data_6963 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6963 _Entry.Title ; 1H Chemical Shift Assignments for the Second Kunitz domain of human WFIKKN1, Pro61 in cis- or trans- conformation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-30 _Entry.Accession_date 2006-02-01 _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 Edvards Liepinsh . . . 6963 2 Gottfried Otting . . . 6963 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6963 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 820 6963 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 . . 2007-11-16 2006-02-01 update BMRB 'complete entry citation' 6963 1 . . 2006-06-28 2006-02-01 original author 'original release' 6963 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DDI 'BMRB Entry Tracking System' 6963 PDB 2DDJ 'BMRB Entry Tracking System' 6963 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6963 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16791741 _Citation.Full_citation . _Citation.Title 'Second Kunitz-type protease inhibitor domain of the human WFIKKN1 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 78 _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 Edvards Liepinsh . . . 6963 1 2 Alinda Nagy . . . 6963 1 3 Maria Trexler . . . 6963 1 4 Laszlo Patthy . . . 6963 1 5 Gottfried Otting . . . 6963 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Kunitz domain' 6963 1 NMR 6963 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6963 _Assembly.ID 1 _Assembly.Name 'Second Kunitz domain of human WFIKKN1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 7868 _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 'Second Kunitz domain of human WFIKKN1, cis-conformer' 1 $second_Kunitz_domain . . no native yes yes . . 'conformer with Pro61 in cis conformation' 6963 1 2 'Second Kunitz domain of human WFIKKN1, trans-conformer' 1 $second_Kunitz_domain . . no native yes yes . . 'conformer with Pro61 in trans conformation' 6963 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'trypsin inhibitor' 6963 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_second_Kunitz_domain _Entity.Sf_category entity _Entity.Sf_framecode second_Kunitz_domain _Entity.Entry_ID 6963 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'second Kunitz domain' _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 ; EAEAEFTDACVLPAVQGPCR GWEPRWAYSPLLQQCHPFVY GGCEGNGNNFHSRESCEDAC PVVDHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 to 70' _Entity.Polymer_author_seq_details ; Asp8 in our numbering corresponds to Asp157 in the GB entry AF422194. Val62 in our numbering corresponds to Val411 in the GB entry AF422194. The first 7 and last 8 residues of our construct were not part of the natural amino acid sequence. ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'trypsin inhibitor' 6963 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 . GLU . 6963 1 2 . ALA . 6963 1 3 . GLU . 6963 1 4 . ALA . 6963 1 5 . GLU . 6963 1 6 . PHE . 6963 1 7 . THR . 6963 1 8 . ASP . 6963 1 9 . ALA . 6963 1 10 . CYS . 6963 1 11 . VAL . 6963 1 12 . LEU . 6963 1 13 . PRO . 6963 1 14 . ALA . 6963 1 15 . VAL . 6963 1 16 . GLN . 6963 1 17 . GLY . 6963 1 18 . PRO . 6963 1 19 . CYS . 6963 1 20 . ARG . 6963 1 21 . GLY . 6963 1 22 . TRP . 6963 1 23 . GLU . 6963 1 24 . PRO . 6963 1 25 . ARG . 6963 1 26 . TRP . 6963 1 27 . ALA . 6963 1 28 . TYR . 6963 1 29 . SER . 6963 1 30 . PRO . 6963 1 31 . LEU . 6963 1 32 . LEU . 6963 1 33 . GLN . 6963 1 34 . GLN . 6963 1 35 . CYS . 6963 1 36 . HIS . 6963 1 37 . PRO . 6963 1 38 . PHE . 6963 1 39 . VAL . 6963 1 40 . TYR . 6963 1 41 . GLY . 6963 1 42 . GLY . 6963 1 43 . CYS . 6963 1 44 . GLU . 6963 1 45 . GLY . 6963 1 46 . ASN . 6963 1 47 . GLY . 6963 1 48 . ASN . 6963 1 49 . ASN . 6963 1 50 . PHE . 6963 1 51 . HIS . 6963 1 52 . SER . 6963 1 53 . ARG . 6963 1 54 . GLU . 6963 1 55 . SER . 6963 1 56 . CYS . 6963 1 57 . GLU . 6963 1 58 . ASP . 6963 1 59 . ALA . 6963 1 60 . CYS . 6963 1 61 . PRO . 6963 1 62 . VAL . 6963 1 63 . VAL . 6963 1 64 . ASP . 6963 1 65 . HIS . 6963 1 66 . HIS . 6963 1 67 . HIS . 6963 1 68 . HIS . 6963 1 69 . HIS . 6963 1 70 . HIS . 6963 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 . GLU 1 1 6963 1 . ALA 2 2 6963 1 . GLU 3 3 6963 1 . ALA 4 4 6963 1 . GLU 5 5 6963 1 . PHE 6 6 6963 1 . THR 7 7 6963 1 . ASP 8 8 6963 1 . ALA 9 9 6963 1 . CYS 10 10 6963 1 . VAL 11 11 6963 1 . LEU 12 12 6963 1 . PRO 13 13 6963 1 . ALA 14 14 6963 1 . VAL 15 15 6963 1 . GLN 16 16 6963 1 . GLY 17 17 6963 1 . PRO 18 18 6963 1 . CYS 19 19 6963 1 . ARG 20 20 6963 1 . GLY 21 21 6963 1 . TRP 22 22 6963 1 . GLU 23 23 6963 1 . PRO 24 24 6963 1 . ARG 25 25 6963 1 . TRP 26 26 6963 1 . ALA 27 27 6963 1 . TYR 28 28 6963 1 . SER 29 29 6963 1 . PRO 30 30 6963 1 . LEU 31 31 6963 1 . LEU 32 32 6963 1 . GLN 33 33 6963 1 . GLN 34 34 6963 1 . CYS 35 35 6963 1 . HIS 36 36 6963 1 . PRO 37 37 6963 1 . PHE 38 38 6963 1 . VAL 39 39 6963 1 . TYR 40 40 6963 1 . GLY 41 41 6963 1 . GLY 42 42 6963 1 . CYS 43 43 6963 1 . GLU 44 44 6963 1 . GLY 45 45 6963 1 . ASN 46 46 6963 1 . GLY 47 47 6963 1 . ASN 48 48 6963 1 . ASN 49 49 6963 1 . PHE 50 50 6963 1 . HIS 51 51 6963 1 . SER 52 52 6963 1 . ARG 53 53 6963 1 . GLU 54 54 6963 1 . SER 55 55 6963 1 . CYS 56 56 6963 1 . GLU 57 57 6963 1 . ASP 58 58 6963 1 . ALA 59 59 6963 1 . CYS 60 60 6963 1 . PRO 61 61 6963 1 . VAL 62 62 6963 1 . VAL 63 63 6963 1 . ASP 64 64 6963 1 . HIS 65 65 6963 1 . HIS 66 66 6963 1 . HIS 67 67 6963 1 . HIS 68 68 6963 1 . HIS 69 69 6963 1 . HIS 70 70 6963 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 6963 _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 $second_Kunitz_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6963 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $second_Kunitz_domain . 'gene bank' . AF422194 . . . . 6963 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 6963 _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 $second_Kunitz_domain . 'recombinant technology' . 'Pichia pastoris' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6963 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6963 _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 'second Kunitz domain' none . . 1 $second_Kunitz_domain . protein 1.1 1.0 1.2 mM 0.1 . . . 6963 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 6963 _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 4.5 0.1 pH 6963 1 temperature 298 0.5 K 6963 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6963 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX-600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6963 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Inova 800' _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 6963 _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 NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6963 1 2 TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6963 1 3 DQF-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6963 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 6963 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6963 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 6963 _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 0.02 _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 NOESY 1 $sample_1 isotropic 6963 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 GLU HA H 1 3.969 0.02 . 1 . . . . 1 GLU HA . 6963 1 2 . 1 1 1 1 GLU HB2 H 1 2.004 0.02 . 2 . . . . 1 GLU HB2 . 6963 1 3 . 1 1 1 1 GLU HB3 H 1 2.058 0.02 . 2 . . . . 1 GLU HB3 . 6963 1 4 . 1 1 1 1 GLU HG2 H 1 2.347 0.02 . 1 . . . . 1 GLU HG2 . 6963 1 5 . 1 1 1 1 GLU HG3 H 1 2.347 0.02 . 1 . . . . 1 GLU HG3 . 6963 1 6 . 1 1 2 2 ALA H H 1 8.688 0.02 . 1 . . . . 2 ALA H . 6963 1 7 . 1 1 2 2 ALA HA H 1 4.242 0.02 . 1 . . . . 2 ALA HA . 6963 1 8 . 1 1 2 2 ALA HB1 H 1 1.270 0.02 . 1 . . . . 2 ALA HB . 6963 1 9 . 1 1 2 2 ALA HB2 H 1 1.270 0.02 . 1 . . . . 2 ALA HB . 6963 1 10 . 1 1 2 2 ALA HB3 H 1 1.270 0.02 . 1 . . . . 2 ALA HB . 6963 1 11 . 1 1 3 3 GLU H H 1 8.414 0.02 . 1 . . . . 3 GLU H . 6963 1 12 . 1 1 3 3 GLU HA H 1 4.182 0.02 . 1 . . . . 3 GLU HA . 6963 1 13 . 1 1 3 3 GLU HB2 H 1 1.822 0.02 . 2 . . . . 3 GLU HB2 . 6963 1 14 . 1 1 3 3 GLU HB3 H 1 1.883 0.02 . 2 . . . . 3 GLU HB3 . 6963 1 15 . 1 1 3 3 GLU HG2 H 1 2.137 0.02 . 2 . . . . 3 GLU HG2 . 6963 1 16 . 1 1 3 3 GLU HG3 H 1 2.216 0.02 . 2 . . . . 3 GLU HG3 . 6963 1 17 . 1 1 4 4 ALA H H 1 8.295 0.02 . 1 . . . . 4 ALA H . 6963 1 18 . 1 1 4 4 ALA HA H 1 4.193 0.02 . 1 . . . . 4 ALA HA . 6963 1 19 . 1 1 4 4 ALA HB1 H 1 1.263 0.02 . 1 . . . . 4 ALA HB . 6963 1 20 . 1 1 4 4 ALA HB2 H 1 1.263 0.02 . 1 . . . . 4 ALA HB . 6963 1 21 . 1 1 4 4 ALA HB3 H 1 1.263 0.02 . 1 . . . . 4 ALA HB . 6963 1 22 . 1 1 5 5 GLU H H 1 8.363 0.02 . 1 . . . . 5 GLU H . 6963 1 23 . 1 1 5 5 GLU HA H 1 4.187 0.02 . 1 . . . . 5 GLU HA . 6963 1 24 . 1 1 5 5 GLU HB2 H 1 1.796 0.02 . 2 . . . . 5 GLU HB2 . 6963 1 25 . 1 1 5 5 GLU HB3 H 1 1.865 0.02 . 2 . . . . 5 GLU HB3 . 6963 1 26 . 1 1 5 5 GLU HG2 H 1 2.128 0.02 . 2 . . . . 5 GLU HG2 . 6963 1 27 . 1 1 5 5 GLU HG3 H 1 2.207 0.02 . 2 . . . . 5 GLU HG3 . 6963 1 28 . 1 1 6 6 PHE H H 1 8.257 0.02 . 1 . . . . 6 PHE H . 6963 1 29 . 1 1 6 6 PHE HA H 1 4.628 0.02 . 1 . . . . 6 PHE HA . 6963 1 30 . 1 1 6 6 PHE HB2 H 1 2.948 0.02 . 1 . . . . 6 PHE HB2 . 6963 1 31 . 1 1 6 6 PHE HB3 H 1 3.080 0.02 . 1 . . . . 6 PHE HB3 . 6963 1 32 . 1 1 6 6 PHE HD1 H 1 7.150 0.02 . 1 . . . . 6 PHE HD1 . 6963 1 33 . 1 1 6 6 PHE HD2 H 1 7.150 0.02 . 1 . . . . 6 PHE HD2 . 6963 1 34 . 1 1 6 6 PHE HE1 H 1 7.250 0.02 . 1 . . . . 6 PHE HE1 . 6963 1 35 . 1 1 6 6 PHE HE2 H 1 7.250 0.02 . 1 . . . . 6 PHE HE2 . 6963 1 36 . 1 1 6 6 PHE HZ H 1 7.192 0.02 . 1 . . . . 6 PHE HZ . 6963 1 37 . 1 1 7 7 THR H H 1 8.023 0.02 . 1 . . . . 7 THR H . 6963 1 38 . 1 1 7 7 THR HA H 1 4.126 0.02 . 1 . . . . 7 THR HA . 6963 1 39 . 1 1 7 7 THR HB H 1 4.005 0.02 . 1 . . . . 7 THR HB . 6963 1 40 . 1 1 7 7 THR HG21 H 1 1.055 0.02 . 1 . . . . 7 THR HG2 . 6963 1 41 . 1 1 7 7 THR HG22 H 1 1.055 0.02 . 1 . . . . 7 THR HG2 . 6963 1 42 . 1 1 7 7 THR HG23 H 1 1.055 0.02 . 1 . . . . 7 THR HG2 . 6963 1 43 . 1 1 8 8 ASP H H 1 8.161 0.02 . 1 . . . . 8 ASP H . 6963 1 44 . 1 1 8 8 ASP HA H 1 4.512 0.02 . 1 . . . . 8 ASP HA . 6963 1 45 . 1 1 8 8 ASP HB2 H 1 2.559 0.02 . 1 . . . . 8 ASP HB2 . 6963 1 46 . 1 1 8 8 ASP HB3 H 1 2.763 0.02 . 1 . . . . 8 ASP HB3 . 6963 1 47 . 1 1 9 9 ALA H H 1 8.533 0.02 . 1 . . . . 9 ALA H . 6963 1 48 . 1 1 9 9 ALA HA H 1 3.932 0.02 . 1 . . . . 9 ALA HA . 6963 1 49 . 1 1 9 9 ALA HB1 H 1 1.201 0.02 . 1 . . . . 9 ALA HB . 6963 1 50 . 1 1 9 9 ALA HB2 H 1 1.201 0.02 . 1 . . . . 9 ALA HB . 6963 1 51 . 1 1 9 9 ALA HB3 H 1 1.201 0.02 . 1 . . . . 9 ALA HB . 6963 1 52 . 1 1 10 10 CYS H H 1 8.142 0.02 . 1 . . . . 10 CYS H . 6963 1 53 . 1 1 10 10 CYS HA H 1 4.180 0.02 . 1 . . . . 10 CYS HA . 6963 1 54 . 1 1 10 10 CYS HB2 H 1 3.258 0.02 . 1 . . . . 10 CYS HB2 . 6963 1 55 . 1 1 10 10 CYS HB3 H 1 2.814 0.02 . 1 . . . . 10 CYS HB3 . 6963 1 56 . 1 1 11 11 VAL H H 1 6.641 0.02 . 1 . . . . 11 VAL H . 6963 1 57 . 1 1 11 11 VAL HA H 1 4.419 0.02 . 1 . . . . 11 VAL HA . 6963 1 58 . 1 1 11 11 VAL HB H 1 2.431 0.02 . 1 . . . . 11 VAL HB . 6963 1 59 . 1 1 11 11 VAL HG11 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 60 . 1 1 11 11 VAL HG12 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 61 . 1 1 11 11 VAL HG13 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 62 . 1 1 11 11 VAL HG21 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 63 . 1 1 11 11 VAL HG22 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 64 . 1 1 11 11 VAL HG23 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 65 . 1 1 12 12 LEU H H 1 7.498 0.02 . 1 . . . . 12 LEU H . 6963 1 66 . 1 1 12 12 LEU HA H 1 4.449 0.02 . 1 . . . . 12 LEU HA . 6963 1 67 . 1 1 12 12 LEU HB2 H 1 1.443 0.02 . 1 . . . . 12 LEU HB2 . 6963 1 68 . 1 1 12 12 LEU HB3 H 1 1.798 0.02 . 1 . . . . 12 LEU HB3 . 6963 1 69 . 1 1 12 12 LEU HG H 1 1.794 0.02 . 1 . . . . 12 LEU HG . 6963 1 70 . 1 1 12 12 LEU HD11 H 1 0.825 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 71 . 1 1 12 12 LEU HD12 H 1 0.825 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 72 . 1 1 12 12 LEU HD13 H 1 0.825 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 73 . 1 1 12 12 LEU HD21 H 1 0.861 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 74 . 1 1 12 12 LEU HD22 H 1 0.861 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 75 . 1 1 12 12 LEU HD23 H 1 0.861 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 76 . 1 1 13 13 PRO HA H 1 4.279 0.02 . 1 . . . . 13 PRO HA . 6963 1 77 . 1 1 13 13 PRO HB2 H 1 1.651 0.02 . 1 . . . . 13 PRO HB2 . 6963 1 78 . 1 1 13 13 PRO HB3 H 1 2.178 0.02 . 1 . . . . 13 PRO HB3 . 6963 1 79 . 1 1 13 13 PRO HG2 H 1 1.795 0.02 . 1 . . . . 13 PRO HG2 . 6963 1 80 . 1 1 13 13 PRO HG3 H 1 1.964 0.02 . 1 . . . . 13 PRO HG3 . 6963 1 81 . 1 1 13 13 PRO HD2 H 1 3.486 0.02 . 1 . . . . 13 PRO HD2 . 6963 1 82 . 1 1 13 13 PRO HD3 H 1 3.716 0.02 . 1 . . . . 13 PRO HD3 . 6963 1 83 . 1 1 14 14 ALA H H 1 7.876 0.02 . 1 . . . . 14 ALA H . 6963 1 84 . 1 1 14 14 ALA HA H 1 4.230 0.02 . 1 . . . . 14 ALA HA . 6963 1 85 . 1 1 14 14 ALA HB1 H 1 0.245 0.02 . 1 . . . . 14 ALA HB . 6963 1 86 . 1 1 14 14 ALA HB2 H 1 0.245 0.02 . 1 . . . . 14 ALA HB . 6963 1 87 . 1 1 14 14 ALA HB3 H 1 0.245 0.02 . 1 . . . . 14 ALA HB . 6963 1 88 . 1 1 15 15 VAL H H 1 7.976 0.02 . 1 . . . . 15 VAL H . 6963 1 89 . 1 1 15 15 VAL HA H 1 4.244 0.02 . 1 . . . . 15 VAL HA . 6963 1 90 . 1 1 15 15 VAL HB H 1 1.792 0.02 . 1 . . . . 15 VAL HB . 6963 1 91 . 1 1 15 15 VAL HG11 H 1 0.956 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 92 . 1 1 15 15 VAL HG12 H 1 0.956 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 93 . 1 1 15 15 VAL HG13 H 1 0.956 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 94 . 1 1 15 15 VAL HG21 H 1 0.818 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 95 . 1 1 15 15 VAL HG22 H 1 0.818 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 96 . 1 1 15 15 VAL HG23 H 1 0.818 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 97 . 1 1 16 16 GLN H H 1 9.008 0.02 . 1 . . . . 16 GLN H . 6963 1 98 . 1 1 16 16 GLN HA H 1 4.608 0.02 . 1 . . . . 16 GLN HA . 6963 1 99 . 1 1 16 16 GLN HB2 H 1 2.230 0.02 . 1 . . . . 16 GLN HB2 . 6963 1 100 . 1 1 16 16 GLN HB3 H 1 2.529 0.02 . 1 . . . . 16 GLN HB3 . 6963 1 101 . 1 1 16 16 GLN HG2 H 1 2.630 0.02 . 1 . . . . 16 GLN HG2 . 6963 1 102 . 1 1 16 16 GLN HG3 H 1 2.630 0.02 . 1 . . . . 16 GLN HG3 . 6963 1 103 . 1 1 16 16 GLN HE21 H 1 7.883 0.02 . 2 . . . . 16 GLN HE21 . 6963 1 104 . 1 1 16 16 GLN HE22 H 1 6.852 0.02 . 2 . . . . 16 GLN HE22 . 6963 1 105 . 1 1 17 17 GLY H H 1 8.531 0.02 . 1 . . . . 17 GLY H . 6963 1 106 . 1 1 17 17 GLY HA2 H 1 4.033 0.02 . 1 . . . . 17 GLY HA2 . 6963 1 107 . 1 1 17 17 GLY HA3 H 1 4.211 0.02 . 1 . . . . 17 GLY HA3 . 6963 1 108 . 1 1 18 18 PRO HA H 1 4.602 0.02 . 1 . . . . 18 PRO HA . 6963 1 109 . 1 1 18 18 PRO HB2 H 1 2.068 0.02 . 1 . . . . 18 PRO HB2 . 6963 1 110 . 1 1 18 18 PRO HB3 H 1 2.007 0.02 . 1 . . . . 18 PRO HB3 . 6963 1 111 . 1 1 18 18 PRO HG2 H 1 1.819 0.02 . 2 . . . . 18 PRO HG2 . 6963 1 112 . 1 1 18 18 PRO HG3 H 1 1.975 0.02 . 2 . . . . 18 PRO HG3 . 6963 1 113 . 1 1 18 18 PRO HD2 H 1 3.516 0.02 . 1 . . . . 18 PRO HD2 . 6963 1 114 . 1 1 18 18 PRO HD3 H 1 3.577 0.02 . 1 . . . . 18 PRO HD3 . 6963 1 115 . 1 1 19 19 CYS H H 1 8.766 0.02 . 1 . . . . 19 CYS H . 6963 1 116 . 1 1 19 19 CYS HA H 1 4.383 0.02 . 1 . . . . 19 CYS HA . 6963 1 117 . 1 1 19 19 CYS HB2 H 1 2.676 0.02 . 1 . . . . 19 CYS HB2 . 6963 1 118 . 1 1 19 19 CYS HB3 H 1 3.158 0.02 . 1 . . . . 19 CYS HB3 . 6963 1 119 . 1 1 20 20 ARG H H 1 7.999 0.02 . 1 . . . . 20 ARG H . 6963 1 120 . 1 1 20 20 ARG HA H 1 3.335 0.02 . 1 . . . . 20 ARG HA . 6963 1 121 . 1 1 20 20 ARG HB2 H 1 1.191 0.02 . 1 . . . . 20 ARG HB2 . 6963 1 122 . 1 1 20 20 ARG HB3 H 1 1.672 0.02 . 1 . . . . 20 ARG HB3 . 6963 1 123 . 1 1 20 20 ARG HG2 H 1 1.290 0.02 . 1 . . . . 20 ARG HG2 . 6963 1 124 . 1 1 20 20 ARG HG3 H 1 1.290 0.02 . 1 . . . . 20 ARG HG3 . 6963 1 125 . 1 1 20 20 ARG HD2 H 1 3.080 0.02 . 1 . . . . 20 ARG HD2 . 6963 1 126 . 1 1 20 20 ARG HD3 H 1 3.080 0.02 . 1 . . . . 20 ARG HD3 . 6963 1 127 . 1 1 20 20 ARG HE H 1 7.099 0.02 . 1 . . . . 20 ARG HE . 6963 1 128 . 1 1 21 21 GLY H H 1 8.021 0.02 . 1 . . . . 21 GLY H . 6963 1 129 . 1 1 21 21 GLY HA2 H 1 4.030 0.02 . 1 . . . . 21 GLY HA2 . 6963 1 130 . 1 1 21 21 GLY HA3 H 1 3.041 0.02 . 1 . . . . 21 GLY HA3 . 6963 1 131 . 1 1 22 22 TRP H H 1 7.004 0.02 . 1 . . . . 22 TRP H . 6963 1 132 . 1 1 22 22 TRP HA H 1 4.535 0.02 . 1 . . . . 22 TRP HA . 6963 1 133 . 1 1 22 22 TRP HB2 H 1 2.853 0.02 . 1 . . . . 22 TRP HB2 . 6963 1 134 . 1 1 22 22 TRP HB3 H 1 3.018 0.02 . 1 . . . . 22 TRP HB3 . 6963 1 135 . 1 1 22 22 TRP HD1 H 1 7.125 0.02 . 1 . . . . 22 TRP HD1 . 6963 1 136 . 1 1 22 22 TRP HE1 H 1 10.092 0.02 . 1 . . . . 22 TRP HE1 . 6963 1 137 . 1 1 22 22 TRP HE3 H 1 7.223 0.02 . 1 . . . . 22 TRP HE3 . 6963 1 138 . 1 1 22 22 TRP HZ2 H 1 7.351 0.02 . 1 . . . . 22 TRP HZ2 . 6963 1 139 . 1 1 22 22 TRP HZ3 H 1 6.877 0.02 . 1 . . . . 22 TRP HZ3 . 6963 1 140 . 1 1 22 22 TRP HH2 H 1 7.092 0.02 . 1 . . . . 22 TRP HH2 . 6963 1 141 . 1 1 23 23 GLU H H 1 8.728 0.02 . 1 . . . . 23 GLU H . 6963 1 142 . 1 1 23 23 GLU HA H 1 4.892 0.02 . 1 . . . . 23 GLU HA . 6963 1 143 . 1 1 23 23 GLU HB2 H 1 2.028 0.02 . 1 . . . . 23 GLU HB2 . 6963 1 144 . 1 1 23 23 GLU HB3 H 1 1.936 0.02 . 1 . . . . 23 GLU HB3 . 6963 1 145 . 1 1 23 23 GLU HG2 H 1 2.174 0.02 . 1 . . . . 23 GLU HG2 . 6963 1 146 . 1 1 23 23 GLU HG3 H 1 2.285 0.02 . 1 . . . . 23 GLU HG3 . 6963 1 147 . 1 1 24 24 PRO HA H 1 4.427 0.02 . 1 . . . . 24 PRO HA . 6963 1 148 . 1 1 24 24 PRO HB2 H 1 1.880 0.02 . 1 . . . . 24 PRO HB2 . 6963 1 149 . 1 1 24 24 PRO HB3 H 1 2.003 0.02 . 1 . . . . 24 PRO HB3 . 6963 1 150 . 1 1 24 24 PRO HG2 H 1 1.888 0.02 . 1 . . . . 24 PRO HG2 . 6963 1 151 . 1 1 24 24 PRO HG3 H 1 2.196 0.02 . 1 . . . . 24 PRO HG3 . 6963 1 152 . 1 1 24 24 PRO HD2 H 1 3.685 0.02 . 1 . . . . 24 PRO HD2 . 6963 1 153 . 1 1 24 24 PRO HD3 H 1 3.742 0.02 . 1 . . . . 24 PRO HD3 . 6963 1 154 . 1 1 25 25 ARG H H 1 8.304 0.02 . 1 . . . . 25 ARG H . 6963 1 155 . 1 1 25 25 ARG HA H 1 4.588 0.02 . 1 . . . . 25 ARG HA . 6963 1 156 . 1 1 25 25 ARG HB2 H 1 0.397 0.02 . 1 . . . . 25 ARG HB2 . 6963 1 157 . 1 1 25 25 ARG HB3 H 1 1.509 0.02 . 1 . . . . 25 ARG HB3 . 6963 1 158 . 1 1 25 25 ARG HG2 H 1 1.139 0.02 . 1 . . . . 25 ARG HG2 . 6963 1 159 . 1 1 25 25 ARG HG3 H 1 1.082 0.02 . 1 . . . . 25 ARG HG3 . 6963 1 160 . 1 1 25 25 ARG HD2 H 1 2.550 0.02 . 1 . . . . 25 ARG HD2 . 6963 1 161 . 1 1 25 25 ARG HD3 H 1 3.247 0.02 . 1 . . . . 25 ARG HD3 . 6963 1 162 . 1 1 25 25 ARG HE H 1 7.214 0.02 . 1 . . . . 25 ARG HE . 6963 1 163 . 1 1 26 26 TRP H H 1 8.802 0.02 . 1 . . . . 26 TRP H . 6963 1 164 . 1 1 26 26 TRP HA H 1 4.974 0.02 . 1 . . . . 26 TRP HA . 6963 1 165 . 1 1 26 26 TRP HB2 H 1 2.614 0.02 . 1 . . . . 26 TRP HB2 . 6963 1 166 . 1 1 26 26 TRP HB3 H 1 2.822 0.02 . 1 . . . . 26 TRP HB3 . 6963 1 167 . 1 1 26 26 TRP HD1 H 1 6.571 0.02 . 1 . . . . 26 TRP HD1 . 6963 1 168 . 1 1 26 26 TRP HE1 H 1 10.165 0.02 . 1 . . . . 26 TRP HE1 . 6963 1 169 . 1 1 26 26 TRP HE3 H 1 6.918 0.02 . 1 . . . . 26 TRP HE3 . 6963 1 170 . 1 1 26 26 TRP HZ2 H 1 7.454 0.02 . 1 . . . . 26 TRP HZ2 . 6963 1 171 . 1 1 26 26 TRP HZ3 H 1 6.950 0.02 . 1 . . . . 26 TRP HZ3 . 6963 1 172 . 1 1 26 26 TRP HH2 H 1 7.227 0.02 . 1 . . . . 26 TRP HH2 . 6963 1 173 . 1 1 27 27 ALA H H 1 8.890 0.02 . 1 . . . . 27 ALA H . 6963 1 174 . 1 1 27 27 ALA HA H 1 4.901 0.02 . 1 . . . . 27 ALA HA . 6963 1 175 . 1 1 27 27 ALA HB1 H 1 0.944 0.02 . 1 . . . . 27 ALA HB . 6963 1 176 . 1 1 27 27 ALA HB2 H 1 0.944 0.02 . 1 . . . . 27 ALA HB . 6963 1 177 . 1 1 27 27 ALA HB3 H 1 0.944 0.02 . 1 . . . . 27 ALA HB . 6963 1 178 . 1 1 28 28 TYR H H 1 10.576 0.02 . 1 . . . . 28 TYR H . 6963 1 179 . 1 1 28 28 TYR HA H 1 4.552 0.02 . 1 . . . . 28 TYR HA . 6963 1 180 . 1 1 28 28 TYR HB2 H 1 2.786 0.02 . 1 . . . . 28 TYR HB2 . 6963 1 181 . 1 1 28 28 TYR HB3 H 1 3.267 0.02 . 1 . . . . 28 TYR HB3 . 6963 1 182 . 1 1 28 28 TYR HD1 H 1 7.305 0.02 . 1 . . . . 28 TYR HD1 . 6963 1 183 . 1 1 28 28 TYR HD2 H 1 7.091 0.02 . 1 . . . . 28 TYR HD2 . 6963 1 184 . 1 1 28 28 TYR HE1 H 1 6.521 0.02 . 1 . . . . 28 TYR HE1 . 6963 1 185 . 1 1 28 28 TYR HE2 H 1 6.366 0.02 . 1 . . . . 28 TYR HE2 . 6963 1 186 . 1 1 29 29 SER H H 1 7.339 0.02 . 1 . . . . 29 SER H . 6963 1 187 . 1 1 29 29 SER HA H 1 5.028 0.02 . 1 . . . . 29 SER HA . 6963 1 188 . 1 1 29 29 SER HB2 H 1 3.670 0.02 . 1 . . . . 29 SER HB2 . 6963 1 189 . 1 1 29 29 SER HB3 H 1 3.797 0.02 . 1 . . . . 29 SER HB3 . 6963 1 190 . 1 1 30 30 PRO HA H 1 4.119 0.02 . 1 . . . . 30 PRO HA . 6963 1 191 . 1 1 30 30 PRO HB2 H 1 1.999 0.02 . 1 . . . . 30 PRO HB2 . 6963 1 192 . 1 1 30 30 PRO HB3 H 1 2.455 0.02 . 1 . . . . 30 PRO HB3 . 6963 1 193 . 1 1 30 30 PRO HG2 H 1 2.133 0.02 . 1 . . . . 30 PRO HG2 . 6963 1 194 . 1 1 30 30 PRO HG3 H 1 2.060 0.02 . 1 . . . . 30 PRO HG3 . 6963 1 195 . 1 1 30 30 PRO HD2 H 1 3.950 0.02 . 1 . . . . 30 PRO HD2 . 6963 1 196 . 1 1 30 30 PRO HD3 H 1 3.950 0.02 . 1 . . . . 30 PRO HD3 . 6963 1 197 . 1 1 31 31 LEU H H 1 7.177 0.02 . 1 . . . . 31 LEU H . 6963 1 198 . 1 1 31 31 LEU HA H 1 4.081 0.02 . 1 . . . . 31 LEU HA . 6963 1 199 . 1 1 31 31 LEU HB2 H 1 1.481 0.02 . 1 . . . . 31 LEU HB2 . 6963 1 200 . 1 1 31 31 LEU HB3 H 1 1.371 0.02 . 1 . . . . 31 LEU HB3 . 6963 1 201 . 1 1 31 31 LEU HG H 1 1.456 0.02 . 1 . . . . 31 LEU HG . 6963 1 202 . 1 1 31 31 LEU HD11 H 1 0.766 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 203 . 1 1 31 31 LEU HD12 H 1 0.766 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 204 . 1 1 31 31 LEU HD13 H 1 0.766 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 205 . 1 1 31 31 LEU HD21 H 1 0.819 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 206 . 1 1 31 31 LEU HD22 H 1 0.819 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 207 . 1 1 31 31 LEU HD23 H 1 0.819 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 208 . 1 1 32 32 LEU H H 1 7.192 0.02 . 1 . . . . 32 LEU H . 6963 1 209 . 1 1 32 32 LEU HA H 1 4.125 0.02 . 1 . . . . 32 LEU HA . 6963 1 210 . 1 1 32 32 LEU HB2 H 1 1.366 0.02 . 1 . . . . 32 LEU HB2 . 6963 1 211 . 1 1 32 32 LEU HB3 H 1 1.440 0.02 . 1 . . . . 32 LEU HB3 . 6963 1 212 . 1 1 32 32 LEU HG H 1 1.436 0.02 . 1 . . . . 32 LEU HG . 6963 1 213 . 1 1 32 32 LEU HD11 H 1 0.646 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 214 . 1 1 32 32 LEU HD12 H 1 0.646 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 215 . 1 1 32 32 LEU HD13 H 1 0.646 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 216 . 1 1 32 32 LEU HD21 H 1 0.685 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 217 . 1 1 32 32 LEU HD22 H 1 0.685 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 218 . 1 1 32 32 LEU HD23 H 1 0.685 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 219 . 1 1 33 33 GLN H H 1 8.121 0.02 . 1 . . . . 33 GLN H . 6963 1 220 . 1 1 33 33 GLN HA H 1 3.801 0.02 . 1 . . . . 33 GLN HA . 6963 1 221 . 1 1 33 33 GLN HB2 H 1 2.173 0.02 . 1 . . . . 33 GLN HB2 . 6963 1 222 . 1 1 33 33 GLN HB3 H 1 2.234 0.02 . 1 . . . . 33 GLN HB3 . 6963 1 223 . 1 1 33 33 GLN HG2 H 1 2.251 0.02 . 1 . . . . 33 GLN HG2 . 6963 1 224 . 1 1 33 33 GLN HG3 H 1 2.295 0.02 . 1 . . . . 33 GLN HG3 . 6963 1 225 . 1 1 33 33 GLN HE21 H 1 7.565 0.02 . 1 . . . . 33 GLN HE21 . 6963 1 226 . 1 1 33 33 GLN HE22 H 1 6.707 0.02 . 1 . . . . 33 GLN HE22 . 6963 1 227 . 1 1 34 34 GLN H H 1 6.856 0.02 . 1 . . . . 34 GLN H . 6963 1 228 . 1 1 34 34 GLN HA H 1 4.727 0.02 . 1 . . . . 34 GLN HA . 6963 1 229 . 1 1 34 34 GLN HB2 H 1 2.235 0.02 . 1 . . . . 34 GLN HB2 . 6963 1 230 . 1 1 34 34 GLN HB3 H 1 1.800 0.02 . 1 . . . . 34 GLN HB3 . 6963 1 231 . 1 1 34 34 GLN HG2 H 1 2.146 0.02 . 1 . . . . 34 GLN HG2 . 6963 1 232 . 1 1 34 34 GLN HG3 H 1 2.206 0.02 . 1 . . . . 34 GLN HG3 . 6963 1 233 . 1 1 34 34 GLN HE21 H 1 7.408 0.02 . 1 . . . . 34 GLN HE21 . 6963 1 234 . 1 1 34 34 GLN HE22 H 1 6.910 0.02 . 1 . . . . 34 GLN HE22 . 6963 1 235 . 1 1 35 35 CYS H H 1 9.366 0.02 . 1 . . . . 35 CYS H . 6963 1 236 . 1 1 35 35 CYS HA H 1 5.737 0.02 . 1 . . . . 35 CYS HA . 6963 1 237 . 1 1 35 35 CYS HB2 H 1 3.694 0.02 . 1 . . . . 35 CYS HB2 . 6963 1 238 . 1 1 35 35 CYS HB3 H 1 2.868 0.02 . 1 . . . . 35 CYS HB3 . 6963 1 239 . 1 1 36 36 HIS H H 1 9.779 0.02 . 1 . . . . 36 HIS H . 6963 1 240 . 1 1 36 36 HIS HA H 1 5.328 0.02 . 1 . . . . 36 HIS HA . 6963 1 241 . 1 1 36 36 HIS HB2 H 1 3.296 0.02 . 1 . . . . 36 HIS HB2 . 6963 1 242 . 1 1 36 36 HIS HB3 H 1 3.025 0.02 . 1 . . . . 36 HIS HB3 . 6963 1 243 . 1 1 36 36 HIS HD2 H 1 7.061 0.02 . 1 . . . . 36 HIS HD2 . 6963 1 244 . 1 1 36 36 HIS HE1 H 1 8.413 0.02 . 1 . . . . 36 HIS HE1 . 6963 1 245 . 1 1 37 37 PRO HA H 1 4.300 0.02 . 1 . . . . 37 PRO HA . 6963 1 246 . 1 1 37 37 PRO HB2 H 1 0.848 0.02 . 1 . . . . 37 PRO HB2 . 6963 1 247 . 1 1 37 37 PRO HB3 H 1 1.310 0.02 . 1 . . . . 37 PRO HB3 . 6963 1 248 . 1 1 37 37 PRO HG2 H 1 1.594 0.02 . 1 . . . . 37 PRO HG2 . 6963 1 249 . 1 1 37 37 PRO HG3 H 1 0.982 0.02 . 1 . . . . 37 PRO HG3 . 6963 1 250 . 1 1 37 37 PRO HD2 H 1 3.374 0.02 . 1 . . . . 37 PRO HD2 . 6963 1 251 . 1 1 37 37 PRO HD3 H 1 3.281 0.02 . 1 . . . . 37 PRO HD3 . 6963 1 252 . 1 1 38 38 PHE H H 1 8.787 0.02 . 1 . . . . 38 PHE H . 6963 1 253 . 1 1 38 38 PHE HA H 1 4.638 0.02 . 1 . . . . 38 PHE HA . 6963 1 254 . 1 1 38 38 PHE HB2 H 1 2.897 0.02 . 1 . . . . 38 PHE HB2 . 6963 1 255 . 1 1 38 38 PHE HB3 H 1 2.798 0.02 . 1 . . . . 38 PHE HB3 . 6963 1 256 . 1 1 38 38 PHE HD1 H 1 6.690 0.02 . 1 . . . . 38 PHE HD1 . 6963 1 257 . 1 1 38 38 PHE HD2 H 1 6.690 0.02 . 1 . . . . 38 PHE HD2 . 6963 1 258 . 1 1 38 38 PHE HE1 H 1 6.990 0.02 . 1 . . . . 38 PHE HE1 . 6963 1 259 . 1 1 38 38 PHE HE2 H 1 6.990 0.02 . 1 . . . . 38 PHE HE2 . 6963 1 260 . 1 1 38 38 PHE HZ H 1 6.756 0.02 . 1 . . . . 38 PHE HZ . 6963 1 261 . 1 1 39 39 VAL H H 1 8.283 0.02 . 1 . . . . 39 VAL H . 6963 1 262 . 1 1 39 39 VAL HA H 1 3.650 0.02 . 1 . . . . 39 VAL HA . 6963 1 263 . 1 1 39 39 VAL HB H 1 1.614 0.02 . 1 . . . . 39 VAL HB . 6963 1 264 . 1 1 39 39 VAL HG11 H 1 0.364 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 265 . 1 1 39 39 VAL HG12 H 1 0.364 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 266 . 1 1 39 39 VAL HG13 H 1 0.364 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 267 . 1 1 39 39 VAL HG21 H 1 0.511 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 268 . 1 1 39 39 VAL HG22 H 1 0.511 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 269 . 1 1 39 39 VAL HG23 H 1 0.511 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 270 . 1 1 40 40 TYR H H 1 8.532 0.02 . 1 . . . . 40 TYR H . 6963 1 271 . 1 1 40 40 TYR HA H 1 4.987 0.02 . 1 . . . . 40 TYR HA . 6963 1 272 . 1 1 40 40 TYR HB2 H 1 2.412 0.02 . 1 . . . . 40 TYR HB2 . 6963 1 273 . 1 1 40 40 TYR HB3 H 1 2.694 0.02 . 1 . . . . 40 TYR HB3 . 6963 1 274 . 1 1 40 40 TYR HD1 H 1 6.760 0.02 . 1 . . . . 40 TYR HD1 . 6963 1 275 . 1 1 40 40 TYR HD2 H 1 7.840 0.02 . 1 . . . . 40 TYR HD2 . 6963 1 276 . 1 1 40 40 TYR HE1 H 1 6.685 0.02 . 1 . . . . 40 TYR HE1 . 6963 1 277 . 1 1 40 40 TYR HE2 H 1 6.583 0.02 . 1 . . . . 40 TYR HE2 . 6963 1 278 . 1 1 41 41 GLY H H 1 8.748 0.02 . 1 . . . . 41 GLY H . 6963 1 279 . 1 1 41 41 GLY HA2 H 1 3.619 0.02 . 1 . . . . 41 GLY HA2 . 6963 1 280 . 1 1 41 41 GLY HA3 H 1 3.372 0.02 . 1 . . . . 41 GLY HA3 . 6963 1 281 . 1 1 42 42 GLY H H 1 4.406 0.02 . 1 . . . . 42 GLY H . 6963 1 282 . 1 1 42 42 GLY HA2 H 1 3.005 0.02 . 1 . . . . 42 GLY HA2 . 6963 1 283 . 1 1 42 42 GLY HA3 H 1 4.191 0.02 . 1 . . . . 42 GLY HA3 . 6963 1 284 . 1 1 43 43 CYS H H 1 7.560 0.02 . 1 . . . . 43 CYS H . 6963 1 285 . 1 1 43 43 CYS HA H 1 4.919 0.02 . 1 . . . . 43 CYS HA . 6963 1 286 . 1 1 43 43 CYS HB2 H 1 2.788 0.02 . 1 . . . . 43 CYS HB2 . 6963 1 287 . 1 1 43 43 CYS HB3 H 1 3.863 0.02 . 1 . . . . 43 CYS HB3 . 6963 1 288 . 1 1 44 44 GLU H H 1 9.189 0.02 . 1 . . . . 44 GLU H . 6963 1 289 . 1 1 44 44 GLU HA H 1 3.883 0.02 . 1 . . . . 44 GLU HA . 6963 1 290 . 1 1 44 44 GLU HB2 H 1 1.964 0.02 . 1 . . . . 44 GLU HB2 . 6963 1 291 . 1 1 44 44 GLU HB3 H 1 2.286 0.02 . 1 . . . . 44 GLU HB3 . 6963 1 292 . 1 1 44 44 GLU HG2 H 1 2.118 0.02 . 2 . . . . 44 GLU HG2 . 6963 1 293 . 1 1 44 44 GLU HG3 H 1 2.188 0.02 . 2 . . . . 44 GLU HG3 . 6963 1 294 . 1 1 45 45 GLY H H 1 8.415 0.02 . 1 . . . . 45 GLY H . 6963 1 295 . 1 1 45 45 GLY HA2 H 1 3.832 0.02 . 1 . . . . 45 GLY HA2 . 6963 1 296 . 1 1 45 45 GLY HA3 H 1 4.248 0.02 . 1 . . . . 45 GLY HA3 . 6963 1 297 . 1 1 46 46 ASN H H 1 8.046 0.02 . 1 . . . . 46 ASN H . 6963 1 298 . 1 1 46 46 ASN HA H 1 4.859 0.02 . 1 . . . . 46 ASN HA . 6963 1 299 . 1 1 46 46 ASN HB2 H 1 3.053 0.02 . 1 . . . . 46 ASN HB2 . 6963 1 300 . 1 1 46 46 ASN HB3 H 1 2.766 0.02 . 1 . . . . 46 ASN HB3 . 6963 1 301 . 1 1 46 46 ASN HD21 H 1 8.342 0.02 . 1 . . . . 46 ASN HD21 . 6963 1 302 . 1 1 46 46 ASN HD22 H 1 8.161 0.02 . 1 . . . . 46 ASN HD22 . 6963 1 303 . 1 1 47 47 GLY H H 1 8.247 0.02 . 1 . . . . 47 GLY H . 6963 1 304 . 1 1 47 47 GLY HA2 H 1 3.877 0.02 . 1 . . . . 47 GLY HA2 . 6963 1 305 . 1 1 47 47 GLY HA3 H 1 3.442 0.02 . 1 . . . . 47 GLY HA3 . 6963 1 306 . 1 1 48 48 ASN H H 1 8.124 0.02 . 1 . . . . 48 ASN H . 6963 1 307 . 1 1 48 48 ASN HA H 1 4.796 0.02 . 1 . . . . 48 ASN HA . 6963 1 308 . 1 1 48 48 ASN HB2 H 1 2.735 0.02 . 1 . . . . 48 ASN HB2 . 6963 1 309 . 1 1 48 48 ASN HB3 H 1 3.126 0.02 . 1 . . . . 48 ASN HB3 . 6963 1 310 . 1 1 48 48 ASN HD21 H 1 7.641 0.02 . 1 . . . . 48 ASN HD21 . 6963 1 311 . 1 1 48 48 ASN HD22 H 1 7.639 0.02 . 1 . . . . 48 ASN HD22 . 6963 1 312 . 1 1 49 49 ASN H H 1 6.277 0.02 . 1 . . . . 49 ASN H . 6963 1 313 . 1 1 49 49 ASN HA H 1 4.581 0.02 . 1 . . . . 49 ASN HA . 6963 1 314 . 1 1 49 49 ASN HB2 H 1 2.303 0.02 . 1 . . . . 49 ASN HB2 . 6963 1 315 . 1 1 49 49 ASN HB3 H 1 2.550 0.02 . 1 . . . . 49 ASN HB3 . 6963 1 316 . 1 1 49 49 ASN HD21 H 1 7.351 0.02 . 1 . . . . 49 ASN HD21 . 6963 1 317 . 1 1 49 49 ASN HD22 H 1 3.007 0.02 . 1 . . . . 49 ASN HD22 . 6963 1 318 . 1 1 50 50 PHE H H 1 9.638 0.02 . 1 . . . . 50 PHE H . 6963 1 319 . 1 1 50 50 PHE HA H 1 4.926 0.02 . 1 . . . . 50 PHE HA . 6963 1 320 . 1 1 50 50 PHE HB2 H 1 2.648 0.02 . 1 . . . . 50 PHE HB2 . 6963 1 321 . 1 1 50 50 PHE HB3 H 1 3.355 0.02 . 1 . . . . 50 PHE HB3 . 6963 1 322 . 1 1 50 50 PHE HD1 H 1 7.190 0.02 . 1 . . . . 50 PHE HD1 . 6963 1 323 . 1 1 50 50 PHE HD2 H 1 7.190 0.02 . 1 . . . . 50 PHE HD2 . 6963 1 324 . 1 1 50 50 PHE HE1 H 1 7.140 0.02 . 1 . . . . 50 PHE HE1 . 6963 1 325 . 1 1 50 50 PHE HE2 H 1 7.140 0.02 . 1 . . . . 50 PHE HE2 . 6963 1 326 . 1 1 50 50 PHE HZ H 1 7.052 0.02 . 1 . . . . 50 PHE HZ . 6963 1 327 . 1 1 51 51 HIS H H 1 9.834 0.02 . 1 . . . . 51 HIS H . 6963 1 328 . 1 1 51 51 HIS HA H 1 4.429 0.02 . 1 . . . . 51 HIS HA . 6963 1 329 . 1 1 51 51 HIS HB2 H 1 3.327 0.02 . 1 . . . . 51 HIS HB2 . 6963 1 330 . 1 1 51 51 HIS HB3 H 1 3.451 0.02 . 1 . . . . 51 HIS HB3 . 6963 1 331 . 1 1 51 51 HIS HD2 H 1 7.387 0.02 . 1 . . . . 51 HIS HD2 . 6963 1 332 . 1 1 52 52 SER H H 1 7.435 0.02 . 1 . . . . 52 SER H . 6963 1 333 . 1 1 52 52 SER HA H 1 4.344 0.02 . 1 . . . . 52 SER HA . 6963 1 334 . 1 1 52 52 SER HB2 H 1 3.955 0.02 . 1 . . . . 52 SER HB2 . 6963 1 335 . 1 1 52 52 SER HB3 H 1 3.800 0.02 . 1 . . . . 52 SER HB3 . 6963 1 336 . 1 1 53 53 ARG H H 1 7.803 0.02 . 1 . . . . 53 ARG H . 6963 1 337 . 1 1 53 53 ARG HA H 1 2.479 0.02 . 1 . . . . 53 ARG HA . 6963 1 338 . 1 1 53 53 ARG HB2 H 1 -0.769 0.02 . 1 . . . . 53 ARG HB2 . 6963 1 339 . 1 1 53 53 ARG HB3 H 1 0.681 0.02 . 1 . . . . 53 ARG HB3 . 6963 1 340 . 1 1 53 53 ARG HG2 H 1 0.764 0.02 . 1 . . . . 53 ARG HG2 . 6963 1 341 . 1 1 53 53 ARG HG3 H 1 0.995 0.02 . 1 . . . . 53 ARG HG3 . 6963 1 342 . 1 1 53 53 ARG HD2 H 1 2.789 0.02 . 1 . . . . 53 ARG HD2 . 6963 1 343 . 1 1 53 53 ARG HD3 H 1 2.846 0.02 . 1 . . . . 53 ARG HD3 . 6963 1 344 . 1 1 53 53 ARG HE H 1 7.287 0.02 . 1 . . . . 53 ARG HE . 6963 1 345 . 1 1 54 54 GLU H H 1 8.638 0.02 . 1 . . . . 54 GLU H . 6963 1 346 . 1 1 54 54 GLU HA H 1 3.657 0.02 . 1 . . . . 54 GLU HA . 6963 1 347 . 1 1 54 54 GLU HB2 H 1 1.821 0.02 . 1 . . . . 54 GLU HB2 . 6963 1 348 . 1 1 54 54 GLU HB3 H 1 1.676 0.02 . 1 . . . . 54 GLU HB3 . 6963 1 349 . 1 1 54 54 GLU HG2 H 1 2.055 0.02 . 1 . . . . 54 GLU HG2 . 6963 1 350 . 1 1 54 54 GLU HG3 H 1 2.250 0.02 . 1 . . . . 54 GLU HG3 . 6963 1 351 . 1 1 55 55 SER H H 1 7.800 0.02 . 1 . . . . 55 SER H . 6963 1 352 . 1 1 55 55 SER HA H 1 4.041 0.02 . 1 . . . . 55 SER HA . 6963 1 353 . 1 1 55 55 SER HB2 H 1 3.890 0.02 . 1 . . . . 55 SER HB2 . 6963 1 354 . 1 1 55 55 SER HB3 H 1 3.890 0.02 . 1 . . . . 55 SER HB3 . 6963 1 355 . 1 1 56 56 CYS H H 1 6.966 0.02 . 1 . . . . 56 CYS H . 6963 1 356 . 1 1 56 56 CYS HA H 1 2.127 0.02 . 1 . . . . 56 CYS HA . 6963 1 357 . 1 1 56 56 CYS HB2 H 1 2.781 0.02 . 1 . . . . 56 CYS HB2 . 6963 1 358 . 1 1 56 56 CYS HB3 H 1 3.184 0.02 . 1 . . . . 56 CYS HB3 . 6963 1 359 . 1 1 57 57 GLU H H 1 8.339 0.02 . 1 . . . . 57 GLU H . 6963 1 360 . 1 1 57 57 GLU HA H 1 4.066 0.02 . 1 . . . . 57 GLU HA . 6963 1 361 . 1 1 57 57 GLU HB2 H 1 1.834 0.02 . 2 . . . . 57 GLU HB2 . 6963 1 362 . 1 1 57 57 GLU HB3 H 1 1.908 0.02 . 2 . . . . 57 GLU HB3 . 6963 1 363 . 1 1 57 57 GLU HG2 H 1 2.320 0.02 . 2 . . . . 57 GLU HG2 . 6963 1 364 . 1 1 57 57 GLU HG3 H 1 2.464 0.02 . 2 . . . . 57 GLU HG3 . 6963 1 365 . 1 1 58 58 ASP H H 1 7.583 0.02 . 1 . . . . 58 ASP H . 6963 1 366 . 1 1 58 58 ASP HA H 1 4.394 0.02 . 1 . . . . 58 ASP HA . 6963 1 367 . 1 1 58 58 ASP HB2 H 1 2.570 0.02 . 1 . . . . 58 ASP HB2 . 6963 1 368 . 1 1 58 58 ASP HB3 H 1 2.570 0.02 . 1 . . . . 58 ASP HB3 . 6963 1 369 . 1 1 59 59 ALA H H 1 6.914 0.02 . 1 . . . . 59 ALA H . 6963 1 370 . 1 1 59 59 ALA HA H 1 4.122 0.02 . 1 . . . . 59 ALA HA . 6963 1 371 . 1 1 59 59 ALA HB1 H 1 1.270 0.02 . 1 . . . . 59 ALA HB . 6963 1 372 . 1 1 59 59 ALA HB2 H 1 1.270 0.02 . 1 . . . . 59 ALA HB . 6963 1 373 . 1 1 59 59 ALA HB3 H 1 1.270 0.02 . 1 . . . . 59 ALA HB . 6963 1 374 . 1 1 60 60 CYS H H 1 7.855 0.02 . 1 . . . . 60 CYS H . 6963 1 375 . 1 1 60 60 CYS HA H 1 4.661 0.02 . 1 . . . . 60 CYS HA . 6963 1 376 . 1 1 60 60 CYS HB2 H 1 2.112 0.02 . 1 . . . . 60 CYS HB2 . 6963 1 377 . 1 1 60 60 CYS HB3 H 1 1.449 0.02 . 1 . . . . 60 CYS HB3 . 6963 1 378 . 1 1 61 61 PRO HA H 1 3.909 0.02 . 1 . . . . 61 PRO HA . 6963 1 379 . 1 1 61 61 PRO HB2 H 1 1.910 0.02 . 1 . . . . 61 PRO HB2 . 6963 1 380 . 1 1 61 61 PRO HB3 H 1 1.803 0.02 . 1 . . . . 61 PRO HB3 . 6963 1 381 . 1 1 61 61 PRO HG2 H 1 1.470 0.02 . 1 . . . . 61 PRO HG2 . 6963 1 382 . 1 1 61 61 PRO HG3 H 1 1.470 0.02 . 1 . . . . 61 PRO HG3 . 6963 1 383 . 1 1 61 61 PRO HD2 H 1 3.340 0.02 . 1 . . . . 61 PRO HD2 . 6963 1 384 . 1 1 61 61 PRO HD3 H 1 2.998 0.02 . 1 . . . . 61 PRO HD3 . 6963 1 385 . 1 1 62 62 VAL H H 1 8.365 0.02 . 1 . . . . 62 VAL H . 6963 1 386 . 1 1 62 62 VAL HA H 1 3.956 0.02 . 1 . . . . 62 VAL HA . 6963 1 387 . 1 1 62 62 VAL HB H 1 1.911 0.02 . 1 . . . . 62 VAL HB . 6963 1 388 . 1 1 62 62 VAL HG11 H 1 0.769 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 389 . 1 1 62 62 VAL HG12 H 1 0.769 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 390 . 1 1 62 62 VAL HG13 H 1 0.769 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 391 . 1 1 62 62 VAL HG21 H 1 0.898 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 392 . 1 1 62 62 VAL HG22 H 1 0.898 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 393 . 1 1 62 62 VAL HG23 H 1 0.898 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 394 . 1 1 63 63 VAL H H 1 7.997 0.02 . 1 . . . . 63 VAL H . 6963 1 395 . 1 1 63 63 VAL HA H 1 3.968 0.02 . 1 . . . . 63 VAL HA . 6963 1 396 . 1 1 63 63 VAL HB H 1 1.837 0.02 . 1 . . . . 63 VAL HB . 6963 1 397 . 1 1 63 63 VAL HG11 H 1 0.668 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 398 . 1 1 63 63 VAL HG12 H 1 0.668 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 399 . 1 1 63 63 VAL HG13 H 1 0.668 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 400 . 1 1 63 63 VAL HG21 H 1 0.770 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 401 . 1 1 63 63 VAL HG22 H 1 0.770 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 402 . 1 1 63 63 VAL HG23 H 1 0.770 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 403 . 1 1 64 64 ASP H H 1 8.229 0.02 . 1 . . . . 64 ASP H . 6963 1 404 . 1 1 64 64 ASP HA H 1 4.389 0.02 . 1 . . . . 64 ASP HA . 6963 1 405 . 1 1 64 64 ASP HB2 H 1 2.484 0.02 . 2 . . . . 64 ASP HB2 . 6963 1 406 . 1 1 64 64 ASP HB3 H 1 2.620 0.02 . 2 . . . . 64 ASP HB3 . 6963 1 407 . 1 1 65 65 HIS H H 1 8.466 0.02 . 1 . . . . 65 HIS H . 6963 1 408 . 1 1 65 65 HIS HA H 1 4.486 0.02 . 1 . . . . 65 HIS HA . 6963 1 409 . 1 1 65 65 HIS HB2 H 1 2.900 0.02 . 2 . . . . 65 HIS HB2 . 6963 1 410 . 1 1 65 65 HIS HB3 H 1 3.154 0.02 . 2 . . . . 65 HIS HB3 . 6963 1 411 . 2 1 1 1 GLU HA H 1 3.970 0.02 . 1 . . . . 1 GLU HA . 6963 1 412 . 2 1 1 1 GLU HB2 H 1 1.994 0.02 . 2 . . . . 1 GLU HB2 . 6963 1 413 . 2 1 1 1 GLU HB3 H 1 2.048 0.02 . 2 . . . . 1 GLU HB3 . 6963 1 414 . 2 1 1 1 GLU HG2 H 1 2.330 0.02 . 1 . . . . 1 GLU HG2 . 6963 1 415 . 2 1 1 1 GLU HG3 H 1 2.330 0.02 . 1 . . . . 1 GLU HG3 . 6963 1 416 . 2 1 2 2 ALA H H 1 8.678 0.02 . 1 . . . . 2 ALA H . 6963 1 417 . 2 1 2 2 ALA HA H 1 4.243 0.02 . 1 . . . . 2 ALA HA . 6963 1 418 . 2 1 2 2 ALA HB1 H 1 1.266 0.02 . 1 . . . . 2 ALA HB . 6963 1 419 . 2 1 2 2 ALA HB2 H 1 1.266 0.02 . 1 . . . . 2 ALA HB . 6963 1 420 . 2 1 2 2 ALA HB3 H 1 1.266 0.02 . 1 . . . . 2 ALA HB . 6963 1 421 . 2 1 3 3 GLU H H 1 8.404 0.02 . 1 . . . . 3 GLU H . 6963 1 422 . 2 1 3 3 GLU HA H 1 4.184 0.02 . 1 . . . . 3 GLU HA . 6963 1 423 . 2 1 3 3 GLU HB2 H 1 1.817 0.02 . 2 . . . . 3 GLU HB2 . 6963 1 424 . 2 1 3 3 GLU HB3 H 1 1.878 0.02 . 2 . . . . 3 GLU HB3 . 6963 1 425 . 2 1 3 3 GLU HG2 H 1 2.133 0.02 . 2 . . . . 3 GLU HG2 . 6963 1 426 . 2 1 3 3 GLU HG3 H 1 2.212 0.02 . 2 . . . . 3 GLU HG3 . 6963 1 427 . 2 1 4 4 ALA H H 1 8.285 0.02 . 1 . . . . 4 ALA H . 6963 1 428 . 2 1 4 4 ALA HA H 1 4.194 0.02 . 1 . . . . 4 ALA HA . 6963 1 429 . 2 1 4 4 ALA HB1 H 1 1.258 0.02 . 1 . . . . 4 ALA HB . 6963 1 430 . 2 1 4 4 ALA HB2 H 1 1.258 0.02 . 1 . . . . 4 ALA HB . 6963 1 431 . 2 1 4 4 ALA HB3 H 1 1.258 0.02 . 1 . . . . 4 ALA HB . 6963 1 432 . 2 1 5 5 GLU H H 1 8.353 0.02 . 1 . . . . 5 GLU H . 6963 1 433 . 2 1 5 5 GLU HA H 1 4.186 0.02 . 1 . . . . 5 GLU HA . 6963 1 434 . 2 1 5 5 GLU HB2 H 1 1.792 0.02 . 2 . . . . 5 GLU HB2 . 6963 1 435 . 2 1 5 5 GLU HB3 H 1 1.861 0.02 . 2 . . . . 5 GLU HB3 . 6963 1 436 . 2 1 5 5 GLU HG2 H 1 2.123 0.02 . 2 . . . . 5 GLU HG2 . 6963 1 437 . 2 1 5 5 GLU HG3 H 1 2.203 0.02 . 2 . . . . 5 GLU HG3 . 6963 1 438 . 2 1 6 6 PHE H H 1 8.288 0.02 . 1 . . . . 6 PHE H . 6963 1 439 . 2 1 6 6 PHE HA H 1 4.625 0.02 . 1 . . . . 6 PHE HA . 6963 1 440 . 2 1 6 6 PHE HB2 H 1 2.944 0.02 . 1 . . . . 6 PHE HB2 . 6963 1 441 . 2 1 6 6 PHE HB3 H 1 3.078 0.02 . 1 . . . . 6 PHE HB3 . 6963 1 442 . 2 1 6 6 PHE HD1 H 1 7.140 0.02 . 1 . . . . 6 PHE HD1 . 6963 1 443 . 2 1 6 6 PHE HD2 H 1 7.140 0.02 . 1 . . . . 6 PHE HD2 . 6963 1 444 . 2 1 6 6 PHE HE1 H 1 7.240 0.02 . 1 . . . . 6 PHE HE1 . 6963 1 445 . 2 1 6 6 PHE HE2 H 1 7.240 0.02 . 1 . . . . 6 PHE HE2 . 6963 1 446 . 2 1 6 6 PHE HZ H 1 7.193 0.02 . 1 . . . . 6 PHE HZ . 6963 1 447 . 2 1 7 7 THR H H 1 7.977 0.02 . 1 . . . . 7 THR H . 6963 1 448 . 2 1 7 7 THR HA H 1 4.223 0.02 . 1 . . . . 7 THR HA . 6963 1 449 . 2 1 7 7 THR HB H 1 4.133 0.02 . 1 . . . . 7 THR HB . 6963 1 450 . 2 1 7 7 THR HG21 H 1 1.154 0.02 . 1 . . . . 7 THR HG2 . 6963 1 451 . 2 1 7 7 THR HG22 H 1 1.154 0.02 . 1 . . . . 7 THR HG2 . 6963 1 452 . 2 1 7 7 THR HG23 H 1 1.154 0.02 . 1 . . . . 7 THR HG2 . 6963 1 453 . 2 1 8 8 ASP H H 1 8.253 0.02 . 1 . . . . 8 ASP H . 6963 1 454 . 2 1 8 8 ASP HA H 1 4.452 0.02 . 1 . . . . 8 ASP HA . 6963 1 455 . 2 1 8 8 ASP HB2 H 1 2.553 0.02 . 1 . . . . 8 ASP HB2 . 6963 1 456 . 2 1 8 8 ASP HB3 H 1 2.761 0.02 . 1 . . . . 8 ASP HB3 . 6963 1 457 . 2 1 9 9 ALA H H 1 8.352 0.02 . 1 . . . . 9 ALA H . 6963 1 458 . 2 1 9 9 ALA HA H 1 3.904 0.02 . 1 . . . . 9 ALA HA . 6963 1 459 . 2 1 9 9 ALA HB1 H 1 1.212 0.02 . 1 . . . . 9 ALA HB . 6963 1 460 . 2 1 9 9 ALA HB2 H 1 1.212 0.02 . 1 . . . . 9 ALA HB . 6963 1 461 . 2 1 9 9 ALA HB3 H 1 1.212 0.02 . 1 . . . . 9 ALA HB . 6963 1 462 . 2 1 10 10 CYS H H 1 7.714 0.02 . 1 . . . . 10 CYS H . 6963 1 463 . 2 1 10 10 CYS HA H 1 4.134 0.02 . 1 . . . . 10 CYS HA . 6963 1 464 . 2 1 10 10 CYS HB2 H 1 3.247 0.02 . 1 . . . . 10 CYS HB2 . 6963 1 465 . 2 1 10 10 CYS HB3 H 1 2.787 0.02 . 1 . . . . 10 CYS HB3 . 6963 1 466 . 2 1 11 11 VAL H H 1 6.752 0.02 . 1 . . . . 11 VAL H . 6963 1 467 . 2 1 11 11 VAL HA H 1 4.411 0.02 . 1 . . . . 11 VAL HA . 6963 1 468 . 2 1 11 11 VAL HB H 1 2.428 0.02 . 1 . . . . 11 VAL HB . 6963 1 469 . 2 1 11 11 VAL HG11 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 470 . 2 1 11 11 VAL HG12 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 471 . 2 1 11 11 VAL HG13 H 1 0.860 0.02 . 1 . . . . 11 VAL HG1 . 6963 1 472 . 2 1 11 11 VAL HG21 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 473 . 2 1 11 11 VAL HG22 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 474 . 2 1 11 11 VAL HG23 H 1 0.860 0.02 . 1 . . . . 11 VAL HG2 . 6963 1 475 . 2 1 12 12 LEU H H 1 7.489 0.02 . 1 . . . . 12 LEU H . 6963 1 476 . 2 1 12 12 LEU HA H 1 4.450 0.02 . 1 . . . . 12 LEU HA . 6963 1 477 . 2 1 12 12 LEU HB2 H 1 1.437 0.02 . 1 . . . . 12 LEU HB2 . 6963 1 478 . 2 1 12 12 LEU HB3 H 1 1.795 0.02 . 1 . . . . 12 LEU HB3 . 6963 1 479 . 2 1 12 12 LEU HG H 1 1.789 0.02 . 1 . . . . 12 LEU HG . 6963 1 480 . 2 1 12 12 LEU HD11 H 1 0.819 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 481 . 2 1 12 12 LEU HD12 H 1 0.819 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 482 . 2 1 12 12 LEU HD13 H 1 0.819 0.02 . 1 . . . . 12 LEU HD1 . 6963 1 483 . 2 1 12 12 LEU HD21 H 1 0.855 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 484 . 2 1 12 12 LEU HD22 H 1 0.855 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 485 . 2 1 12 12 LEU HD23 H 1 0.855 0.02 . 1 . . . . 12 LEU HD2 . 6963 1 486 . 2 1 13 13 PRO HA H 1 4.313 0.02 . 1 . . . . 13 PRO HA . 6963 1 487 . 2 1 13 13 PRO HB2 H 1 1.643 0.02 . 1 . . . . 13 PRO HB2 . 6963 1 488 . 2 1 13 13 PRO HB3 H 1 2.172 0.02 . 1 . . . . 13 PRO HB3 . 6963 1 489 . 2 1 13 13 PRO HG2 H 1 1.785 0.02 . 1 . . . . 13 PRO HG2 . 6963 1 490 . 2 1 13 13 PRO HG3 H 1 1.956 0.02 . 1 . . . . 13 PRO HG3 . 6963 1 491 . 2 1 13 13 PRO HD2 H 1 3.484 0.02 . 1 . . . . 13 PRO HD2 . 6963 1 492 . 2 1 13 13 PRO HD3 H 1 3.715 0.02 . 1 . . . . 13 PRO HD3 . 6963 1 493 . 2 1 14 14 ALA H H 1 7.933 0.02 . 1 . . . . 14 ALA H . 6963 1 494 . 2 1 14 14 ALA HA H 1 4.278 0.02 . 1 . . . . 14 ALA HA . 6963 1 495 . 2 1 14 14 ALA HB1 H 1 0.242 0.02 . 1 . . . . 14 ALA HB . 6963 1 496 . 2 1 14 14 ALA HB2 H 1 0.242 0.02 . 1 . . . . 14 ALA HB . 6963 1 497 . 2 1 14 14 ALA HB3 H 1 0.242 0.02 . 1 . . . . 14 ALA HB . 6963 1 498 . 2 1 15 15 VAL H H 1 8.110 0.02 . 1 . . . . 15 VAL H . 6963 1 499 . 2 1 15 15 VAL HA H 1 4.245 0.02 . 1 . . . . 15 VAL HA . 6963 1 500 . 2 1 15 15 VAL HB H 1 1.790 0.02 . 1 . . . . 15 VAL HB . 6963 1 501 . 2 1 15 15 VAL HG11 H 1 0.952 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 502 . 2 1 15 15 VAL HG12 H 1 0.952 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 503 . 2 1 15 15 VAL HG13 H 1 0.952 0.02 . 1 . . . . 15 VAL HG1 . 6963 1 504 . 2 1 15 15 VAL HG21 H 1 0.814 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 505 . 2 1 15 15 VAL HG22 H 1 0.814 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 506 . 2 1 15 15 VAL HG23 H 1 0.814 0.02 . 1 . . . . 15 VAL HG2 . 6963 1 507 . 2 1 16 16 GLN H H 1 9.008 0.02 . 1 . . . . 16 GLN H . 6963 1 508 . 2 1 16 16 GLN HA H 1 4.603 0.02 . 1 . . . . 16 GLN HA . 6963 1 509 . 2 1 16 16 GLN HB2 H 1 2.225 0.02 . 1 . . . . 16 GLN HB2 . 6963 1 510 . 2 1 16 16 GLN HB3 H 1 2.528 0.02 . 1 . . . . 16 GLN HB3 . 6963 1 511 . 2 1 16 16 GLN HG2 H 1 2.629 0.02 . 1 . . . . 16 GLN HG2 . 6963 1 512 . 2 1 16 16 GLN HG3 H 1 2.629 0.02 . 1 . . . . 16 GLN HG3 . 6963 1 513 . 2 1 16 16 GLN HE21 H 1 7.873 0.02 . 2 . . . . 16 GLN HE21 . 6963 1 514 . 2 1 16 16 GLN HE22 H 1 6.845 0.02 . 2 . . . . 16 GLN HE22 . 6963 1 515 . 2 1 17 17 GLY H H 1 8.524 0.02 . 1 . . . . 17 GLY H . 6963 1 516 . 2 1 17 17 GLY HA2 H 1 4.032 0.02 . 1 . . . . 17 GLY HA2 . 6963 1 517 . 2 1 17 17 GLY HA3 H 1 4.212 0.02 . 1 . . . . 17 GLY HA3 . 6963 1 518 . 2 1 18 18 PRO HA H 1 4.603 0.02 . 1 . . . . 18 PRO HA . 6963 1 519 . 2 1 18 18 PRO HB2 H 1 2.058 0.02 . 1 . . . . 18 PRO HB2 . 6963 1 520 . 2 1 18 18 PRO HB3 H 1 2.000 0.02 . 1 . . . . 18 PRO HB3 . 6963 1 521 . 2 1 18 18 PRO HG2 H 1 1.812 0.02 . 2 . . . . 18 PRO HG2 . 6963 1 522 . 2 1 18 18 PRO HG3 H 1 1.965 0.02 . 2 . . . . 18 PRO HG3 . 6963 1 523 . 2 1 18 18 PRO HD2 H 1 3.518 0.02 . 1 . . . . 18 PRO HD2 . 6963 1 524 . 2 1 18 18 PRO HD3 H 1 3.586 0.02 . 1 . . . . 18 PRO HD3 . 6963 1 525 . 2 1 19 19 CYS H H 1 8.761 0.02 . 1 . . . . 19 CYS H . 6963 1 526 . 2 1 19 19 CYS HA H 1 4.386 0.02 . 1 . . . . 19 CYS HA . 6963 1 527 . 2 1 19 19 CYS HB2 H 1 2.672 0.02 . 1 . . . . 19 CYS HB2 . 6963 1 528 . 2 1 19 19 CYS HB3 H 1 3.157 0.02 . 1 . . . . 19 CYS HB3 . 6963 1 529 . 2 1 20 20 ARG H H 1 7.994 0.02 . 1 . . . . 20 ARG H . 6963 1 530 . 2 1 20 20 ARG HA H 1 3.336 0.02 . 1 . . . . 20 ARG HA . 6963 1 531 . 2 1 20 20 ARG HB2 H 1 1.187 0.02 . 1 . . . . 20 ARG HB2 . 6963 1 532 . 2 1 20 20 ARG HB3 H 1 1.670 0.02 . 1 . . . . 20 ARG HB3 . 6963 1 533 . 2 1 20 20 ARG HG2 H 1 1.291 0.02 . 1 . . . . 20 ARG HG2 . 6963 1 534 . 2 1 20 20 ARG HG3 H 1 1.291 0.02 . 1 . . . . 20 ARG HG3 . 6963 1 535 . 2 1 20 20 ARG HD2 H 1 3.084 0.02 . 1 . . . . 20 ARG HD2 . 6963 1 536 . 2 1 20 20 ARG HD3 H 1 3.084 0.02 . 1 . . . . 20 ARG HD3 . 6963 1 537 . 2 1 20 20 ARG HE H 1 7.089 0.02 . 1 . . . . 20 ARG HE . 6963 1 538 . 2 1 21 21 GLY H H 1 8.023 0.02 . 1 . . . . 21 GLY H . 6963 1 539 . 2 1 21 21 GLY HA2 H 1 4.027 0.02 . 1 . . . . 21 GLY HA2 . 6963 1 540 . 2 1 21 21 GLY HA3 H 1 3.038 0.02 . 1 . . . . 21 GLY HA3 . 6963 1 541 . 2 1 22 22 TRP H H 1 7.005 0.02 . 1 . . . . 22 TRP H . 6963 1 542 . 2 1 22 22 TRP HA H 1 4.534 0.02 . 1 . . . . 22 TRP HA . 6963 1 543 . 2 1 22 22 TRP HB2 H 1 2.851 0.02 . 1 . . . . 22 TRP HB2 . 6963 1 544 . 2 1 22 22 TRP HB3 H 1 3.018 0.02 . 1 . . . . 22 TRP HB3 . 6963 1 545 . 2 1 22 22 TRP HD1 H 1 7.118 0.02 . 1 . . . . 22 TRP HD1 . 6963 1 546 . 2 1 22 22 TRP HE1 H 1 10.082 0.02 . 1 . . . . 22 TRP HE1 . 6963 1 547 . 2 1 22 22 TRP HE3 H 1 7.221 0.02 . 1 . . . . 22 TRP HE3 . 6963 1 548 . 2 1 22 22 TRP HZ2 H 1 7.342 0.02 . 1 . . . . 22 TRP HZ2 . 6963 1 549 . 2 1 22 22 TRP HZ3 H 1 6.872 0.02 . 1 . . . . 22 TRP HZ3 . 6963 1 550 . 2 1 22 22 TRP HH2 H 1 7.089 0.02 . 1 . . . . 22 TRP HH2 . 6963 1 551 . 2 1 23 23 GLU H H 1 8.729 0.02 . 1 . . . . 23 GLU H . 6963 1 552 . 2 1 23 23 GLU HA H 1 4.890 0.02 . 1 . . . . 23 GLU HA . 6963 1 553 . 2 1 23 23 GLU HB2 H 1 2.022 0.02 . 1 . . . . 23 GLU HB2 . 6963 1 554 . 2 1 23 23 GLU HB3 H 1 1.930 0.02 . 1 . . . . 23 GLU HB3 . 6963 1 555 . 2 1 23 23 GLU HG2 H 1 2.171 0.02 . 1 . . . . 23 GLU HG2 . 6963 1 556 . 2 1 23 23 GLU HG3 H 1 2.284 0.02 . 1 . . . . 23 GLU HG3 . 6963 1 557 . 2 1 24 24 PRO HA H 1 4.431 0.02 . 1 . . . . 24 PRO HA . 6963 1 558 . 2 1 24 24 PRO HB2 H 1 1.875 0.02 . 1 . . . . 24 PRO HB2 . 6963 1 559 . 2 1 24 24 PRO HB3 H 1 1.998 0.02 . 1 . . . . 24 PRO HB3 . 6963 1 560 . 2 1 24 24 PRO HG2 H 1 1.878 0.02 . 1 . . . . 24 PRO HG2 . 6963 1 561 . 2 1 24 24 PRO HG3 H 1 2.189 0.02 . 1 . . . . 24 PRO HG3 . 6963 1 562 . 2 1 24 24 PRO HD2 H 1 3.681 0.02 . 1 . . . . 24 PRO HD2 . 6963 1 563 . 2 1 24 24 PRO HD3 H 1 3.739 0.02 . 1 . . . . 24 PRO HD3 . 6963 1 564 . 2 1 25 25 ARG H H 1 8.302 0.02 . 1 . . . . 25 ARG H . 6963 1 565 . 2 1 25 25 ARG HA H 1 4.592 0.02 . 1 . . . . 25 ARG HA . 6963 1 566 . 2 1 25 25 ARG HB2 H 1 0.390 0.02 . 1 . . . . 25 ARG HB2 . 6963 1 567 . 2 1 25 25 ARG HB3 H 1 1.506 0.02 . 1 . . . . 25 ARG HB3 . 6963 1 568 . 2 1 25 25 ARG HG2 H 1 1.136 0.02 . 1 . . . . 25 ARG HG2 . 6963 1 569 . 2 1 25 25 ARG HG3 H 1 1.079 0.02 . 1 . . . . 25 ARG HG3 . 6963 1 570 . 2 1 25 25 ARG HD2 H 1 2.549 0.02 . 1 . . . . 25 ARG HD2 . 6963 1 571 . 2 1 25 25 ARG HD3 H 1 3.246 0.02 . 1 . . . . 25 ARG HD3 . 6963 1 572 . 2 1 25 25 ARG HE H 1 7.204 0.02 . 1 . . . . 25 ARG HE . 6963 1 573 . 2 1 26 26 TRP H H 1 8.834 0.02 . 1 . . . . 26 TRP H . 6963 1 574 . 2 1 26 26 TRP HA H 1 4.974 0.02 . 1 . . . . 26 TRP HA . 6963 1 575 . 2 1 26 26 TRP HB2 H 1 2.631 0.02 . 1 . . . . 26 TRP HB2 . 6963 1 576 . 2 1 26 26 TRP HB3 H 1 2.822 0.02 . 1 . . . . 26 TRP HB3 . 6963 1 577 . 2 1 26 26 TRP HD1 H 1 6.579 0.02 . 1 . . . . 26 TRP HD1 . 6963 1 578 . 2 1 26 26 TRP HE1 H 1 10.155 0.02 . 1 . . . . 26 TRP HE1 . 6963 1 579 . 2 1 26 26 TRP HE3 H 1 6.909 0.02 . 1 . . . . 26 TRP HE3 . 6963 1 580 . 2 1 26 26 TRP HZ2 H 1 7.448 0.02 . 1 . . . . 26 TRP HZ2 . 6963 1 581 . 2 1 26 26 TRP HZ3 H 1 6.941 0.02 . 1 . . . . 26 TRP HZ3 . 6963 1 582 . 2 1 26 26 TRP HH2 H 1 7.220 0.02 . 1 . . . . 26 TRP HH2 . 6963 1 583 . 2 1 27 27 ALA H H 1 8.914 0.02 . 1 . . . . 27 ALA H . 6963 1 584 . 2 1 27 27 ALA HA H 1 4.907 0.02 . 1 . . . . 27 ALA HA . 6963 1 585 . 2 1 27 27 ALA HB1 H 1 0.930 0.02 . 1 . . . . 27 ALA HB . 6963 1 586 . 2 1 27 27 ALA HB2 H 1 0.930 0.02 . 1 . . . . 27 ALA HB . 6963 1 587 . 2 1 27 27 ALA HB3 H 1 0.930 0.02 . 1 . . . . 27 ALA HB . 6963 1 588 . 2 1 28 28 TYR H H 1 10.534 0.02 . 1 . . . . 28 TYR H . 6963 1 589 . 2 1 28 28 TYR HA H 1 4.615 0.02 . 1 . . . . 28 TYR HA . 6963 1 590 . 2 1 28 28 TYR HB2 H 1 2.951 0.02 . 1 . . . . 28 TYR HB2 . 6963 1 591 . 2 1 28 28 TYR HB3 H 1 3.254 0.02 . 1 . . . . 28 TYR HB3 . 6963 1 592 . 2 1 28 28 TYR HD1 H 1 7.294 0.02 . 1 . . . . 28 TYR HD1 . 6963 1 593 . 2 1 28 28 TYR HD2 H 1 7.081 0.02 . 1 . . . . 28 TYR HD2 . 6963 1 594 . 2 1 28 28 TYR HE1 H 1 6.513 0.02 . 1 . . . . 28 TYR HE1 . 6963 1 595 . 2 1 28 28 TYR HE2 H 1 6.358 0.02 . 1 . . . . 28 TYR HE2 . 6963 1 596 . 2 1 29 29 SER H H 1 7.531 0.02 . 1 . . . . 29 SER H . 6963 1 597 . 2 1 29 29 SER HA H 1 5.029 0.02 . 1 . . . . 29 SER HA . 6963 1 598 . 2 1 29 29 SER HB2 H 1 3.675 0.02 . 1 . . . . 29 SER HB2 . 6963 1 599 . 2 1 29 29 SER HB3 H 1 3.796 0.02 . 1 . . . . 29 SER HB3 . 6963 1 600 . 2 1 30 30 PRO HA H 1 4.120 0.02 . 1 . . . . 30 PRO HA . 6963 1 601 . 2 1 30 30 PRO HB2 H 1 1.991 0.02 . 1 . . . . 30 PRO HB2 . 6963 1 602 . 2 1 30 30 PRO HB3 H 1 2.452 0.02 . 1 . . . . 30 PRO HB3 . 6963 1 603 . 2 1 30 30 PRO HG2 H 1 2.126 0.02 . 1 . . . . 30 PRO HG2 . 6963 1 604 . 2 1 30 30 PRO HG3 H 1 2.056 0.02 . 1 . . . . 30 PRO HG3 . 6963 1 605 . 2 1 30 30 PRO HD2 H 1 3.951 0.02 . 1 . . . . 30 PRO HD2 . 6963 1 606 . 2 1 30 30 PRO HD3 H 1 3.951 0.02 . 1 . . . . 30 PRO HD3 . 6963 1 607 . 2 1 31 31 LEU H H 1 7.252 0.02 . 1 . . . . 31 LEU H . 6963 1 608 . 2 1 31 31 LEU HA H 1 4.082 0.02 . 1 . . . . 31 LEU HA . 6963 1 609 . 2 1 31 31 LEU HB2 H 1 1.479 0.02 . 1 . . . . 31 LEU HB2 . 6963 1 610 . 2 1 31 31 LEU HB3 H 1 1.369 0.02 . 1 . . . . 31 LEU HB3 . 6963 1 611 . 2 1 31 31 LEU HG H 1 1.454 0.02 . 1 . . . . 31 LEU HG . 6963 1 612 . 2 1 31 31 LEU HD11 H 1 0.759 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 613 . 2 1 31 31 LEU HD12 H 1 0.759 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 614 . 2 1 31 31 LEU HD13 H 1 0.759 0.02 . 1 . . . . 31 LEU HD1 . 6963 1 615 . 2 1 31 31 LEU HD21 H 1 0.814 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 616 . 2 1 31 31 LEU HD22 H 1 0.814 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 617 . 2 1 31 31 LEU HD23 H 1 0.814 0.02 . 1 . . . . 31 LEU HD2 . 6963 1 618 . 2 1 32 32 LEU H H 1 7.273 0.02 . 1 . . . . 32 LEU H . 6963 1 619 . 2 1 32 32 LEU HA H 1 4.123 0.02 . 1 . . . . 32 LEU HA . 6963 1 620 . 2 1 32 32 LEU HB2 H 1 1.362 0.02 . 1 . . . . 32 LEU HB2 . 6963 1 621 . 2 1 32 32 LEU HB3 H 1 1.436 0.02 . 1 . . . . 32 LEU HB3 . 6963 1 622 . 2 1 32 32 LEU HG H 1 1.434 0.02 . 1 . . . . 32 LEU HG . 6963 1 623 . 2 1 32 32 LEU HD11 H 1 0.601 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 624 . 2 1 32 32 LEU HD12 H 1 0.601 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 625 . 2 1 32 32 LEU HD13 H 1 0.601 0.02 . 1 . . . . 32 LEU HD1 . 6963 1 626 . 2 1 32 32 LEU HD21 H 1 0.672 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 627 . 2 1 32 32 LEU HD22 H 1 0.672 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 628 . 2 1 32 32 LEU HD23 H 1 0.672 0.02 . 1 . . . . 32 LEU HD2 . 6963 1 629 . 2 1 33 33 GLN H H 1 8.124 0.02 . 1 . . . . 33 GLN H . 6963 1 630 . 2 1 33 33 GLN HA H 1 3.798 0.02 . 1 . . . . 33 GLN HA . 6963 1 631 . 2 1 33 33 GLN HB2 H 1 2.168 0.02 . 1 . . . . 33 GLN HB2 . 6963 1 632 . 2 1 33 33 GLN HB3 H 1 2.215 0.02 . 1 . . . . 33 GLN HB3 . 6963 1 633 . 2 1 33 33 GLN HG2 H 1 2.239 0.02 . 1 . . . . 33 GLN HG2 . 6963 1 634 . 2 1 33 33 GLN HG3 H 1 2.296 0.02 . 1 . . . . 33 GLN HG3 . 6963 1 635 . 2 1 33 33 GLN HE21 H 1 7.555 0.02 . 1 . . . . 33 GLN HE21 . 6963 1 636 . 2 1 33 33 GLN HE22 H 1 6.708 0.02 . 1 . . . . 33 GLN HE22 . 6963 1 637 . 2 1 34 34 GLN H H 1 6.860 0.02 . 1 . . . . 34 GLN H . 6963 1 638 . 2 1 34 34 GLN HA H 1 4.747 0.02 . 1 . . . . 34 GLN HA . 6963 1 639 . 2 1 34 34 GLN HB2 H 1 2.232 0.02 . 1 . . . . 34 GLN HB2 . 6963 1 640 . 2 1 34 34 GLN HB3 H 1 1.797 0.02 . 1 . . . . 34 GLN HB3 . 6963 1 641 . 2 1 34 34 GLN HG2 H 1 2.143 0.02 . 1 . . . . 34 GLN HG2 . 6963 1 642 . 2 1 34 34 GLN HG3 H 1 2.203 0.02 . 1 . . . . 34 GLN HG3 . 6963 1 643 . 2 1 34 34 GLN HE21 H 1 7.398 0.02 . 1 . . . . 34 GLN HE21 . 6963 1 644 . 2 1 34 34 GLN HE22 H 1 6.911 0.02 . 1 . . . . 34 GLN HE22 . 6963 1 645 . 2 1 35 35 CYS H H 1 9.366 0.02 . 1 . . . . 35 CYS H . 6963 1 646 . 2 1 35 35 CYS HA H 1 5.770 0.02 . 1 . . . . 35 CYS HA . 6963 1 647 . 2 1 35 35 CYS HB2 H 1 3.653 0.02 . 1 . . . . 35 CYS HB2 . 6963 1 648 . 2 1 35 35 CYS HB3 H 1 2.853 0.02 . 1 . . . . 35 CYS HB3 . 6963 1 649 . 2 1 36 36 HIS H H 1 9.771 0.02 . 1 . . . . 36 HIS H . 6963 1 650 . 2 1 36 36 HIS HA H 1 5.326 0.02 . 1 . . . . 36 HIS HA . 6963 1 651 . 2 1 36 36 HIS HB2 H 1 3.295 0.02 . 1 . . . . 36 HIS HB2 . 6963 1 652 . 2 1 36 36 HIS HB3 H 1 3.022 0.02 . 1 . . . . 36 HIS HB3 . 6963 1 653 . 2 1 36 36 HIS HD2 H 1 7.029 0.02 . 1 . . . . 36 HIS HD2 . 6963 1 654 . 2 1 36 36 HIS HE1 H 1 8.403 0.02 . 1 . . . . 36 HIS HE1 . 6963 1 655 . 2 1 37 37 PRO HA H 1 4.309 0.02 . 1 . . . . 37 PRO HA . 6963 1 656 . 2 1 37 37 PRO HB2 H 1 0.842 0.02 . 1 . . . . 37 PRO HB2 . 6963 1 657 . 2 1 37 37 PRO HB3 H 1 1.306 0.02 . 1 . . . . 37 PRO HB3 . 6963 1 658 . 2 1 37 37 PRO HG2 H 1 1.587 0.02 . 1 . . . . 37 PRO HG2 . 6963 1 659 . 2 1 37 37 PRO HG3 H 1 0.974 0.02 . 1 . . . . 37 PRO HG3 . 6963 1 660 . 2 1 37 37 PRO HD2 H 1 3.373 0.02 . 1 . . . . 37 PRO HD2 . 6963 1 661 . 2 1 37 37 PRO HD3 H 1 3.279 0.02 . 1 . . . . 37 PRO HD3 . 6963 1 662 . 2 1 38 38 PHE H H 1 8.815 0.02 . 1 . . . . 38 PHE H . 6963 1 663 . 2 1 38 38 PHE HA H 1 4.645 0.02 . 1 . . . . 38 PHE HA . 6963 1 664 . 2 1 38 38 PHE HB2 H 1 2.896 0.02 . 1 . . . . 38 PHE HB2 . 6963 1 665 . 2 1 38 38 PHE HB3 H 1 2.796 0.02 . 1 . . . . 38 PHE HB3 . 6963 1 666 . 2 1 38 38 PHE HD1 H 1 6.680 0.02 . 1 . . . . 38 PHE HD1 . 6963 1 667 . 2 1 38 38 PHE HD2 H 1 6.680 0.02 . 1 . . . . 38 PHE HD2 . 6963 1 668 . 2 1 38 38 PHE HE1 H 1 6.995 0.02 . 1 . . . . 38 PHE HE1 . 6963 1 669 . 2 1 38 38 PHE HE2 H 1 6.995 0.02 . 1 . . . . 38 PHE HE2 . 6963 1 670 . 2 1 38 38 PHE HZ H 1 6.748 0.02 . 1 . . . . 38 PHE HZ . 6963 1 671 . 2 1 39 39 VAL H H 1 8.273 0.02 . 1 . . . . 39 VAL H . 6963 1 672 . 2 1 39 39 VAL HA H 1 3.646 0.02 . 1 . . . . 39 VAL HA . 6963 1 673 . 2 1 39 39 VAL HB H 1 1.613 0.02 . 1 . . . . 39 VAL HB . 6963 1 674 . 2 1 39 39 VAL HG11 H 1 0.360 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 675 . 2 1 39 39 VAL HG12 H 1 0.360 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 676 . 2 1 39 39 VAL HG13 H 1 0.360 0.02 . 1 . . . . 39 VAL HG1 . 6963 1 677 . 2 1 39 39 VAL HG21 H 1 0.507 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 678 . 2 1 39 39 VAL HG22 H 1 0.507 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 679 . 2 1 39 39 VAL HG23 H 1 0.507 0.02 . 1 . . . . 39 VAL HG2 . 6963 1 680 . 2 1 40 40 TYR H H 1 8.495 0.02 . 1 . . . . 40 TYR H . 6963 1 681 . 2 1 40 40 TYR HA H 1 4.964 0.02 . 1 . . . . 40 TYR HA . 6963 1 682 . 2 1 40 40 TYR HB2 H 1 2.410 0.02 . 1 . . . . 40 TYR HB2 . 6963 1 683 . 2 1 40 40 TYR HB3 H 1 2.694 0.02 . 1 . . . . 40 TYR HB3 . 6963 1 684 . 2 1 40 40 TYR HD1 H 1 6.750 0.02 . 1 . . . . 40 TYR HD1 . 6963 1 685 . 2 1 40 40 TYR HD2 H 1 7.831 0.02 . 1 . . . . 40 TYR HD2 . 6963 1 686 . 2 1 40 40 TYR HE1 H 1 6.676 0.02 . 1 . . . . 40 TYR HE1 . 6963 1 687 . 2 1 40 40 TYR HE2 H 1 6.575 0.02 . 1 . . . . 40 TYR HE2 . 6963 1 688 . 2 1 41 41 GLY H H 1 8.727 0.02 . 1 . . . . 41 GLY H . 6963 1 689 . 2 1 41 41 GLY HA2 H 1 3.618 0.02 . 1 . . . . 41 GLY HA2 . 6963 1 690 . 2 1 41 41 GLY HA3 H 1 3.368 0.02 . 1 . . . . 41 GLY HA3 . 6963 1 691 . 2 1 42 42 GLY H H 1 4.407 0.02 . 1 . . . . 42 GLY H . 6963 1 692 . 2 1 42 42 GLY HA2 H 1 3.003 0.02 . 1 . . . . 42 GLY HA2 . 6963 1 693 . 2 1 42 42 GLY HA3 H 1 4.190 0.02 . 1 . . . . 42 GLY HA3 . 6963 1 694 . 2 1 43 43 CYS H H 1 7.558 0.02 . 1 . . . . 43 CYS H . 6963 1 695 . 2 1 43 43 CYS HA H 1 4.923 0.02 . 1 . . . . 43 CYS HA . 6963 1 696 . 2 1 43 43 CYS HB2 H 1 2.784 0.02 . 1 . . . . 43 CYS HB2 . 6963 1 697 . 2 1 43 43 CYS HB3 H 1 3.861 0.02 . 1 . . . . 43 CYS HB3 . 6963 1 698 . 2 1 44 44 GLU H H 1 9.188 0.02 . 1 . . . . 44 GLU H . 6963 1 699 . 2 1 44 44 GLU HA H 1 3.884 0.02 . 1 . . . . 44 GLU HA . 6963 1 700 . 2 1 44 44 GLU HB2 H 1 1.960 0.02 . 1 . . . . 44 GLU HB2 . 6963 1 701 . 2 1 44 44 GLU HB3 H 1 2.281 0.02 . 1 . . . . 44 GLU HB3 . 6963 1 702 . 2 1 44 44 GLU HG2 H 1 2.115 0.02 . 2 . . . . 44 GLU HG2 . 6963 1 703 . 2 1 44 44 GLU HG3 H 1 2.183 0.02 . 2 . . . . 44 GLU HG3 . 6963 1 704 . 2 1 45 45 GLY H H 1 8.374 0.02 . 1 . . . . 45 GLY H . 6963 1 705 . 2 1 45 45 GLY HA2 H 1 3.847 0.02 . 1 . . . . 45 GLY HA2 . 6963 1 706 . 2 1 45 45 GLY HA3 H 1 4.237 0.02 . 1 . . . . 45 GLY HA3 . 6963 1 707 . 2 1 46 46 ASN H H 1 8.028 0.02 . 1 . . . . 46 ASN H . 6963 1 708 . 2 1 46 46 ASN HA H 1 4.846 0.02 . 1 . . . . 46 ASN HA . 6963 1 709 . 2 1 46 46 ASN HB2 H 1 3.052 0.02 . 1 . . . . 46 ASN HB2 . 6963 1 710 . 2 1 46 46 ASN HB3 H 1 2.764 0.02 . 1 . . . . 46 ASN HB3 . 6963 1 711 . 2 1 46 46 ASN HD21 H 1 8.332 0.02 . 2 . . . . 46 ASN HD21 . 6963 1 712 . 2 1 46 46 ASN HD22 H 1 8.162 0.02 . 2 . . . . 46 ASN HD22 . 6963 1 713 . 2 1 47 47 GLY H H 1 8.156 0.02 . 1 . . . . 47 GLY H . 6963 1 714 . 2 1 47 47 GLY HA2 H 1 3.868 0.02 . 1 . . . . 47 GLY HA2 . 6963 1 715 . 2 1 47 47 GLY HA3 H 1 3.442 0.02 . 1 . . . . 47 GLY HA3 . 6963 1 716 . 2 1 48 48 ASN H H 1 8.058 0.02 . 1 . . . . 48 ASN H . 6963 1 717 . 2 1 48 48 ASN HA H 1 4.783 0.02 . 1 . . . . 48 ASN HA . 6963 1 718 . 2 1 48 48 ASN HB2 H 1 2.734 0.02 . 1 . . . . 48 ASN HB2 . 6963 1 719 . 2 1 48 48 ASN HB3 H 1 3.111 0.02 . 1 . . . . 48 ASN HB3 . 6963 1 720 . 2 1 48 48 ASN HD21 H 1 7.631 0.02 . 2 . . . . 48 ASN HD21 . 6963 1 721 . 2 1 48 48 ASN HD22 H 1 7.632 0.02 . 2 . . . . 48 ASN HD22 . 6963 1 722 . 2 1 49 49 ASN H H 1 6.243 0.02 . 1 . . . . 49 ASN H . 6963 1 723 . 2 1 49 49 ASN HA H 1 4.546 0.02 . 1 . . . . 49 ASN HA . 6963 1 724 . 2 1 49 49 ASN HB2 H 1 2.299 0.02 . 1 . . . . 49 ASN HB2 . 6963 1 725 . 2 1 49 49 ASN HB3 H 1 2.547 0.02 . 1 . . . . 49 ASN HB3 . 6963 1 726 . 2 1 49 49 ASN HD21 H 1 7.345 0.02 . 1 . . . . 49 ASN HD21 . 6963 1 727 . 2 1 49 49 ASN HD22 H 1 3.004 0.02 . 1 . . . . 49 ASN HD22 . 6963 1 728 . 2 1 50 50 PHE H H 1 9.632 0.02 . 1 . . . . 50 PHE H . 6963 1 729 . 2 1 50 50 PHE HA H 1 4.927 0.02 . 1 . . . . 50 PHE HA . 6963 1 730 . 2 1 50 50 PHE HB2 H 1 2.645 0.02 . 1 . . . . 50 PHE HB2 . 6963 1 731 . 2 1 50 50 PHE HB3 H 1 3.354 0.02 . 1 . . . . 50 PHE HB3 . 6963 1 732 . 2 1 50 50 PHE HD1 H 1 7.198 0.02 . 1 . . . . 50 PHE HD1 . 6963 1 733 . 2 1 50 50 PHE HD2 H 1 7.198 0.02 . 1 . . . . 50 PHE HD2 . 6963 1 734 . 2 1 50 50 PHE HE1 H 1 7.135 0.02 . 1 . . . . 50 PHE HE1 . 6963 1 735 . 2 1 50 50 PHE HE2 H 1 7.135 0.02 . 1 . . . . 50 PHE HE2 . 6963 1 736 . 2 1 50 50 PHE HZ H 1 7.046 0.02 . 1 . . . . 50 PHE HZ . 6963 1 737 . 2 1 51 51 HIS H H 1 9.833 0.02 . 1 . . . . 51 HIS H . 6963 1 738 . 2 1 51 51 HIS HA H 1 4.434 0.02 . 1 . . . . 51 HIS HA . 6963 1 739 . 2 1 51 51 HIS HB2 H 1 3.324 0.02 . 1 . . . . 51 HIS HB2 . 6963 1 740 . 2 1 51 51 HIS HB3 H 1 3.450 0.02 . 1 . . . . 51 HIS HB3 . 6963 1 741 . 2 1 51 51 HIS HD2 H 1 7.380 0.02 . 1 . . . . 51 HIS HD2 . 6963 1 742 . 2 1 52 52 SER H H 1 7.434 0.02 . 1 . . . . 52 SER H . 6963 1 743 . 2 1 52 52 SER HA H 1 4.344 0.02 . 1 . . . . 52 SER HA . 6963 1 744 . 2 1 52 52 SER HB2 H 1 3.955 0.02 . 1 . . . . 52 SER HB2 . 6963 1 745 . 2 1 52 52 SER HB3 H 1 3.798 0.02 . 1 . . . . 52 SER HB3 . 6963 1 746 . 2 1 53 53 ARG H H 1 7.795 0.02 . 1 . . . . 53 ARG H . 6963 1 747 . 2 1 53 53 ARG HA H 1 2.479 0.02 . 1 . . . . 53 ARG HA . 6963 1 748 . 2 1 53 53 ARG HB2 H 1 -0.773 0.02 . 1 . . . . 53 ARG HB2 . 6963 1 749 . 2 1 53 53 ARG HB3 H 1 0.678 0.02 . 1 . . . . 53 ARG HB3 . 6963 1 750 . 2 1 53 53 ARG HG2 H 1 0.761 0.02 . 1 . . . . 53 ARG HG2 . 6963 1 751 . 2 1 53 53 ARG HG3 H 1 0.991 0.02 . 1 . . . . 53 ARG HG3 . 6963 1 752 . 2 1 53 53 ARG HD2 H 1 2.790 0.02 . 1 . . . . 53 ARG HD2 . 6963 1 753 . 2 1 53 53 ARG HD3 H 1 2.847 0.02 . 1 . . . . 53 ARG HD3 . 6963 1 754 . 2 1 53 53 ARG HE H 1 7.277 0.02 . 1 . . . . 53 ARG HE . 6963 1 755 . 2 1 54 54 GLU H H 1 8.647 0.02 . 1 . . . . 54 GLU H . 6963 1 756 . 2 1 54 54 GLU HA H 1 3.654 0.02 . 1 . . . . 54 GLU HA . 6963 1 757 . 2 1 54 54 GLU HB2 H 1 1.818 0.02 . 1 . . . . 54 GLU HB2 . 6963 1 758 . 2 1 54 54 GLU HB3 H 1 1.671 0.02 . 1 . . . . 54 GLU HB3 . 6963 1 759 . 2 1 54 54 GLU HG2 H 1 2.053 0.02 . 1 . . . . 54 GLU HG2 . 6963 1 760 . 2 1 54 54 GLU HG3 H 1 2.249 0.02 . 1 . . . . 54 GLU HG3 . 6963 1 761 . 2 1 55 55 SER H H 1 7.797 0.02 . 1 . . . . 55 SER H . 6963 1 762 . 2 1 55 55 SER HA H 1 4.042 0.02 . 1 . . . . 55 SER HA . 6963 1 763 . 2 1 55 55 SER HB2 H 1 3.891 0.02 . 1 . . . . 55 SER HB2 . 6963 1 764 . 2 1 55 55 SER HB3 H 1 3.891 0.02 . 1 . . . . 55 SER HB3 . 6963 1 765 . 2 1 56 56 CYS H H 1 6.918 0.02 . 1 . . . . 56 CYS H . 6963 1 766 . 2 1 56 56 CYS HA H 1 2.124 0.02 . 1 . . . . 56 CYS HA . 6963 1 767 . 2 1 56 56 CYS HB2 H 1 2.780 0.02 . 1 . . . . 56 CYS HB2 . 6963 1 768 . 2 1 56 56 CYS HB3 H 1 3.185 0.02 . 1 . . . . 56 CYS HB3 . 6963 1 769 . 2 1 57 57 GLU H H 1 8.275 0.02 . 1 . . . . 57 GLU H . 6963 1 770 . 2 1 57 57 GLU HA H 1 3.714 0.02 . 1 . . . . 57 GLU HA . 6963 1 771 . 2 1 57 57 GLU HB2 H 1 1.829 0.02 . 2 . . . . 57 GLU HB2 . 6963 1 772 . 2 1 57 57 GLU HB3 H 1 1.905 0.02 . 2 . . . . 57 GLU HB3 . 6963 1 773 . 2 1 57 57 GLU HG2 H 1 2.314 0.02 . 2 . . . . 57 GLU HG2 . 6963 1 774 . 2 1 57 57 GLU HG3 H 1 2.462 0.02 . 2 . . . . 57 GLU HG3 . 6963 1 775 . 2 1 58 58 ASP H H 1 7.621 0.02 . 1 . . . . 58 ASP H . 6963 1 776 . 2 1 58 58 ASP HA H 1 4.313 0.02 . 1 . . . . 58 ASP HA . 6963 1 777 . 2 1 58 58 ASP HB2 H 1 2.569 0.02 . 1 . . . . 58 ASP HB2 . 6963 1 778 . 2 1 58 58 ASP HB3 H 1 2.569 0.02 . 1 . . . . 58 ASP HB3 . 6963 1 779 . 2 1 59 59 ALA H H 1 6.944 0.02 . 1 . . . . 59 ALA H . 6963 1 780 . 2 1 59 59 ALA HA H 1 4.103 0.02 . 1 . . . . 59 ALA HA . 6963 1 781 . 2 1 59 59 ALA HB1 H 1 1.268 0.02 . 1 . . . . 59 ALA HB . 6963 1 782 . 2 1 59 59 ALA HB2 H 1 1.268 0.02 . 1 . . . . 59 ALA HB . 6963 1 783 . 2 1 59 59 ALA HB3 H 1 1.268 0.02 . 1 . . . . 59 ALA HB . 6963 1 784 . 2 1 60 60 CYS H H 1 7.528 0.02 . 1 . . . . 60 CYS H . 6963 1 785 . 2 1 60 60 CYS HA H 1 4.848 0.02 . 1 . . . . 60 CYS HA . 6963 1 786 . 2 1 60 60 CYS HB2 H 1 2.006 0.02 . 1 . . . . 60 CYS HB2 . 6963 1 787 . 2 1 60 60 CYS HB3 H 1 1.496 0.02 . 1 . . . . 60 CYS HB3 . 6963 1 788 . 2 1 61 61 PRO HA H 1 4.361 0.02 . 1 . . . . 61 PRO HA . 6963 1 789 . 2 1 61 61 PRO HB2 H 1 1.858 0.02 . 1 . . . . 61 PRO HB2 . 6963 1 790 . 2 1 61 61 PRO HB3 H 1 1.828 0.02 . 1 . . . . 61 PRO HB3 . 6963 1 791 . 2 1 61 61 PRO HG2 H 1 1.692 0.02 . 1 . . . . 61 PRO HG2 . 6963 1 792 . 2 1 61 61 PRO HG3 H 1 1.692 0.02 . 1 . . . . 61 PRO HG3 . 6963 1 793 . 2 1 61 61 PRO HD2 H 1 3.203 0.02 . 1 . . . . 61 PRO HD2 . 6963 1 794 . 2 1 61 61 PRO HD3 H 1 2.824 0.02 . 1 . . . . 61 PRO HD3 . 6963 1 795 . 2 1 62 62 VAL H H 1 8.239 0.02 . 1 . . . . 62 VAL H . 6963 1 796 . 2 1 62 62 VAL HA H 1 4.067 0.02 . 1 . . . . 62 VAL HA . 6963 1 797 . 2 1 62 62 VAL HB H 1 2.099 0.02 . 1 . . . . 62 VAL HB . 6963 1 798 . 2 1 62 62 VAL HG11 H 1 0.884 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 799 . 2 1 62 62 VAL HG12 H 1 0.884 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 800 . 2 1 62 62 VAL HG13 H 1 0.884 0.02 . 1 . . . . 62 VAL HG1 . 6963 1 801 . 2 1 62 62 VAL HG21 H 1 0.946 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 802 . 2 1 62 62 VAL HG22 H 1 0.946 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 803 . 2 1 62 62 VAL HG23 H 1 0.946 0.02 . 1 . . . . 62 VAL HG2 . 6963 1 804 . 2 1 63 63 VAL H H 1 7.987 0.02 . 1 . . . . 63 VAL H . 6963 1 805 . 2 1 63 63 VAL HA H 1 3.970 0.02 . 1 . . . . 63 VAL HA . 6963 1 806 . 2 1 63 63 VAL HB H 1 1.903 0.02 . 1 . . . . 63 VAL HB . 6963 1 807 . 2 1 63 63 VAL HG11 H 1 0.739 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 808 . 2 1 63 63 VAL HG12 H 1 0.739 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 809 . 2 1 63 63 VAL HG13 H 1 0.739 0.02 . 1 . . . . 63 VAL HG1 . 6963 1 810 . 2 1 63 63 VAL HG21 H 1 0.822 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 811 . 2 1 63 63 VAL HG22 H 1 0.822 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 812 . 2 1 63 63 VAL HG23 H 1 0.822 0.02 . 1 . . . . 63 VAL HG2 . 6963 1 813 . 2 1 64 64 ASP H H 1 8.310 0.02 . 1 . . . . 64 ASP H . 6963 1 814 . 2 1 64 64 ASP HA H 1 4.477 0.02 . 1 . . . . 64 ASP HA . 6963 1 815 . 2 1 64 64 ASP HB2 H 1 2.579 0.02 . 2 . . . . 64 ASP HB2 . 6963 1 816 . 2 1 64 64 ASP HB3 H 1 2.617 0.02 . 2 . . . . 64 ASP HB3 . 6963 1 817 . 2 1 65 65 HIS H H 1 8.465 0.02 . 1 . . . . 65 HIS H . 6963 1 818 . 2 1 65 65 HIS HA H 1 4.487 0.02 . 1 . . . . 65 HIS HA . 6963 1 819 . 2 1 65 65 HIS HB2 H 1 2.894 0.02 . 1 . . . . 65 HIS HB2 . 6963 1 820 . 2 1 65 65 HIS HB3 H 1 3.151 0.02 . 1 . . . . 65 HIS HB3 . 6963 1 stop_ save_