31 31 LEU HD21 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1 362 . 1 1 31 31 LEU HD22 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1 363 . 1 1 31 31 LEU HD23 H 1 0.581 0.020 . 1 . . . . 31 LEU HD2 . 6854 1 364 . 1 1 31 31 LEU CA C 13 55.830 0.400 . 1 . . . . 31 LEU CA . 6854 1 365 . 1 1 31 31 LEU CB C 13 43.758 0.400 . 1 . . . . 31 LEU CB . 6854 1 366 . 1 1 31 31 LEU CG C 13 27.210 0.400 . 1 . . . . 31 LEU CG . 6854 1 367 . 1 1 31 31 LEU CD1 C 13 25.647 0.400 . 1 . . . . 31 LEU CD1 . 6854 1 368 . 1 1 31 31 LEU CD2 C 13 24.197 0.400 . 1 . . . . 31 LEU CD2 . 6854 1 369 . 1 1 31 31 LEU N N 15 124.901 0.400 . 1 . . . . 31 LEU N . 6854 1 370 . 1 1 32 32 LEU H H 1 9.021 0.020 . 1 . . . . 32 LEU H . 6854 1 371 . 1 1 32 32 LEU HA H 1 4.590 0.020 . 1 . . . . 32 LEU HA . 6854 1 372 . 1 1 32 32 LEU HB2 H 1 1.517 0.020 . 2 . . . . 32 LEU HB2 . 6854 1 373 . 1 1 32 32 LEU HB3 H 1 1.249 0.020 . 2 . . . . 32 LEU HB3 . 6854 1 374 . 1 1 32 32 LEU HG H 1 1.619 0.020 . 1 . . . . 32 LEU HG . 6854 1 375 . 1 1 32 32 LEU HD11 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1 376 . 1 1 32 32 LEU HD12 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1 377 . 1 1 32 32 LEU HD13 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 6854 1 378 . 1 1 32 32 LEU HD21 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1 379 . 1 1 32 32 LEU HD22 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1 380 . 1 1 32 32 LEU HD23 H 1 0.772 0.020 . 1 . . . . 32 LEU HD2 . 6854 1 381 . 1 1 32 32 LEU CA C 13 55.712 0.400 . 1 . . . . 32 LEU CA . 6854 1 382 . 1 1 32 32 LEU CB C 13 42.955 0.400 . 1 . . . . 32 LEU CB . 6854 1 383 . 1 1 32 32 LEU CG C 13 27.728 0.400 . 1 . . . . 32 LEU CG . 6854 1 384 . 1 1 32 32 LEU CD1 C 13 22.745 0.400 . 1 . . . . 32 LEU CD1 . 6854 1 385 . 1 1 32 32 LEU CD2 C 13 26.174 0.400 . 1 . . . . 32 LEU CD2 . 6854 1 386 . 1 1 32 32 LEU N N 15 126.339 0.400 . 1 . . . . 32 LEU N . 6854 1 387 . 1 1 33 33 ASP H H 1 7.458 0.020 . 1 . . . . 33 ASP H . 6854 1 388 . 1 1 33 33 ASP HA H 1 4.738 0.020 . 1 . . . . 33 ASP HA . 6854 1 389 . 1 1 33 33 ASP HB2 H 1 2.752 0.020 . 1 . . . . 33 ASP HB2 . 6854 1 390 . 1 1 33 33 ASP HB3 H 1 2.752 0.020 . 1 . . . . 33 ASP HB3 . 6854 1 391 . 1 1 33 33 ASP CA C 13 55.564 0.400 . 1 . . . . 33 ASP CA . 6854 1 392 . 1 1 33 33 ASP CB C 13 43.660 0.400 . 1 . . . . 33 ASP CB . 6854 1 393 . 1 1 33 33 ASP N N 15 115.276 0.400 . 1 . . . . 33 ASP N . 6854 1 394 . 1 1 34 34 ASP H H 1 8.305 0.020 . 1 . . . . 34 ASP H . 6854 1 395 . 1 1 34 34 ASP HA H 1 3.864 0.020 . 1 . . . . 34 ASP HA . 6854 1 396 . 1 1 34 34 ASP HB2 H 1 1.900 0.020 . 2 . . . . 34 ASP HB2 . 6854 1 397 . 1 1 34 34 ASP HB3 H 1 1.093 0.020 . 2 . . . . 34 ASP HB3 . 6854 1 398 . 1 1 34 34 ASP CA C 13 52.456 0.400 . 1 . . . . 34 ASP CA . 6854 1 399 . 1 1 34 34 ASP CB C 13 40.273 0.400 . 1 . . . . 34 ASP CB . 6854 1 400 . 1 1 34 34 ASP N N 15 128.620 0.400 . 1 . . . . 34 ASP N . 6854 1 401 . 1 1 35 35 SER H H 1 8.427 0.020 . 1 . . . . 35 SER H . 6854 1 402 . 1 1 35 35 SER HB2 H 1 4.039 0.020 . 2 . . . . 35 SER HB2 . 6854 1 403 . 1 1 35 35 SER HB3 H 1 4.225 0.020 . 2 . . . . 35 SER HB3 . 6854 1 404 . 1 1 35 35 SER CA C 13 61.704 0.400 . 1 . . . . 35 SER CA . 6854 1 405 . 1 1 35 35 SER CB C 13 64.280 0.400 . 1 . . . . 35 SER CB . 6854 1 406 . 1 1 35 35 SER N N 15 115.482 0.400 . 1 . . . . 35 SER N . 6854 1 407 . 1 1 36 36 LYS H H 1 8.406 0.020 . 1 . . . . 36 LYS H . 6854 1 408 . 1 1 36 36 LYS HA H 1 4.895 0.020 . 1 . . . . 36 LYS HA . 6854 1 409 . 1 1 36 36 LYS HB2 H 1 2.273 0.020 . 2 . . . . 36 LYS HB2 . 6854 1 410 . 1 1 36 36 LYS HB3 H 1 2.333 0.020 . 2 . . . . 36 LYS HB3 . 6854 1 411 . 1 1 36 36 LYS HG2 H 1 1.686 0.020 . 2 . . . . 36 LYS HG2 . 6854 1 412 . 1 1 36 36 LYS HG3 H 1 1.573 0.020 . 2 . . . . 36 LYS HG3 . 6854 1 413 . 1 1 36 36 LYS HD2 H 1 1.752 0.020 . 2 . . . . 36 LYS HD2 . 6854 1 414 . 1 1 36 36 LYS HD3 H 1 1.777 0.020 . 2 . . . . 36 LYS HD3 . 6854 1 415 . 1 1 36 36 LYS HE2 H 1 3.072 0.020 . 1 . . . . 36 LYS HE2 . 6854 1 416 . 1 1 36 36 LYS HE3 H 1 3.072 0.020 . 1 . . . . 36 LYS HE3 . 6854 1 417 . 1 1 36 36 LYS CA C 13 55.471 0.400 . 1 . . . . 36 LYS CA . 6854 1 418 . 1 1 36 36 LYS CB C 13 34.298 0.400 . 1 . . . . 36 LYS CB . 6854 1 419 . 1 1 36 36 LYS CG C 13 25.435 0.400 . 1 . . . . 36 LYS CG . 6854 1 420 . 1 1 36 36 LYS CD C 13 29.575 0.400 . 1 . . . . 36 LYS CD . 6854 1 421 . 1 1 36 36 LYS CE C 13 42.733 0.400 . 1 . . . . 36 LYS CE . 6854 1 422 . 1 1 36 36 LYS N N 15 122.112 0.400 . 1 . . . . 36 LYS N . 6854 1 423 . 1 1 37 37 THR H H 1 8.134 0.020 . 1 . . . . 37 THR H . 6854 1 424 . 1 1 37 37 THR HA H 1 4.153 0.020 . 1 . . . . 37 THR HA . 6854 1 425 . 1 1 37 37 THR HB H 1 4.321 0.020 . 1 . . . . 37 THR HB . 6854 1 426 . 1 1 37 37 THR HG21 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1 427 . 1 1 37 37 THR HG22 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1 428 . 1 1 37 37 THR HG23 H 1 1.272 0.020 . 1 . . . . 37 THR HG2 . 6854 1 429 . 1 1 37 37 THR CA C 13 64.847 0.400 . 1 . . . . 37 THR CA . 6854 1 430 . 1 1 37 37 THR CB C 13 69.196 0.400 . 1 . . . . 37 THR CB . 6854 1 431 . 1 1 37 37 THR CG2 C 13 22.472 0.400 . 1 . . . . 37 THR CG2 . 6854 1 432 . 1 1 37 37 THR N N 15 109.711 0.400 . 1 . . . . 37 THR N . 6854 1 433 . 1 1 38 38 TRP H H 1 7.515 0.020 . 1 . . . . 38 TRP H . 6854 1 434 . 1 1 38 38 TRP HA H 1 4.794 0.020 . 1 . . . . 38 TRP HA . 6854 1 435 . 1 1 38 38 TRP HB2 H 1 3.060 0.020 . 2 . . . . 38 TRP HB2 . 6854 1 436 . 1 1 38 38 TRP HB3 H 1 2.916 0.020 . 2 . . . . 38 TRP HB3 . 6854 1 437 . 1 1 38 38 TRP HD1 H 1 7.184 0.020 . 1 . . . . 38 TRP HD1 . 6854 1 438 . 1 1 38 38 TRP HE1 H 1 10.164 0.020 . 1 . . . . 38 TRP HE1 . 6854 1 439 . 1 1 38 38 TRP HE3 H 1 7.002 0.020 . 1 . . . . 38 TRP HE3 . 6854 1 440 . 1 1 38 38 TRP HZ2 H 1 7.379 0.020 . 1 . . . . 38 TRP HZ2 . 6854 1 441 . 1 1 38 38 TRP HZ3 H 1 6.743 0.020 . 1 . . . . 38 TRP HZ3 . 6854 1 442 . 1 1 38 38 TRP HH2 H 1 7.315 0.020 . 1 . . . . 38 TRP HH2 . 6854 1 443 . 1 1 38 38 TRP CA C 13 57.125 0.400 . 1 . . . . 38 TRP CA . 6854 1 444 . 1 1 38 38 TRP CB C 13 29.826 0.400 . 1 . . . . 38 TRP CB . 6854 1 445 . 1 1 38 38 TRP N N 15 121.554 0.400 . 1 . . . . 38 TRP N . 6854 1 446 . 1 1 38 38 TRP NE1 N 15 130.225 0.400 . 1 . . . . 38 TRP NE1 . 6854 1 447 . 1 1 39 39 TRP H H 1 9.314 0.020 . 1 . . . . 39 TRP H . 6854 1 448 . 1 1 39 39 TRP HA H 1 5.382 0.020 . 1 . . . . 39 TRP HA . 6854 1 449 . 1 1 39 39 TRP HB2 H 1 2.909 0.020 . 2 . . . . 39 TRP HB2 . 6854 1 450 . 1 1 39 39 TRP HB3 H 1 2.815 0.020 . 2 . . . . 39 TRP HB3 . 6854 1 451 . 1 1 39 39 TRP HD1 H 1 7.229 0.020 . 1 . . . . 39 TRP HD1 . 6854 1 452 . 1 1 39 39 TRP HE1 H 1 9.809 0.020 . 1 . . . . 39 TRP HE1 . 6854 1 453 . 1 1 39 39 TRP HE3 H 1 7.031 0.020 . 1 . . . . 39 TRP HE3 . 6854 1 454 . 1 1 39 39 TRP HZ2 H 1 7.557 0.020 . 1 . . . . 39 TRP HZ2 . 6854 1 455 . 1 1 39 39 TRP HZ3 H 1 6.719 0.020 . 1 . . . . 39 TRP HZ3 . 6854 1 456 . 1 1 39 39 TRP HH2 H 1 7.216 0.020 . 1 . . . . 39 TRP HH2 . 6854 1 457 . 1 1 39 39 TRP CA C 13 54.668 0.400 . 1 . . . . 39 TRP CA . 6854 1 458 . 1 1 39 39 TRP CB C 13 30.993 0.400 . 1 . . . . 39 TRP CB . 6854 1 459 . 1 1 39 39 TRP N N 15 125.576 0.400 . 1 . . . . 39 TRP N . 6854 1 460 . 1 1 39 39 TRP NE1 N 15 129.829 0.400 . 1 . . . . 39 TRP NE1 . 6854 1 461 . 1 1 40 40 ARG H H 1 8.736 0.020 . 1 . . . . 40 ARG H . 6854 1 462 . 1 1 40 40 ARG HA H 1 4.481 0.020 . 1 . . . . 40 ARG HA . 6854 1 463 . 1 1 40 40 ARG HB2 H 1 1.443 0.020 . 2 . . . . 40 ARG HB2 . 6854 1 464 . 1 1 40 40 ARG HB3 H 1 1.718 0.020 . 2 . . . . 40 ARG HB3 . 6854 1 465 . 1 1 40 40 ARG HG2 H 1 0.764 0.020 . 2 . . . . 40 ARG HG2 . 6854 1 466 . 1 1 40 40 ARG HG3 H 1 1.173 0.020 . 2 . . . . 40 ARG HG3 . 6854 1 467 . 1 1 40 40 ARG HD2 H 1 2.972 0.020 . 1 . . . . 40 ARG HD2 . 6854 1 468 . 1 1 40 40 ARG HD3 H 1 2.972 0.020 . 1 . . . . 40 ARG HD3 . 6854 1 469 . 1 1 40 40 ARG CA C 13 55.637 0.400 . 1 . . . . 40 ARG CA . 6854 1 470 . 1 1 40 40 ARG CB C 13 32.658 0.400 . 1 . . . . 40 ARG CB . 6854 1 471 . 1 1 40 40 ARG CG C 13 28.750 0.400 . 1 . . . . 40 ARG CG . 6854 1 472 . 1 1 40 40 ARG CD C 13 43.620 0.400 . 1 . . . . 40 ARG CD . 6854 1 473 . 1 1 40 40 ARG N N 15 124.291 0.400 . 1 . . . . 40 ARG N . 6854 1 474 . 1 1 41 41 VAL H H 1 9.233 0.020 . 1 . . . . 41 VAL H . 6854 1 475 . 1 1 41 41 VAL HA H 1 5.526 0.020 . 1 . . . . 41 VAL HA . 6854 1 476 . 1 1 41 41 VAL HB H 1 2.125 0.020 . 1 . . . . 41 VAL HB . 6854 1 477 . 1 1 41 41 VAL HG11 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1 478 . 1 1 41 41 VAL HG12 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1 479 . 1 1 41 41 VAL HG13 H 1 0.850 0.020 . 1 . . . . 41 VAL HG1 . 6854 1 480 . 1 1 41 41 VAL HG21 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1 481 . 1 1 41 41 VAL HG22 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1 482 . 1 1 41 41 VAL HG23 H 1 0.833 0.020 . 1 . . . . 41 VAL HG2 . 6854 1 483 . 1 1 41 41 VAL CA C 13 58.951 0.400 . 1 . . . . 41 VAL CA . 6854 1 484 . 1 1 41 41 VAL CB C 13 37.009 0.400 . 1 . . . . 41 VAL CB . 6854 1 485 . 1 1 41 41 VAL CG1 C 13 19.708 0.400 . 1 . . . . 41 VAL CG1 . 6854 1 486 . 1 1 41 41 VAL CG2 C 13 21.640 0.400 . 1 . . . . 41 VAL CG2 . 6854 1 487 . 1 1 41 41 VAL N N 15 121.443 0.400 . 1 . . . . 41 VAL N . 6854 1 488 . 1 1 42 42 ARG H H 1 9.223 0.020 . 1 . . . . 42 ARG H . 6854 1 489 . 1 1 42 42 ARG HA H 1 5.512 0.020 . 1 . . . . 42 ARG HA . 6854 1 490 . 1 1 42 42 ARG HB2 H 1 1.913 0.020 . 2 . . . . 42 ARG HB2 . 6854 1 491 . 1 1 42 42 ARG HB3 H 1 1.648 0.020 . 2 . . . . 42 ARG HB3 . 6854 1 492 . 1 1 42 42 ARG HG2 H 1 1.403 0.020 . 2 . . . . 42 ARG HG2 . 6854 1 493 . 1 1 42 42 ARG HG3 H 1 2.088 0.020 . 2 . . . . 42 ARG HG3 . 6854 1 494 . 1 1 42 42 ARG HD2 H 1 3.062 0.020 . 2 . . . . 42 ARG HD2 . 6854 1 495 . 1 1 42 42 ARG HD3 H 1 3.122 0.020 . 2 . . . . 42 ARG HD3 . 6854 1 496 . 1 1 42 42 ARG CA C 13 53.881 0.400 . 1 . . . . 42 ARG CA . 6854 1 497 . 1 1 42 42 ARG CB C 13 35.682 0.400 . 1 . . . . 42 ARG CB . 6854 1 498 . 1 1 42 42 ARG CG C 13 27.728 0.400 . 1 . . . . 42 ARG CG . 6854 1 499 . 1 1 42 42 ARG CD C 13 43.841 0.400 . 1 . . . . 42 ARG CD . 6854 1 500 . 1 1 42 42 ARG N N 15 119.840 0.400 . 1 . . . . 42 ARG N . 6854 1 501 . 1 1 43 43 ASN H H 1 8.729 0.020 . 1 . . . . 43 ASN H . 6854 1 502 . 1 1 43 43 ASN HA H 1 5.410 0.020 . 1 . . . . 43 ASN HA . 6854 1 503 . 1 1 43 43 ASN HB2 H 1 2.902 0.020 . 2 . . . . 43 ASN HB2 . 6854 1 504 . 1 1 43 43 ASN HB3 H 1 3.786 0.020 . 2 . . . . 43 ASN HB3 . 6854 1 505 . 1 1 43 43 ASN HD21 H 1 6.688 0.020 . 2 . . . . 43 ASN HD21 . 6854 1 506 . 1 1 43 43 ASN HD22 H 1 7.482 0.020 . 2 . . . . 43 ASN HD22 . 6854 1 507 . 1 1 43 43 ASN CA C 13 50.885 0.400 . 1 . . . . 43 ASN CA . 6854 1 508 . 1 1 43 43 ASN CB C 13 41.061 0.400 . 1 . . . . 43 ASN CB . 6854 1 509 . 1 1 43 43 ASN N N 15 123.158 0.400 . 1 . . . . 43 ASN N . 6854 1 510 . 1 1 43 43 ASN ND2 N 15 113.225 0.400 . 1 . . . . 43 ASN ND2 . 6854 1 511 . 1 1 44 44 ALA H H 1 9.498 0.020 . 1 . . . . 44 ALA H . 6854 1 512 . 1 1 44 44 ALA HA H 1 4.202 0.020 . 1 . . . . 44 ALA HA . 6854 1 513 . 1 1 44 44 ALA HB1 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1 514 . 1 1 44 44 ALA HB2 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1 515 . 1 1 44 44 ALA HB3 H 1 1.678 0.020 . 1 . . . . 44 ALA HB . 6854 1 516 . 1 1 44 44 ALA CA C 13 54.994 0.400 . 1 . . . . 44 ALA CA . 6854 1 517 . 1 1 44 44 ALA CB C 13 18.566 0.400 . 1 . . . . 44 ALA CB . 6854 1 518 . 1 1 44 44 ALA N N 15 121.832 0.400 . 1 . . . . 44 ALA N . 6854 1 519 . 1 1 45 45 ALA H H 1 7.578 0.020 . 1 . . . . 45 ALA H . 6854 1 520 . 1 1 45 45 ALA HA H 1 4.450 0.020 . 1 . . . . 45 ALA HA . 6854 1 521 . 1 1 45 45 ALA HB1 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1 522 . 1 1 45 45 ALA HB2 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1 523 . 1 1 45 45 ALA HB3 H 1 1.449 0.020 . 1 . . . . 45 ALA HB . 6854 1 524 . 1 1 45 45 ALA CA C 13 51.888 0.400 . 1 . . . . 45 ALA CA . 6854 1 525 . 1 1 45 45 ALA CB C 13 18.105 0.400 . 1 . . . . 45 ALA CB . 6854 1 526 . 1 1 45 45 ALA N N 15 120.287 0.400 . 1 . . . . 45 ALA N . 6854 1 527 . 1 1 46 46 ASN H H 1 8.374 0.020 . 1 . . . . 46 ASN H . 6854 1 528 . 1 1 46 46 ASN HA H 1 4.154 0.020 . 1 . . . . 46 ASN HA . 6854 1 529 . 1 1 46 46 ASN HB2 H 1 3.136 0.020 . 2 . . . . 46 ASN HB2 . 6854 1 530 . 1 1 46 46 ASN HB3 H 1 2.941 0.020 . 2 . . . . 46 ASN HB3 . 6854 1 531 . 1 1 46 46 ASN HD21 H 1 6.744 0.020 . 2 . . . . 46 ASN HD21 . 6854 1 532 . 1 1 46 46 ASN HD22 H 1 7.497 0.020 . 2 . . . . 46 ASN HD22 . 6854 1 533 . 1 1 46 46 ASN CA C 13 55.103 0.400 . 1 . . . . 46 ASN CA . 6854 1 534 . 1 1 46 46 ASN CB C 13 37.350 0.400 . 1 . . . . 46 ASN CB . 6854 1 535 . 1 1 46 46 ASN N N 15 112.902 0.400 . 1 . . . . 46 ASN N . 6854 1 536 . 1 1 46 46 ASN ND2 N 15 112.563 0.400 . 1 . . . . 46 ASN ND2 . 6854 1 537 . 1 1 47 47 ARG H H 1 8.222 0.020 . 1 . . . . 47 ARG H . 6854 1 538 . 1 1 47 47 ARG HA H 1 4.536 0.020 . 1 . . . . 47 ARG HA . 6854 1 539 . 1 1 47 47 ARG HB2 H 1 1.603 0.020 . 2 . . . . 47 ARG HB2 . 6854 1 540 . 1 1 47 47 ARG HB3 H 1 1.803 0.020 . 2 . . . . 47 ARG HB3 . 6854 1 541 . 1 1 47 47 ARG HG3 H 1 1.765 0.020 . 2 . . . . 47 ARG HG3 . 6854 1 542 . 1 1 47 47 ARG HD2 H 1 3.242 0.020 . 1 . . . . 47 ARG HD2 . 6854 1 543 . 1 1 47 47 ARG HD3 H 1 3.242 0.020 . 1 . . . . 47 ARG HD3 . 6854 1 544 . 1 1 47 47 ARG CA C 13 55.870 0.400 . 1 . . . . 47 ARG CA . 6854 1 545 . 1 1 47 47 ARG CB C 13 31.208 0.400 . 1 . . . . 47 ARG CB . 6854 1 546 . 1 1 47 47 ARG CG C 13 28.090 0.400 . 1 . . . . 47 ARG CG . 6854 1 547 . 1 1 47 47 ARG CD C 13 43.620 0.400 . 1 . . . . 47 ARG CD . 6854 1 548 . 1 1 47 47 ARG N N 15 120.694 0.400 . 1 . . . . 47 ARG N . 6854 1 549 . 1 1 48 48 THR H H 1 8.326 0.020 . 1 . . . . 48 THR H . 6854 1 550 . 1 1 48 48 THR HA H 1 5.666 0.020 . 1 . . . . 48 THR HA . 6854 1 551 . 1 1 48 48 THR HB H 1 3.882 0.020 . 1 . . . . 48 THR HB . 6854 1 552 . 1 1 48 48 THR HG21 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1 553 . 1 1 48 48 THR HG22 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1 554 . 1 1 48 48 THR HG23 H 1 1.047 0.020 . 1 . . . . 48 THR HG2 . 6854 1 555 . 1 1 48 48 THR CA C 13 59.713 0.400 . 1 . . . . 48 THR CA . 6854 1 556 . 1 1 48 48 THR CB C 13 72.010 0.400 . 1 . . . . 48 THR CB . 6854 1 557 . 1 1 48 48 THR CG2 C 13 21.639 0.400 . 1 . . . . 48 THR CG2 . 6854 1 558 . 1 1 48 48 THR N N 15 113.797 0.400 . 1 . . . . 48 THR N . 6854 1 559 . 1 1 49 49 GLY H H 1 8.689 0.020 . 1 . . . . 49 GLY H . 6854 1 560 . 1 1 49 49 GLY HA2 H 1 3.886 0.020 . 2 . . . . 49 GLY HA2 . 6854 1 561 . 1 1 49 49 GLY HA3 H 1 4.092 0.020 . 2 . . . . 49 GLY HA3 . 6854 1 562 . 1 1 49 49 GLY CA C 13 45.375 0.400 . 1 . . . . 49 GLY CA . 6854 1 563 . 1 1 49 49 GLY N N 15 108.356 0.400 . 1 . . . . 49 GLY N . 6854 1 564 . 1 1 50 50 TYR H H 1 9.006 0.020 . 1 . . . . 50 TYR H . 6854 1 565 . 1 1 50 50 TYR HA H 1 5.732 0.020 . 1 . . . . 50 TYR HA . 6854 1 566 . 1 1 50 50 TYR HB2 H 1 3.071 0.020 . 2 . . . . 50 TYR HB2 . 6854 1 567 . 1 1 50 50 TYR HB3 H 1 2.652 0.020 . 2 . . . . 50 TYR HB3 . 6854 1 568 . 1 1 50 50 TYR HD1 H 1 7.024 0.020 . 1 . . . . 50 TYR HD1 . 6854 1 569 . 1 1 50 50 TYR HE1 H 1 6.900 0.020 . 1 . . . . 50 TYR HE1 . 6854 1 570 . 1 1 50 50 TYR CA C 13 58.579 0.400 . 1 . . . . 50 TYR CA . 6854 1 571 . 1 1 50 50 TYR CB C 13 42.120 0.400 . 1 . . . . 50 TYR CB . 6854 1 572 . 1 1 50 50 TYR N N 15 118.419 0.400 . 1 . . . . 50 TYR N . 6854 1 573 . 1 1 51 51 VAL H H 1 9.093 0.020 . 1 . . . . 51 VAL H . 6854 1 574 . 1 1 51 51 VAL HA H 1 4.788 0.020 . 1 . . . . 51 VAL HA . 6854 1 575 . 1 1 51 51 VAL HB H 1 1.747 0.020 . 1 . . . . 51 VAL HB . 6854 1 576 . 1 1 51 51 VAL HG11 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1 577 . 1 1 51 51 VAL HG12 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1 578 . 1 1 51 51 VAL HG13 H 1 0.684 0.020 . 1 . . . . 51 VAL HG1 . 6854 1 579 . 1 1 51 51 VAL HG21 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1 580 . 1 1 51 51 VAL HG22 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1 581 . 1 1 51 51 VAL HG23 H 1 1.057 0.020 . 1 . . . . 51 VAL HG2 . 6854 1 582 . 1 1 51 51 VAL CA C 13 57.744 0.400 . 1 . . . . 51 VAL CA . 6854 1 583 . 1 1 51 51 VAL CB C 13 33.632 0.400 . 1 . . . . 51 VAL CB . 6854 1 584 . 1 1 51 51 VAL CG1 C 13 18.557 0.400 . 1 . . . . 51 VAL CG1 . 6854 1 585 . 1 1 51 51 VAL CG2 C 13 23.456 0.400 . 1 . . . . 51 VAL CG2 . 6854 1 586 . 1 1 51 51 VAL N N 15 111.975 0.400 . 1 . . . . 51 VAL N . 6854 1 587 . 1 1 52 52 PRO HA H 1 3.253 0.020 . 1 . . . . 52 PRO HA . 6854 1 588 . 1 1 52 52 PRO HB2 H 1 1.448 0.020 . 2 . . . . 52 PRO HB2 . 6854 1 589 . 1 1 52 52 PRO HB3 H 1 1.353 0.020 . 2 . . . . 52 PRO HB3 . 6854 1 590 . 1 1 52 52 PRO HG2 H 1 0.629 0.020 . 2 . . . . 52 PRO HG2 . 6854 1 591 . 1 1 52 52 PRO HG3 H 1 0.344 0.020 . 2 . . . . 52 PRO HG3 . 6854 1 592 . 1 1 52 52 PRO HD2 H 1 2.330 0.020 . 2 . . . . 52 PRO HD2 . 6854 1 593 . 1 1 52 52 PRO HD3 H 1 2.053 0.020 . 2 . . . . 52 PRO HD3 . 6854 1 594 . 1 1 52 52 PRO CA C 13 62.599 0.400 . 1 . . . . 52 PRO CA . 6854 1 595 . 1 1 52 52 PRO CB C 13 30.719 0.400 . 1 . . . . 52 PRO CB . 6854 1 596 . 1 1 52 52 PRO CG C 13 27.356 0.400 . 1 . . . . 52 PRO CG . 6854 1 597 . 1 1 52 52 PRO CD C 13 49.681 0.400 . 1 . . . . 52 PRO CD . 6854 1 598 . 1 1 53 53 SER H H 1 7.821 0.020 . 1 . . . . 53 SER H . 6854 1 599 . 1 1 53 53 SER HA H 1 2.522 0.020 . 1 . . . . 53 SER HA . 6854 1 600 . 1 1 53 53 SER HB2 H 1 2.078 0.020 . 2 . . . . 53 SER HB2 . 6854 1 601 . 1 1 53 53 SER HB3 H 1 2.230 0.020 . 2 . . . . 53 SER HB3 . 6854 1 602 . 1 1 53 53 SER CA C 13 61.236 0.400 . 1 . . . . 53 SER CA . 6854 1 603 . 1 1 53 53 SER CB C 13 60.298 0.400 . 1 . . . . 53 SER CB . 6854 1 604 . 1 1 53 53 SER N N 15 118.743 0.400 . 1 . . . . 53 SER N . 6854 1 605 . 1 1 54 54 ASN HA H 1 4.436 0.020 . 1 . . . . 54 ASN HA . 6854 1 606 . 1 1 54 54 ASN HB2 H 1 2.902 0.020 . 2 . . . . 54 ASN HB2 . 6854 1 607 . 1 1 54 54 ASN HB3 H 1 2.669 0.020 . 2 . . . . 54 ASN HB3 . 6854 1 608 . 1 1 54 54 ASN HD21 H 1 7.646 0.020 . 2 . . . . 54 ASN HD21 . 6854 1 609 . 1 1 54 54 ASN HD22 H 1 6.806 0.020 . 2 . . . . 54 ASN HD22 . 6854 1 610 . 1 1 54 54 ASN CA C 13 54.130 0.400 . 1 . . . . 54 ASN CA . 6854 1 611 . 1 1 54 54 ASN CB C 13 36.912 0.400 . 1 . . . . 54 ASN CB . 6854 1 612 . 1 1 54 54 ASN ND2 N 15 113.254 0.400 . 1 . . . . 54 ASN ND2 . 6854 1 613 . 1 1 55 55 TYR H H 1 7.897 0.020 . 1 . . . . 55 TYR H . 6854 1 614 . 1 1 55 55 TYR HA H 1 4.379 0.020 . 1 . . . . 55 TYR HA . 6854 1 615 . 1 1 55 55 TYR HB2 H 1 3.208 0.020 . 2 . . . . 55 TYR HB2 . 6854 1 616 . 1 1 55 55 TYR HB3 H 1 3.024 0.020 . 2 . . . . 55 TYR HB3 . 6854 1 617 . 1 1 55 55 TYR HD1 H 1 7.161 0.020 . 1 . . . . 55 TYR HD1 . 6854 1 618 . 1 1 55 55 TYR HE1 H 1 7.083 0.020 . 1 . . . . 55 TYR HE1 . 6854 1 619 . 1 1 55 55 TYR CA C 13 59.808 0.400 . 1 . . . . 55 TYR CA . 6854 1 620 . 1 1 55 55 TYR CB C 13 38.735 0.400 . 1 . . . . 55 TYR CB . 6854 1 621 . 1 1 55 55 TYR N N 15 118.191 0.400 . 1 . . . . 55 TYR N . 6854 1 622 . 1 1 56 56 VAL H H 1 7.226 0.020 . 1 . . . . 56 VAL H . 6854 1 623 . 1 1 56 56 VAL HA H 1 5.067 0.020 . 1 . . . . 56 VAL HA . 6854 1 624 . 1 1 56 56 VAL HB H 1 1.813 0.020 . 1 . . . . 56 VAL HB . 6854 1 625 . 1 1 56 56 VAL HG11 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1 626 . 1 1 56 56 VAL HG12 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1 627 . 1 1 56 56 VAL HG13 H 1 0.722 0.020 . 1 . . . . 56 VAL HG1 . 6854 1 628 . 1 1 56 56 VAL HG21 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1 629 . 1 1 56 56 VAL HG22 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1 630 . 1 1 56 56 VAL HG23 H 1 0.669 0.020 . 1 . . . . 56 VAL HG2 . 6854 1 631 . 1 1 56 56 VAL CA C 13 58.700 0.400 . 1 . . . . 56 VAL CA . 6854 1 632 . 1 1 56 56 VAL CB C 13 35.733 0.400 . 1 . . . . 56 VAL CB . 6854 1 633 . 1 1 56 56 VAL CG1 C 13 19.826 0.400 . 1 . . . . 56 VAL CG1 . 6854 1 634 . 1 1 56 56 VAL CG2 C 13 22.260 0.400 . 1 . . . . 56 VAL CG2 . 6854 1 635 . 1 1 56 56 VAL N N 15 111.148 0.400 . 1 . . . . 56 VAL N . 6854 1 636 . 1 1 57 57 GLU H H 1 8.581 0.020 . 1 . . . . 57 GLU H . 6854 1 637 . 1 1 57 57 GLU HA H 1 4.717 0.020 . 1 . . . . 57 GLU HA . 6854 1 638 . 1 1 57 57 GLU HG2 H 1 2.063 0.020 . 1 . . . . 57 GLU HG2 . 6854 1 639 . 1 1 57 57 GLU HG3 H 1 2.063 0.020 . 1 . . . . 57 GLU HG3 . 6854 1 640 . 1 1 57 57 GLU CA C 13 54.528 0.400 . 1 . . . . 57 GLU CA . 6854 1 641 . 1 1 57 57 GLU CB C 13 33.556 0.400 . 1 . . . . 57 GLU CB . 6854 1 642 . 1 1 57 57 GLU CG C 13 36.228 0.400 . 1 . . . . 57 GLU CG . 6854 1 643 . 1 1 57 57 GLU N N 15 118.908 0.400 . 1 . . . . 57 GLU N . 6854 1 644 . 1 1 58 58 ARG H H 1 8.979 0.020 . 1 . . . . 58 ARG H . 6854 1 645 . 1 1 58 58 ARG HA H 1 4.493 0.020 . 1 . . . . 58 ARG HA . 6854 1 646 . 1 1 58 58 ARG HB2 H 1 1.713 0.020 . 2 . . . . 58 ARG HB2 . 6854 1 647 . 1 1 58 58 ARG HB3 H 1 1.893 0.020 . 2 . . . . 58 ARG HB3 . 6854 1 648 . 1 1 58 58 ARG HD3 H 1 3.122 0.020 . 2 . . . . 58 ARG HD3 . 6854 1 649 . 1 1 58 58 ARG CA C 13 56.811 0.400 . 1 . . . . 58 ARG CA . 6854 1 650 . 1 1 58 58 ARG CB C 13 31.483 0.400 . 1 . . . . 58 ARG CB . 6854 1 651 . 1 1 58 58 ARG CG C 13 28.393 0.400 . 1 . . . . 58 ARG CG . 6854 1 652 . 1 1 58 58 ARG CD C 13 43.915 0.400 . 1 . . . . 58 ARG CD . 6854 1 653 . 1 1 58 58 ARG N N 15 124.734 0.400 . 1 . . . . 58 ARG N . 6854 1 654 . 1 1 59 59 LYS H H 1 8.520 0.020 . 1 . . . . 59 LYS H . 6854 1 655 . 1 1 59 59 LYS CA C 13 56.435 0.400 . 1 . . . . 59 LYS CA . 6854 1 656 . 1 1 59 59 LYS CB C 13 33.407 0.400 . 1 . . . . 59 LYS CB . 6854 1 657 . 1 1 59 59 LYS N N 15 124.952 0.400 . 1 . . . . 59 LYS N . 6854 1 stop_ save_