data_10005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10005 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for ChitinaseC chitin binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-12 _Entry.Accession_date 2005-10-12 _Entry.Last_release_date 2007-06-13 _Entry.Original_release_date 2007-06-13 _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 Ken-ichi Akagi . . . 10005 2 Takahisa Ikegami . . . 10005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 10005 '15N chemical shifts' 61 10005 '1H chemical shifts' 301 10005 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-06-13 2005-10-12 original author . 10005 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10005 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16567413 _Citation.Full_citation . _Citation.Title ; Identification of the Substrate Interaction Region of the Chitin-Binding Domain of Streptomyces griseus Chitinase C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 139 _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 483 _Citation.Page_last 493 _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 Ken-ichi Akagi . . . 10005 1 2 Jun Watanabe . . . 10005 1 3 Masashi Hara . . . 10005 1 4 Yuichiro Kezuka . . . 10005 1 5 Eriko Chikaishi . . . 10005 1 6 Tohru Yamaguchi . . . 10005 1 7 Hideo Akutsu . . . 10005 1 8 Takamasa Nonaka . . . 10005 1 9 Takeshi Watanabe . . . 10005 1 10 Ikegami Takahisa . . . 10005 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ChBD 10005 1 Chitinase 10005 1 'Chitin Binding Domain' 10005 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10005 _Assembly.ID 1 _Assembly.Name 'ChiC ChBD' _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 'all disulfide bound' _Assembly.Molecular_mass 5700 _Assembly.Enzyme_commission_number 3.2.1.14 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10005 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ChBD 1 $ChBD_peptide . . yes native no no . . . 10005 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 10005 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2D49 . . . . . . 10005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ChBD_peptide _Entity.Sf_category entity _Entity.Sf_framecode ChBD_peptide _Entity.Entry_ID 10005 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ChitinaseC chitin binding 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 ; MATCATAWSSSSVYTNGGTV SYNGRNYTAKWWTQNERPGT SDVWADKGACGTGS ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5741 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WVU . "Crystal Structure Of Chitinase C From Streptomyces Griseus Hut6037" . . . . . 96.30 265 100.00 100.00 2.39e-26 . . . . 10005 1 2 no PDB 1WVV . "Crystal Structure Of Chitinase C Mutant E147q" . . . . . 96.30 265 100.00 100.00 2.32e-26 . . . . 10005 1 3 no PDB 2D49 . "Solution Structure Of The Chitin-Binding Domain Of Streptomyces Griseus Chitinase C" . . . . . 98.15 53 100.00 100.00 1.17e-27 . . . . 10005 1 4 no PDB 2DBT . "Crystal Structure Of Chitinase C From Streptomyces Griseus Hut6037" . . . . . 96.30 265 100.00 100.00 2.39e-26 . . . . 10005 1 5 no DBJ BAA23739 . "chitinase C [Streptomyces griseus]" . . . . . 96.30 294 100.00 100.00 1.74e-26 . . . . 10005 1 6 no DBJ BAG20229 . "chitinase C [Streptomyces griseus subsp. griseus NBRC 13350]" . . . . . 96.30 294 100.00 100.00 1.74e-26 . . . . 10005 1 7 no GB ADQ43777 . "ChiN, partial [Streptomyces sp. ABRIINW 18]" . . . . . 96.30 289 98.08 98.08 6.11e-26 . . . . 10005 1 8 no GB EGE43002 . "Chitinase [Streptomyces sp. ACT-1]" . . . . . 96.30 294 100.00 100.00 1.74e-26 . . . . 10005 1 9 no GB KND35043 . "chitinase [Streptomyces europaeiscabiei]" . . . . . 96.30 294 98.08 98.08 5.52e-26 . . . . 10005 1 10 no GB KPL31411 . "chitinase [Streptomyces anulatus]" . . . . . 96.30 294 98.08 98.08 5.52e-26 . . . . 10005 1 11 no GB KQX37120 . "chitinase [Streptomyces sp. Root1295]" . . . . . 96.30 294 98.08 98.08 5.52e-26 . . . . 10005 1 12 no REF WP_003967541 . "MULTISPECIES: chitinase [Streptomyces]" . . . . . 96.30 294 100.00 100.00 1.74e-26 . . . . 10005 1 13 no REF WP_026291187 . "chitinase [Streptomyces sp. CNB091]" . . . . . 96.30 293 98.08 98.08 5.29e-26 . . . . 10005 1 14 no REF WP_050358467 . "MULTISPECIES: chitinase [Streptomyces]" . . . . . 96.30 294 98.08 98.08 5.52e-26 . . . . 10005 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 . 10005 1 2 . ALA . 10005 1 3 . THR . 10005 1 4 . CYS . 10005 1 5 . ALA . 10005 1 6 . THR . 10005 1 7 . ALA . 10005 1 8 . TRP . 10005 1 9 . SER . 10005 1 10 . SER . 10005 1 11 . SER . 10005 1 12 . SER . 10005 1 13 . VAL . 10005 1 14 . TYR . 10005 1 15 . THR . 10005 1 16 . ASN . 10005 1 17 . GLY . 10005 1 18 . GLY . 10005 1 19 . THR . 10005 1 20 . VAL . 10005 1 21 . SER . 10005 1 22 . TYR . 10005 1 23 . ASN . 10005 1 24 . GLY . 10005 1 25 . ARG . 10005 1 26 . ASN . 10005 1 27 . TYR . 10005 1 28 . THR . 10005 1 29 . ALA . 10005 1 30 . LYS . 10005 1 31 . TRP . 10005 1 32 . TRP . 10005 1 33 . THR . 10005 1 34 . GLN . 10005 1 35 . ASN . 10005 1 36 . GLU . 10005 1 37 . ARG . 10005 1 38 . PRO . 10005 1 39 . GLY . 10005 1 40 . THR . 10005 1 41 . SER . 10005 1 42 . ASP . 10005 1 43 . VAL . 10005 1 44 . TRP . 10005 1 45 . ALA . 10005 1 46 . ASP . 10005 1 47 . LYS . 10005 1 48 . GLY . 10005 1 49 . ALA . 10005 1 50 . CYS . 10005 1 51 . GLY . 10005 1 52 . THR . 10005 1 53 . GLY . 10005 1 54 . SER . 10005 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 10005 1 . ALA 2 2 10005 1 . THR 3 3 10005 1 . CYS 4 4 10005 1 . ALA 5 5 10005 1 . THR 6 6 10005 1 . ALA 7 7 10005 1 . TRP 8 8 10005 1 . SER 9 9 10005 1 . SER 10 10 10005 1 . SER 11 11 10005 1 . SER 12 12 10005 1 . VAL 13 13 10005 1 . TYR 14 14 10005 1 . THR 15 15 10005 1 . ASN 16 16 10005 1 . GLY 17 17 10005 1 . GLY 18 18 10005 1 . THR 19 19 10005 1 . VAL 20 20 10005 1 . SER 21 21 10005 1 . TYR 22 22 10005 1 . ASN 23 23 10005 1 . GLY 24 24 10005 1 . ARG 25 25 10005 1 . ASN 26 26 10005 1 . TYR 27 27 10005 1 . THR 28 28 10005 1 . ALA 29 29 10005 1 . LYS 30 30 10005 1 . TRP 31 31 10005 1 . TRP 32 32 10005 1 . THR 33 33 10005 1 . GLN 34 34 10005 1 . ASN 35 35 10005 1 . GLU 36 36 10005 1 . ARG 37 37 10005 1 . PRO 38 38 10005 1 . GLY 39 39 10005 1 . THR 40 40 10005 1 . SER 41 41 10005 1 . ASP 42 42 10005 1 . VAL 43 43 10005 1 . TRP 44 44 10005 1 . ALA 45 45 10005 1 . ASP 46 46 10005 1 . LYS 47 47 10005 1 . GLY 48 48 10005 1 . ALA 49 49 10005 1 . CYS 50 50 10005 1 . GLY 51 51 10005 1 . THR 52 52 10005 1 . GLY 53 53 10005 1 . SER 54 54 10005 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 10005 _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 $ChBD_peptide . 66893 . . . 'Streptomyces griseinus' . . Bacteria . Streptomyces griseinus HUT6037 . . . . . . . . . . . . . . . . . . . . 10005 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 10005 _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 $ChBD_peptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10005 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10005 _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 'ChitinaseC chitin binding domain' '[U-13C; U-15N]' 1 $assembly 1 $ChBD_peptide . . 1.0 . . mM . . . . 10005 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10005 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.02 pH 10005 1 temperature 303 0.1 K 10005 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 10005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 10005 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _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 10005 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10005 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10005 1 3 '1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 4 '1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 5 NOESY-15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 6 TOCSY-15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 7 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 8 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 9 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 10 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 11 HBHA(CBCACO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 12 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 13 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 14 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 15 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 16 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10005 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_HSQC _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1H-1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-1H_TOCSY _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H 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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_1H-1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-1H_NOESY _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-1H 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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_NOESY-15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY-15N-HSQC _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NOESY-15N-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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_TOCSY-15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY-15N-HSQC _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-15N-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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(CA)CO _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCA(CO)NH _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCANH _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_HBHA(CBCACO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CBCACO)NH _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CBCACO)NH _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 10005 _NMR_spec_expt.ID 12 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name C(CO)NH _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_H(CCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name H(CCO)NH _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_(HB)CB(CGCD)HD _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCD)HD _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name (HB)CB(CGCD)HD _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_(HB)CB(CGCDCE)HE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCDCE)HE _NMR_spec_expt.Entry_ID 10005 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 10005 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10005 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10005 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10005 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_assignment_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignment_1 _Assigned_chem_shift_list.Entry_ID 10005 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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 '1H-15N HSQC' 1 $sample_1 isotoropic 10005 1 2 '1H-13C HSQC' 1 $sample_1 isotoropic 10005 1 3 '1H-1H TOCSY' 1 $sample_1 isotoropic 10005 1 4 '1H-1H NOESY' 1 $sample_1 isotoropic 10005 1 5 NOESY-15N-HSQC 1 $sample_1 isotoropic 10005 1 6 TOCSY-15N-HSQC 1 $sample_1 isotoropic 10005 1 7 HNCO 1 $sample_1 isotoropic 10005 1 8 HN(CA)CO 1 $sample_1 isotoropic 10005 1 9 CBCA(CO)NH 1 $sample_1 isotoropic 10005 1 10 CBCANH 1 $sample_1 isotoropic 10005 1 11 HBHA(CBCACO)NH 1 $sample_1 isotoropic 10005 1 12 HCCH-TOCSY 1 $sample_1 isotoropic 10005 1 13 C(CO)NH 1 $sample_1 isotoropic 10005 1 14 H(CCO)NH 1 $sample_1 isotoropic 10005 1 15 (HB)CB(CGCD)HD 1 $sample_1 isotoropic 10005 1 16 (HB)CB(CGCDCE)HE 1 $sample_1 isotoropic 10005 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 ALA H H 1 8.61 0.00 . 1 . . . . 2 ALA H . 10005 1 2 . 1 1 2 2 ALA HA H 1 4.47 0.00 . 1 . . . . 2 ALA HA . 10005 1 3 . 1 1 2 2 ALA HB1 H 1 1.38 0.01 . 1 . . . . 2 ALA HB . 10005 1 4 . 1 1 2 2 ALA HB2 H 1 1.38 0.01 . 1 . . . . 2 ALA HB . 10005 1 5 . 1 1 2 2 ALA HB3 H 1 1.38 0.01 . 1 . . . . 2 ALA HB . 10005 1 6 . 1 1 2 2 ALA C C 13 177.04 0.01 . 1 . . . . 2 ALA C . 10005 1 7 . 1 1 2 2 ALA CA C 13 51.80 0.04 . 1 . . . . 2 ALA CA . 10005 1 8 . 1 1 2 2 ALA CB C 13 19.84 0.02 . 1 . . . . 2 ALA CB . 10005 1 9 . 1 1 2 2 ALA N N 15 127.89 0.02 . 1 . . . . 2 ALA N . 10005 1 10 . 1 1 3 3 THR H H 1 8.41 0.01 . 1 . . . . 3 THR H . 10005 1 11 . 1 1 3 3 THR HA H 1 4.34 0.01 . 1 . . . . 3 THR HA . 10005 1 12 . 1 1 3 3 THR HB H 1 4.01 0.00 . 1 . . . . 3 THR HB . 10005 1 13 . 1 1 3 3 THR HG21 H 1 1.26 0.01 . 1 . . . . 3 THR HG2 . 10005 1 14 . 1 1 3 3 THR HG22 H 1 1.26 0.01 . 1 . . . . 3 THR HG2 . 10005 1 15 . 1 1 3 3 THR HG23 H 1 1.26 0.01 . 1 . . . . 3 THR HG2 . 10005 1 16 . 1 1 3 3 THR C C 13 176.40 0.02 . 1 . . . . 3 THR C . 10005 1 17 . 1 1 3 3 THR CA C 13 62.34 0.04 . 1 . . . . 3 THR CA . 10005 1 18 . 1 1 3 3 THR CB C 13 69.65 0.01 . 1 . . . . 3 THR CB . 10005 1 19 . 1 1 3 3 THR CG2 C 13 22.10 0.03 . 1 . . . . 3 THR CG2 . 10005 1 20 . 1 1 3 3 THR N N 15 116.70 0.03 . 1 . . . . 3 THR N . 10005 1 21 . 1 1 4 4 CYS HB2 H 1 2.71 0.01 . 2 . . . . 4 CYS HB3 . 10005 1 22 . 1 1 4 4 CYS H H 1 9.23 0.01 . 1 . . . . 4 CYS H . 10005 1 23 . 1 1 4 4 CYS HA H 1 4.84 0.01 . 1 . . . . 4 CYS HA . 10005 1 24 . 1 1 4 4 CYS HB3 H 1 3.13 0.00 . 2 . . . . 4 CYS HB3 . 10005 1 25 . 1 1 4 4 CYS C C 13 175.18 0.01 . 1 . . . . 4 CYS C . 10005 1 26 . 1 1 4 4 CYS CA C 13 54.53 0.04 . 1 . . . . 4 CYS CA . 10005 1 27 . 1 1 4 4 CYS CB C 13 39.24 0.04 . 1 . . . . 4 CYS CB . 10005 1 28 . 1 1 4 4 CYS N N 15 125.27 0.04 . 1 . . . . 4 CYS N . 10005 1 29 . 1 1 5 5 ALA H H 1 9.28 0.00 . 1 . . . . 5 ALA H . 10005 1 30 . 1 1 5 5 ALA HA H 1 4.38 0.00 . 1 . . . . 5 ALA HA . 10005 1 31 . 1 1 5 5 ALA HB1 H 1 1.30 0.01 . 1 . . . . 5 ALA HB . 10005 1 32 . 1 1 5 5 ALA HB2 H 1 1.30 0.01 . 1 . . . . 5 ALA HB . 10005 1 33 . 1 1 5 5 ALA HB3 H 1 1.30 0.01 . 1 . . . . 5 ALA HB . 10005 1 34 . 1 1 5 5 ALA C C 13 176.55 0.01 . 1 . . . . 5 ALA C . 10005 1 35 . 1 1 5 5 ALA CA C 13 50.99 0.05 . 1 . . . . 5 ALA CA . 10005 1 36 . 1 1 5 5 ALA CB C 13 19.42 0.09 . 1 . . . . 5 ALA CB . 10005 1 37 . 1 1 5 5 ALA N N 15 127.32 0.02 . 1 . . . . 5 ALA N . 10005 1 38 . 1 1 6 6 THR H H 1 8.35 0.00 . 1 . . . . 6 THR H . 10005 1 39 . 1 1 6 6 THR HA H 1 3.91 0.00 . 1 . . . . 6 THR HA . 10005 1 40 . 1 1 6 6 THR HB H 1 4.18 0.00 . 1 . . . . 6 THR HB . 10005 1 41 . 1 1 6 6 THR HG21 H 1 1.44 0.01 . 1 . . . . 6 THR HG2 . 10005 1 42 . 1 1 6 6 THR HG22 H 1 1.44 0.01 . 1 . . . . 6 THR HG2 . 10005 1 43 . 1 1 6 6 THR HG23 H 1 1.44 0.01 . 1 . . . . 6 THR HG2 . 10005 1 44 . 1 1 6 6 THR C C 13 173.97 0.01 . 1 . . . . 6 THR C . 10005 1 45 . 1 1 6 6 THR CA C 13 64.51 0.04 . 1 . . . . 6 THR CA . 10005 1 46 . 1 1 6 6 THR CB C 13 69.17 0.01 . 1 . . . . 6 THR CB . 10005 1 47 . 1 1 6 6 THR CG2 C 13 22.10 0.07 . 1 . . . . 6 THR CG2 . 10005 1 48 . 1 1 6 6 THR N N 15 119.19 0.04 . 1 . . . . 6 THR N . 10005 1 49 . 1 1 7 7 ALA H H 1 8.54 0.01 . 1 . . . . 7 ALA H . 10005 1 50 . 1 1 7 7 ALA HA H 1 4.54 0.01 . 1 . . . . 7 ALA HA . 10005 1 51 . 1 1 7 7 ALA HB1 H 1 1.48 0.01 . 1 . . . . 7 ALA HB . 10005 1 52 . 1 1 7 7 ALA HB2 H 1 1.48 0.01 . 1 . . . . 7 ALA HB . 10005 1 53 . 1 1 7 7 ALA HB3 H 1 1.48 0.01 . 1 . . . . 7 ALA HB . 10005 1 54 . 1 1 7 7 ALA C C 13 179.31 0.00 . 1 . . . . 7 ALA C . 10005 1 55 . 1 1 7 7 ALA CA C 13 53.02 0.02 . 1 . . . . 7 ALA CA . 10005 1 56 . 1 1 7 7 ALA CB C 13 18.92 0.03 . 1 . . . . 7 ALA CB . 10005 1 57 . 1 1 7 7 ALA N N 15 128.63 0.01 . 1 . . . . 7 ALA N . 10005 1 58 . 1 1 8 8 TRP HB2 H 1 3.14 0.01 . 2 . . . . 8 TRP HB3 . 10005 1 59 . 1 1 8 8 TRP H H 1 9.00 0.01 . 1 . . . . 8 TRP H . 10005 1 60 . 1 1 8 8 TRP HA H 1 3.99 0.01 . 1 . . . . 8 TRP HA . 10005 1 61 . 1 1 8 8 TRP HB3 H 1 2.55 0.01 . 2 . . . . 8 TRP HB3 . 10005 1 62 . 1 1 8 8 TRP HD1 H 1 6.40 0.00 . 1 . . . . 8 TRP HD1 . 10005 1 63 . 1 1 8 8 TRP HE1 H 1 9.76 0.00 . 1 . . . . 8 TRP HE1 . 10005 1 64 . 1 1 8 8 TRP HE3 H 1 7.42 0.00 . 1 . . . . 8 TRP HE3 . 10005 1 65 . 1 1 8 8 TRP HZ2 H 1 7.00 0.01 . 1 . . . . 8 TRP HZ2 . 10005 1 66 . 1 1 8 8 TRP HZ3 H 1 7.05 0.00 . 1 . . . . 8 TRP HZ3 . 10005 1 67 . 1 1 8 8 TRP HH2 H 1 6.74 0.00 . 1 . . . . 8 TRP HH2 . 10005 1 68 . 1 1 8 8 TRP C C 13 174.58 0.01 . 1 . . . . 8 TRP C . 10005 1 69 . 1 1 8 8 TRP CA C 13 59.93 0.02 . 1 . . . . 8 TRP CA . 10005 1 70 . 1 1 8 8 TRP CB C 13 28.81 0.03 . 1 . . . . 8 TRP CB . 10005 1 71 . 1 1 8 8 TRP CD1 C 13 126.1 0.01 . 1 . . . . 8 TRP CD1 . 10005 1 72 . 1 1 8 8 TRP CZ2 C 13 112.8 0.01 . 1 . . . . 8 TRP CZ2 . 10005 1 73 . 1 1 8 8 TRP N N 15 124.30 0.03 . 1 . . . . 8 TRP N . 10005 1 74 . 1 1 8 8 TRP NE1 N 15 129.28 0.02 . 1 . . . . 8 TRP NE1 . 10005 1 75 . 1 1 9 9 SER HB2 H 1 3.69 0.00 . 2 . . . . 9 SER HB3 . 10005 1 76 . 1 1 9 9 SER H H 1 7.62 0.00 . 1 . . . . 9 SER H . 10005 1 77 . 1 1 9 9 SER HA H 1 4.46 0.00 . 1 . . . . 9 SER HA . 10005 1 78 . 1 1 9 9 SER HB3 H 1 3.55 0.01 . 2 . . . . 9 SER HB3 . 10005 1 79 . 1 1 9 9 SER C C 13 174.90 0.02 . 1 . . . . 9 SER C . 10005 1 80 . 1 1 9 9 SER CA C 13 54.84 0.05 . 1 . . . . 9 SER CA . 10005 1 81 . 1 1 9 9 SER CB C 13 64.36 0.07 . 1 . . . . 9 SER CB . 10005 1 82 . 1 1 9 9 SER N N 15 121.79 0.02 . 1 . . . . 9 SER N . 10005 1 83 . 1 1 10 10 SER HB2 H 1 4.09 0.01 . 2 . . . . 10 SER HB3 . 10005 1 84 . 1 1 10 10 SER H H 1 8.32 0.01 . 1 . . . . 10 SER H . 10005 1 85 . 1 1 10 10 SER HA H 1 3.32 0.00 . 1 . . . . 10 SER HA . 10005 1 86 . 1 1 10 10 SER HB3 H 1 3.60 0.00 . 2 . . . . 10 SER HB3 . 10005 1 87 . 1 1 10 10 SER C C 13 173.72 0.02 . 1 . . . . 10 SER C . 10005 1 88 . 1 1 10 10 SER CA C 13 60.41 0.08 . 1 . . . . 10 SER CA . 10005 1 89 . 1 1 10 10 SER CB C 13 63.14 0.08 . 1 . . . . 10 SER CB . 10005 1 90 . 1 1 10 10 SER N N 15 123.54 0.03 . 1 . . . . 10 SER N . 10005 1 91 . 1 1 11 11 SER HB2 H 1 3.82 0.00 . 2 . . . . 11 SER HB3 . 10005 1 92 . 1 1 11 11 SER H H 1 7.49 0.01 . 1 . . . . 11 SER H . 10005 1 93 . 1 1 11 11 SER HA H 1 4.42 0.00 . 1 . . . . 11 SER HA . 10005 1 94 . 1 1 11 11 SER HB3 H 1 3.67 0.01 . 2 . . . . 11 SER HB3 . 10005 1 95 . 1 1 11 11 SER C C 13 175.84 0.00 . 1 . . . . 11 SER C . 10005 1 96 . 1 1 11 11 SER CA C 13 58.19 0.01 . 1 . . . . 11 SER CA . 10005 1 97 . 1 1 11 11 SER CB C 13 64.01 0.03 . 1 . . . . 11 SER CB . 10005 1 98 . 1 1 11 11 SER N N 15 111.93 0.01 . 1 . . . . 11 SER N . 10005 1 99 . 1 1 12 12 SER HB2 H 1 3.44 0.00 . 2 . . . . 12 SER HB3 . 10005 1 100 . 1 1 12 12 SER H H 1 6.75 0.00 . 1 . . . . 12 SER H . 10005 1 101 . 1 1 12 12 SER HA H 1 4.20 0.00 . 1 . . . . 12 SER HA . 10005 1 102 . 1 1 12 12 SER HB3 H 1 3.12 0.01 . 2 . . . . 12 SER HB3 . 10005 1 103 . 1 1 12 12 SER C C 13 171.77 0.01 . 1 . . . . 12 SER C . 10005 1 104 . 1 1 12 12 SER CA C 13 59.22 0.05 . 1 . . . . 12 SER CA . 10005 1 105 . 1 1 12 12 SER CB C 13 64.32 0.04 . 1 . . . . 12 SER CB . 10005 1 106 . 1 1 12 12 SER N N 15 119.05 0.04 . 1 . . . . 12 SER N . 10005 1 107 . 1 1 13 13 VAL H H 1 8.06 0.00 . 1 . . . . 13 VAL H . 10005 1 108 . 1 1 13 13 VAL HA H 1 4.01 0.00 . 1 . . . . 13 VAL HA . 10005 1 109 . 1 1 13 13 VAL HB H 1 1.57 0.00 . 1 . . . . 13 VAL HB . 10005 1 110 . 1 1 13 13 VAL HG11 H 1 0.28 0.01 . 1 . . . . 13 VAL HG1 . 10005 1 111 . 1 1 13 13 VAL HG12 H 1 0.28 0.01 . 1 . . . . 13 VAL HG1 . 10005 1 112 . 1 1 13 13 VAL HG13 H 1 0.28 0.01 . 1 . . . . 13 VAL HG1 . 10005 1 113 . 1 1 13 13 VAL HG21 H 1 0.76 0.01 . 1 . . . . 13 VAL HG2 . 10005 1 114 . 1 1 13 13 VAL HG22 H 1 0.76 0.01 . 1 . . . . 13 VAL HG2 . 10005 1 115 . 1 1 13 13 VAL HG23 H 1 0.76 0.01 . 1 . . . . 13 VAL HG2 . 10005 1 116 . 1 1 13 13 VAL C C 13 175.49 0.01 . 1 . . . . 13 VAL C . 10005 1 117 . 1 1 13 13 VAL CA C 13 61.55 0.02 . 1 . . . . 13 VAL CA . 10005 1 118 . 1 1 13 13 VAL CB C 13 32.69 0.03 . 1 . . . . 13 VAL CB . 10005 1 119 . 1 1 13 13 VAL CG1 C 13 21.12 0.05 . 1 . . . . 13 VAL CG1 . 10005 1 120 . 1 1 13 13 VAL CG2 C 13 21.43 0.05 . 1 . . . . 13 VAL CG2 . 10005 1 121 . 1 1 13 13 VAL N N 15 123.28 0.01 . 1 . . . . 13 VAL N . 10005 1 122 . 1 1 14 14 TYR HB2 H 1 2.80 0.01 . 2 . . . . 14 TYR HB3 . 10005 1 123 . 1 1 14 14 TYR H H 1 8.62 0.00 . 1 . . . . 14 TYR H . 10005 1 124 . 1 1 14 14 TYR HA H 1 4.78 0.01 . 1 . . . . 14 TYR HA . 10005 1 125 . 1 1 14 14 TYR HB3 H 1 2.58 0.01 . 2 . . . . 14 TYR HB3 . 10005 1 126 . 1 1 14 14 TYR HD1 H 1 7.20 0.01 . 3 . . . . 14 TYR HD1 . 10005 1 127 . 1 1 14 14 TYR HE1 H 1 6.87 0.01 . 3 . . . . 14 TYR HE1 . 10005 1 128 . 1 1 14 14 TYR C C 13 173.32 0.01 . 1 . . . . 14 TYR C . 10005 1 129 . 1 1 14 14 TYR CA C 13 56.19 0.03 . 1 . . . . 14 TYR CA . 10005 1 130 . 1 1 14 14 TYR CB C 13 40.61 0.07 . 1 . . . . 14 TYR CB . 10005 1 131 . 1 1 14 14 TYR CE2 C 13 119.5 0.01 . 3 . . . . 14 TYR CE2 . 10005 1 132 . 1 1 14 14 TYR N N 15 126.74 0.02 . 1 . . . . 14 TYR N . 10005 1 133 . 1 1 15 15 THR H H 1 8.12 0.00 . 1 . . . . 15 THR H . 10005 1 134 . 1 1 15 15 THR HA H 1 4.28 0.01 . 1 . . . . 15 THR HA . 10005 1 135 . 1 1 15 15 THR HB H 1 4.32 0.01 . 1 . . . . 15 THR HB . 10005 1 136 . 1 1 15 15 THR HG21 H 1 1.11 0.01 . 1 . . . . 15 THR HG2 . 10005 1 137 . 1 1 15 15 THR HG22 H 1 1.11 0.01 . 1 . . . . 15 THR HG2 . 10005 1 138 . 1 1 15 15 THR HG23 H 1 1.11 0.01 . 1 . . . . 15 THR HG2 . 10005 1 139 . 1 1 15 15 THR C C 13 173.12 0.01 . 1 . . . . 15 THR C . 10005 1 140 . 1 1 15 15 THR CA C 13 59.19 0.05 . 1 . . . . 15 THR CA . 10005 1 141 . 1 1 15 15 THR CB C 13 70.87 0.02 . 1 . . . . 15 THR CB . 10005 1 142 . 1 1 15 15 THR CG2 C 13 21.57 0.04 . 1 . . . . 15 THR CG2 . 10005 1 143 . 1 1 15 15 THR N N 15 109.17 0.01 . 1 . . . . 15 THR N . 10005 1 144 . 1 1 16 16 ASN HB2 H 1 2.68 0.01 . 2 . . . . 16 ASN HB3 . 10005 1 145 . 1 1 16 16 ASN H H 1 8.19 0.00 . 1 . . . . 16 ASN H . 10005 1 146 . 1 1 16 16 ASN HA H 1 3.87 0.01 . 1 . . . . 16 ASN HA . 10005 1 147 . 1 1 16 16 ASN HB3 H 1 2.64 0.01 . 2 . . . . 16 ASN HB3 . 10005 1 148 . 1 1 16 16 ASN HD21 H 1 7.51 0.01 . 2 . . . . 16 ASN HD21 . 10005 1 149 . 1 1 16 16 ASN HD22 H 1 6.84 0.00 . 2 . . . . 16 ASN HD22 . 10005 1 150 . 1 1 16 16 ASN C C 13 176.59 0.00 . 1 . . . . 16 ASN C . 10005 1 151 . 1 1 16 16 ASN CA C 13 55.03 0.02 . 1 . . . . 16 ASN CA . 10005 1 152 . 1 1 16 16 ASN CB C 13 38.64 0.06 . 1 . . . . 16 ASN CB . 10005 1 153 . 1 1 16 16 ASN N N 15 114.72 0.01 . 1 . . . . 16 ASN N . 10005 1 154 . 1 1 16 16 ASN ND2 N 15 112.00 0.02 . 1 . . . . 16 ASN ND2 . 10005 1 155 . 1 1 17 17 GLY HA2 H 1 4.45 0.01 . 2 . . . . 17 GLY HA3 . 10005 1 156 . 1 1 17 17 GLY H H 1 8.85 0.00 . 1 . . . . 17 GLY H . 10005 1 157 . 1 1 17 17 GLY HA3 H 1 3.48 0.01 . 2 . . . . 17 GLY HA3 . 10005 1 158 . 1 1 17 17 GLY C C 13 175.47 0.00 . 1 . . . . 17 GLY C . 10005 1 159 . 1 1 17 17 GLY CA C 13 45.03 0.02 . 1 . . . . 17 GLY CA . 10005 1 160 . 1 1 17 17 GLY N N 15 114.97 0.02 . 1 . . . . 17 GLY N . 10005 1 161 . 1 1 18 18 GLY HA2 H 1 4.28 0.00 . 2 . . . . 18 GLY HA3 . 10005 1 162 . 1 1 18 18 GLY H H 1 9.07 0.01 . 1 . . . . 18 GLY H . 10005 1 163 . 1 1 18 18 GLY HA3 H 1 3.94 0.01 . 2 . . . . 18 GLY HA3 . 10005 1 164 . 1 1 18 18 GLY C C 13 172.84 0.00 . 1 . . . . 18 GLY C . 10005 1 165 . 1 1 18 18 GLY CA C 13 46.90 0.01 . 1 . . . . 18 GLY CA . 10005 1 166 . 1 1 18 18 GLY N N 15 112.29 0.02 . 1 . . . . 18 GLY N . 10005 1 167 . 1 1 19 19 THR H H 1 8.64 0.01 . 1 . . . . 19 THR H . 10005 1 168 . 1 1 19 19 THR HA H 1 5.86 0.01 . 1 . . . . 19 THR HA . 10005 1 169 . 1 1 19 19 THR HB H 1 4.01 0.00 . 1 . . . . 19 THR HB . 10005 1 170 . 1 1 19 19 THR HG21 H 1 1.16 0.01 . 1 . . . . 19 THR HG2 . 10005 1 171 . 1 1 19 19 THR HG22 H 1 1.16 0.01 . 1 . . . . 19 THR HG2 . 10005 1 172 . 1 1 19 19 THR HG23 H 1 1.16 0.01 . 1 . . . . 19 THR HG2 . 10005 1 173 . 1 1 19 19 THR C C 13 173.83 0.01 . 1 . . . . 19 THR C . 10005 1 174 . 1 1 19 19 THR CA C 13 61.67 0.05 . 1 . . . . 19 THR CA . 10005 1 175 . 1 1 19 19 THR CB C 13 71.26 0.02 . 1 . . . . 19 THR CB . 10005 1 176 . 1 1 19 19 THR CG2 C 13 20.43 0.02 . 1 . . . . 19 THR CG2 . 10005 1 177 . 1 1 19 19 THR N N 15 121.21 0.01 . 1 . . . . 19 THR N . 10005 1 178 . 1 1 20 20 VAL H H 1 9.03 0.00 . 1 . . . . 20 VAL H . 10005 1 179 . 1 1 20 20 VAL HA H 1 5.34 0.01 . 1 . . . . 20 VAL HA . 10005 1 180 . 1 1 20 20 VAL HB H 1 2.16 0.01 . 1 . . . . 20 VAL HB . 10005 1 181 . 1 1 20 20 VAL HG11 H 1 0.60 0.01 . 1 . . . . 20 VAL HG1 . 10005 1 182 . 1 1 20 20 VAL HG12 H 1 0.60 0.01 . 1 . . . . 20 VAL HG1 . 10005 1 183 . 1 1 20 20 VAL HG13 H 1 0.60 0.01 . 1 . . . . 20 VAL HG1 . 10005 1 184 . 1 1 20 20 VAL HG21 H 1 -0.15 0.01 . 1 . . . . 20 VAL HG2 . 10005 1 185 . 1 1 20 20 VAL HG22 H 1 -0.15 0.01 . 1 . . . . 20 VAL HG2 . 10005 1 186 . 1 1 20 20 VAL HG23 H 1 -0.15 0.01 . 1 . . . . 20 VAL HG2 . 10005 1 187 . 1 1 20 20 VAL C C 13 174.21 0.03 . 1 . . . . 20 VAL C . 10005 1 188 . 1 1 20 20 VAL CA C 13 58.07 0.02 . 1 . . . . 20 VAL CA . 10005 1 189 . 1 1 20 20 VAL CB C 13 36.33 0.02 . 1 . . . . 20 VAL CB . 10005 1 190 . 1 1 20 20 VAL CG1 C 13 23.48 0.04 . 1 . . . . 20 VAL CG1 . 10005 1 191 . 1 1 20 20 VAL CG2 C 13 18.36 0.01 . 1 . . . . 20 VAL CG2 . 10005 1 192 . 1 1 20 20 VAL N N 15 118.39 0.01 . 1 . . . . 20 VAL N . 10005 1 193 . 1 1 21 21 SER HB2 H 1 4.04 0.01 . 2 . . . . 21 SER HB3 . 10005 1 194 . 1 1 21 21 SER H H 1 8.11 0.01 . 1 . . . . 21 SER H . 10005 1 195 . 1 1 21 21 SER HA H 1 5.99 0.01 . 1 . . . . 21 SER HA . 10005 1 196 . 1 1 21 21 SER HB3 H 1 3.63 0.01 . 2 . . . . 21 SER HB3 . 10005 1 197 . 1 1 21 21 SER C C 13 174.83 0.01 . 1 . . . . 21 SER C . 10005 1 198 . 1 1 21 21 SER CA C 13 56.07 0.03 . 1 . . . . 21 SER CA . 10005 1 199 . 1 1 21 21 SER CB C 13 67.89 0.09 . 1 . . . . 21 SER CB . 10005 1 200 . 1 1 21 21 SER N N 15 110.94 0.02 . 1 . . . . 21 SER N . 10005 1 201 . 1 1 22 22 TYR HB2 H 1 2.65 0.01 . 2 . . . . 22 TYR HB3 . 10005 1 202 . 1 1 22 22 TYR H H 1 9.21 0.00 . 1 . . . . 22 TYR H . 10005 1 203 . 1 1 22 22 TYR HA H 1 4.60 0.00 . 1 . . . . 22 TYR HA . 10005 1 204 . 1 1 22 22 TYR HB3 H 1 2.38 0.01 . 2 . . . . 22 TYR HB3 . 10005 1 205 . 1 1 22 22 TYR HD1 H 1 6.93 0.00 . 3 . . . . 22 TYR HD1 . 10005 1 206 . 1 1 22 22 TYR HE1 H 1 6.72 0.00 . 3 . . . . 22 TYR HE1 . 10005 1 207 . 1 1 22 22 TYR C C 13 175.07 0.03 . 1 . . . . 22 TYR C . 10005 1 208 . 1 1 22 22 TYR CA C 13 59.11 0.03 . 1 . . . . 22 TYR CA . 10005 1 209 . 1 1 22 22 TYR CB C 13 40.96 0.01 . 1 . . . . 22 TYR CB . 10005 1 210 . 1 1 22 22 TYR CD1 C 13 132.96 0.00 . 3 . . . . 22 TYR CD1 . 10005 1 211 . 1 1 22 22 TYR CE1 C 13 118.36 0.00 . 3 . . . . 22 TYR CE1 . 10005 1 212 . 1 1 22 22 TYR N N 15 119.38 0.02 . 1 . . . . 22 TYR N . 10005 1 213 . 1 1 23 23 ASN HB2 H 1 2.93 0.01 . 2 . . . . 23 ASN HB3 . 10005 1 214 . 1 1 23 23 ASN H H 1 8.80 0.00 . 1 . . . . 23 ASN H . 10005 1 215 . 1 1 23 23 ASN HA H 1 4.11 0.00 . 1 . . . . 23 ASN HA . 10005 1 216 . 1 1 23 23 ASN HB3 H 1 2.01 0.01 . 2 . . . . 23 ASN HB3 . 10005 1 217 . 1 1 23 23 ASN HD21 H 1 7.14 0.00 . 2 . . . . 23 ASN HD21 . 10005 1 218 . 1 1 23 23 ASN HD22 H 1 6.53 0.00 . 2 . . . . 23 ASN HD22 . 10005 1 219 . 1 1 23 23 ASN C C 13 174.99 0.09 . 1 . . . . 23 ASN C . 10005 1 220 . 1 1 23 23 ASN CA C 13 53.38 0.02 . 1 . . . . 23 ASN CA . 10005 1 221 . 1 1 23 23 ASN CB C 13 37.48 0.04 . 1 . . . . 23 ASN CB . 10005 1 222 . 1 1 23 23 ASN N N 15 128.01 0.03 . 1 . . . . 23 ASN N . 10005 1 223 . 1 1 23 23 ASN ND2 N 15 110.52 0.01 . 1 . . . . 23 ASN ND2 . 10005 1 224 . 1 1 24 24 GLY HA2 H 1 4.04 0.01 . 2 . . . . 24 GLY HA3 . 10005 1 225 . 1 1 24 24 GLY H H 1 8.78 0.00 . 1 . . . . 24 GLY H . 10005 1 226 . 1 1 24 24 GLY HA3 H 1 3.63 0.00 . 2 . . . . 24 GLY HA3 . 10005 1 227 . 1 1 24 24 GLY C C 13 174.28 0.02 . 1 . . . . 24 GLY C . 10005 1 228 . 1 1 24 24 GLY CA C 13 46.20 0.03 . 1 . . . . 24 GLY CA . 10005 1 229 . 1 1 24 24 GLY N N 15 102.98 0.02 . 1 . . . . 24 GLY N . 10005 1 230 . 1 1 25 25 ARG HB2 H 1 1.37 0.01 . 2 . . . . 25 ARG HB3 . 10005 1 231 . 1 1 25 25 ARG HD2 H 1 3.31 0.01 . 2 . . . . 25 ARG HD3 . 10005 1 232 . 1 1 25 25 ARG HG2 H 1 1.53 0.01 . 2 . . . . 25 ARG HG3 . 10005 1 233 . 1 1 25 25 ARG H H 1 7.47 0.01 . 1 . . . . 25 ARG H . 10005 1 234 . 1 1 25 25 ARG HA H 1 4.73 0.01 . 1 . . . . 25 ARG HA . 10005 1 235 . 1 1 25 25 ARG HB3 H 1 1.23 0.00 . 2 . . . . 25 ARG HB3 . 10005 1 236 . 1 1 25 25 ARG HG3 H 1 1.18 0.01 . 2 . . . . 25 ARG HG3 . 10005 1 237 . 1 1 25 25 ARG HD3 H 1 2.92 0.00 . 2 . . . . 25 ARG HD3 . 10005 1 238 . 1 1 25 25 ARG C C 13 174.59 0.02 . 1 . . . . 25 ARG C . 10005 1 239 . 1 1 25 25 ARG CA C 13 54.62 0.02 . 1 . . . . 25 ARG CA . 10005 1 240 . 1 1 25 25 ARG CB C 13 33.93 0.01 . 1 . . . . 25 ARG CB . 10005 1 241 . 1 1 25 25 ARG CG C 13 28.27 0.04 . 1 . . . . 25 ARG CG . 10005 1 242 . 1 1 25 25 ARG CD C 13 42.99 0.01 . 1 . . . . 25 ARG CD . 10005 1 243 . 1 1 25 25 ARG N N 15 117.65 0.01 . 1 . . . . 25 ARG N . 10005 1 244 . 1 1 26 26 ASN HB2 H 1 2.30 0.01 . 2 . . . . 26 ASN HB3 . 10005 1 245 . 1 1 26 26 ASN H H 1 8.11 0.00 . 1 . . . . 26 ASN H . 10005 1 246 . 1 1 26 26 ASN HA H 1 5.70 0.01 . 1 . . . . 26 ASN HA . 10005 1 247 . 1 1 26 26 ASN HB3 H 1 2.25 0.01 . 2 . . . . 26 ASN HB3 . 10005 1 248 . 1 1 26 26 ASN HD21 H 1 7.35 0.00 . 2 . . . . 26 ASN HD21 . 10005 1 249 . 1 1 26 26 ASN HD22 H 1 6.70 0.00 . 2 . . . . 26 ASN HD22 . 10005 1 250 . 1 1 26 26 ASN C C 13 174.26 0.04 . 1 . . . . 26 ASN C . 10005 1 251 . 1 1 26 26 ASN CA C 13 51.23 0.03 . 1 . . . . 26 ASN CA . 10005 1 252 . 1 1 26 26 ASN CB C 13 40.90 0.03 . 1 . . . . 26 ASN CB . 10005 1 253 . 1 1 26 26 ASN N N 15 118.27 0.01 . 1 . . . . 26 ASN N . 10005 1 254 . 1 1 26 26 ASN ND2 N 15 108.73 0.01 . 1 . . . . 26 ASN ND2 . 10005 1 255 . 1 1 27 27 TYR HB2 H 1 2.86 0.01 . 2 . . . . 27 TYR HB3 . 10005 1 256 . 1 1 27 27 TYR H H 1 9.42 0.00 . 1 . . . . 27 TYR H . 10005 1 257 . 1 1 27 27 TYR HA H 1 5.52 0.01 . 1 . . . . 27 TYR HA . 10005 1 258 . 1 1 27 27 TYR HB3 H 1 2.12 0.01 . 2 . . . . 27 TYR HB3 . 10005 1 259 . 1 1 27 27 TYR HD1 H 1 6.59 0.01 . 3 . . . . 27 TYR HD1 . 10005 1 260 . 1 1 27 27 TYR HE1 H 1 6.84 0.01 . 3 . . . . 27 TYR HE1 . 10005 1 261 . 1 1 27 27 TYR C C 13 175.25 0.01 . 1 . . . . 27 TYR C . 10005 1 262 . 1 1 27 27 TYR CA C 13 56.59 0.03 . 1 . . . . 27 TYR CA . 10005 1 263 . 1 1 27 27 TYR CB C 13 44.86 0.02 . 1 . . . . 27 TYR CB . 10005 1 264 . 1 1 27 27 TYR CD1 C 13 132.89 0.00 . 3 . . . . 27 TYR CD1 . 10005 1 265 . 1 1 27 27 TYR CE1 C 13 118.6 0.00 . 3 . . . . 27 TYR CE1 . 10005 1 266 . 1 1 27 27 TYR N N 15 115.68 0.01 . 1 . . . . 27 TYR N . 10005 1 267 . 1 1 28 28 THR H H 1 9.03 0.00 . 1 . . . . 28 THR H . 10005 1 268 . 1 1 28 28 THR HA H 1 5.70 0.01 . 1 . . . . 28 THR HA . 10005 1 269 . 1 1 28 28 THR HB H 1 3.66 0.00 . 1 . . . . 28 THR HB . 10005 1 270 . 1 1 28 28 THR HG21 H 1 1.19 0.01 . 1 . . . . 28 THR HG2 . 10005 1 271 . 1 1 28 28 THR HG22 H 1 1.19 0.01 . 1 . . . . 28 THR HG2 . 10005 1 272 . 1 1 28 28 THR HG23 H 1 1.19 0.01 . 1 . . . . 28 THR HG2 . 10005 1 273 . 1 1 28 28 THR C C 13 174.12 0.01 . 1 . . . . 28 THR C . 10005 1 274 . 1 1 28 28 THR CA C 13 60.95 0.01 . 1 . . . . 28 THR CA . 10005 1 275 . 1 1 28 28 THR CB C 13 72.16 0.05 . 1 . . . . 28 THR CB . 10005 1 276 . 1 1 28 28 THR CG2 C 13 22.43 0.05 . 1 . . . . 28 THR CG2 . 10005 1 277 . 1 1 28 28 THR N N 15 116.28 0.01 . 1 . . . . 28 THR N . 10005 1 278 . 1 1 29 29 ALA H H 1 9.25 0.00 . 1 . . . . 29 ALA H . 10005 1 279 . 1 1 29 29 ALA HA H 1 3.74 0.01 . 1 . . . . 29 ALA HA . 10005 1 280 . 1 1 29 29 ALA HB1 H 1 0.58 0.01 . 1 . . . . 29 ALA HB . 10005 1 281 . 1 1 29 29 ALA HB2 H 1 0.58 0.01 . 1 . . . . 29 ALA HB . 10005 1 282 . 1 1 29 29 ALA HB3 H 1 0.58 0.01 . 1 . . . . 29 ALA HB . 10005 1 283 . 1 1 29 29 ALA C C 13 179.46 0.01 . 1 . . . . 29 ALA C . 10005 1 284 . 1 1 29 29 ALA CA C 13 52.24 0.01 . 1 . . . . 29 ALA CA . 10005 1 285 . 1 1 29 29 ALA CB C 13 16.96 0.02 . 1 . . . . 29 ALA CB . 10005 1 286 . 1 1 29 29 ALA N N 15 133.22 0.02 . 1 . . . . 29 ALA N . 10005 1 287 . 1 1 30 30 LYS HG2 H 1 1.28 0.01 . 2 . . . . 30 LYS HG3 . 10005 1 288 . 1 1 30 30 LYS HE2 H 1 2.64 0.00 . 2 . . . . 30 LYS HE3 . 10005 1 289 . 1 1 30 30 LYS HD2 H 1 1.63 0.01 . 2 . . . . 30 LYS HD3 . 10005 1 290 . 1 1 30 30 LYS H H 1 8.48 0.00 . 1 . . . . 30 LYS H . 10005 1 291 . 1 1 30 30 LYS HA H 1 4.16 0.00 . 1 . . . . 30 LYS HA . 10005 1 292 . 1 1 30 30 LYS HB2 H 1 1.88 0.01 . 2 . . . . 30 LYS HB2 . 10005 1 293 . 1 1 30 30 LYS HB3 H 1 0.63 0.02 . 2 . . . . 30 LYS HB3 . 10005 1 294 . 1 1 30 30 LYS HG3 H 1 1.32 0.00 . 2 . . . . 30 LYS HG3 . 10005 1 295 . 1 1 30 30 LYS HD3 H 1 1.44 0.01 . 2 . . . . 30 LYS HD3 . 10005 1 296 . 1 1 30 30 LYS HE3 H 1 2.82 0.00 . 2 . . . . 30 LYS HE3 . 10005 1 297 . 1 1 30 30 LYS C C 13 175.92 0.01 . 1 . . . . 30 LYS C . 10005 1 298 . 1 1 30 30 LYS CA C 13 57.33 0.02 . 1 . . . . 30 LYS CA . 10005 1 299 . 1 1 30 30 LYS CB C 13 35.15 0.04 . 1 . . . . 30 LYS CB . 10005 1 300 . 1 1 30 30 LYS CG C 13 25.65 0.01 . 1 . . . . 30 LYS CG . 10005 1 301 . 1 1 30 30 LYS CD C 13 29.57 0.01 . 1 . . . . 30 LYS CD . 10005 1 302 . 1 1 30 30 LYS CE C 13 42.79 0.00 . 1 . . . . 30 LYS CE . 10005 1 303 . 1 1 30 30 LYS N N 15 120.46 0.02 . 1 . . . . 30 LYS N . 10005 1 304 . 1 1 31 31 TRP HB2 H 1 3.77 0.01 . 2 . . . . 31 TRP HB3 . 10005 1 305 . 1 1 31 31 TRP H H 1 6.98 0.00 . 1 . . . . 31 TRP H . 10005 1 306 . 1 1 31 31 TRP HA H 1 4.53 0.00 . 1 . . . . 31 TRP HA . 10005 1 307 . 1 1 31 31 TRP HB3 H 1 3.44 0.01 . 2 . . . . 31 TRP HB3 . 10005 1 308 . 1 1 31 31 TRP HD1 H 1 7.86 0.00 . 1 . . . . 31 TRP HD1 . 10005 1 309 . 1 1 31 31 TRP HE1 H 1 10.38 0.00 . 1 . . . . 31 TRP HE1 . 10005 1 310 . 1 1 31 31 TRP HZ2 H 1 7.36 0.00 . 1 . . . . 31 TRP HZ2 . 10005 1 311 . 1 1 31 31 TRP C C 13 171.45 0.01 . 1 . . . . 31 TRP C . 10005 1 312 . 1 1 31 31 TRP CA C 13 56.90 0.02 . 1 . . . . 31 TRP CA . 10005 1 313 . 1 1 31 31 TRP CB C 13 26.91 0.06 . 1 . . . . 31 TRP CB . 10005 1 314 . 1 1 31 31 TRP N N 15 114.27 0.01 . 1 . . . . 31 TRP N . 10005 1 315 . 1 1 31 31 TRP NE1 N 15 132.69 0.02 . 1 . . . . 31 TRP NE1 . 10005 1 316 . 1 1 32 32 TRP HB2 H 1 3.37 0.02 . 2 . . . . 32 TRP HB3 . 10005 1 317 . 1 1 32 32 TRP H H 1 7.84 0.00 . 1 . . . . 32 TRP H . 10005 1 318 . 1 1 32 32 TRP HA H 1 4.77 0.01 . 1 . . . . 32 TRP HA . 10005 1 319 . 1 1 32 32 TRP HB3 H 1 3.24 0.01 . 2 . . . . 32 TRP HB3 . 10005 1 320 . 1 1 32 32 TRP HD1 H 1 7.16 0.01 . 1 . . . . 32 TRP HD1 . 10005 1 321 . 1 1 32 32 TRP HE1 H 1 9.98 0.02 . 1 . . . . 32 TRP HE1 . 10005 1 322 . 1 1 32 32 TRP HZ2 H 1 7.36 0.00 . 1 . . . . 32 TRP HZ2 . 10005 1 323 . 1 1 32 32 TRP C C 13 176.32 0.01 . 1 . . . . 32 TRP C . 10005 1 324 . 1 1 32 32 TRP CA C 13 59.44 0.03 . 1 . . . . 32 TRP CA . 10005 1 325 . 1 1 32 32 TRP CB C 13 30.74 0.03 . 1 . . . . 32 TRP CB . 10005 1 326 . 1 1 32 32 TRP N N 15 116.92 0.01 . 1 . . . . 32 TRP N . 10005 1 327 . 1 1 32 32 TRP NE1 N 15 129.54 0.02 . 1 . . . . 32 TRP NE1 . 10005 1 328 . 1 1 33 33 THR H H 1 8.65 0.00 . 1 . . . . 33 THR H . 10005 1 329 . 1 1 33 33 THR HA H 1 4.74 0.01 . 1 . . . . 33 THR HA . 10005 1 330 . 1 1 33 33 THR HB H 1 3.91 0.00 . 1 . . . . 33 THR HB . 10005 1 331 . 1 1 33 33 THR HG21 H 1 0.68 0.01 . 1 . . . . 33 THR HG2 . 10005 1 332 . 1 1 33 33 THR HG22 H 1 0.68 0.01 . 1 . . . . 33 THR HG2 . 10005 1 333 . 1 1 33 33 THR HG23 H 1 0.68 0.01 . 1 . . . . 33 THR HG2 . 10005 1 334 . 1 1 33 33 THR C C 13 170.06 0.01 . 1 . . . . 33 THR C . 10005 1 335 . 1 1 33 33 THR CA C 13 60.70 0.03 . 1 . . . . 33 THR CA . 10005 1 336 . 1 1 33 33 THR CB C 13 67.98 0.03 . 1 . . . . 33 THR CB . 10005 1 337 . 1 1 33 33 THR CG2 C 13 19.68 0.02 . 1 . . . . 33 THR CG2 . 10005 1 338 . 1 1 33 33 THR N N 15 122.55 0.01 . 1 . . . . 33 THR N . 10005 1 339 . 1 1 34 34 GLN HB2 H 1 2.00 0.01 . 2 . . . . 34 GLN HB3 . 10005 1 340 . 1 1 34 34 GLN HG2 H 1 2.09 0.02 . 2 . . . . 34 GLN HG3 . 10005 1 341 . 1 1 34 34 GLN H H 1 7.66 0.00 . 1 . . . . 34 GLN H . 10005 1 342 . 1 1 34 34 GLN HA H 1 4.59 0.00 . 1 . . . . 34 GLN HA . 10005 1 343 . 1 1 34 34 GLN HB3 H 1 1.54 0.01 . 2 . . . . 34 GLN HB3 . 10005 1 344 . 1 1 34 34 GLN HG3 H 1 2.12 0.02 . 2 . . . . 34 GLN HG3 . 10005 1 345 . 1 1 34 34 GLN HE21 H 1 7.02 0.00 . 2 . . . . 34 GLN HE21 . 10005 1 346 . 1 1 34 34 GLN HE22 H 1 6.77 0.01 . 2 . . . . 34 GLN HE22 . 10005 1 347 . 1 1 34 34 GLN C C 13 175.03 0.00 . 1 . . . . 34 GLN C . 10005 1 348 . 1 1 34 34 GLN CA C 13 55.02 0.04 . 1 . . . . 34 GLN CA . 10005 1 349 . 1 1 34 34 GLN CB C 13 32.91 0.05 . 1 . . . . 34 GLN CB . 10005 1 350 . 1 1 34 34 GLN CG C 13 33.38 0.06 . 1 . . . . 34 GLN CG . 10005 1 351 . 1 1 34 34 GLN N N 15 126.26 0.04 . 1 . . . . 34 GLN N . 10005 1 352 . 1 1 34 34 GLN NE2 N 15 111.33 0.02 . 1 . . . . 34 GLN NE2 . 10005 1 353 . 1 1 35 35 ASN HB2 H 1 3.48 0.01 . 2 . . . . 35 ASN HB3 . 10005 1 354 . 1 1 35 35 ASN H H 1 9.91 0.00 . 1 . . . . 35 ASN H . 10005 1 355 . 1 1 35 35 ASN HA H 1 4.68 0.01 . 1 . . . . 35 ASN HA . 10005 1 356 . 1 1 35 35 ASN HB3 H 1 2.63 0.01 . 2 . . . . 35 ASN HB3 . 10005 1 357 . 1 1 35 35 ASN HD21 H 1 7.48 0.00 . 2 . . . . 35 ASN HD21 . 10005 1 358 . 1 1 35 35 ASN HD22 H 1 6.62 0.00 . 2 . . . . 35 ASN HD22 . 10005 1 359 . 1 1 35 35 ASN C C 13 174.56 0.03 . 1 . . . . 35 ASN C . 10005 1 360 . 1 1 35 35 ASN CA C 13 54.69 0.03 . 1 . . . . 35 ASN CA . 10005 1 361 . 1 1 35 35 ASN CB C 13 37.44 0.19 . 1 . . . . 35 ASN CB . 10005 1 362 . 1 1 35 35 ASN N N 15 123.68 0.02 . 1 . . . . 35 ASN N . 10005 1 363 . 1 1 35 35 ASN ND2 N 15 108.53 0.02 . 1 . . . . 35 ASN ND2 . 10005 1 364 . 1 1 36 36 GLU HB2 H 1 2.03 0.01 . 2 . . . . 36 GLU HB3 . 10005 1 365 . 1 1 36 36 GLU HG2 H 1 2.37 0.01 . 2 . . . . 36 GLU HG3 . 10005 1 366 . 1 1 36 36 GLU H H 1 8.89 0.00 . 1 . . . . 36 GLU H . 10005 1 367 . 1 1 36 36 GLU HA H 1 4.67 0.00 . 1 . . . . 36 GLU HA . 10005 1 368 . 1 1 36 36 GLU HB3 H 1 1.79 0.01 . 2 . . . . 36 GLU HB3 . 10005 1 369 . 1 1 36 36 GLU HG3 H 1 2.17 0.01 . 2 . . . . 36 GLU HG3 . 10005 1 370 . 1 1 36 36 GLU C C 13 174.14 0.02 . 1 . . . . 36 GLU C . 10005 1 371 . 1 1 36 36 GLU CA C 13 55.25 0.02 . 1 . . . . 36 GLU CA . 10005 1 372 . 1 1 36 36 GLU CB C 13 31.72 0.02 . 1 . . . . 36 GLU CB . 10005 1 373 . 1 1 36 36 GLU CG C 13 37.81 0.01 . 1 . . . . 36 GLU CG . 10005 1 374 . 1 1 36 36 GLU N N 15 119.16 0.03 . 1 . . . . 36 GLU N . 10005 1 375 . 1 1 37 37 ARG HB2 H 1 1.17 0.00 . 2 . . . . 37 ARG HB3 . 10005 1 376 . 1 1 37 37 ARG HD2 H 1 2.98 0.00 . 2 . . . . 37 ARG HD3 . 10005 1 377 . 1 1 37 37 ARG HG2 H 1 0.74 0.00 . 2 . . . . 37 ARG HG3 . 10005 1 378 . 1 1 37 37 ARG H H 1 8.22 0.00 . 1 . . . . 37 ARG H . 10005 1 379 . 1 1 37 37 ARG HA H 1 2.25 0.00 . 1 . . . . 37 ARG HA . 10005 1 380 . 1 1 37 37 ARG HB3 H 1 0.97 0.00 . 2 . . . . 37 ARG HB3 . 10005 1 381 . 1 1 37 37 ARG HG3 H 1 0.68 0.00 . 2 . . . . 37 ARG HG3 . 10005 1 382 . 1 1 37 37 ARG HD3 H 1 2.89 0.00 . 2 . . . . 37 ARG HD3 . 10005 1 383 . 1 1 37 37 ARG C C 13 174.65 0.00 . 1 . . . . 37 ARG C . 10005 1 384 . 1 1 37 37 ARG CA C 13 54.27 0.02 . 1 . . . . 37 ARG CA . 10005 1 385 . 1 1 37 37 ARG CB C 13 30.19 0.01 . 1 . . . . 37 ARG CB . 10005 1 386 . 1 1 37 37 ARG CG C 13 26.61 0.02 . 1 . . . . 37 ARG CG . 10005 1 387 . 1 1 37 37 ARG CD C 13 43.50 0.00 . 1 . . . . 37 ARG CD . 10005 1 388 . 1 1 37 37 ARG N N 15 124.48 0.02 . 1 . . . . 37 ARG N . 10005 1 389 . 1 1 38 38 PRO HB2 H 1 -0.01 0.01 . 2 . . . . 38 PRO HB3 . 10005 1 390 . 1 1 38 38 PRO HG2 H 1 -1.49 0.00 . 2 . . . . 38 PRO HG3 . 10005 1 391 . 1 1 38 38 PRO HD2 H 1 0.89 0.01 . 2 . . . . 38 PRO HD3 . 10005 1 392 . 1 1 38 38 PRO HA H 1 3.10 0.00 . 1 . . . . 38 PRO HA . 10005 1 393 . 1 1 38 38 PRO HB3 H 1 -0.58 0.01 . 2 . . . . 38 PRO HB3 . 10005 1 394 . 1 1 38 38 PRO HG3 H 1 -0.27 0.00 . 2 . . . . 38 PRO HG3 . 10005 1 395 . 1 1 38 38 PRO HD3 H 1 0.34 0.00 . 2 . . . . 38 PRO HD3 . 10005 1 396 . 1 1 38 38 PRO C C 13 174.41 0.01 . 1 . . . . 38 PRO C . 10005 1 397 . 1 1 38 38 PRO CA C 13 63.47 0.02 . 1 . . . . 38 PRO CA . 10005 1 398 . 1 1 38 38 PRO CB C 13 29.59 0.01 . 1 . . . . 38 PRO CB . 10005 1 399 . 1 1 38 38 PRO CG C 13 25.87 0.01 . 1 . . . . 38 PRO CG . 10005 1 400 . 1 1 38 38 PRO CD C 13 48.74 0.00 . 1 . . . . 38 PRO CD . 10005 1 401 . 1 1 39 39 GLY HA2 H 1 4.29 0.01 . 2 . . . . 39 GLY HA3 . 10005 1 402 . 1 1 39 39 GLY H H 1 8.06 0.00 . 1 . . . . 39 GLY H . 10005 1 403 . 1 1 39 39 GLY HA3 H 1 3.63 0.00 . 2 . . . . 39 GLY HA3 . 10005 1 404 . 1 1 39 39 GLY C C 13 175.21 0.01 . 1 . . . . 39 GLY C . 10005 1 405 . 1 1 39 39 GLY CA C 13 45.26 0.03 . 1 . . . . 39 GLY CA . 10005 1 406 . 1 1 39 39 GLY N N 15 111.69 0.02 . 1 . . . . 39 GLY N . 10005 1 407 . 1 1 40 40 THR H H 1 7.43 0.00 . 1 . . . . 40 THR H . 10005 1 408 . 1 1 40 40 THR HA H 1 4.57 0.00 . 1 . . . . 40 THR HA . 10005 1 409 . 1 1 40 40 THR HB H 1 4.31 0.01 . 1 . . . . 40 THR HB . 10005 1 410 . 1 1 40 40 THR HG21 H 1 1.01 0.01 . 1 . . . . 40 THR HG2 . 10005 1 411 . 1 1 40 40 THR HG22 H 1 1.01 0.01 . 1 . . . . 40 THR HG2 . 10005 1 412 . 1 1 40 40 THR HG23 H 1 1.01 0.01 . 1 . . . . 40 THR HG2 . 10005 1 413 . 1 1 40 40 THR C C 13 173.82 0.02 . 1 . . . . 40 THR C . 10005 1 414 . 1 1 40 40 THR CA C 13 61.58 0.03 . 1 . . . . 40 THR CA . 10005 1 415 . 1 1 40 40 THR CB C 13 70.27 0.06 . 1 . . . . 40 THR CB . 10005 1 416 . 1 1 40 40 THR CG2 C 13 21.27 0.02 . 1 . . . . 40 THR CG2 . 10005 1 417 . 1 1 40 40 THR N N 15 108.29 0.01 . 1 . . . . 40 THR N . 10005 1 418 . 1 1 41 41 SER HB2 H 1 3.81 0.01 . 2 . . . . 41 SER HB3 . 10005 1 419 . 1 1 41 41 SER H H 1 7.15 0.01 . 1 . . . . 41 SER H . 10005 1 420 . 1 1 41 41 SER HA H 1 4.85 0.01 . 1 . . . . 41 SER HA . 10005 1 421 . 1 1 41 41 SER HB3 H 1 3.54 0.00 . 2 . . . . 41 SER HB3 . 10005 1 422 . 1 1 41 41 SER C C 13 174.63 0.01 . 1 . . . . 41 SER C . 10005 1 423 . 1 1 41 41 SER CA C 13 56.68 0.03 . 1 . . . . 41 SER CA . 10005 1 424 . 1 1 41 41 SER CB C 13 64.76 0.07 . 1 . . . . 41 SER CB . 10005 1 425 . 1 1 41 41 SER N N 15 113.83 0.01 . 1 . . . . 41 SER N . 10005 1 426 . 1 1 42 42 ASP H H 1 8.95 0.00 . 1 . . . . 42 ASP H . 10005 1 427 . 1 1 42 42 ASP HA H 1 4.42 0.00 . 1 . . . . 42 ASP HA . 10005 1 428 . 1 1 42 42 ASP HB3 H 1 2.81 0.00 . 2 . . . . 42 ASP HB3 . 10005 1 429 . 1 1 42 42 ASP C C 13 175.72 0.01 . 1 . . . . 42 ASP C . 10005 1 430 . 1 1 42 42 ASP CA C 13 56.04 0.04 . 1 . . . . 42 ASP CA . 10005 1 431 . 1 1 42 42 ASP CB C 13 40.91 0.03 . 1 . . . . 42 ASP CB . 10005 1 432 . 1 1 42 42 ASP N N 15 126.51 0.02 . 1 . . . . 42 ASP N . 10005 1 433 . 1 1 43 43 VAL H H 1 7.51 0.00 . 1 . . . . 43 VAL H . 10005 1 434 . 1 1 43 43 VAL HA H 1 2.32 0.01 . 1 . . . . 43 VAL HA . 10005 1 435 . 1 1 43 43 VAL HB H 1 1.55 0.01 . 1 . . . . 43 VAL HB . 10005 1 436 . 1 1 43 43 VAL HG11 H 1 -0.06 0.01 . 1 . . . . 43 VAL HG1 . 10005 1 437 . 1 1 43 43 VAL HG12 H 1 -0.06 0.01 . 1 . . . . 43 VAL HG1 . 10005 1 438 . 1 1 43 43 VAL HG13 H 1 -0.06 0.01 . 1 . . . . 43 VAL HG1 . 10005 1 439 . 1 1 43 43 VAL HG21 H 1 -0.58 0.01 . 1 . . . . 43 VAL HG2 . 10005 1 440 . 1 1 43 43 VAL HG22 H 1 -0.58 0.01 . 1 . . . . 43 VAL HG2 . 10005 1 441 . 1 1 43 43 VAL HG23 H 1 -0.58 0.01 . 1 . . . . 43 VAL HG2 . 10005 1 442 . 1 1 43 43 VAL C C 13 172.47 0.00 . 1 . . . . 43 VAL C . 10005 1 443 . 1 1 43 43 VAL CA C 13 63.40 0.01 . 1 . . . . 43 VAL CA . 10005 1 444 . 1 1 43 43 VAL CB C 13 31.13 0.11 . 1 . . . . 43 VAL CB . 10005 1 445 . 1 1 43 43 VAL CG1 C 13 18.30 0.03 . 2 . . . . 43 VAL CG1 . 10005 1 446 . 1 1 43 43 VAL CG2 C 13 23.01 0.03 . 2 . . . . 43 VAL CG2 . 10005 1 447 . 1 1 43 43 VAL N N 15 116.70 0.01 . 1 . . . . 43 VAL N . 10005 1 448 . 1 1 44 44 TRP HB2 H 1 2.85 0.01 . 2 . . . . 44 TRP HB3 . 10005 1 449 . 1 1 44 44 TRP H H 1 6.38 0.00 . 1 . . . . 44 TRP H . 10005 1 450 . 1 1 44 44 TRP HA H 1 4.74 0.01 . 1 . . . . 44 TRP HA . 10005 1 451 . 1 1 44 44 TRP HB3 H 1 2.76 0.01 . 2 . . . . 44 TRP HB3 . 10005 1 452 . 1 1 44 44 TRP HD1 H 1 6.18 0.01 . 1 . . . . 44 TRP HD1 . 10005 1 453 . 1 1 44 44 TRP HE1 H 1 9.83 0.00 . 1 . . . . 44 TRP HE1 . 10005 1 454 . 1 1 44 44 TRP HE3 H 1 6.90 0.00 . 1 . . . . 44 TRP HE3 . 10005 1 455 . 1 1 44 44 TRP HZ2 H 1 7.43 0.00 . 1 . . . . 44 TRP HZ2 . 10005 1 456 . 1 1 44 44 TRP HZ3 H 1 6.90 0.00 . 1 . . . . 44 TRP HZ3 . 10005 1 457 . 1 1 44 44 TRP HH2 H 1 5.83 0.00 . 1 . . . . 44 TRP HH2 . 10005 1 458 . 1 1 44 44 TRP C C 13 175.75 0.01 . 1 . . . . 44 TRP C . 10005 1 459 . 1 1 44 44 TRP CA C 13 55.12 0.03 . 1 . . . . 44 TRP CA . 10005 1 460 . 1 1 44 44 TRP CB C 13 30.84 0.05 . 1 . . . . 44 TRP CB . 10005 1 461 . 1 1 44 44 TRP CD1 C 13 127.4 0.01 . 1 . . . . 44 TRP CD1 . 10005 1 462 . 1 1 44 44 TRP N N 15 118.28 0.01 . 1 . . . . 44 TRP N . 10005 1 463 . 1 1 44 44 TRP NE1 N 15 129.08 0.02 . 1 . . . . 44 TRP NE1 . 10005 1 464 . 1 1 45 45 ALA H H 1 9.29 0.00 . 1 . . . . 45 ALA H . 10005 1 465 . 1 1 45 45 ALA HA H 1 4.57 0.00 . 1 . . . . 45 ALA HA . 10005 1 466 . 1 1 45 45 ALA HB1 H 1 1.38 0.01 . 1 . . . . 45 ALA HB . 10005 1 467 . 1 1 45 45 ALA HB2 H 1 1.38 0.01 . 1 . . . . 45 ALA HB . 10005 1 468 . 1 1 45 45 ALA HB3 H 1 1.38 0.01 . 1 . . . . 45 ALA HB . 10005 1 469 . 1 1 45 45 ALA C C 13 176.73 0.00 . 1 . . . . 45 ALA C . 10005 1 470 . 1 1 45 45 ALA CA C 13 51.11 0.03 . 1 . . . . 45 ALA CA . 10005 1 471 . 1 1 45 45 ALA CB C 13 19.50 0.04 . 1 . . . . 45 ALA CB . 10005 1 472 . 1 1 45 45 ALA N N 15 129.84 0.02 . 1 . . . . 45 ALA N . 10005 1 473 . 1 1 46 46 ASP HB2 H 1 2.75 0.01 . 2 . . . . 46 ASP HB3 . 10005 1 474 . 1 1 46 46 ASP H H 1 8.77 0.01 . 1 . . . . 46 ASP H . 10005 1 475 . 1 1 46 46 ASP HA H 1 4.14 0.01 . 1 . . . . 46 ASP HA . 10005 1 476 . 1 1 46 46 ASP HB3 H 1 2.69 0.01 . 2 . . . . 46 ASP HB3 . 10005 1 477 . 1 1 46 46 ASP C C 13 176.89 0.01 . 1 . . . . 46 ASP C . 10005 1 478 . 1 1 46 46 ASP CA C 13 55.35 0.02 . 1 . . . . 46 ASP CA . 10005 1 479 . 1 1 46 46 ASP CB C 13 41.60 0.02 . 1 . . . . 46 ASP CB . 10005 1 480 . 1 1 46 46 ASP N N 15 124.77 0.01 . 1 . . . . 46 ASP N . 10005 1 481 . 1 1 47 47 LYS HG2 H 1 1.47 0.01 . 2 . . . . 47 LYS HG3 . 10005 1 482 . 1 1 47 47 LYS HE2 H 1 2.87 0.01 . 2 . . . . 47 LYS HE3 . 10005 1 483 . 1 1 47 47 LYS HD2 H 1 1.61 0.01 . 2 . . . . 47 LYS HD3 . 10005 1 484 . 1 1 47 47 LYS H H 1 9.09 0.00 . 1 . . . . 47 LYS H . 10005 1 485 . 1 1 47 47 LYS HA H 1 4.51 0.00 . 1 . . . . 47 LYS HA . 10005 1 486 . 1 1 47 47 LYS HB2 H 1 1.24 0.01 . 2 . . . . 47 LYS HB2 . 10005 1 487 . 1 1 47 47 LYS HB3 H 1 1.96 0.00 . 2 . . . . 47 LYS HB3 . 10005 1 488 . 1 1 47 47 LYS HG3 H 1 1.58 0.01 . 2 . . . . 47 LYS HG3 . 10005 1 489 . 1 1 47 47 LYS HD3 H 1 1.52 0.00 . 2 . . . . 47 LYS HD3 . 10005 1 490 . 1 1 47 47 LYS HE3 H 1 2.92 0.00 . 2 . . . . 47 LYS HE3 . 10005 1 491 . 1 1 47 47 LYS C C 13 177.71 0.02 . 1 . . . . 47 LYS C . 10005 1 492 . 1 1 47 47 LYS CA C 13 53.24 0.04 . 1 . . . . 47 LYS CA . 10005 1 493 . 1 1 47 47 LYS CB C 13 31.24 0.03 . 1 . . . . 47 LYS CB . 10005 1 494 . 1 1 47 47 LYS CG C 13 22.82 0.04 . 1 . . . . 47 LYS CG . 10005 1 495 . 1 1 47 47 LYS CD C 13 27.41 0.02 . 1 . . . . 47 LYS CD . 10005 1 496 . 1 1 47 47 LYS CE C 13 41.96 0.01 . 1 . . . . 47 LYS CE . 10005 1 497 . 1 1 47 47 LYS N N 15 127.94 0.02 . 1 . . . . 47 LYS N . 10005 1 498 . 1 1 48 48 GLY HA2 H 1 4.37 0.00 . 2 . . . . 48 GLY HA3 . 10005 1 499 . 1 1 48 48 GLY H H 1 8.49 0.00 . 1 . . . . 48 GLY H . 10005 1 500 . 1 1 48 48 GLY HA3 H 1 3.74 0.00 . 2 . . . . 48 GLY HA3 . 10005 1 501 . 1 1 48 48 GLY C C 13 172.37 0.00 . 1 . . . . 48 GLY C . 10005 1 502 . 1 1 48 48 GLY CA C 13 43.90 0.01 . 1 . . . . 48 GLY CA . 10005 1 503 . 1 1 48 48 GLY N N 15 110.76 0.02 . 1 . . . . 48 GLY N . 10005 1 504 . 1 1 49 49 ALA H H 1 8.13 0.00 . 1 . . . . 49 ALA H . 10005 1 505 . 1 1 49 49 ALA HA H 1 4.53 0.01 . 1 . . . . 49 ALA HA . 10005 1 506 . 1 1 49 49 ALA HB1 H 1 1.37 0.01 . 1 . . . . 49 ALA HB . 10005 1 507 . 1 1 49 49 ALA HB2 H 1 1.37 0.01 . 1 . . . . 49 ALA HB . 10005 1 508 . 1 1 49 49 ALA HB3 H 1 1.37 0.01 . 1 . . . . 49 ALA HB . 10005 1 509 . 1 1 49 49 ALA C C 13 176.73 0.00 . 1 . . . . 49 ALA C . 10005 1 510 . 1 1 49 49 ALA CA C 13 52.58 0.03 . 1 . . . . 49 ALA CA . 10005 1 511 . 1 1 49 49 ALA CB C 13 19.51 0.04 . 1 . . . . 49 ALA CB . 10005 1 512 . 1 1 49 49 ALA N N 15 119.25 0.01 . 1 . . . . 49 ALA N . 10005 1 513 . 1 1 50 50 CYS HB2 H 1 2.79 0.01 . 2 . . . . 50 CYS HB3 . 10005 1 514 . 1 1 50 50 CYS H H 1 8.58 0.00 . 1 . . . . 50 CYS H . 10005 1 515 . 1 1 50 50 CYS HA H 1 5.21 0.01 . 1 . . . . 50 CYS HA . 10005 1 516 . 1 1 50 50 CYS HB3 H 1 2.66 0.01 . 2 . . . . 50 CYS HB3 . 10005 1 517 . 1 1 50 50 CYS C C 13 172.60 0.01 . 1 . . . . 50 CYS C . 10005 1 518 . 1 1 50 50 CYS CA C 13 53.28 0.04 . 1 . . . . 50 CYS CA . 10005 1 519 . 1 1 50 50 CYS CB C 13 48.20 0.08 . 1 . . . . 50 CYS CB . 10005 1 520 . 1 1 50 50 CYS N N 15 117.91 0.02 . 1 . . . . 50 CYS N . 10005 1 521 . 1 1 51 51 GLY HA2 H 1 4.33 0.00 . 2 . . . . 51 GLY HA3 . 10005 1 522 . 1 1 51 51 GLY H H 1 8.78 0.01 . 1 . . . . 51 GLY H . 10005 1 523 . 1 1 51 51 GLY HA3 H 1 4.10 0.00 . 2 . . . . 51 GLY HA3 . 10005 1 524 . 1 1 51 51 GLY C C 13 173.73 0.01 . 1 . . . . 51 GLY C . 10005 1 525 . 1 1 51 51 GLY CA C 13 45.25 0.02 . 1 . . . . 51 GLY CA . 10005 1 526 . 1 1 51 51 GLY N N 15 109.30 0.02 . 1 . . . . 51 GLY N . 10005 1 527 . 1 1 52 52 THR H H 1 8.34 0.01 . 1 . . . . 52 THR H . 10005 1 528 . 1 1 52 52 THR HA H 1 4.36 0.01 . 1 . . . . 52 THR HA . 10005 1 529 . 1 1 52 52 THR HB H 1 4.25 0.02 . 1 . . . . 52 THR HB . 10005 1 530 . 1 1 52 52 THR HG21 H 1 1.22 0.01 . 1 . . . . 52 THR HG2 . 10005 1 531 . 1 1 52 52 THR HG22 H 1 1.22 0.01 . 1 . . . . 52 THR HG2 . 10005 1 532 . 1 1 52 52 THR HG23 H 1 1.22 0.01 . 1 . . . . 52 THR HG2 . 10005 1 533 . 1 1 52 52 THR C C 13 175.34 0.01 . 1 . . . . 52 THR C . 10005 1 534 . 1 1 52 52 THR CA C 13 62.23 0.02 . 1 . . . . 52 THR CA . 10005 1 535 . 1 1 52 52 THR CB C 13 69.81 0.02 . 1 . . . . 52 THR CB . 10005 1 536 . 1 1 52 52 THR CG2 C 13 21.61 0.03 . 1 . . . . 52 THR CG2 . 10005 1 537 . 1 1 52 52 THR N N 15 114.20 0.01 . 1 . . . . 52 THR N . 10005 1 538 . 1 1 53 53 GLY HA2 H 1 4.06 0.01 . 2 . . . . 53 GLY HA3 . 10005 1 539 . 1 1 53 53 GLY H H 1 8.50 0.00 . 1 . . . . 53 GLY H . 10005 1 540 . 1 1 53 53 GLY HA3 H 1 3.95 0.00 . 2 . . . . 53 GLY HA3 . 10005 1 541 . 1 1 53 53 GLY C C 13 173.28 0.01 . 1 . . . . 53 GLY C . 10005 1 542 . 1 1 53 53 GLY CA C 13 45.38 0.01 . 1 . . . . 53 GLY CA . 10005 1 543 . 1 1 53 53 GLY N N 15 112.17 0.02 . 1 . . . . 53 GLY N . 10005 1 544 . 1 1 54 54 SER H H 1 7.88 0.00 . 1 . . . . 54 SER H . 10005 1 545 . 1 1 54 54 SER HA H 1 4.27 0.00 . 1 . . . . 54 SER HA . 10005 1 546 . 1 1 54 54 SER HB3 H 1 3.79 0.00 . 2 . . . . 54 SER HB3 . 10005 1 547 . 1 1 54 54 SER C C 13 178.66 0.00 . 1 . . . . 54 SER C . 10005 1 548 . 1 1 54 54 SER CA C 13 59.83 0.02 . 1 . . . . 54 SER CA . 10005 1 549 . 1 1 54 54 SER CB C 13 65.09 0.01 . 1 . . . . 54 SER CB . 10005 1 550 . 1 1 54 54 SER N N 15 121.29 0.01 . 1 . . . . 54 SER N . 10005 1 stop_ save_