data_10024 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10024 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Solution structure of the Rhodobacter sphaeroides PufX protein' 'Structure analysis' . 10024 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10024 _Entry.Title ; Chemical shift assignments for the Rhodobacter sphaeroides PufX membrane protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-03 _Entry.Accession_date 2006-08-03 _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 Zheng-Yu Wang . . . 10024 2 H. Suzuki . . . 10024 3 M. Kudo . . . 10024 4 M. Kobayashi . . . 10024 5 T. Nozawa . . . 10024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 10024 '15N chemical shifts' 74 10024 '1H chemical shifts' 352 10024 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 2006-08-03 original author . 10024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DW3 'BMRB Entry Tracking System' 10024 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17335288 _Citation.Full_citation . _Citation.Title ; Solution structure of the Rhodobacter sphaeroides PufX membrane protein: implications for the quinone exchange and protein-protein interactions. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 12 _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 3635 _Citation.Page_last 3642 _Citation.Year 2007 _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 Zheng-Yu Wang . . . 10024 1 2 H. Suzuki . . . 10024 1 3 M. Kobayashi . . . 10024 1 4 T. Nozawa . . . 10024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10024 _Assembly.ID 1 _Assembly.Name PufX _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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' 10024 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 'subunit 1' 1 $PufX_polypeptide . . yes native yes no . . . 10024 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 2DW3 . . NMR . . . 10024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PufX_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode PufX_polypeptide _Entity.Entry_ID 10024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PufX polypeptide' _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 ; ADKTIFNDHLNTNPKTNLRL WVAFQMMKGAGWAGGVFFGT LLLIGFFRVVGRMLPIQENQ APAPNITGALEHHHHHH ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2DW3 . "Solution Structure Of The Rhodobacter Sphaeroides Pufx Membrane Protein" . . . . . 100.00 77 100.00 100.00 3.89e-48 . . . . 10024 1 2 no PDB 2ITA . "Solution Structure Of Pufx From Rhodobacter Sphaeroides" . . . . . 89.61 70 100.00 100.00 1.05e-41 . . . . 10024 1 3 no PDB 2NRG . "Solution Structure Of Pufx From Rhodobacter Sphaeroides (Minimised Average)" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 4 no PDB 4JC9 . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 5 no PDB 4JCB . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 6 no EMBL CAB38756 . "PUFX protien [Rhodobacter sphaeroides]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 7 no GB AAA26129 . "putative intrinsic membrane protein [Rhodobacter sphaeroides]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 8 no GB AAF24306 . "PufX [Rhodobacter sphaeroides]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 9 no GB ABA79427 . "Intrinsic membrane pufX protein [Rhodobacter sphaeroides 2.4.1]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 10 no GB ABN77002 . "intrinsic membrane PufX protien [Rhodobacter sphaeroides ATCC 17029]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 11 no GB ACM01440 . "Intrinsic membrane protein PufX [Rhodobacter sphaeroides KD131]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 12 no REF WP_002720419 . "MULTISPECIES: intrinsic membrane protein PufX [Rhodobacter]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 13 no REF YP_353328 . "Intrinsic membrane pufX protein [Rhodobacter sphaeroides 2.4.1]" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 14 no SP P13402 . "RecName: Full=Intrinsic membrane protein PufX" . . . . . 92.21 82 100.00 100.00 2.84e-43 . . . . 10024 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 10024 1 2 2 ASP . 10024 1 3 3 LYS . 10024 1 4 4 THR . 10024 1 5 5 ILE . 10024 1 6 6 PHE . 10024 1 7 7 ASN . 10024 1 8 8 ASP . 10024 1 9 9 HIS . 10024 1 10 10 LEU . 10024 1 11 11 ASN . 10024 1 12 12 THR . 10024 1 13 13 ASN . 10024 1 14 14 PRO . 10024 1 15 15 LYS . 10024 1 16 16 THR . 10024 1 17 17 ASN . 10024 1 18 18 LEU . 10024 1 19 19 ARG . 10024 1 20 20 LEU . 10024 1 21 21 TRP . 10024 1 22 22 VAL . 10024 1 23 23 ALA . 10024 1 24 24 PHE . 10024 1 25 25 GLN . 10024 1 26 26 MET . 10024 1 27 27 MET . 10024 1 28 28 LYS . 10024 1 29 29 GLY . 10024 1 30 30 ALA . 10024 1 31 31 GLY . 10024 1 32 32 TRP . 10024 1 33 33 ALA . 10024 1 34 34 GLY . 10024 1 35 35 GLY . 10024 1 36 36 VAL . 10024 1 37 37 PHE . 10024 1 38 38 PHE . 10024 1 39 39 GLY . 10024 1 40 40 THR . 10024 1 41 41 LEU . 10024 1 42 42 LEU . 10024 1 43 43 LEU . 10024 1 44 44 ILE . 10024 1 45 45 GLY . 10024 1 46 46 PHE . 10024 1 47 47 PHE . 10024 1 48 48 ARG . 10024 1 49 49 VAL . 10024 1 50 50 VAL . 10024 1 51 51 GLY . 10024 1 52 52 ARG . 10024 1 53 53 MET . 10024 1 54 54 LEU . 10024 1 55 55 PRO . 10024 1 56 56 ILE . 10024 1 57 57 GLN . 10024 1 58 58 GLU . 10024 1 59 59 ASN . 10024 1 60 60 GLN . 10024 1 61 61 ALA . 10024 1 62 62 PRO . 10024 1 63 63 ALA . 10024 1 64 64 PRO . 10024 1 65 65 ASN . 10024 1 66 66 ILE . 10024 1 67 67 THR . 10024 1 68 68 GLY . 10024 1 69 69 ALA . 10024 1 70 70 LEU . 10024 1 71 71 GLU . 10024 1 72 72 HIS . 10024 1 73 73 HIS . 10024 1 74 74 HIS . 10024 1 75 75 HIS . 10024 1 76 76 HIS . 10024 1 77 77 HIS . 10024 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 . ALA 1 1 10024 1 . ASP 2 2 10024 1 . LYS 3 3 10024 1 . THR 4 4 10024 1 . ILE 5 5 10024 1 . PHE 6 6 10024 1 . ASN 7 7 10024 1 . ASP 8 8 10024 1 . HIS 9 9 10024 1 . LEU 10 10 10024 1 . ASN 11 11 10024 1 . THR 12 12 10024 1 . ASN 13 13 10024 1 . PRO 14 14 10024 1 . LYS 15 15 10024 1 . THR 16 16 10024 1 . ASN 17 17 10024 1 . LEU 18 18 10024 1 . ARG 19 19 10024 1 . LEU 20 20 10024 1 . TRP 21 21 10024 1 . VAL 22 22 10024 1 . ALA 23 23 10024 1 . PHE 24 24 10024 1 . GLN 25 25 10024 1 . MET 26 26 10024 1 . MET 27 27 10024 1 . LYS 28 28 10024 1 . GLY 29 29 10024 1 . ALA 30 30 10024 1 . GLY 31 31 10024 1 . TRP 32 32 10024 1 . ALA 33 33 10024 1 . GLY 34 34 10024 1 . GLY 35 35 10024 1 . VAL 36 36 10024 1 . PHE 37 37 10024 1 . PHE 38 38 10024 1 . GLY 39 39 10024 1 . THR 40 40 10024 1 . LEU 41 41 10024 1 . LEU 42 42 10024 1 . LEU 43 43 10024 1 . ILE 44 44 10024 1 . GLY 45 45 10024 1 . PHE 46 46 10024 1 . PHE 47 47 10024 1 . ARG 48 48 10024 1 . VAL 49 49 10024 1 . VAL 50 50 10024 1 . GLY 51 51 10024 1 . ARG 52 52 10024 1 . MET 53 53 10024 1 . LEU 54 54 10024 1 . PRO 55 55 10024 1 . ILE 56 56 10024 1 . GLN 57 57 10024 1 . GLU 58 58 10024 1 . ASN 59 59 10024 1 . GLN 60 60 10024 1 . ALA 61 61 10024 1 . PRO 62 62 10024 1 . ALA 63 63 10024 1 . PRO 64 64 10024 1 . ASN 65 65 10024 1 . ILE 66 66 10024 1 . THR 67 67 10024 1 . GLY 68 68 10024 1 . ALA 69 69 10024 1 . LEU 70 70 10024 1 . GLU 71 71 10024 1 . HIS 72 72 10024 1 . HIS 73 73 10024 1 . HIS 74 74 10024 1 . HIS 75 75 10024 1 . HIS 76 76 10024 1 . HIS 77 77 10024 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 10024 _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 $PufX_polypeptide . 1063 . no . 'Rhodobacter sphaeroides' . . bacteria 'Not applicable' Rhodobacter sphaeroides . . . . . . . . . . . . no . . . . . . . . 10024 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 10024 _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 $PufX_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10024 _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 'PufX polypeptide' '[U-13C; U-15N]' . . 1 $PufX_polypeptide . protein 2 . . mM . . . . 10024 1 2 Chloroform . . . . . . solvent 50 . . % . . . . 10024 1 3 Methanol . . . . . . solvent 50 . . % . . . . 10024 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 10024 _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 temperature 298 1 K 10024 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 10024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX400' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 10024 _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 HSQC-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 2 HSQC-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 5 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 6 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 7 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10024 1 stop_ save_ save_HSQC-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC-TOCSY _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC-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 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_HSQC-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC-NOESY _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HSQC-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 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_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 5 _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 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_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 6 _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 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_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 10024 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_cs_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode cs_reference_1 _Chem_shift_reference.Entry_ID 10024 _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 carbons' . . . . ppm 0 external indirect . . . . . . . . . . 10024 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 10024 1 N 15 Urea nitrogen . . . . ppm 77 external indirect . . . . . . . . . . 10024 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_assigned_cs_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_cs_list_1 _Assigned_chem_shift_list.Entry_ID 10024 _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 $cs_reference_1 _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 HSQC-TOCSY 1 $sample_1 isotropic 10024 1 2 HSQC-NOESY 1 $sample_1 isotropic 10024 1 3 HNCA 1 $sample_1 isotropic 10024 1 4 HN(CO)CA 1 $sample_1 isotropic 10024 1 5 CBCANH 1 $sample_1 isotropic 10024 1 6 CBCA(CO)NH 1 $sample_1 isotropic 10024 1 7 HNHA 1 $sample_1 isotropic 10024 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 ALA CA C 13 54.578 0.01 . 1 . . . . 1 ALA CA . 10024 1 2 . 1 1 1 1 ALA CB C 13 18.439 0.01 . 1 . . . . 1 ALA CB . 10024 1 3 . 1 1 2 2 ASP H H 1 8.86 0.01 . 1 . . . . 2 ASP H . 10024 1 4 . 1 1 2 2 ASP CA C 13 56.565 0.01 . 1 . . . . 2 ASP CA . 10024 1 5 . 1 1 2 2 ASP CB C 13 37.79 0.01 . 1 . . . . 2 ASP CB . 10024 1 6 . 1 1 2 2 ASP N N 15 117.16 0.01 . 1 . . . . 2 ASP N . 10024 1 7 . 1 1 3 3 LYS H H 1 8.41 0.01 . 1 . . . . 3 LYS H . 10024 1 8 . 1 1 3 3 LYS HA H 1 4.32 0.01 . 1 . . . . 3 LYS HA . 10024 1 9 . 1 1 3 3 LYS CA C 13 56.695 0.01 . 1 . . . . 3 LYS CA . 10024 1 10 . 1 1 3 3 LYS CB C 13 32.124 0.01 . 1 . . . . 3 LYS CB . 10024 1 11 . 1 1 3 3 LYS N N 15 119.87 0.01 . 1 . . . . 3 LYS N . 10024 1 12 . 1 1 4 4 THR H H 1 8.1 0.01 . 1 . . . . 4 THR H . 10024 1 13 . 1 1 4 4 THR HA H 1 4.27 0.01 . 1 . . . . 4 THR HA . 10024 1 14 . 1 1 4 4 THR HB H 1 4.27 0.01 . 1 . . . . 4 THR HB . 10024 1 15 . 1 1 4 4 THR HG21 H 1 1.23 0.01 . 1 . . . . 4 THR HG2 . 10024 1 16 . 1 1 4 4 THR HG22 H 1 1.23 0.01 . 1 . . . . 4 THR HG2 . 10024 1 17 . 1 1 4 4 THR HG23 H 1 1.23 0.01 . 1 . . . . 4 THR HG2 . 10024 1 18 . 1 1 4 4 THR CA C 13 62.49 0.01 . 1 . . . . 4 THR CA . 10024 1 19 . 1 1 4 4 THR CB C 13 69.829 0.01 . 1 . . . . 4 THR CB . 10024 1 20 . 1 1 4 4 THR N N 15 112.46 0.01 . 1 . . . . 4 THR N . 10024 1 21 . 1 1 5 5 ILE H H 1 7.87 0.01 . 1 . . . . 5 ILE H . 10024 1 22 . 1 1 5 5 ILE HA H 1 3.95 0.01 . 1 . . . . 5 ILE HA . 10024 1 23 . 1 1 5 5 ILE HB H 1 1.77 0.01 . 1 . . . . 5 ILE HB . 10024 1 24 . 1 1 5 5 ILE HG12 H 1 0.72 0.01 . 1 . . . . 5 ILE HG12 . 10024 1 25 . 1 1 5 5 ILE HG13 H 1 0.72 0.01 . 1 . . . . 5 ILE HG13 . 10024 1 26 . 1 1 5 5 ILE HG21 H 1 0.72 0.01 . 1 . . . . 5 ILE HG2 . 10024 1 27 . 1 1 5 5 ILE HG22 H 1 0.72 0.01 . 1 . . . . 5 ILE HG2 . 10024 1 28 . 1 1 5 5 ILE HG23 H 1 0.72 0.01 . 1 . . . . 5 ILE HG2 . 10024 1 29 . 1 1 5 5 ILE HD11 H 1 0.72 0.01 . 1 . . . . 5 ILE HD1 . 10024 1 30 . 1 1 5 5 ILE HD12 H 1 0.72 0.01 . 1 . . . . 5 ILE HD1 . 10024 1 31 . 1 1 5 5 ILE HD13 H 1 0.72 0.01 . 1 . . . . 5 ILE HD1 . 10024 1 32 . 1 1 5 5 ILE CA C 13 62.75 0.01 . 1 . . . . 5 ILE CA . 10024 1 33 . 1 1 5 5 ILE CB C 13 37.325 0.01 . 1 . . . . 5 ILE CB . 10024 1 34 . 1 1 5 5 ILE N N 15 117.25 0.01 . 1 . . . . 5 ILE N . 10024 1 35 . 1 1 6 6 PHE H H 1 7.69 0.01 . 1 . . . . 6 PHE H . 10024 1 36 . 1 1 6 6 PHE HA H 1 4.4 0.01 . 1 . . . . 6 PHE HA . 10024 1 37 . 1 1 6 6 PHE HB2 H 1 3.21 0.01 . 1 . . . . 6 PHE HB2 . 10024 1 38 . 1 1 6 6 PHE HB3 H 1 3 0.01 . 1 . . . . 6 PHE HB3 . 10024 1 39 . 1 1 6 6 PHE CA C 13 59.25 0.01 . 1 . . . . 6 PHE CA . 10024 1 40 . 1 1 6 6 PHE CB C 13 38.309 0.01 . 1 . . . . 6 PHE CB . 10024 1 41 . 1 1 6 6 PHE N N 15 118.04 0.01 . 1 . . . . 6 PHE N . 10024 1 42 . 1 1 7 7 ASN H H 1 8.04 0.01 . 1 . . . . 7 ASN H . 10024 1 43 . 1 1 7 7 ASN HA H 1 4.6 0.01 . 1 . . . . 7 ASN HA . 10024 1 44 . 1 1 7 7 ASN HB2 H 1 2.82 0.01 . 1 . . . . 7 ASN HB2 . 10024 1 45 . 1 1 7 7 ASN HB3 H 1 2.82 0.01 . 1 . . . . 7 ASN HB3 . 10024 1 46 . 1 1 7 7 ASN HD21 H 1 7.63 0.01 . 1 . . . . 7 ASN HD21 . 10024 1 47 . 1 1 7 7 ASN HD22 H 1 6.92 0.01 . 1 . . . . 7 ASN HD22 . 10024 1 48 . 1 1 7 7 ASN CA C 13 53.70 0.01 . 1 . . . . 7 ASN CA . 10024 1 49 . 1 1 7 7 ASN CB C 13 38.321 0.01 . 1 . . . . 7 ASN CB . 10024 1 50 . 1 1 7 7 ASN N N 15 116.13 0.01 . 1 . . . . 7 ASN N . 10024 1 51 . 1 1 7 7 ASN ND2 N 15 108.39 0.01 . 1 . . . . 7 ASN ND2 . 10024 1 52 . 1 1 8 8 ASP H H 1 8.17 0.01 . 1 . . . . 8 ASP H . 10024 1 53 . 1 1 8 8 ASP HA H 1 4.57 0.01 . 1 . . . . 8 ASP HA . 10024 1 54 . 1 1 8 8 ASP HB2 H 1 2.86 0.01 . 1 . . . . 8 ASP HB2 . 10024 1 55 . 1 1 8 8 ASP HB3 H 1 2.86 0.01 . 1 . . . . 8 ASP HB3 . 10024 1 56 . 1 1 8 8 ASP CA C 13 53.665 0.01 . 1 . . . . 8 ASP CA . 10024 1 57 . 1 1 8 8 ASP CB C 13 37.056 0.01 . 1 . . . . 8 ASP CB . 10024 1 58 . 1 1 8 8 ASP N N 15 117.1 0.01 . 1 . . . . 8 ASP N . 10024 1 59 . 1 1 9 9 HIS H H 1 8.11 0.01 . 1 . . . . 9 HIS H . 10024 1 60 . 1 1 9 9 HIS HA H 1 4.55 0.01 . 1 . . . . 9 HIS HA . 10024 1 61 . 1 1 9 9 HIS HB2 H 1 3.27 0.01 . 1 . . . . 9 HIS HB2 . 10024 1 62 . 1 1 9 9 HIS HB3 H 1 3.27 0.01 . 1 . . . . 9 HIS HB3 . 10024 1 63 . 1 1 9 9 HIS CA C 13 55.882 0.01 . 1 . . . . 9 HIS CA . 10024 1 64 . 1 1 9 9 HIS CB C 13 27.878 0.01 . 1 . . . . 9 HIS CB . 10024 1 65 . 1 1 9 9 HIS N N 15 115.23 0.01 . 1 . . . . 9 HIS N . 10024 1 66 . 1 1 10 10 LEU H H 1 8.06 0.01 . 1 . . . . 10 LEU H . 10024 1 67 . 1 1 10 10 LEU HA H 1 4.07 0.01 . 1 . . . . 10 LEU HA . 10024 1 68 . 1 1 10 10 LEU HB2 H 1 1.89 0.01 . 1 . . . . 10 LEU HB2 . 10024 1 69 . 1 1 10 10 LEU HB3 H 1 1.62 0.01 . 1 . . . . 10 LEU HB3 . 10024 1 70 . 1 1 10 10 LEU HG H 1 1.62 0.01 . 1 . . . . 10 LEU HG . 10024 1 71 . 1 1 10 10 LEU CA C 13 55.772 0.01 . 1 . . . . 10 LEU CA . 10024 1 72 . 1 1 10 10 LEU CB C 13 41.602 0.01 . 1 . . . . 10 LEU CB . 10024 1 73 . 1 1 10 10 LEU N N 15 118.45 0.01 . 1 . . . . 10 LEU N . 10024 1 74 . 1 1 11 11 ASN H H 1 8.25 0.01 . 1 . . . . 11 ASN H . 10024 1 75 . 1 1 11 11 ASN HA H 1 4.45 0.01 . 1 . . . . 11 ASN HA . 10024 1 76 . 1 1 11 11 ASN HB2 H 1 3.28 0.01 . 1 . . . . 11 ASN HB2 . 10024 1 77 . 1 1 11 11 ASN HB3 H 1 2.82 0.01 . 1 . . . . 11 ASN HB3 . 10024 1 78 . 1 1 11 11 ASN HD21 H 1 7.55 0.01 . 1 . . . . 11 ASN HD21 . 10024 1 79 . 1 1 11 11 ASN HD22 H 1 6.71 0.01 . 1 . . . . 11 ASN HD22 . 10024 1 80 . 1 1 11 11 ASN CA C 13 53.447 0.01 . 1 . . . . 11 ASN CA . 10024 1 81 . 1 1 11 11 ASN CB C 13 38.315 0.01 . 1 . . . . 11 ASN CB . 10024 1 82 . 1 1 11 11 ASN N N 15 115.67 0.01 . 1 . . . . 11 ASN N . 10024 1 83 . 1 1 11 11 ASN ND2 N 15 108.77 0.01 . 1 . . . . 11 ASN ND2 . 10024 1 84 . 1 1 12 12 THR H H 1 7.68 0.01 . 1 . . . . 12 THR H . 10024 1 85 . 1 1 12 12 THR HA H 1 4.29 0.01 . 1 . . . . 12 THR HA . 10024 1 86 . 1 1 12 12 THR HB H 1 4.29 0.01 . 1 . . . . 12 THR HB . 10024 1 87 . 1 1 12 12 THR HG21 H 1 1.19 0.01 . 1 . . . . 12 THR HG2 . 10024 1 88 . 1 1 12 12 THR HG22 H 1 1.19 0.01 . 1 . . . . 12 THR HG2 . 10024 1 89 . 1 1 12 12 THR HG23 H 1 1.19 0.01 . 1 . . . . 12 THR HG2 . 10024 1 90 . 1 1 12 12 THR CA C 13 61.347 0.01 . 1 . . . . 12 THR CA . 10024 1 91 . 1 1 12 12 THR CB C 13 68.876 0.01 . 1 . . . . 12 THR CB . 10024 1 92 . 1 1 12 12 THR N N 15 109.65 0.01 . 1 . . . . 12 THR N . 10024 1 93 . 1 1 13 13 ASN H H 1 7.99 0.01 . 1 . . . . 13 ASN H . 10024 1 94 . 1 1 13 13 ASN HA H 1 4.91 0.01 . 1 . . . . 13 ASN HA . 10024 1 95 . 1 1 13 13 ASN HB2 H 1 3.13 0.01 . 1 . . . . 13 ASN HB2 . 10024 1 96 . 1 1 13 13 ASN HB3 H 1 2.77 0.01 . 1 . . . . 13 ASN HB3 . 10024 1 97 . 1 1 13 13 ASN HD21 H 1 7.78 0.01 . 1 . . . . 13 ASN HD21 . 10024 1 98 . 1 1 13 13 ASN HD22 H 1 6.98 0.01 . 1 . . . . 13 ASN HD22 . 10024 1 99 . 1 1 13 13 ASN CA C 13 51.558 0.01 . 1 . . . . 13 ASN CA . 10024 1 100 . 1 1 13 13 ASN CB C 13 38.459 0.01 . 1 . . . . 13 ASN CB . 10024 1 101 . 1 1 13 13 ASN N N 15 119.34 0.01 . 1 . . . . 13 ASN N . 10024 1 102 . 1 1 13 13 ASN ND2 N 15 111.03 0.01 . 1 . . . . 13 ASN ND2 . 10024 1 103 . 1 1 14 14 PRO CA C 13 68.3 0.01 . 1 . . . . 14 PRO CA . 10024 1 104 . 1 1 14 14 PRO CB C 13 31.571 0.01 . 1 . . . . 14 PRO CB . 10024 1 105 . 1 1 15 15 LYS H H 1 8.22 0.01 . 1 . . . . 15 LYS H . 10024 1 106 . 1 1 15 15 LYS HA H 1 4.71 0.01 . 1 . . . . 15 LYS HA . 10024 1 107 . 1 1 15 15 LYS HB2 H 1 1.9 0.01 . 1 . . . . 15 LYS HB2 . 10024 1 108 . 1 1 15 15 LYS HB3 H 1 1.9 0.01 . 1 . . . . 15 LYS HB3 . 10024 1 109 . 1 1 15 15 LYS HG2 H 1 1.57 0.01 . 1 . . . . 15 LYS HG2 . 10024 1 110 . 1 1 15 15 LYS HG3 H 1 1.57 0.01 . 1 . . . . 15 LYS HG3 . 10024 1 111 . 1 1 15 15 LYS HD2 H 1 1.39 0.01 . 1 . . . . 15 LYS HD2 . 10024 1 112 . 1 1 15 15 LYS HD3 H 1 1.39 0.01 . 1 . . . . 15 LYS HD3 . 10024 1 113 . 1 1 15 15 LYS HE2 H 1 2.81 0.01 . 1 . . . . 15 LYS HE2 . 10024 1 114 . 1 1 15 15 LYS HE3 H 1 2.81 0.01 . 1 . . . . 15 LYS HE3 . 10024 1 115 . 1 1 15 15 LYS CA C 13 59.180 0.01 . 1 . . . . 15 LYS CA . 10024 1 116 . 1 1 15 15 LYS CB C 13 31.499 0.01 . 1 . . . . 15 LYS CB . 10024 1 117 . 1 1 15 15 LYS N N 15 115.474 0.01 . 1 . . . . 15 LYS N . 10024 1 118 . 1 1 16 16 THR H H 1 7.83 0.01 . 1 . . . . 16 THR H . 10024 1 119 . 1 1 16 16 THR HA H 1 4.25 0.01 . 1 . . . . 16 THR HA . 10024 1 120 . 1 1 16 16 THR HB H 1 3.93 0.01 . 1 . . . . 16 THR HB . 10024 1 121 . 1 1 16 16 THR HG21 H 1 1.22 0.01 . 1 . . . . 16 THR HG2 . 10024 1 122 . 1 1 16 16 THR HG22 H 1 1.22 0.01 . 1 . . . . 16 THR HG2 . 10024 1 123 . 1 1 16 16 THR HG23 H 1 1.22 0.01 . 1 . . . . 16 THR HG2 . 10024 1 124 . 1 1 16 16 THR CA C 13 65.344 0.01 . 1 . . . . 16 THR CA . 10024 1 125 . 1 1 16 16 THR CB C 13 67.618 0.01 . 1 . . . . 16 THR CB . 10024 1 126 . 1 1 16 16 THR N N 15 114.04 0.01 . 1 . . . . 16 THR N . 10024 1 127 . 1 1 17 17 ASN H H 1 7.88 0.01 . 1 . . . . 17 ASN H . 10024 1 128 . 1 1 17 17 ASN HA H 1 4.47 0.01 . 1 . . . . 17 ASN HA . 10024 1 129 . 1 1 17 17 ASN HB2 H 1 2.76 0.01 . 1 . . . . 17 ASN HB2 . 10024 1 130 . 1 1 17 17 ASN HB3 H 1 2.76 0.01 . 1 . . . . 17 ASN HB3 . 10024 1 131 . 1 1 17 17 ASN HD21 H 1 7.43 0.01 . 1 . . . . 17 ASN HD21 . 10024 1 132 . 1 1 17 17 ASN HD22 H 1 6.76 0.01 . 1 . . . . 17 ASN HD22 . 10024 1 133 . 1 1 17 17 ASN CA C 13 55.970 0.01 . 1 . . . . 17 ASN CA . 10024 1 134 . 1 1 17 17 ASN CB C 13 37.876 0.01 . 1 . . . . 17 ASN CB . 10024 1 135 . 1 1 17 17 ASN N N 15 118.69 0.01 . 1 . . . . 17 ASN N . 10024 1 136 . 1 1 17 17 ASN ND2 N 15 108.69 0.01 . 1 . . . . 17 ASN ND2 . 10024 1 137 . 1 1 18 18 LEU H H 1 8.08 0.01 . 1 . . . . 18 LEU H . 10024 1 138 . 1 1 18 18 LEU HA H 1 4.25 0.01 . 1 . . . . 18 LEU HA . 10024 1 139 . 1 1 18 18 LEU HB2 H 1 1.65 0.01 . 1 . . . . 18 LEU HB2 . 10024 1 140 . 1 1 18 18 LEU HB3 H 1 1.65 0.01 . 1 . . . . 18 LEU HB3 . 10024 1 141 . 1 1 18 18 LEU HG H 1 1.65 0.01 . 1 . . . . 18 LEU HG . 10024 1 142 . 1 1 18 18 LEU HD11 H 1 0.88 0.01 . 1 . . . . 18 LEU HD1 . 10024 1 143 . 1 1 18 18 LEU HD12 H 1 0.88 0.01 . 1 . . . . 18 LEU HD1 . 10024 1 144 . 1 1 18 18 LEU HD13 H 1 0.88 0.01 . 1 . . . . 18 LEU HD1 . 10024 1 145 . 1 1 18 18 LEU HD21 H 1 0.88 0.01 . 1 . . . . 18 LEU HD2 . 10024 1 146 . 1 1 18 18 LEU HD22 H 1 0.88 0.01 . 1 . . . . 18 LEU HD2 . 10024 1 147 . 1 1 18 18 LEU HD23 H 1 0.88 0.01 . 1 . . . . 18 LEU HD2 . 10024 1 148 . 1 1 18 18 LEU CA C 13 57.662 0.01 . 1 . . . . 18 LEU CA . 10024 1 149 . 1 1 18 18 LEU CB C 13 41.406 0.01 . 1 . . . . 18 LEU CB . 10024 1 150 . 1 1 18 18 LEU N N 15 120.04 0.01 . 1 . . . . 18 LEU N . 10024 1 151 . 1 1 19 19 ARG H H 1 8.04 0.01 . 1 . . . . 19 ARG H . 10024 1 152 . 1 1 19 19 ARG HA H 1 4.6 0.01 . 1 . . . . 19 ARG HA . 10024 1 153 . 1 1 19 19 ARG HB2 H 1 2.82 0.01 . 1 . . . . 19 ARG HB2 . 10024 1 154 . 1 1 19 19 ARG HB3 H 1 2.82 0.01 . 1 . . . . 19 ARG HB3 . 10024 1 155 . 1 1 19 19 ARG HG2 H 1 1.07 0.01 . 1 . . . . 19 ARG HG2 . 10024 1 156 . 1 1 19 19 ARG HG3 H 1 0.91 0.01 . 1 . . . . 19 ARG HG3 . 10024 1 157 . 1 1 19 19 ARG HD2 H 1 3.63 0.01 . 1 . . . . 19 ARG HD2 . 10024 1 158 . 1 1 19 19 ARG HD3 H 1 3.63 0.01 . 1 . . . . 19 ARG HD3 . 10024 1 159 . 1 1 19 19 ARG CA C 13 59.885 0.01 . 1 . . . . 19 ARG CA . 10024 1 160 . 1 1 19 19 ARG CB C 13 29.263 0.01 . 1 . . . . 19 ARG CB . 10024 1 161 . 1 1 19 19 ARG N N 15 117.16 0.01 . 1 . . . . 19 ARG N . 10024 1 162 . 1 1 20 20 LEU H H 1 8.12 0.01 . 1 . . . . 20 LEU H . 10024 1 163 . 1 1 20 20 LEU HA H 1 4.07 0.01 . 1 . . . . 20 LEU HA . 10024 1 164 . 1 1 20 20 LEU HB2 H 1 2.36 0.01 . 1 . . . . 20 LEU HB2 . 10024 1 165 . 1 1 20 20 LEU HB3 H 1 2.17 0.01 . 1 . . . . 20 LEU HB3 . 10024 1 166 . 1 1 20 20 LEU HG H 1 2.17 0.01 . 1 . . . . 20 LEU HG . 10024 1 167 . 1 1 20 20 LEU HD11 H 1 0.9 0.01 . 1 . . . . 20 LEU HD1 . 10024 1 168 . 1 1 20 20 LEU HD12 H 1 0.9 0.01 . 1 . . . . 20 LEU HD1 . 10024 1 169 . 1 1 20 20 LEU HD13 H 1 0.9 0.01 . 1 . . . . 20 LEU HD1 . 10024 1 170 . 1 1 20 20 LEU HD21 H 1 0.9 0.01 . 1 . . . . 20 LEU HD2 . 10024 1 171 . 1 1 20 20 LEU HD22 H 1 0.9 0.01 . 1 . . . . 20 LEU HD2 . 10024 1 172 . 1 1 20 20 LEU HD23 H 1 0.9 0.01 . 1 . . . . 20 LEU HD2 . 10024 1 173 . 1 1 20 20 LEU CA C 13 57.491 0.01 . 1 . . . . 20 LEU CA . 10024 1 174 . 1 1 20 20 LEU CB C 13 41.072 0.01 . 1 . . . . 20 LEU CB . 10024 1 175 . 1 1 20 20 LEU N N 15 118.37 0.01 . 1 . . . . 20 LEU N . 10024 1 176 . 1 1 21 21 TRP H H 1 8.36 0.01 . 1 . . . . 21 TRP H . 10024 1 177 . 1 1 21 21 TRP HA H 1 4.11 0.01 . 1 . . . . 21 TRP HA . 10024 1 178 . 1 1 21 21 TRP CA C 13 61.850 0.01 . 1 . . . . 21 TRP CA . 10024 1 179 . 1 1 21 21 TRP CB C 13 28.348 0.01 . 1 . . . . 21 TRP CB . 10024 1 180 . 1 1 21 21 TRP N N 15 119.97 0.01 . 1 . . . . 21 TRP N . 10024 1 181 . 1 1 22 22 VAL H H 1 8.71 0.01 . 1 . . . . 22 VAL H . 10024 1 182 . 1 1 22 22 VAL HA H 1 3.41 0.01 . 1 . . . . 22 VAL HA . 10024 1 183 . 1 1 22 22 VAL CA C 13 66.969 0.01 . 1 . . . . 22 VAL CA . 10024 1 184 . 1 1 22 22 VAL CB C 13 31.251 0.01 . 1 . . . . 22 VAL CB . 10024 1 185 . 1 1 22 22 VAL N N 15 118.29 0.01 . 1 . . . . 22 VAL N . 10024 1 186 . 1 1 23 23 ALA H H 1 8.26 0.01 . 1 . . . . 23 ALA H . 10024 1 187 . 1 1 23 23 ALA HA H 1 4.03 0.01 . 1 . . . . 23 ALA HA . 10024 1 188 . 1 1 23 23 ALA HB1 H 1 1.55 0.01 . 1 . . . . 23 ALA HB . 10024 1 189 . 1 1 23 23 ALA HB2 H 1 1.55 0.01 . 1 . . . . 23 ALA HB . 10024 1 190 . 1 1 23 23 ALA HB3 H 1 1.55 0.01 . 1 . . . . 23 ALA HB . 10024 1 191 . 1 1 23 23 ALA CA C 13 55.362 0.01 . 1 . . . . 23 ALA CA . 10024 1 192 . 1 1 23 23 ALA CB C 13 17.349 0.01 . 1 . . . . 23 ALA CB . 10024 1 193 . 1 1 23 23 ALA N N 15 121.29 0.01 . 1 . . . . 23 ALA N . 10024 1 194 . 1 1 24 24 PHE H H 1 8.57 0.01 . 1 . . . . 24 PHE H . 10024 1 195 . 1 1 24 24 PHE HA H 1 4.28 0.01 . 1 . . . . 24 PHE HA . 10024 1 196 . 1 1 24 24 PHE HB2 H 1 3.1 0.01 . 1 . . . . 24 PHE HB2 . 10024 1 197 . 1 1 24 24 PHE HB3 H 1 3.1 0.01 . 1 . . . . 24 PHE HB3 . 10024 1 198 . 1 1 24 24 PHE CA C 13 60.583 0.01 . 1 . . . . 24 PHE CA . 10024 1 199 . 1 1 24 24 PHE CB C 13 38.218 0.01 . 1 . . . . 24 PHE CB . 10024 1 200 . 1 1 24 24 PHE N N 15 117.5 0.01 . 1 . . . . 24 PHE N . 10024 1 201 . 1 1 25 25 GLN H H 1 8.17 0.01 . 1 . . . . 25 GLN H . 10024 1 202 . 1 1 25 25 GLN HA H 1 3.84 0.01 . 1 . . . . 25 GLN HA . 10024 1 203 . 1 1 25 25 GLN HB2 H 1 1.93 0.01 . 1 . . . . 25 GLN HB2 . 10024 1 204 . 1 1 25 25 GLN HB3 H 1 1.93 0.01 . 1 . . . . 25 GLN HB3 . 10024 1 205 . 1 1 25 25 GLN CA C 13 57.596 0.01 . 1 . . . . 25 GLN CA . 10024 1 206 . 1 1 25 25 GLN CB C 13 26.711 0.01 . 1 . . . . 25 GLN CB . 10024 1 207 . 1 1 25 25 GLN N N 15 117.1 0.01 . 1 . . . . 25 GLN N . 10024 1 208 . 1 1 26 26 MET H H 1 8.49 0.01 . 1 . . . . 26 MET H . 10024 1 209 . 1 1 26 26 MET HA H 1 4.01 0.01 . 1 . . . . 26 MET HA . 10024 1 210 . 1 1 26 26 MET HB2 H 1 2.08 0.01 . 1 . . . . 26 MET HB2 . 10024 1 211 . 1 1 26 26 MET HB3 H 1 1.99 0.01 . 1 . . . . 26 MET HB3 . 10024 1 212 . 1 1 26 26 MET CA C 13 59.030 0.01 . 1 . . . . 26 MET CA . 10024 1 213 . 1 1 26 26 MET CB C 13 31.984 0.01 . 1 . . . . 26 MET CB . 10024 1 214 . 1 1 26 26 MET N N 15 118.31 0.01 . 1 . . . . 26 MET N . 10024 1 215 . 1 1 27 27 MET H H 1 8.31 0.01 . 1 . . . . 27 MET H . 10024 1 216 . 1 1 27 27 MET HA H 1 4.1 0.01 . 1 . . . . 27 MET HA . 10024 1 217 . 1 1 27 27 MET HB2 H 1 2.22 0.01 . 1 . . . . 27 MET HB2 . 10024 1 218 . 1 1 27 27 MET HB3 H 1 2.22 0.01 . 1 . . . . 27 MET HB3 . 10024 1 219 . 1 1 27 27 MET CB C 13 32.021 0.01 . 1 . . . . 27 MET CB . 10024 1 220 . 1 1 27 27 MET N N 15 119 0.01 . 1 . . . . 27 MET N . 10024 1 221 . 1 1 28 28 LYS H H 1 8.19 0.01 . 1 . . . . 28 LYS H . 10024 1 222 . 1 1 28 28 LYS HA H 1 3.9 0.01 . 1 . . . . 28 LYS HA . 10024 1 223 . 1 1 28 28 LYS HB2 H 1 1.7 0.01 . 1 . . . . 28 LYS HB2 . 10024 1 224 . 1 1 28 28 LYS HB3 H 1 1.38 0.01 . 1 . . . . 28 LYS HB3 . 10024 1 225 . 1 1 28 28 LYS HG2 H 1 1.16 0.01 . 1 . . . . 28 LYS HG2 . 10024 1 226 . 1 1 28 28 LYS CA C 13 59.214 0.01 . 1 . . . . 28 LYS CA . 10024 1 227 . 1 1 28 28 LYS CB C 13 31.395 0.01 . 1 . . . . 28 LYS CB . 10024 1 228 . 1 1 28 28 LYS N N 15 119.28 0.01 . 1 . . . . 28 LYS N . 10024 1 229 . 1 1 29 29 GLY H H 1 8.34 0.01 . 1 . . . . 29 GLY H . 10024 1 230 . 1 1 29 29 GLY HA2 H 1 3.82 0.01 . 1 . . . . 29 GLY HA2 . 10024 1 231 . 1 1 29 29 GLY HA3 H 1 3.82 0.01 . 1 . . . . 29 GLY HA3 . 10024 1 232 . 1 1 29 29 GLY CA C 13 47.075 0.01 . 1 . . . . 29 GLY CA . 10024 1 233 . 1 1 29 29 GLY N N 15 105.86 0.01 . 1 . . . . 29 GLY N . 10024 1 234 . 1 1 30 30 ALA H H 1 8.42 0.01 . 1 . . . . 30 ALA H . 10024 1 235 . 1 1 30 30 ALA HA H 1 4.2 0.01 . 1 . . . . 30 ALA HA . 10024 1 236 . 1 1 30 30 ALA HB1 H 1 1.55 0.01 . 1 . . . . 30 ALA HB . 10024 1 237 . 1 1 30 30 ALA HB2 H 1 1.55 0.01 . 1 . . . . 30 ALA HB . 10024 1 238 . 1 1 30 30 ALA HB3 H 1 1.55 0.01 . 1 . . . . 30 ALA HB . 10024 1 239 . 1 1 30 30 ALA CA C 13 57.795 0.01 . 1 . . . . 30 ALA CA . 10024 1 240 . 1 1 30 30 ALA CB C 13 17.479 0.01 . 1 . . . . 30 ALA CB . 10024 1 241 . 1 1 30 30 ALA N N 15 123.52 0.01 . 1 . . . . 30 ALA N . 10024 1 242 . 1 1 31 31 GLY H H 1 8.49 0.01 . 1 . . . . 31 GLY H . 10024 1 243 . 1 1 31 31 GLY HA2 H 1 3.81 0.01 . 1 . . . . 31 GLY HA2 . 10024 1 244 . 1 1 31 31 GLY HA3 H 1 3.81 0.01 . 1 . . . . 31 GLY HA3 . 10024 1 245 . 1 1 31 31 GLY CA C 13 46.696 0.01 . 1 . . . . 31 GLY CA . 10024 1 246 . 1 1 31 31 GLY N N 15 105.56 0.01 . 1 . . . . 31 GLY N . 10024 1 247 . 1 1 32 32 TRP H H 1 8.45 0.01 . 1 . . . . 32 TRP H . 10024 1 248 . 1 1 32 32 TRP HA H 1 4.43 0.01 . 1 . . . . 32 TRP HA . 10024 1 249 . 1 1 32 32 TRP HB2 H 1 3.52 0.01 . 1 . . . . 32 TRP HB2 . 10024 1 250 . 1 1 32 32 TRP HB3 H 1 3.37 0.01 . 1 . . . . 32 TRP HB3 . 10024 1 251 . 1 1 32 32 TRP CA C 13 60.426 0.01 . 1 . . . . 32 TRP CA . 10024 1 252 . 1 1 32 32 TRP CB C 13 28.453 0.01 . 1 . . . . 32 TRP CB . 10024 1 253 . 1 1 32 32 TRP N N 15 123.09 0.01 . 1 . . . . 32 TRP N . 10024 1 254 . 1 1 33 33 ALA H H 1 8.57 0.01 . 1 . . . . 33 ALA H . 10024 1 255 . 1 1 33 33 ALA HA H 1 3.84 0.01 . 1 . . . . 33 ALA HA . 10024 1 256 . 1 1 33 33 ALA HB1 H 1 1.52 0.01 . 1 . . . . 33 ALA HB . 10024 1 257 . 1 1 33 33 ALA HB2 H 1 1.52 0.01 . 1 . . . . 33 ALA HB . 10024 1 258 . 1 1 33 33 ALA HB3 H 1 1.52 0.01 . 1 . . . . 33 ALA HB . 10024 1 259 . 1 1 33 33 ALA CA C 13 54.901 0.01 . 1 . . . . 33 ALA CA . 10024 1 260 . 1 1 33 33 ALA CB C 13 17.487 0.01 . 1 . . . . 33 ALA CB . 10024 1 261 . 1 1 33 33 ALA N N 15 120.02 0.01 . 1 . . . . 33 ALA N . 10024 1 262 . 1 1 34 34 GLY H H 1 8.63 0.01 . 1 . . . . 34 GLY H . 10024 1 263 . 1 1 34 34 GLY HA2 H 1 3.88 0.01 . 1 . . . . 34 GLY HA2 . 10024 1 264 . 1 1 34 34 GLY HA3 H 1 3.88 0.01 . 1 . . . . 34 GLY HA3 . 10024 1 265 . 1 1 34 34 GLY CA C 13 46.95 0.01 . 1 . . . . 34 GLY CA . 10024 1 266 . 1 1 34 34 GLY N N 15 104.21 0.01 . 1 . . . . 34 GLY N . 10024 1 267 . 1 1 35 35 GLY H H 1 8.33 0.01 . 1 . . . . 35 GLY H . 10024 1 268 . 1 1 35 35 GLY HA2 H 1 3.9 0.01 . 1 . . . . 35 GLY HA2 . 10024 1 269 . 1 1 35 35 GLY HA3 H 1 3.9 0.01 . 1 . . . . 35 GLY HA3 . 10024 1 270 . 1 1 35 35 GLY CA C 13 47.012 0.01 . 1 . . . . 35 GLY CA . 10024 1 271 . 1 1 35 35 GLY N N 15 109.26 0.01 . 1 . . . . 35 GLY N . 10024 1 272 . 1 1 36 36 VAL H H 1 8.26 0.01 . 1 . . . . 36 VAL H . 10024 1 273 . 1 1 36 36 VAL HA H 1 3.67 0.01 . 1 . . . . 36 VAL HA . 10024 1 274 . 1 1 36 36 VAL HB H 1 1.98 0.01 . 1 . . . . 36 VAL HB . 10024 1 275 . 1 1 36 36 VAL CA C 13 65.999 0.01 . 1 . . . . 36 VAL CA . 10024 1 276 . 1 1 36 36 VAL CB C 13 30.849 0.01 . 1 . . . . 36 VAL CB . 10024 1 277 . 1 1 36 36 VAL N N 15 121.86 0.01 . 1 . . . . 36 VAL N . 10024 1 278 . 1 1 37 37 PHE H H 1 8.53 0.01 . 1 . . . . 37 PHE H . 10024 1 279 . 1 1 37 37 PHE HA H 1 4.19 0.01 . 1 . . . . 37 PHE HA . 10024 1 280 . 1 1 37 37 PHE HB2 H 1 3.19 0.01 . 1 . . . . 37 PHE HB2 . 10024 1 281 . 1 1 37 37 PHE HB3 H 1 3.19 0.01 . 1 . . . . 37 PHE HB3 . 10024 1 282 . 1 1 37 37 PHE CA C 13 61.394 0.01 . 1 . . . . 37 PHE CA . 10024 1 283 . 1 1 37 37 PHE CB C 13 38.656 0.01 . 1 . . . . 37 PHE CB . 10024 1 284 . 1 1 37 37 PHE N N 15 122.83 0.01 . 1 . . . . 37 PHE N . 10024 1 285 . 1 1 38 38 PHE H H 1 8.82 0.01 . 1 . . . . 38 PHE H . 10024 1 286 . 1 1 38 38 PHE HA H 1 4.16 0.01 . 1 . . . . 38 PHE HA . 10024 1 287 . 1 1 38 38 PHE HB2 H 1 3.19 0.01 . 1 . . . . 38 PHE HB2 . 10024 1 288 . 1 1 38 38 PHE HB3 H 1 3.19 0.01 . 1 . . . . 38 PHE HB3 . 10024 1 289 . 1 1 38 38 PHE CA C 13 61.405 0.01 . 1 . . . . 38 PHE CA . 10024 1 290 . 1 1 38 38 PHE CB C 13 37.992 0.01 . 1 . . . . 38 PHE CB . 10024 1 291 . 1 1 38 38 PHE N N 15 117.52 0.01 . 1 . . . . 38 PHE N . 10024 1 292 . 1 1 39 39 GLY H H 1 8.74 0.01 . 1 . . . . 39 GLY H . 10024 1 293 . 1 1 39 39 GLY HA2 H 1 3.85 0.01 . 1 . . . . 39 GLY HA2 . 10024 1 294 . 1 1 39 39 GLY HA3 H 1 3.65 0.01 . 1 . . . . 39 GLY HA3 . 10024 1 295 . 1 1 39 39 GLY CA C 13 47.113 0.01 . 1 . . . . 39 GLY CA . 10024 1 296 . 1 1 39 39 GLY N N 15 105.56 0.01 . 1 . . . . 39 GLY N . 10024 1 297 . 1 1 40 40 THR H H 1 8.04 0.01 . 1 . . . . 40 THR H . 10024 1 298 . 1 1 40 40 THR HA H 1 3.97 0.01 . 1 . . . . 40 THR HA . 10024 1 299 . 1 1 40 40 THR HB H 1 1.98 0.01 . 1 . . . . 40 THR HB . 10024 1 300 . 1 1 40 40 THR CA C 13 67.30 0.01 . 1 . . . . 40 THR CA . 10024 1 301 . 1 1 40 40 THR CB C 13 67.921 0.01 . 1 . . . . 40 THR CB . 10024 1 302 . 1 1 40 40 THR N N 15 117.46 0.01 . 1 . . . . 40 THR N . 10024 1 303 . 1 1 41 41 LEU H H 1 7.74 0.01 . 1 . . . . 41 LEU H . 10024 1 304 . 1 1 41 41 LEU HA H 1 4.51 0.01 . 1 . . . . 41 LEU HA . 10024 1 305 . 1 1 41 41 LEU HB2 H 1 1.4 0.01 . 1 . . . . 41 LEU HB2 . 10024 1 306 . 1 1 41 41 LEU HB3 H 1 1.25 0.01 . 1 . . . . 41 LEU HB3 . 10024 1 307 . 1 1 41 41 LEU CA C 13 57.953 0.01 . 1 . . . . 41 LEU CA . 10024 1 308 . 1 1 41 41 LEU CB C 13 41.096 0.01 . 1 . . . . 41 LEU CB . 10024 1 309 . 1 1 41 41 LEU N N 15 120.94 0.01 . 1 . . . . 41 LEU N . 10024 1 310 . 1 1 42 42 LEU H H 1 8.06 0.01 . 1 . . . . 42 LEU H . 10024 1 311 . 1 1 42 42 LEU HA H 1 4.24 0.01 . 1 . . . . 42 LEU HA . 10024 1 312 . 1 1 42 42 LEU HB2 H 1 1.66 0.01 . 1 . . . . 42 LEU HB2 . 10024 1 313 . 1 1 42 42 LEU HB3 H 1 1.66 0.01 . 1 . . . . 42 LEU HB3 . 10024 1 314 . 1 1 42 42 LEU HG H 1 1.66 0.01 . 1 . . . . 42 LEU HG . 10024 1 315 . 1 1 42 42 LEU HD11 H 1 0.89 0.01 . 1 . . . . 42 LEU HD1 . 10024 1 316 . 1 1 42 42 LEU HD12 H 1 0.89 0.01 . 1 . . . . 42 LEU HD1 . 10024 1 317 . 1 1 42 42 LEU HD13 H 1 0.89 0.01 . 1 . . . . 42 LEU HD1 . 10024 1 318 . 1 1 42 42 LEU HD21 H 1 0.89 0.01 . 1 . . . . 42 LEU HD2 . 10024 1 319 . 1 1 42 42 LEU HD22 H 1 0.89 0.01 . 1 . . . . 42 LEU HD2 . 10024 1 320 . 1 1 42 42 LEU HD23 H 1 0.89 0.01 . 1 . . . . 42 LEU HD2 . 10024 1 321 . 1 1 42 42 LEU CA C 13 57.788 0.01 . 1 . . . . 42 LEU CA . 10024 1 322 . 1 1 42 42 LEU CB C 13 41.005 0.01 . 1 . . . . 42 LEU CB . 10024 1 323 . 1 1 42 42 LEU N N 15 118.78 0.01 . 1 . . . . 42 LEU N . 10024 1 324 . 1 1 43 43 LEU H H 1 7.93 0.01 . 1 . . . . 43 LEU H . 10024 1 325 . 1 1 43 43 LEU HA H 1 4.06 0.01 . 1 . . . . 43 LEU HA . 10024 1 326 . 1 1 43 43 LEU HB2 H 1 1.81 0.01 . 1 . . . . 43 LEU HB2 . 10024 1 327 . 1 1 43 43 LEU HB3 H 1 1.81 0.01 . 1 . . . . 43 LEU HB3 . 10024 1 328 . 1 1 43 43 LEU HG H 1 1.81 0.01 . 1 . . . . 43 LEU HG . 10024 1 329 . 1 1 43 43 LEU CA C 13 57.888 0.01 . 1 . . . . 43 LEU CA . 10024 1 330 . 1 1 43 43 LEU CB C 13 41.411 0.01 . 1 . . . . 43 LEU CB . 10024 1 331 . 1 1 43 43 LEU N N 15 119.76 0.01 . 1 . . . . 43 LEU N . 10024 1 332 . 1 1 44 44 ILE H H 1 8.42 0.01 . 1 . . . . 44 ILE H . 10024 1 333 . 1 1 44 44 ILE HA H 1 3.76 0.01 . 1 . . . . 44 ILE HA . 10024 1 334 . 1 1 44 44 ILE HB H 1 1.97 0.01 . 1 . . . . 44 ILE HB . 10024 1 335 . 1 1 44 44 ILE CA C 13 65.184 0.01 . 1 . . . . 44 ILE CA . 10024 1 336 . 1 1 44 44 ILE CB C 13 37.253 0.01 . 1 . . . . 44 ILE CB . 10024 1 337 . 1 1 44 44 ILE N N 15 118.1 0.01 . 1 . . . . 44 ILE N . 10024 1 338 . 1 1 45 45 GLY H H 1 8.41 0.01 . 1 . . . . 45 GLY H . 10024 1 339 . 1 1 45 45 GLY HA2 H 1 3.82 0.01 . 1 . . . . 45 GLY HA2 . 10024 1 340 . 1 1 45 45 GLY HA3 H 1 3.82 0.01 . 1 . . . . 45 GLY HA3 . 10024 1 341 . 1 1 45 45 GLY CA C 13 47.280 0.01 . 1 . . . . 45 GLY CA . 10024 1 342 . 1 1 45 45 GLY N N 15 106.54 0.01 . 1 . . . . 45 GLY N . 10024 1 343 . 1 1 46 46 PHE H H 1 8.57 0.01 . 1 . . . . 46 PHE H . 10024 1 344 . 1 1 46 46 PHE HA H 1 4.23 0.01 . 1 . . . . 46 PHE HA . 10024 1 345 . 1 1 46 46 PHE HB2 H 1 3.24 0.01 . 1 . . . . 46 PHE HB2 . 10024 1 346 . 1 1 46 46 PHE HB3 H 1 3.24 0.01 . 1 . . . . 46 PHE HB3 . 10024 1 347 . 1 1 46 46 PHE CA C 13 61.250 0.01 . 1 . . . . 46 PHE CA . 10024 1 348 . 1 1 46 46 PHE CB C 13 38.456 0.01 . 1 . . . . 46 PHE CB . 10024 1 349 . 1 1 46 46 PHE N N 15 121.66 0.01 . 1 . . . . 46 PHE N . 10024 1 350 . 1 1 47 47 PHE H H 1 8.6 0.01 . 1 . . . . 47 PHE H . 10024 1 351 . 1 1 47 47 PHE HA H 1 4.14 0.01 . 1 . . . . 47 PHE HA . 10024 1 352 . 1 1 47 47 PHE HB2 H 1 3.26 0.01 . 1 . . . . 47 PHE HB2 . 10024 1 353 . 1 1 47 47 PHE HB3 H 1 3.26 0.01 . 1 . . . . 47 PHE HB3 . 10024 1 354 . 1 1 47 47 PHE CA C 13 60.984 0.01 . 1 . . . . 47 PHE CA . 10024 1 355 . 1 1 47 47 PHE CB C 13 38.227 0.01 . 1 . . . . 47 PHE CB . 10024 1 356 . 1 1 47 47 PHE N N 15 117.49 0.01 . 1 . . . . 47 PHE N . 10024 1 357 . 1 1 48 48 ARG H H 1 8.49 0.01 . 1 . . . . 48 ARG H . 10024 1 358 . 1 1 48 48 ARG HA H 1 4.12 0.01 . 1 . . . . 48 ARG HA . 10024 1 359 . 1 1 48 48 ARG HB2 H 1 2.31 0.01 . 1 . . . . 48 ARG HB2 . 10024 1 360 . 1 1 48 48 ARG HB3 H 1 2.31 0.01 . 1 . . . . 48 ARG HB3 . 10024 1 361 . 1 1 48 48 ARG CA C 13 59.155 0.01 . 1 . . . . 48 ARG CA . 10024 1 362 . 1 1 48 48 ARG CB C 13 29.552 0.01 . 1 . . . . 48 ARG CB . 10024 1 363 . 1 1 48 48 ARG N N 15 118.31 0.01 . 1 . . . . 48 ARG N . 10024 1 364 . 1 1 49 49 VAL H H 1 8.03 0.01 . 1 . . . . 49 VAL H . 10024 1 365 . 1 1 49 49 VAL HA H 1 3.63 0.01 . 1 . . . . 49 VAL HA . 10024 1 366 . 1 1 49 49 VAL HB H 1 2.17 0.01 . 1 . . . . 49 VAL HB . 10024 1 367 . 1 1 49 49 VAL HG11 H 1 1.06 0.01 . 1 . . . . 49 VAL HG1 . 10024 1 368 . 1 1 49 49 VAL HG12 H 1 1.06 0.01 . 1 . . . . 49 VAL HG1 . 10024 1 369 . 1 1 49 49 VAL HG13 H 1 1.06 0.01 . 1 . . . . 49 VAL HG1 . 10024 1 370 . 1 1 49 49 VAL HG21 H 1 0.9 0.01 . 1 . . . . 49 VAL HG2 . 10024 1 371 . 1 1 49 49 VAL HG22 H 1 0.9 0.01 . 1 . . . . 49 VAL HG2 . 10024 1 372 . 1 1 49 49 VAL HG23 H 1 0.9 0.01 . 1 . . . . 49 VAL HG2 . 10024 1 373 . 1 1 49 49 VAL CA C 13 66.506 0.01 . 1 . . . . 49 VAL CA . 10024 1 374 . 1 1 49 49 VAL CB C 13 31.169 0.01 . 1 . . . . 49 VAL CB . 10024 1 375 . 1 1 49 49 VAL N N 15 118.43 0.01 . 1 . . . . 49 VAL N . 10024 1 376 . 1 1 50 50 VAL H H 1 8.22 0.01 . 1 . . . . 50 VAL H . 10024 1 377 . 1 1 50 50 VAL HA H 1 3.51 0.01 . 1 . . . . 50 VAL HA . 10024 1 378 . 1 1 50 50 VAL HB H 1 1.85 0.01 . 1 . . . . 50 VAL HB . 10024 1 379 . 1 1 50 50 VAL HG11 H 1 0.8 0.01 . 1 . . . . 50 VAL HG1 . 10024 1 380 . 1 1 50 50 VAL HG12 H 1 0.8 0.01 . 1 . . . . 50 VAL HG1 . 10024 1 381 . 1 1 50 50 VAL HG13 H 1 0.8 0.01 . 1 . . . . 50 VAL HG1 . 10024 1 382 . 1 1 50 50 VAL HG21 H 1 0.61 0.01 . 1 . . . . 50 VAL HG2 . 10024 1 383 . 1 1 50 50 VAL HG22 H 1 0.61 0.01 . 1 . . . . 50 VAL HG2 . 10024 1 384 . 1 1 50 50 VAL HG23 H 1 0.61 0.01 . 1 . . . . 50 VAL HG2 . 10024 1 385 . 1 1 50 50 VAL CA C 13 66.221 0.01 . 1 . . . . 50 VAL CA . 10024 1 386 . 1 1 50 50 VAL CB C 13 30.801 0.01 . 1 . . . . 50 VAL CB . 10024 1 387 . 1 1 50 50 VAL N N 15 118.42 0.01 . 1 . . . . 50 VAL N . 10024 1 388 . 1 1 51 51 GLY H H 1 8.34 0.01 . 1 . . . . 51 GLY H . 10024 1 389 . 1 1 51 51 GLY HA2 H 1 3.67 0.01 . 1 . . . . 51 GLY HA2 . 10024 1 390 . 1 1 51 51 GLY HA3 H 1 3.67 0.01 . 1 . . . . 51 GLY HA3 . 10024 1 391 . 1 1 51 51 GLY CA C 13 46.549 0.01 . 1 . . . . 51 GLY CA . 10024 1 392 . 1 1 51 51 GLY N N 15 105.03 0.01 . 1 . . . . 51 GLY N . 10024 1 393 . 1 1 52 52 ARG H H 1 7.51 0.01 . 1 . . . . 52 ARG H . 10024 1 394 . 1 1 52 52 ARG HA H 1 4.28 0.01 . 1 . . . . 52 ARG HA . 10024 1 395 . 1 1 52 52 ARG HB2 H 1 1.93 0.01 . 1 . . . . 52 ARG HB2 . 10024 1 396 . 1 1 52 52 ARG HB3 H 1 1.93 0.01 . 1 . . . . 52 ARG HB3 . 10024 1 397 . 1 1 52 52 ARG HG2 H 1 1.74 0.01 . 1 . . . . 52 ARG HG2 . 10024 1 398 . 1 1 52 52 ARG HG3 H 1 1.74 0.01 . 1 . . . . 52 ARG HG3 . 10024 1 399 . 1 1 52 52 ARG HD2 H 1 3.19 0.01 . 1 . . . . 52 ARG HD2 . 10024 1 400 . 1 1 52 52 ARG HD3 H 1 3.19 0.01 . 1 . . . . 52 ARG HD3 . 10024 1 401 . 1 1 52 52 ARG CA C 13 57.050 0.01 . 1 . . . . 52 ARG CA . 10024 1 402 . 1 1 52 52 ARG CB C 13 29.635 0.01 . 1 . . . . 52 ARG CB . 10024 1 403 . 1 1 52 52 ARG N N 15 116.41 0.01 . 1 . . . . 52 ARG N . 10024 1 404 . 1 1 53 53 MET H H 1 7.98 0.01 . 1 . . . . 53 MET H . 10024 1 405 . 1 1 53 53 MET HA H 1 4.44 0.01 . 1 . . . . 53 MET HA . 10024 1 406 . 1 1 53 53 MET HB2 H 1 2.57 0.01 . 1 . . . . 53 MET HB2 . 10024 1 407 . 1 1 53 53 MET HB3 H 1 2.57 0.01 . 1 . . . . 53 MET HB3 . 10024 1 408 . 1 1 53 53 MET HG2 H 1 2.16 0.01 . 1 . . . . 53 MET HG2 . 10024 1 409 . 1 1 53 53 MET HG3 H 1 2.16 0.01 . 1 . . . . 53 MET HG3 . 10024 1 410 . 1 1 53 53 MET CA C 13 56.447 0.01 . 1 . . . . 53 MET CA . 10024 1 411 . 1 1 53 53 MET CB C 13 32.322 0.01 . 1 . . . . 53 MET CB . 10024 1 412 . 1 1 53 53 MET N N 15 114.99 0.01 . 1 . . . . 53 MET N . 10024 1 413 . 1 1 54 54 LEU H H 1 8.08 0.01 . 1 . . . . 54 LEU H . 10024 1 414 . 1 1 54 54 LEU HA H 1 4.34 0.01 . 1 . . . . 54 LEU HA . 10024 1 415 . 1 1 54 54 LEU HB2 H 1 1.64 0.01 . 1 . . . . 54 LEU HB2 . 10024 1 416 . 1 1 54 54 LEU HB3 H 1 1.64 0.01 . 1 . . . . 54 LEU HB3 . 10024 1 417 . 1 1 54 54 LEU HG H 1 1.64 0.01 . 1 . . . . 54 LEU HG . 10024 1 418 . 1 1 54 54 LEU CA C 13 58.087 0.01 . 1 . . . . 54 LEU CA . 10024 1 419 . 1 1 54 54 LEU CB C 13 39.595 0.01 . 1 . . . . 54 LEU CB . 10024 1 420 . 1 1 54 54 LEU N N 15 120.04 0.01 . 1 . . . . 54 LEU N . 10024 1 421 . 1 1 55 55 PRO CA C 13 64.900 0.01 . 1 . . . . 55 PRO CA . 10024 1 422 . 1 1 55 55 PRO CB C 13 30.54 0.01 . 1 . . . . 55 PRO CB . 10024 1 423 . 1 1 56 56 ILE H H 1 7.13 0.01 . 1 . . . . 56 ILE H . 10024 1 424 . 1 1 56 56 ILE HA H 1 3.87 0.01 . 1 . . . . 56 ILE HA . 10024 1 425 . 1 1 56 56 ILE HB H 1 2.05 0.01 . 1 . . . . 56 ILE HB . 10024 1 426 . 1 1 56 56 ILE HG12 H 1 0.92 0.01 . 1 . . . . 56 ILE HG12 . 10024 1 427 . 1 1 56 56 ILE HG13 H 1 0.92 0.01 . 1 . . . . 56 ILE HG13 . 10024 1 428 . 1 1 56 56 ILE CA C 13 63.578 0.01 . 1 . . . . 56 ILE CA . 10024 1 429 . 1 1 56 56 ILE CB C 13 37.24 0.01 . 1 . . . . 56 ILE CB . 10024 1 430 . 1 1 56 56 ILE N N 15 114.84 0.01 . 1 . . . . 56 ILE N . 10024 1 431 . 1 1 57 57 GLN H H 1 8.12 0.01 . 1 . . . . 57 GLN H . 10024 1 432 . 1 1 57 57 GLN HA H 1 4.09 0.01 . 1 . . . . 57 GLN HA . 10024 1 433 . 1 1 57 57 GLN HB2 H 1 2.17 0.01 . 1 . . . . 57 GLN HB2 . 10024 1 434 . 1 1 57 57 GLN HB3 H 1 2.17 0.01 . 1 . . . . 57 GLN HB3 . 10024 1 435 . 1 1 57 57 GLN HG2 H 1 2.36 0.01 . 1 . . . . 57 GLN HG2 . 10024 1 436 . 1 1 57 57 GLN HG3 H 1 2.36 0.01 . 1 . . . . 57 GLN HG3 . 10024 1 437 . 1 1 57 57 GLN HE21 H 1 7.27 0.01 . 1 . . . . 57 GLN HE21 . 10024 1 438 . 1 1 57 57 GLN HE22 H 1 6.4 0.01 . 1 . . . . 57 GLN HE22 . 10024 1 439 . 1 1 57 57 GLN CA C 13 57.950 0.01 . 1 . . . . 57 GLN CA . 10024 1 440 . 1 1 57 57 GLN CB C 13 28.104 0.01 . 1 . . . . 57 GLN CB . 10024 1 441 . 1 1 57 57 GLN N N 15 118.83 0.01 . 1 . . . . 57 GLN N . 10024 1 442 . 1 1 57 57 GLN NE2 N 15 106.43 0.01 . 1 . . . . 57 GLN NE2 . 10024 1 443 . 1 1 58 58 GLU H H 1 8.37 0.01 . 1 . . . . 58 GLU H . 10024 1 444 . 1 1 58 58 GLU HA H 1 4.09 0.01 . 1 . . . . 58 GLU HA . 10024 1 445 . 1 1 58 58 GLU HB2 H 1 2.09 0.01 . 1 . . . . 58 GLU HB2 . 10024 1 446 . 1 1 58 58 GLU HB3 H 1 2.09 0.01 . 1 . . . . 58 GLU HB3 . 10024 1 447 . 1 1 58 58 GLU HG2 H 1 2.45 0.01 . 1 . . . . 58 GLU HG2 . 10024 1 448 . 1 1 58 58 GLU HG3 H 1 2.45 0.01 . 1 . . . . 58 GLU HG3 . 10024 1 449 . 1 1 58 58 GLU CA C 13 57.745 0.01 . 1 . . . . 58 GLU CA . 10024 1 450 . 1 1 58 58 GLU CB C 13 27.681 0.01 . 1 . . . . 58 GLU CB . 10024 1 451 . 1 1 58 58 GLU N N 15 115.56 0.01 . 1 . . . . 58 GLU N . 10024 1 452 . 1 1 59 59 ASN H H 1 7.49 0.01 . 1 . . . . 59 ASN H . 10024 1 453 . 1 1 59 59 ASN HA H 1 4.65 0.01 . 1 . . . . 59 ASN HA . 10024 1 454 . 1 1 59 59 ASN HB2 H 1 2.81 0.01 . 1 . . . . 59 ASN HB2 . 10024 1 455 . 1 1 59 59 ASN HB3 H 1 2.81 0.01 . 1 . . . . 59 ASN HB3 . 10024 1 456 . 1 1 59 59 ASN HD21 H 1 7.62 0.01 . 1 . . . . 59 ASN HD21 . 10024 1 457 . 1 1 59 59 ASN HD22 H 1 6.61 0.01 . 1 . . . . 59 ASN HD22 . 10024 1 458 . 1 1 59 59 ASN CA C 13 54.188 0.01 . 1 . . . . 59 ASN CA . 10024 1 459 . 1 1 59 59 ASN CB C 13 39.115 0.01 . 1 . . . . 59 ASN CB . 10024 1 460 . 1 1 59 59 ASN N N 15 113.62 0.01 . 1 . . . . 59 ASN N . 10024 1 461 . 1 1 59 59 ASN ND2 N 15 109.03 0.01 . 1 . . . . 59 ASN ND2 . 10024 1 462 . 1 1 60 60 GLN H H 1 7.74 0.01 . 1 . . . . 60 GLN H . 10024 1 463 . 1 1 60 60 GLN HA H 1 4.34 0.01 . 1 . . . . 60 GLN HA . 10024 1 464 . 1 1 60 60 GLN HB2 H 1 2.23 0.01 . 1 . . . . 60 GLN HB2 . 10024 1 465 . 1 1 60 60 GLN HB3 H 1 2.05 0.01 . 1 . . . . 60 GLN HB3 . 10024 1 466 . 1 1 60 60 GLN HG2 H 1 2.39 0.01 . 1 . . . . 60 GLN HG2 . 10024 1 467 . 1 1 60 60 GLN HG3 H 1 2.39 0.01 . 1 . . . . 60 GLN HG3 . 10024 1 468 . 1 1 60 60 GLN HE21 H 1 7.36 0.01 . 1 . . . . 60 GLN HE21 . 10024 1 469 . 1 1 60 60 GLN HE22 H 1 6.4 0.01 . 1 . . . . 60 GLN HE22 . 10024 1 470 . 1 1 60 60 GLN CA C 13 55.283 0.01 . 1 . . . . 60 GLN CA . 10024 1 471 . 1 1 60 60 GLN CB C 13 28.951 0.01 . 1 . . . . 60 GLN CB . 10024 1 472 . 1 1 60 60 GLN N N 15 115.2 0.01 . 1 . . . . 60 GLN N . 10024 1 473 . 1 1 60 60 GLN NE2 N 15 107.53 0.01 . 1 . . . . 60 GLN NE2 . 10024 1 474 . 1 1 61 61 ALA H H 1 7.74 0.01 . 1 . . . . 61 ALA H . 10024 1 475 . 1 1 61 61 ALA HA H 1 3.88 0.01 . 1 . . . . 61 ALA HA . 10024 1 476 . 1 1 61 61 ALA HB1 H 1 1.75 0.01 . 1 . . . . 61 ALA HB . 10024 1 477 . 1 1 61 61 ALA HB2 H 1 1.75 0.01 . 1 . . . . 61 ALA HB . 10024 1 478 . 1 1 61 61 ALA HB3 H 1 1.75 0.01 . 1 . . . . 61 ALA HB . 10024 1 479 . 1 1 61 61 ALA CA C 13 51.016 0.01 . 1 . . . . 61 ALA CA . 10024 1 480 . 1 1 61 61 ALA CB C 13 17.544 0.01 . 1 . . . . 61 ALA CB . 10024 1 481 . 1 1 61 61 ALA N N 15 120.94 0.01 . 1 . . . . 61 ALA N . 10024 1 482 . 1 1 62 62 PRO CA C 13 67.311 0.01 . 1 . . . . 62 PRO CA . 10024 1 483 . 1 1 62 62 PRO CB C 13 31.056 0.01 . 1 . . . . 62 PRO CB . 10024 1 484 . 1 1 63 63 ALA H H 1 8.2 0.01 . 1 . . . . 63 ALA H . 10024 1 485 . 1 1 63 63 ALA HA H 1 4.45 0.01 . 1 . . . . 63 ALA HA . 10024 1 486 . 1 1 63 63 ALA HB1 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 10024 1 487 . 1 1 63 63 ALA HB2 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 10024 1 488 . 1 1 63 63 ALA HB3 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 10024 1 489 . 1 1 63 63 ALA CA C 13 52.979 0.01 . 1 . . . . 63 ALA CA . 10024 1 490 . 1 1 63 63 ALA CB C 13 16.812 0.01 . 1 . . . . 63 ALA CB . 10024 1 491 . 1 1 63 63 ALA N N 15 119.8 0.01 . 1 . . . . 63 ALA N . 10024 1 492 . 1 1 64 64 PRO CA C 13 67.623 0.01 . 1 . . . . 64 PRO CA . 10024 1 493 . 1 1 64 64 PRO CB C 13 30.435 0.01 . 1 . . . . 64 PRO CB . 10024 1 494 . 1 1 65 65 ASN H H 1 7.88 0.01 . 1 . . . . 65 ASN H . 10024 1 495 . 1 1 65 65 ASN HA H 1 4.57 0.01 . 1 . . . . 65 ASN HA . 10024 1 496 . 1 1 65 65 ASN HB2 H 1 2.81 0.01 . 1 . . . . 65 ASN HB2 . 10024 1 497 . 1 1 65 65 ASN HB3 H 1 2.81 0.01 . 1 . . . . 65 ASN HB3 . 10024 1 498 . 1 1 65 65 ASN HD21 H 1 7.66 0.01 . 1 . . . . 65 ASN HD21 . 10024 1 499 . 1 1 65 65 ASN HD22 H 1 6.87 0.01 . 1 . . . . 65 ASN HD22 . 10024 1 500 . 1 1 65 65 ASN CA C 13 54.671 0.01 . 1 . . . . 65 ASN CA . 10024 1 501 . 1 1 65 65 ASN CB C 13 38.148 0.01 . 1 . . . . 65 ASN CB . 10024 1 502 . 1 1 65 65 ASN N N 15 115.1 0.01 . 1 . . . . 65 ASN N . 10024 1 503 . 1 1 65 65 ASN ND2 N 15 110.23 0.01 . 1 . . . . 65 ASN ND2 . 10024 1 504 . 1 1 66 66 ILE H H 1 8.32 0.01 . 1 . . . . 66 ILE H . 10024 1 505 . 1 1 66 66 ILE HA H 1 3.87 0.01 . 1 . . . . 66 ILE HA . 10024 1 506 . 1 1 66 66 ILE HB H 1 1.97 0.01 . 1 . . . . 66 ILE HB . 10024 1 507 . 1 1 66 66 ILE HG12 H 1 1.24 0.01 . 1 . . . . 66 ILE HG12 . 10024 1 508 . 1 1 66 66 ILE HG13 H 1 0.95 0.01 . 1 . . . . 66 ILE HG13 . 10024 1 509 . 1 1 66 66 ILE HG21 H 1 0.82 0.01 . 1 . . . . 66 ILE HG2 . 10024 1 510 . 1 1 66 66 ILE HG22 H 1 0.82 0.01 . 1 . . . . 66 ILE HG2 . 10024 1 511 . 1 1 66 66 ILE HG23 H 1 0.82 0.01 . 1 . . . . 66 ILE HG2 . 10024 1 512 . 1 1 66 66 ILE CA C 13 63.861 0.01 . 1 . . . . 66 ILE CA . 10024 1 513 . 1 1 66 66 ILE CB C 13 37.612 0.01 . 1 . . . . 66 ILE CB . 10024 1 514 . 1 1 66 66 ILE N N 15 119.92 0.01 . 1 . . . . 66 ILE N . 10024 1 515 . 1 1 67 67 THR H H 1 8.04 0.01 . 1 . . . . 67 THR H . 10024 1 516 . 1 1 67 67 THR HA H 1 4.15 0.01 . 1 . . . . 67 THR HA . 10024 1 517 . 1 1 67 67 THR HB H 1 3.83 0.01 . 1 . . . . 67 THR HB . 10024 1 518 . 1 1 67 67 THR HG21 H 1 1.23 0.01 . 1 . . . . 67 THR HG2 . 10024 1 519 . 1 1 67 67 THR HG22 H 1 1.23 0.01 . 1 . . . . 67 THR HG2 . 10024 1 520 . 1 1 67 67 THR HG23 H 1 1.23 0.01 . 1 . . . . 67 THR HG2 . 10024 1 521 . 1 1 67 67 THR CA C 13 66.669 0.01 . 1 . . . . 67 THR CA . 10024 1 522 . 1 1 67 67 THR CB C 13 68.263 0.01 . 1 . . . . 67 THR CB . 10024 1 523 . 1 1 67 67 THR N N 15 114.93 0.01 . 1 . . . . 67 THR N . 10024 1 524 . 1 1 68 68 GLY H H 1 8.34 0.01 . 1 . . . . 68 GLY H . 10024 1 525 . 1 1 68 68 GLY HA2 H 1 3.8 0.01 . 1 . . . . 68 GLY HA2 . 10024 1 526 . 1 1 68 68 GLY HA3 H 1 3.8 0.01 . 1 . . . . 68 GLY HA3 . 10024 1 527 . 1 1 68 68 GLY CA C 13 46.781 0.01 . 1 . . . . 68 GLY CA . 10024 1 528 . 1 1 68 68 GLY N N 15 107.71 0.01 . 1 . . . . 68 GLY N . 10024 1 529 . 1 1 69 69 ALA H H 1 8.07 0.01 . 1 . . . . 69 ALA H . 10024 1 530 . 1 1 69 69 ALA HA H 1 4.11 0.01 . 1 . . . . 69 ALA HA . 10024 1 531 . 1 1 69 69 ALA HB1 H 1 1.54 0.01 . 1 . . . . 69 ALA HB . 10024 1 532 . 1 1 69 69 ALA HB2 H 1 1.54 0.01 . 1 . . . . 69 ALA HB . 10024 1 533 . 1 1 69 69 ALA HB3 H 1 1.54 0.01 . 1 . . . . 69 ALA HB . 10024 1 534 . 1 1 69 69 ALA CA C 13 55.105 0.01 . 1 . . . . 69 ALA CA . 10024 1 535 . 1 1 69 69 ALA CB C 13 17.574 0.01 . 1 . . . . 69 ALA CB . 10024 1 536 . 1 1 69 69 ALA N N 15 123.95 0.01 . 1 . . . . 69 ALA N . 10024 1 537 . 1 1 70 70 LEU H H 1 8.33 0.01 . 1 . . . . 70 LEU H . 10024 1 538 . 1 1 70 70 LEU HA H 1 4.02 0.01 . 1 . . . . 70 LEU HA . 10024 1 539 . 1 1 70 70 LEU HB2 H 1 1.95 0.01 . 1 . . . . 70 LEU HB2 . 10024 1 540 . 1 1 70 70 LEU HB3 H 1 1.54 0.01 . 1 . . . . 70 LEU HB3 . 10024 1 541 . 1 1 70 70 LEU HG H 1 1.54 0.01 . 1 . . . . 70 LEU HG . 10024 1 542 . 1 1 70 70 LEU HD11 H 1 0.89 0.01 . 1 . . . . 70 LEU HD1 . 10024 1 543 . 1 1 70 70 LEU HD12 H 1 0.89 0.01 . 1 . . . . 70 LEU HD1 . 10024 1 544 . 1 1 70 70 LEU HD13 H 1 0.89 0.01 . 1 . . . . 70 LEU HD1 . 10024 1 545 . 1 1 70 70 LEU HD21 H 1 0.89 0.01 . 1 . . . . 70 LEU HD2 . 10024 1 546 . 1 1 70 70 LEU HD22 H 1 0.89 0.01 . 1 . . . . 70 LEU HD2 . 10024 1 547 . 1 1 70 70 LEU HD23 H 1 0.89 0.01 . 1 . . . . 70 LEU HD2 . 10024 1 548 . 1 1 70 70 LEU CA C 13 57.740 0.01 . 1 . . . . 70 LEU CA . 10024 1 549 . 1 1 70 70 LEU CB C 13 41.348 0.01 . 1 . . . . 70 LEU CB . 10024 1 550 . 1 1 70 70 LEU N N 15 118.18 0.01 . 1 . . . . 70 LEU N . 10024 1 551 . 1 1 71 71 GLU H H 1 8.34 0.01 . 1 . . . . 71 GLU H . 10024 1 552 . 1 1 71 71 GLU HA H 1 4.1 0.01 . 1 . . . . 71 GLU HA . 10024 1 553 . 1 1 71 71 GLU HB2 H 1 2.13 0.01 . 1 . . . . 71 GLU HB2 . 10024 1 554 . 1 1 71 71 GLU HB3 H 1 2.13 0.01 . 1 . . . . 71 GLU HB3 . 10024 1 555 . 1 1 71 71 GLU HG2 H 1 2.47 0.01 . 1 . . . . 71 GLU HG2 . 10024 1 556 . 1 1 71 71 GLU HG3 H 1 2.47 0.01 . 1 . . . . 71 GLU HG3 . 10024 1 557 . 1 1 71 71 GLU CA C 13 58.086 0.01 . 1 . . . . 71 GLU CA . 10024 1 558 . 1 1 71 71 GLU CB C 13 27.411 0.01 . 1 . . . . 71 GLU CB . 10024 1 559 . 1 1 71 71 GLU N N 15 116.72 0.01 . 1 . . . . 71 GLU N . 10024 1 stop_ save_