data_7082 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7082 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural determination of PutA45' 'Structure analysis' . 7082 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 PutA45 7082 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7082 _Entry.Title ; 1H, 13C, and 15N assignments for the Psuedomonas putida protein PutA45 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-21 _Entry.Accession_date 2006-04-21 _Entry.Last_release_date 2009-05-27 _Entry.Original_release_date 2009-05-27 _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 Steven Halouska . . . 7082 2 Yuzhen Zhou . . . 7082 3 Donald Becker . . . 7082 4 Robert Powers . . . 7082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 200 7082 '15N chemical shifts' 42 7082 '1H chemical shifts' 316 7082 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 . . 2009-05-27 2006-04-21 original author . 7082 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7082 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18767154 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Pseudomonas putida protein PpPutA45 and its DNA complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 75 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12 _Citation.Page_last 27 _Citation.Year 2009 _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 Steven Halouska . . . 7082 1 2 Yuzhen Zhou . . . 7082 1 3 Donald Becker . F. . 7082 1 4 Robert Powers . . . 7082 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Halouska 7082 1 PutA45 7082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7082 _Assembly.ID 1 _Assembly.Name PutA45 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12014 _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-protein complex' 7082 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 'PutA45 unit1' 1 $PutA45 . . yes native no no 1 'DNA binding and dimerization' 'This protein is a homodimer.' 7082 1 2 'PutA45 unit2' 1 $PutA45 . . yes native no no 1 'DNA binding and dimerization' 'This protein is a homodimer.' 7082 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID dimerization 7082 1 'DNA binding' 7082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PutA45 _Entity.Sf_category entity _Entity.Sf_framecode PutA45 _Entity.Entry_ID 7082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PutA45 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details homodimer _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATTTLGVKLDDPTRERLKA AAQSIDRTPHWLIKQAIFNY LEKLEHHHHHH ; _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 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6007 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details homodimer _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JXG . "Solution Structure Of The Dna Binding Domain Of Proline Utilization A (Puta)" . . . . . 88.24 45 100.00 100.00 8.76e-24 . . . . 7082 1 2 no PDB 2JXH . "Solution Structure Of Dna Binding Domain Of Proline Utilization A (Puta) For Psuedomonas Putida" . . . . . 88.24 45 100.00 100.00 8.76e-24 . . . . 7082 1 3 no PDB 2JXI . "Solution Structure Of The Dna-Binding Domain Of Pseudomonas Putida Proline Utilization A (Puta) Bound To Gttgca Dna Sequence" . . . . . 88.24 45 100.00 100.00 8.76e-24 . . . . 7082 1 4 no DBJ BAN56864 . "proline dehydrogenase/delta-1-pyrroline-5-carboxylate dehydrogenase [Pseudomonas putida NBRC 14164]" . . . . . 88.24 1317 100.00 100.00 5.86e-21 . . . . 7082 1 5 no DBJ BAO59856 . "trifunctional transcriptional regulator/proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase [Pseudomonas protegens Cab5" . . . . . 88.24 1317 97.78 97.78 1.76e-20 . . . . 7082 1 6 no EMBL CAK17638 . "proline dehydrogenase/delta-1-pyrroline-5-carboxylate dehydrogenase [Pseudomonas entomophila L48]" . . . . . 88.24 1317 100.00 100.00 5.32e-21 . . . . 7082 1 7 no EMBL CAY46727 . "bifunctional PutA protein [Pseudomonas fluorescens SBW25]" . . . . . 88.24 1317 97.78 97.78 9.86e-21 . . . . 7082 1 8 no EMBL CDF97094 . "Transcriptional repressor of PutA and PutP / Proline dehydrogenase (Proline oxidase) / Delta-1-pyrroline-5-carboxylate dehydrog" . . . . . 88.24 1317 97.78 97.78 1.68e-20 . . . . 7082 1 9 no GB AAF25000 . "proline dehydrogenase [Pseudomonas putida]" . . . . . 88.24 1315 100.00 100.00 1.10e-20 . . . . 7082 1 10 no GB AAF73193 . "proline dehydrogenase [Pseudomonas putida]" . . . . . 88.24 1315 100.00 100.00 1.10e-20 . . . . 7082 1 11 no GB AAN70514 . "proline dehydrogenase/delta-1-pyrroline-5-carboxylate dehydrogenase [Pseudomonas putida KT2440]" . . . . . 88.24 1317 100.00 100.00 5.74e-21 . . . . 7082 1 12 no GB AAO58445 . "bifunctional putA protein [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 88.24 1317 97.78 97.78 1.08e-20 . . . . 7082 1 13 no GB AAY95904 . "proline dehydrogenase/delta-1-pyrroline-5-carboxylate dehydrogenase [Pseudomonas protegens Pf-5]" . . . . . 88.24 1317 97.78 97.78 1.96e-20 . . . . 7082 1 14 no REF NP_747050 . "trifunctional transcriptional regulator/proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase [Pseudomonas putida KT2440]" . . . . . 88.24 1317 100.00 100.00 5.74e-21 . . . . 7082 1 15 no REF NP_794750 . "bifunctional putA protein [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 88.24 1317 97.78 97.78 1.08e-20 . . . . 7082 1 16 no REF WP_002551755 . "bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase [Pseudomonas savastanoi]" . . . . . 88.24 1317 97.78 97.78 1.08e-20 . . . . 7082 1 17 no REF WP_003171271 . "bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase [Pseudomonas fluorescens]" . . . . . 88.24 1317 97.78 97.78 1.03e-20 . . . . 7082 1 18 no REF WP_003186541 . "bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase [Pseudomonas fluorescens]" . . . . . 88.24 1317 97.78 97.78 1.68e-20 . . . . 7082 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID dimerization 7082 1 'DNA binding' 7082 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PutA45 . 7082 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID PutA45 7082 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 . 7082 1 2 . ALA . 7082 1 3 . THR . 7082 1 4 . THR . 7082 1 5 . THR . 7082 1 6 . LEU . 7082 1 7 . GLY . 7082 1 8 . VAL . 7082 1 9 . LYS . 7082 1 10 . LEU . 7082 1 11 . ASP . 7082 1 12 . ASP . 7082 1 13 . PRO . 7082 1 14 . THR . 7082 1 15 . ARG . 7082 1 16 . GLU . 7082 1 17 . ARG . 7082 1 18 . LEU . 7082 1 19 . LYS . 7082 1 20 . ALA . 7082 1 21 . ALA . 7082 1 22 . ALA . 7082 1 23 . GLN . 7082 1 24 . SER . 7082 1 25 . ILE . 7082 1 26 . ASP . 7082 1 27 . ARG . 7082 1 28 . THR . 7082 1 29 . PRO . 7082 1 30 . HIS . 7082 1 31 . TRP . 7082 1 32 . LEU . 7082 1 33 . ILE . 7082 1 34 . LYS . 7082 1 35 . GLN . 7082 1 36 . ALA . 7082 1 37 . ILE . 7082 1 38 . PHE . 7082 1 39 . ASN . 7082 1 40 . TYR . 7082 1 41 . LEU . 7082 1 42 . GLU . 7082 1 43 . LYS . 7082 1 44 . LEU . 7082 1 45 . GLU . 7082 1 46 . HIS . 7082 1 47 . HIS . 7082 1 48 . HIS . 7082 1 49 . HIS . 7082 1 50 . HIS . 7082 1 51 . HIS . 7082 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 7082 1 . ALA 2 2 7082 1 . THR 3 3 7082 1 . THR 4 4 7082 1 . THR 5 5 7082 1 . LEU 6 6 7082 1 . GLY 7 7 7082 1 . VAL 8 8 7082 1 . LYS 9 9 7082 1 . LEU 10 10 7082 1 . ASP 11 11 7082 1 . ASP 12 12 7082 1 . PRO 13 13 7082 1 . THR 14 14 7082 1 . ARG 15 15 7082 1 . GLU 16 16 7082 1 . ARG 17 17 7082 1 . LEU 18 18 7082 1 . LYS 19 19 7082 1 . ALA 20 20 7082 1 . ALA 21 21 7082 1 . ALA 22 22 7082 1 . GLN 23 23 7082 1 . SER 24 24 7082 1 . ILE 25 25 7082 1 . ASP 26 26 7082 1 . ARG 27 27 7082 1 . THR 28 28 7082 1 . PRO 29 29 7082 1 . HIS 30 30 7082 1 . TRP 31 31 7082 1 . LEU 32 32 7082 1 . ILE 33 33 7082 1 . LYS 34 34 7082 1 . GLN 35 35 7082 1 . ALA 36 36 7082 1 . ILE 37 37 7082 1 . PHE 38 38 7082 1 . ASN 39 39 7082 1 . TYR 40 40 7082 1 . LEU 41 41 7082 1 . GLU 42 42 7082 1 . LYS 43 43 7082 1 . LEU 44 44 7082 1 . GLU 45 45 7082 1 . HIS 46 46 7082 1 . HIS 47 47 7082 1 . HIS 48 48 7082 1 . HIS 49 49 7082 1 . HIS 51 51 7082 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 7082 _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 $PutA45 . 303 . no . 'Psuedomonas putida' . . Eubacteria . Psuedomonas putida . . . . . . . . . . . . . . . . . . . . . 7082 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 7082 _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 $PutA45 . 'Purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7082 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.2mM PutA45 [99% 13C, 99% 15 N] 50mM phospate buffer 200mM NaCl 10% D2O ; _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 PutA45 '[U-99% 13C, U-99% 15 N]' 1 $assembly . . . protein 2.2 . . mM . . . . 7082 1 2 'phospate buffer' . . . . . . buffer 50 . . mM . . . . 7082 1 3 NaCl . . . . . . salt 200 . . mM . . . . 7082 1 4 D2O . . . . . . . 10 . . % . . . . 7082 1 5 H2O . . . . . . . 90 . . % . . . . 7082 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7082 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 2.2mM PutA45 [99% 13C, 99% 15N] 50mM phospate buffer 200mM NaCl 10% D2O ; 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 'ionic strength' 200 0.1 mM 7082 1 pH 6.2 0.1 pH 7082 1 temperature 298 0.1 K 7082 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 7082 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 7082 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.5 _Software.Details . save_ save_Autoassign _Software.Sf_category software _Software.Sf_framecode Autoassign _Software.Entry_ID 7082 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.11.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7082 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 7082 _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 no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 4 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 5 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 6 HCCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 7 CCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 8 C13-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 9 N15-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 10 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7082 1 stop_ save_ save_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 $600MHz_spectrometer _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 7082 _NMR_spec_expt.ID 2 _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 7082 _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 $600MHz_spectrometer _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 7082 _NMR_spec_expt.ID 4 _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 $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_HCCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCCONH _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCCONH _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 $600MHz_spectrometer _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_CCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCCONH _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCCONH _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 $600MHz_spectrometer _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_C13-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C13-NOESY _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C13-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 $600MHz_spectrometer _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_N15-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15-NOESY _NMR_spec_expt.Entry_ID 7082 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name N15-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 $600MHz_spectrometer _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 7082 _NMR_spec_expt.ID 10 _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 $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7082 _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 . . . . . . . . . 7082 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7082 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7082 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7082 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7082 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 7.66 0.01 . 1 . . . . 2 ALA H . 7082 1 2 . 1 1 2 2 ALA HA H 1 4.10 0.01 . 1 . . . . 2 ALA HA . 7082 1 3 . 1 1 2 2 ALA HB1 H 1 1.49 0.01 . 1 . . . . 2 ALA HB . 7082 1 4 . 1 1 2 2 ALA HB2 H 1 1.49 0.01 . 1 . . . . 2 ALA HB . 7082 1 5 . 1 1 2 2 ALA HB3 H 1 1.49 0.01 . 1 . . . . 2 ALA HB . 7082 1 6 . 1 1 2 2 ALA CA C 13 51.90 0.1 . 1 . . . . 2 ALA CA . 7082 1 7 . 1 1 2 2 ALA CB C 13 20.00 0.1 . 1 . . . . 2 ALA CB . 7082 1 8 . 1 1 2 2 ALA N N 15 117.10 0.1 . 1 . . . . 2 ALA N . 7082 1 9 . 1 1 3 3 THR HA H 1 4.40 0.01 . 1 . . . . 3 THR HA . 7082 1 10 . 1 1 3 3 THR HB H 1 4.20 0.01 . 1 . . . . 3 THR HB . 7082 1 11 . 1 1 3 3 THR HG21 H 1 1.14 0.01 . 1 . . . . 3 THR HG2 . 7082 1 12 . 1 1 3 3 THR HG22 H 1 1.14 0.01 . 1 . . . . 3 THR HG2 . 7082 1 13 . 1 1 3 3 THR HG23 H 1 1.14 0.01 . 1 . . . . 3 THR HG2 . 7082 1 14 . 1 1 3 3 THR CA C 13 61.70 0.1 . 1 . . . . 3 THR CA . 7082 1 15 . 1 1 3 3 THR CB C 13 69.60 0.1 . 1 . . . . 3 THR CB . 7082 1 16 . 1 1 3 3 THR CG2 C 13 18.80 0.1 . 1 . . . . 3 THR CG2 . 7082 1 17 . 1 1 4 4 THR H H 1 8.07 0.01 . 1 . . . . 4 THR H . 7082 1 18 . 1 1 4 4 THR HA H 1 4.46 0.01 . 1 . . . . 4 THR HA . 7082 1 19 . 1 1 4 4 THR HB H 1 4.00 0.01 . 1 . . . . 4 THR HB . 7082 1 20 . 1 1 4 4 THR HG21 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 7082 1 21 . 1 1 4 4 THR HG22 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 7082 1 22 . 1 1 4 4 THR HG23 H 1 1.10 0.01 . 1 . . . . 4 THR HG2 . 7082 1 23 . 1 1 4 4 THR C C 13 170.60 0.1 . 1 . . . . 4 THR C . 7082 1 24 . 1 1 4 4 THR CA C 13 61.40 0.1 . 1 . . . . 4 THR CA . 7082 1 25 . 1 1 4 4 THR CB C 13 71.10 0.1 . 1 . . . . 4 THR CB . 7082 1 26 . 1 1 4 4 THR CG2 C 13 18.40 0.1 . 1 . . . . 4 THR CG2 . 7082 1 27 . 1 1 4 4 THR N N 15 125.20 0.1 . 1 . . . . 4 THR N . 7082 1 28 . 1 1 5 5 THR H H 1 8.41 0.01 . 1 . . . . 5 THR H . 7082 1 29 . 1 1 5 5 THR HA H 1 4.60 0.01 . 1 . . . . 5 THR HA . 7082 1 30 . 1 1 5 5 THR HB H 1 3.87 0.01 . 1 . . . . 5 THR HB . 7082 1 31 . 1 1 5 5 THR HG21 H 1 0.90 0.01 . 1 . . . . 5 THR HG2 . 7082 1 32 . 1 1 5 5 THR HG22 H 1 0.90 0.01 . 1 . . . . 5 THR HG2 . 7082 1 33 . 1 1 5 5 THR HG23 H 1 0.90 0.01 . 1 . . . . 5 THR HG2 . 7082 1 34 . 1 1 5 5 THR C C 13 171.20 0.1 . 1 . . . . 5 THR C . 7082 1 35 . 1 1 5 5 THR CA C 13 62.10 0.1 . 1 . . . . 5 THR CA . 7082 1 36 . 1 1 5 5 THR CB C 13 69.50 0.1 . 1 . . . . 5 THR CB . 7082 1 37 . 1 1 5 5 THR CG2 C 13 19.20 0.1 . 1 . . . . 5 THR CG2 . 7082 1 38 . 1 1 5 5 THR N N 15 119.10 0.1 . 1 . . . . 5 THR N . 7082 1 39 . 1 1 6 6 LEU H H 1 8.97 0.01 . 1 . . . . 6 LEU H . 7082 1 40 . 1 1 6 6 LEU HA H 1 4.49 0.01 . 1 . . . . 6 LEU HA . 7082 1 41 . 1 1 6 6 LEU HB2 H 1 1.42 0.01 . 2 . . . . 6 LEU HB2 . 7082 1 42 . 1 1 6 6 LEU HB3 H 1 1.36 0.01 . 2 . . . . 6 LEU HB3 . 7082 1 43 . 1 1 6 6 LEU HG H 1 1.49 0.01 . 1 . . . . 6 LEU HG . 7082 1 44 . 1 1 6 6 LEU HD11 H 1 0.70 0.01 . 2 . . . . 6 LEU HD1 . 7082 1 45 . 1 1 6 6 LEU HD12 H 1 0.70 0.01 . 2 . . . . 6 LEU HD1 . 7082 1 46 . 1 1 6 6 LEU HD13 H 1 0.70 0.01 . 2 . . . . 6 LEU HD1 . 7082 1 47 . 1 1 6 6 LEU HD21 H 1 0.62 0.01 . 2 . . . . 6 LEU HD2 . 7082 1 48 . 1 1 6 6 LEU HD22 H 1 0.62 0.01 . 2 . . . . 6 LEU HD2 . 7082 1 49 . 1 1 6 6 LEU HD23 H 1 0.62 0.01 . 2 . . . . 6 LEU HD2 . 7082 1 50 . 1 1 6 6 LEU C C 13 172.90 0.1 . 1 . . . . 6 LEU C . 7082 1 51 . 1 1 6 6 LEU CA C 13 54.20 0.1 . 1 . . . . 6 LEU CA . 7082 1 52 . 1 1 6 6 LEU CB C 13 43.90 0.1 . 1 . . . . 6 LEU CB . 7082 1 53 . 1 1 6 6 LEU CG C 13 25.60 0.1 . 1 . . . . 6 LEU CG . 7082 1 54 . 1 1 6 6 LEU CD1 C 13 22.30 0.1 . 1 . . . . 6 LEU CD1 . 7082 1 55 . 1 1 6 6 LEU CD2 C 13 22.30 0.1 . 1 . . . . 6 LEU CD2 . 7082 1 56 . 1 1 6 6 LEU N N 15 129.80 0.1 . 1 . . . . 6 LEU N . 7082 1 57 . 1 1 7 7 GLY H H 1 8.55 0.01 . 1 . . . . 7 GLY H . 7082 1 58 . 1 1 7 7 GLY HA2 H 1 3.87 0.01 . 1 . . . . 7 GLY HA2 . 7082 1 59 . 1 1 7 7 GLY HA3 H 1 3.87 0.01 . 1 . . . . 7 GLY HA3 . 7082 1 60 . 1 1 7 7 GLY C C 13 170.30 0.1 . 1 . . . . 7 GLY C . 7082 1 61 . 1 1 7 7 GLY CA C 13 45.50 0.1 . 1 . . . . 7 GLY CA . 7082 1 62 . 1 1 7 7 GLY N N 15 111.90 0.1 . 1 . . . . 7 GLY N . 7082 1 63 . 1 1 8 8 VAL H H 1 8.71 0.01 . 1 . . . . 8 VAL H . 7082 1 64 . 1 1 8 8 VAL HA H 1 4.34 0.01 . 1 . . . . 8 VAL HA . 7082 1 65 . 1 1 8 8 VAL HB H 1 1.85 0.01 . 1 . . . . 8 VAL HB . 7082 1 66 . 1 1 8 8 VAL HG11 H 1 0.75 0.01 . 2 . . . . 8 VAL HG1 . 7082 1 67 . 1 1 8 8 VAL HG12 H 1 0.75 0.01 . 2 . . . . 8 VAL HG1 . 7082 1 68 . 1 1 8 8 VAL HG13 H 1 0.75 0.01 . 2 . . . . 8 VAL HG1 . 7082 1 69 . 1 1 8 8 VAL HG21 H 1 0.66 0.01 . 2 . . . . 8 VAL HG2 . 7082 1 70 . 1 1 8 8 VAL HG22 H 1 0.66 0.01 . 2 . . . . 8 VAL HG2 . 7082 1 71 . 1 1 8 8 VAL HG23 H 1 0.66 0.01 . 2 . . . . 8 VAL HG2 . 7082 1 72 . 1 1 8 8 VAL C C 13 171.50 0.1 . 1 . . . . 8 VAL C . 7082 1 73 . 1 1 8 8 VAL CA C 13 60.80 0.1 . 1 . . . . 8 VAL CA . 7082 1 74 . 1 1 8 8 VAL CB C 13 33.70 0.1 . 1 . . . . 8 VAL CB . 7082 1 75 . 1 1 8 8 VAL CG1 C 13 18.70 0.1 . 2 . . . . 8 VAL CG1 . 7082 1 76 . 1 1 8 8 VAL CG2 C 13 17.90 0.1 . 2 . . . . 8 VAL CG2 . 7082 1 77 . 1 1 8 8 VAL N N 15 125.00 0.1 . 1 . . . . 8 VAL N . 7082 1 78 . 1 1 9 9 LYS H H 1 9.43 0.01 . 1 . . . . 9 LYS H . 7082 1 79 . 1 1 9 9 LYS HA H 1 4.60 0.01 . 1 . . . . 9 LYS HA . 7082 1 80 . 1 1 9 9 LYS HB2 H 1 1.69 0.01 . 2 . . . . 9 LYS HB2 . 7082 1 81 . 1 1 9 9 LYS HB3 H 1 1.50 0.01 . 2 . . . . 9 LYS HB3 . 7082 1 82 . 1 1 9 9 LYS HG2 H 1 1.38 0.01 . 1 . . . . 9 LYS HG2 . 7082 1 83 . 1 1 9 9 LYS HG3 H 1 1.38 0.01 . 1 . . . . 9 LYS HG3 . 7082 1 84 . 1 1 9 9 LYS HD2 H 1 1.62 0.01 . 1 . . . . 9 LYS HD2 . 7082 1 85 . 1 1 9 9 LYS HD3 H 1 1.62 0.01 . 1 . . . . 9 LYS HD3 . 7082 1 86 . 1 1 9 9 LYS HE2 H 1 2.92 0.01 . 1 . . . . 9 LYS HE2 . 7082 1 87 . 1 1 9 9 LYS HE3 H 1 2.92 0.01 . 1 . . . . 9 LYS HE3 . 7082 1 88 . 1 1 9 9 LYS C C 13 173.00 0.1 . 1 . . . . 9 LYS C . 7082 1 89 . 1 1 9 9 LYS CA C 13 56.10 0.1 . 1 . . . . 9 LYS CA . 7082 1 90 . 1 1 9 9 LYS CB C 13 32.60 0.1 . 1 . . . . 9 LYS CB . 7082 1 91 . 1 1 9 9 LYS CG C 13 22.60 0.1 . 1 . . . . 9 LYS CG . 7082 1 92 . 1 1 9 9 LYS CD C 13 26.30 0.1 . 1 . . . . 9 LYS CD . 7082 1 93 . 1 1 9 9 LYS CE C 13 39.10 0.1 . 1 . . . . 9 LYS CE . 7082 1 94 . 1 1 9 9 LYS N N 15 130.00 0.1 . 1 . . . . 9 LYS N . 7082 1 95 . 1 1 10 10 LEU H H 1 8.47 0.01 . 1 . . . . 10 LEU H . 7082 1 96 . 1 1 10 10 LEU HA H 1 4.78 0.01 . 1 . . . . 10 LEU HA . 7082 1 97 . 1 1 10 10 LEU HB2 H 1 1.54 0.01 . 2 . . . . 10 LEU HB2 . 7082 1 98 . 1 1 10 10 LEU HB3 H 1 1.20 0.01 . 2 . . . . 10 LEU HB3 . 7082 1 99 . 1 1 10 10 LEU HG H 1 1.88 0.01 . 1 . . . . 10 LEU HG . 7082 1 100 . 1 1 10 10 LEU HD11 H 1 0.73 0.01 . 2 . . . . 10 LEU HD1 . 7082 1 101 . 1 1 10 10 LEU HD12 H 1 0.73 0.01 . 2 . . . . 10 LEU HD1 . 7082 1 102 . 1 1 10 10 LEU HD13 H 1 0.73 0.01 . 2 . . . . 10 LEU HD1 . 7082 1 103 . 1 1 10 10 LEU HD21 H 1 0.66 0.01 . 2 . . . . 10 LEU HD2 . 7082 1 104 . 1 1 10 10 LEU HD22 H 1 0.66 0.01 . 2 . . . . 10 LEU HD2 . 7082 1 105 . 1 1 10 10 LEU HD23 H 1 0.66 0.01 . 2 . . . . 10 LEU HD2 . 7082 1 106 . 1 1 10 10 LEU C C 13 173.80 0.1 . 1 . . . . 10 LEU C . 7082 1 107 . 1 1 10 10 LEU CA C 13 52.80 0.1 . 1 . . . . 10 LEU CA . 7082 1 108 . 1 1 10 10 LEU CB C 13 45.80 0.1 . 1 . . . . 10 LEU CB . 7082 1 109 . 1 1 10 10 LEU CG C 13 23.70 0.1 . 1 . . . . 10 LEU CG . 7082 1 110 . 1 1 10 10 LEU CD1 C 13 20.30 0.1 . 1 . . . . 10 LEU CD1 . 7082 1 111 . 1 1 10 10 LEU CD2 C 13 20.30 0.1 . 1 . . . . 10 LEU CD2 . 7082 1 112 . 1 1 10 10 LEU N N 15 123.80 0.1 . 1 . . . . 10 LEU N . 7082 1 113 . 1 1 11 11 ASP H H 1 8.65 0.01 . 1 . . . . 11 ASP H . 7082 1 114 . 1 1 11 11 ASP HA H 1 4.69 0.01 . 1 . . . . 11 ASP HA . 7082 1 115 . 1 1 11 11 ASP HB2 H 1 3.08 0.01 . 2 . . . . 11 ASP HB2 . 7082 1 116 . 1 1 11 11 ASP HB3 H 1 2.76 0.01 . 2 . . . . 11 ASP HB3 . 7082 1 117 . 1 1 11 11 ASP C C 13 172.60 0.1 . 1 . . . . 11 ASP C . 7082 1 118 . 1 1 11 11 ASP CA C 13 52.70 0.1 . 1 . . . . 11 ASP CA . 7082 1 119 . 1 1 11 11 ASP CB C 13 42.00 0.1 . 1 . . . . 11 ASP CB . 7082 1 120 . 1 1 11 11 ASP N N 15 122.90 0.1 . 1 . . . . 11 ASP N . 7082 1 121 . 1 1 12 12 ASP H H 1 8.54 0.01 . 1 . . . . 12 ASP H . 7082 1 122 . 1 1 12 12 ASP HA H 1 4.54 0.01 . 1 . . . . 12 ASP HA . 7082 1 123 . 1 1 12 12 ASP HB2 H 1 2.75 0.01 . 2 . . . . 12 ASP HB2 . 7082 1 124 . 1 1 12 12 ASP HB3 H 1 2.68 0.01 . 2 . . . . 12 ASP HB3 . 7082 1 125 . 1 1 12 12 ASP CA C 13 59.20 0.1 . 1 . . . . 12 ASP CA . 7082 1 126 . 1 1 12 12 ASP CB C 13 38.10 0.1 . 1 . . . . 12 ASP CB . 7082 1 127 . 1 1 12 12 ASP N N 15 119.10 0.1 . 1 . . . . 12 ASP N . 7082 1 128 . 1 1 13 13 PRO HA H 1 4.27 0.01 . 1 . . . . 13 PRO HA . 7082 1 129 . 1 1 13 13 PRO HB2 H 1 2.27 0.01 . 2 . . . . 13 PRO HB2 . 7082 1 130 . 1 1 13 13 PRO HB3 H 1 1.83 0.01 . 2 . . . . 13 PRO HB3 . 7082 1 131 . 1 1 13 13 PRO HD2 H 1 3.81 0.01 . 2 . . . . 13 PRO HD2 . 7082 1 132 . 1 1 13 13 PRO HD3 H 1 3.66 0.01 . 2 . . . . 13 PRO HD3 . 7082 1 133 . 1 1 13 13 PRO C C 13 177.50 0.1 . 1 . . . . 13 PRO C . 7082 1 134 . 1 1 13 13 PRO CA C 13 66.00 0.1 . 1 . . . . 13 PRO CA . 7082 1 135 . 1 1 13 13 PRO CB C 13 30.90 0.1 . 1 . . . . 13 PRO CB . 7082 1 136 . 1 1 13 13 PRO CG C 13 28.30 0.1 . 1 . . . . 13 PRO CG . 7082 1 137 . 1 1 13 13 PRO CD C 13 47.30 0.1 . 1 . . . . 13 PRO CD . 7082 1 138 . 1 1 14 14 THR H H 1 7.94 0.01 . 1 . . . . 14 THR H . 7082 1 139 . 1 1 14 14 THR HA H 1 3.77 0.01 . 1 . . . . 14 THR HA . 7082 1 140 . 1 1 14 14 THR HB H 1 3.77 0.01 . 1 . . . . 14 THR HB . 7082 1 141 . 1 1 14 14 THR HG21 H 1 1.06 0.01 . 1 . . . . 14 THR HG2 . 7082 1 142 . 1 1 14 14 THR HG22 H 1 1.06 0.01 . 1 . . . . 14 THR HG2 . 7082 1 143 . 1 1 14 14 THR HG23 H 1 1.06 0.01 . 1 . . . . 14 THR HG2 . 7082 1 144 . 1 1 14 14 THR C C 13 173.40 0.1 . 1 . . . . 14 THR C . 7082 1 145 . 1 1 14 14 THR CA C 13 67.40 0.1 . 1 . . . . 14 THR CA . 7082 1 146 . 1 1 14 14 THR CB C 13 67.20 0.1 . 1 . . . . 14 THR CB . 7082 1 147 . 1 1 14 14 THR CG2 C 13 19.50 0.1 . 1 . . . . 14 THR CG2 . 7082 1 148 . 1 1 14 14 THR N N 15 115.60 0.1 . 1 . . . . 14 THR N . 7082 1 149 . 1 1 15 15 ARG H H 1 8.57 0.01 . 1 . . . . 15 ARG H . 7082 1 150 . 1 1 15 15 ARG HA H 1 3.74 0.01 . 1 . . . . 15 ARG HA . 7082 1 151 . 1 1 15 15 ARG HB2 H 1 2.03 0.01 . 2 . . . . 15 ARG HB2 . 7082 1 152 . 1 1 15 15 ARG HB3 H 1 1.82 0.01 . 2 . . . . 15 ARG HB3 . 7082 1 153 . 1 1 15 15 ARG HG2 H 1 1.70 0.01 . 1 . . . . 15 ARG HG2 . 7082 1 154 . 1 1 15 15 ARG HG3 H 1 1.70 0.01 . 1 . . . . 15 ARG HG3 . 7082 1 155 . 1 1 15 15 ARG HD2 H 1 2.93 0.01 . 1 . . . . 15 ARG HD2 . 7082 1 156 . 1 1 15 15 ARG HD3 H 1 2.93 0.01 . 1 . . . . 15 ARG HD3 . 7082 1 157 . 1 1 15 15 ARG C C 13 176.10 0.1 . 1 . . . . 15 ARG C . 7082 1 158 . 1 1 15 15 ARG CA C 13 60.80 0.1 . 1 . . . . 15 ARG CA . 7082 1 159 . 1 1 15 15 ARG CB C 13 29.80 0.1 . 1 . . . . 15 ARG CB . 7082 1 160 . 1 1 15 15 ARG CG C 13 27.10 0.1 . 1 . . . . 15 ARG CG . 7082 1 161 . 1 1 15 15 ARG CD C 13 40.10 0.1 . 1 . . . . 15 ARG CD . 7082 1 162 . 1 1 15 15 ARG N N 15 123.00 0.1 . 1 . . . . 15 ARG N . 7082 1 163 . 1 1 16 16 GLU H H 1 8.39 0.01 . 1 . . . . 16 GLU H . 7082 1 164 . 1 1 16 16 GLU HA H 1 3.98 0.01 . 1 . . . . 16 GLU HA . 7082 1 165 . 1 1 16 16 GLU HB2 H 1 2.04 0.01 . 1 . . . . 16 GLU HB2 . 7082 1 166 . 1 1 16 16 GLU HB3 H 1 2.04 0.01 . 1 . . . . 16 GLU HB3 . 7082 1 167 . 1 1 16 16 GLU HG2 H 1 2.30 0.01 . 1 . . . . 16 GLU HG2 . 7082 1 168 . 1 1 16 16 GLU HG3 H 1 2.30 0.01 . 1 . . . . 16 GLU HG3 . 7082 1 169 . 1 1 16 16 GLU C C 13 176.90 0.1 . 1 . . . . 16 GLU C . 7082 1 170 . 1 1 16 16 GLU CA C 13 59.20 0.1 . 1 . . . . 16 GLU CA . 7082 1 171 . 1 1 16 16 GLU CB C 13 29.10 0.1 . 1 . . . . 16 GLU CB . 7082 1 172 . 1 1 16 16 GLU CG C 13 33.20 0.1 . 1 . . . . 16 GLU CG . 7082 1 173 . 1 1 16 16 GLU N N 15 118.30 0.1 . 1 . . . . 16 GLU N . 7082 1 174 . 1 1 17 17 ARG H H 1 7.93 0.01 . 1 . . . . 17 ARG H . 7082 1 175 . 1 1 17 17 ARG HA H 1 4.06 0.01 . 1 . . . . 17 ARG HA . 7082 1 176 . 1 1 17 17 ARG HB2 H 1 1.97 0.01 . 2 . . . . 17 ARG HB2 . 7082 1 177 . 1 1 17 17 ARG HB3 H 1 1.89 0.01 . 2 . . . . 17 ARG HB3 . 7082 1 178 . 1 1 17 17 ARG HG2 H 1 1.58 0.01 . 1 . . . . 17 ARG HG2 . 7082 1 179 . 1 1 17 17 ARG HG3 H 1 1.58 0.01 . 1 . . . . 17 ARG HG3 . 7082 1 180 . 1 1 17 17 ARG HD2 H 1 3.13 0.01 . 1 . . . . 17 ARG HD2 . 7082 1 181 . 1 1 17 17 ARG HD3 H 1 3.13 0.01 . 1 . . . . 17 ARG HD3 . 7082 1 182 . 1 1 17 17 ARG C C 13 177.00 0.1 . 1 . . . . 17 ARG C . 7082 1 183 . 1 1 17 17 ARG CA C 13 59.40 0.1 . 1 . . . . 17 ARG CA . 7082 1 184 . 1 1 17 17 ARG CB C 13 31.80 0.1 . 1 . . . . 17 ARG CB . 7082 1 185 . 1 1 17 17 ARG CG C 13 24.40 0.1 . 1 . . . . 17 ARG CG . 7082 1 186 . 1 1 17 17 ARG CD C 13 40.60 0.1 . 1 . . . . 17 ARG CD . 7082 1 187 . 1 1 17 17 ARG N N 15 121.10 0.1 . 1 . . . . 17 ARG N . 7082 1 188 . 1 1 18 18 LEU H H 1 8.51 0.01 . 1 . . . . 18 LEU H . 7082 1 189 . 1 1 18 18 LEU HA H 1 3.94 0.01 . 1 . . . . 18 LEU HA . 7082 1 190 . 1 1 18 18 LEU HB2 H 1 1.64 0.01 . 1 . . . . 18 LEU HB2 . 7082 1 191 . 1 1 18 18 LEU HB3 H 1 1.64 0.01 . 1 . . . . 18 LEU HB3 . 7082 1 192 . 1 1 18 18 LEU HG H 1 1.58 0.01 . 1 . . . . 18 LEU HG . 7082 1 193 . 1 1 18 18 LEU HD11 H 1 0.81 0.01 . 2 . . . . 18 LEU HD1 . 7082 1 194 . 1 1 18 18 LEU HD12 H 1 0.81 0.01 . 2 . . . . 18 LEU HD1 . 7082 1 195 . 1 1 18 18 LEU HD13 H 1 0.81 0.01 . 2 . . . . 18 LEU HD1 . 7082 1 196 . 1 1 18 18 LEU HD21 H 1 0.77 0.01 . 2 . . . . 18 LEU HD2 . 7082 1 197 . 1 1 18 18 LEU HD22 H 1 0.77 0.01 . 2 . . . . 18 LEU HD2 . 7082 1 198 . 1 1 18 18 LEU HD23 H 1 0.77 0.01 . 2 . . . . 18 LEU HD2 . 7082 1 199 . 1 1 18 18 LEU C C 13 175.10 0.1 . 1 . . . . 18 LEU C . 7082 1 200 . 1 1 18 18 LEU CA C 13 58.50 0.1 . 1 . . . . 18 LEU CA . 7082 1 201 . 1 1 18 18 LEU CB C 13 42.70 0.1 . 1 . . . . 18 LEU CB . 7082 1 202 . 1 1 18 18 LEU CG C 13 24.80 0.1 . 1 . . . . 18 LEU CG . 7082 1 203 . 1 1 18 18 LEU CD1 C 13 23.10 0.1 . 1 . . . . 18 LEU CD1 . 7082 1 204 . 1 1 18 18 LEU CD2 C 13 23.10 0.1 . 1 . . . . 18 LEU CD2 . 7082 1 205 . 1 1 18 18 LEU N N 15 121.70 0.1 . 1 . . . . 18 LEU N . 7082 1 206 . 1 1 19 19 LYS H H 1 8.20 0.01 . 1 . . . . 19 LYS H . 7082 1 207 . 1 1 19 19 LYS HA H 1 3.79 0.01 . 1 . . . . 19 LYS HA . 7082 1 208 . 1 1 19 19 LYS HB2 H 1 1.89 0.01 . 1 . . . . 19 LYS HB2 . 7082 1 209 . 1 1 19 19 LYS HB3 H 1 1.89 0.01 . 1 . . . . 19 LYS HB3 . 7082 1 210 . 1 1 19 19 LYS HG2 H 1 1.56 0.01 . 2 . . . . 19 LYS HG2 . 7082 1 211 . 1 1 19 19 LYS HG3 H 1 1.32 0.01 . 2 . . . . 19 LYS HG3 . 7082 1 212 . 1 1 19 19 LYS HD2 H 1 1.67 0.01 . 1 . . . . 19 LYS HD2 . 7082 1 213 . 1 1 19 19 LYS HD3 H 1 1.67 0.01 . 1 . . . . 19 LYS HD3 . 7082 1 214 . 1 1 19 19 LYS HE2 H 1 2.88 0.01 . 1 . . . . 19 LYS HE2 . 7082 1 215 . 1 1 19 19 LYS HE3 H 1 2.88 0.01 . 1 . . . . 19 LYS HE3 . 7082 1 216 . 1 1 19 19 LYS C C 13 176.30 0.1 . 1 . . . . 19 LYS C . 7082 1 217 . 1 1 19 19 LYS CA C 13 60.10 0.1 . 1 . . . . 19 LYS CA . 7082 1 218 . 1 1 19 19 LYS CB C 13 32.30 0.1 . 1 . . . . 19 LYS CB . 7082 1 219 . 1 1 19 19 LYS CG C 13 22.40 0.1 . 1 . . . . 19 LYS CG . 7082 1 220 . 1 1 19 19 LYS CD C 13 26.90 0.1 . 1 . . . . 19 LYS CD . 7082 1 221 . 1 1 19 19 LYS CE C 13 39.00 0.1 . 1 . . . . 19 LYS CE . 7082 1 222 . 1 1 19 19 LYS N N 15 119.30 0.1 . 1 . . . . 19 LYS N . 7082 1 223 . 1 1 20 20 ALA H H 1 7.97 0.01 . 1 . . . . 20 ALA H . 7082 1 224 . 1 1 20 20 ALA HA H 1 4.10 0.01 . 1 . . . . 20 ALA HA . 7082 1 225 . 1 1 20 20 ALA HB1 H 1 1.43 0.01 . 1 . . . . 20 ALA HB . 7082 1 226 . 1 1 20 20 ALA HB2 H 1 1.43 0.01 . 1 . . . . 20 ALA HB . 7082 1 227 . 1 1 20 20 ALA HB3 H 1 1.43 0.01 . 1 . . . . 20 ALA HB . 7082 1 228 . 1 1 20 20 ALA C C 13 178.00 0.1 . 1 . . . . 20 ALA C . 7082 1 229 . 1 1 20 20 ALA CA C 13 54.90 0.1 . 1 . . . . 20 ALA CA . 7082 1 230 . 1 1 20 20 ALA CB C 13 18.10 0.1 . 1 . . . . 20 ALA CB . 7082 1 231 . 1 1 20 20 ALA N N 15 121.30 0.1 . 1 . . . . 20 ALA N . 7082 1 232 . 1 1 21 21 ALA H H 1 8.18 0.01 . 1 . . . . 21 ALA H . 7082 1 233 . 1 1 21 21 ALA HA H 1 4.04 0.01 . 1 . . . . 21 ALA HA . 7082 1 234 . 1 1 21 21 ALA HB1 H 1 1.38 0.01 . 1 . . . . 21 ALA HB . 7082 1 235 . 1 1 21 21 ALA HB2 H 1 1.38 0.01 . 1 . . . . 21 ALA HB . 7082 1 236 . 1 1 21 21 ALA HB3 H 1 1.38 0.01 . 1 . . . . 21 ALA HB . 7082 1 237 . 1 1 21 21 ALA C C 13 177.50 0.1 . 1 . . . . 21 ALA C . 7082 1 238 . 1 1 21 21 ALA CA C 13 54.80 0.1 . 1 . . . . 21 ALA CA . 7082 1 239 . 1 1 21 21 ALA CB C 13 18.60 0.1 . 1 . . . . 21 ALA CB . 7082 1 240 . 1 1 21 21 ALA N N 15 121.80 0.1 . 1 . . . . 21 ALA N . 7082 1 241 . 1 1 22 22 ALA H H 1 8.37 0.01 . 1 . . . . 22 ALA H . 7082 1 242 . 1 1 22 22 ALA HA H 1 3.74 0.01 . 1 . . . . 22 ALA HA . 7082 1 243 . 1 1 22 22 ALA HB1 H 1 1.36 0.01 . 1 . . . . 22 ALA HB . 7082 1 244 . 1 1 22 22 ALA HB2 H 1 1.36 0.01 . 1 . . . . 22 ALA HB . 7082 1 245 . 1 1 22 22 ALA HB3 H 1 1.36 0.01 . 1 . . . . 22 ALA HB . 7082 1 246 . 1 1 22 22 ALA C C 13 176.50 0.1 . 1 . . . . 22 ALA C . 7082 1 247 . 1 1 22 22 ALA CA C 13 55.40 0.1 . 1 . . . . 22 ALA CA . 7082 1 248 . 1 1 22 22 ALA CB C 13 18.30 0.1 . 1 . . . . 22 ALA CB . 7082 1 249 . 1 1 22 22 ALA N N 15 120.90 0.1 . 1 . . . . 22 ALA N . 7082 1 250 . 1 1 23 23 GLN H H 1 7.97 0.01 . 1 . . . . 23 GLN H . 7082 1 251 . 1 1 23 23 GLN HA H 1 4.10 0.01 . 1 . . . . 23 GLN HA . 7082 1 252 . 1 1 23 23 GLN HB2 H 1 2.13 0.01 . 2 . . . . 23 GLN HB2 . 7082 1 253 . 1 1 23 23 GLN HB3 H 1 2.10 0.01 . 2 . . . . 23 GLN HB3 . 7082 1 254 . 1 1 23 23 GLN HG2 H 1 2.51 0.01 . 2 . . . . 23 GLN HG2 . 7082 1 255 . 1 1 23 23 GLN HG3 H 1 2.38 0.01 . 2 . . . . 23 GLN HG3 . 7082 1 256 . 1 1 23 23 GLN C C 13 177.00 0.1 . 1 . . . . 23 GLN C . 7082 1 257 . 1 1 23 23 GLN CA C 13 58.80 0.1 . 1 . . . . 23 GLN CA . 7082 1 258 . 1 1 23 23 GLN CB C 13 28.30 0.1 . 1 . . . . 23 GLN CB . 7082 1 259 . 1 1 23 23 GLN CG C 13 31.40 0.1 . 1 . . . . 23 GLN CG . 7082 1 260 . 1 1 23 23 GLN N N 15 116.50 0.1 . 1 . . . . 23 GLN N . 7082 1 261 . 1 1 24 24 SER H H 1 7.82 0.01 . 1 . . . . 24 SER H . 7082 1 262 . 1 1 24 24 SER HA H 1 4.19 0.01 . 1 . . . . 24 SER HA . 7082 1 263 . 1 1 24 24 SER HB2 H 1 3.97 0.01 . 1 . . . . 24 SER HB2 . 7082 1 264 . 1 1 24 24 SER HB3 H 1 3.97 0.01 . 1 . . . . 24 SER HB3 . 7082 1 265 . 1 1 24 24 SER C C 13 172.60 0.1 . 1 . . . . 24 SER C . 7082 1 266 . 1 1 24 24 SER CA C 13 61.60 0.1 . 1 . . . . 24 SER CA . 7082 1 267 . 1 1 24 24 SER CB C 13 63.10 0.1 . 1 . . . . 24 SER CB . 7082 1 268 . 1 1 24 24 SER N N 15 115.00 0.1 . 1 . . . . 24 SER N . 7082 1 269 . 1 1 25 25 ILE H H 1 7.11 0.01 . 1 . . . . 25 ILE H . 7082 1 270 . 1 1 25 25 ILE HA H 1 4.49 0.01 . 1 . . . . 25 ILE HA . 7082 1 271 . 1 1 25 25 ILE HB H 1 2.05 0.01 . 1 . . . . 25 ILE HB . 7082 1 272 . 1 1 25 25 ILE HG12 H 1 1.41 0.01 . 1 . . . . 25 ILE HG12 . 7082 1 273 . 1 1 25 25 ILE HG13 H 1 1.41 0.01 . 1 . . . . 25 ILE HG13 . 7082 1 274 . 1 1 25 25 ILE HG21 H 1 0.81 0.01 . 1 . . . . 25 ILE HG2 . 7082 1 275 . 1 1 25 25 ILE HG22 H 1 0.81 0.01 . 1 . . . . 25 ILE HG2 . 7082 1 276 . 1 1 25 25 ILE HG23 H 1 0.81 0.01 . 1 . . . . 25 ILE HG2 . 7082 1 277 . 1 1 25 25 ILE HD11 H 1 1.05 0.01 . 1 . . . . 25 ILE HD1 . 7082 1 278 . 1 1 25 25 ILE HD12 H 1 1.05 0.01 . 1 . . . . 25 ILE HD1 . 7082 1 279 . 1 1 25 25 ILE HD13 H 1 1.05 0.01 . 1 . . . . 25 ILE HD1 . 7082 1 280 . 1 1 25 25 ILE C C 13 171.90 0.1 . 1 . . . . 25 ILE C . 7082 1 281 . 1 1 25 25 ILE CA C 13 60.70 0.1 . 1 . . . . 25 ILE CA . 7082 1 282 . 1 1 25 25 ILE CB C 13 38.50 0.1 . 1 . . . . 25 ILE CB . 7082 1 283 . 1 1 25 25 ILE CG1 C 13 26.60 0.1 . 1 . . . . 25 ILE CG1 . 7082 1 284 . 1 1 25 25 ILE CG2 C 13 14.90 0.1 . 1 . . . . 25 ILE CG2 . 7082 1 285 . 1 1 25 25 ILE CD1 C 13 12.40 0.1 . 1 . . . . 25 ILE CD1 . 7082 1 286 . 1 1 25 25 ILE N N 15 112.40 0.1 . 1 . . . . 25 ILE N . 7082 1 287 . 1 1 26 26 ASP H H 1 7.74 0.01 . 1 . . . . 26 ASP H . 7082 1 288 . 1 1 26 26 ASP HA H 1 4.21 0.01 . 1 . . . . 26 ASP HA . 7082 1 289 . 1 1 26 26 ASP HB2 H 1 2.98 0.01 . 2 . . . . 26 ASP HB2 . 7082 1 290 . 1 1 26 26 ASP HB3 H 1 2.39 0.01 . 2 . . . . 26 ASP HB3 . 7082 1 291 . 1 1 26 26 ASP C C 13 172.30 0.1 . 1 . . . . 26 ASP C . 7082 1 292 . 1 1 26 26 ASP CA C 13 55.20 0.1 . 1 . . . . 26 ASP CA . 7082 1 293 . 1 1 26 26 ASP CB C 13 39.40 0.1 . 1 . . . . 26 ASP CB . 7082 1 294 . 1 1 26 26 ASP N N 15 120.30 0.1 . 1 . . . . 26 ASP N . 7082 1 295 . 1 1 27 27 ARG H H 1 7.89 0.01 . 1 . . . . 27 ARG H . 7082 1 296 . 1 1 27 27 ARG HA H 1 4.59 0.01 . 1 . . . . 27 ARG HA . 7082 1 297 . 1 1 27 27 ARG HB2 H 1 1.53 0.01 . 2 . . . . 27 ARG HB2 . 7082 1 298 . 1 1 27 27 ARG HB3 H 1 1.23 0.01 . 2 . . . . 27 ARG HB3 . 7082 1 299 . 1 1 27 27 ARG C C 13 172.50 0.1 . 1 . . . . 27 ARG C . 7082 1 300 . 1 1 27 27 ARG CA C 13 52.30 0.1 . 1 . . . . 27 ARG CA . 7082 1 301 . 1 1 27 27 ARG CB C 13 32.50 0.1 . 1 . . . . 27 ARG CB . 7082 1 302 . 1 1 27 27 ARG N N 15 116.40 0.1 . 1 . . . . 27 ARG N . 7082 1 303 . 1 1 28 28 THR H H 1 7.74 0.01 . 1 . . . . 28 THR H . 7082 1 304 . 1 1 28 28 THR HA H 1 4.71 0.01 . 1 . . . . 28 THR HA . 7082 1 305 . 1 1 28 28 THR HB H 1 4.71 0.01 . 1 . . . . 28 THR HB . 7082 1 306 . 1 1 28 28 THR HG21 H 1 1.34 0.01 . 1 . . . . 28 THR HG2 . 7082 1 307 . 1 1 28 28 THR HG22 H 1 1.34 0.01 . 1 . . . . 28 THR HG2 . 7082 1 308 . 1 1 28 28 THR HG23 H 1 1.34 0.01 . 1 . . . . 28 THR HG2 . 7082 1 309 . 1 1 28 28 THR CA C 13 59.60 0.1 . 1 . . . . 28 THR CA . 7082 1 310 . 1 1 28 28 THR CB C 13 69.50 0.1 . 1 . . . . 28 THR CB . 7082 1 311 . 1 1 28 28 THR CG2 C 13 19.50 0.1 . 1 . . . . 28 THR CG2 . 7082 1 312 . 1 1 28 28 THR N N 15 109.40 0.1 . 1 . . . . 28 THR N . 7082 1 313 . 1 1 29 29 PRO HA H 1 4.00 0.01 . 1 . . . . 29 PRO HA . 7082 1 314 . 1 1 29 29 PRO HB2 H 1 2.01 0.01 . 2 . . . . 29 PRO HB2 . 7082 1 315 . 1 1 29 29 PRO HB3 H 1 1.87 0.01 . 2 . . . . 29 PRO HB3 . 7082 1 316 . 1 1 29 29 PRO HD2 H 1 3.84 0.01 . 2 . . . . 29 PRO HD2 . 7082 1 317 . 1 1 29 29 PRO HD3 H 1 3.67 0.01 . 2 . . . . 29 PRO HD3 . 7082 1 318 . 1 1 29 29 PRO C C 13 174.63 0.1 . 1 . . . . 29 PRO C . 7082 1 319 . 1 1 29 29 PRO CA C 13 66.00 0.1 . 1 . . . . 29 PRO CA . 7082 1 320 . 1 1 29 29 PRO CB C 13 31.60 0.1 . 1 . . . . 29 PRO CB . 7082 1 321 . 1 1 29 29 PRO CD C 13 47.70 0.1 . 1 . . . . 29 PRO CD . 7082 1 322 . 1 1 30 30 HIS H H 1 8.06 0.01 . 1 . . . . 30 HIS H . 7082 1 323 . 1 1 30 30 HIS HA H 1 3.94 0.01 . 1 . . . . 30 HIS HA . 7082 1 324 . 1 1 30 30 HIS HB2 H 1 3.16 0.01 . 1 . . . . 30 HIS HB2 . 7082 1 325 . 1 1 30 30 HIS HB3 H 1 3.16 0.01 . 1 . . . . 30 HIS HB3 . 7082 1 326 . 1 1 30 30 HIS HD2 H 1 7.23 0.01 . 1 . . . . 30 HIS HD2 . 7082 1 327 . 1 1 30 30 HIS HE1 H 1 8.14 0.01 . 1 . . . . 30 HIS HE1 . 7082 1 328 . 1 1 30 30 HIS C C 13 174.40 0.1 . 1 . . . . 30 HIS C . 7082 1 329 . 1 1 30 30 HIS CA C 13 60.80 0.1 . 1 . . . . 30 HIS CA . 7082 1 330 . 1 1 30 30 HIS CB C 13 30.10 0.1 . 1 . . . . 30 HIS CB . 7082 1 331 . 1 1 30 30 HIS CD2 C 13 123.40 0.1 . 1 . . . . 30 HIS CD2 . 7082 1 332 . 1 1 30 30 HIS CE1 C 13 137.70 0.1 . 1 . . . . 30 HIS CE1 . 7082 1 333 . 1 1 30 30 HIS N N 15 114.20 0.1 . 1 . . . . 30 HIS N . 7082 1 334 . 1 1 31 31 TRP H H 1 8.02 0.01 . 1 . . . . 31 TRP H . 7082 1 335 . 1 1 31 31 TRP HA H 1 3.56 0.01 . 1 . . . . 31 TRP HA . 7082 1 336 . 1 1 31 31 TRP HD1 H 1 7.12 0.01 . 1 . . . . 31 TRP HD1 . 7082 1 337 . 1 1 31 31 TRP HE1 H 1 10.18 0.01 . 1 . . . . 31 TRP HE1 . 7082 1 338 . 1 1 31 31 TRP HE3 H 1 7.14 0.01 . 1 . . . . 31 TRP HE3 . 7082 1 339 . 1 1 31 31 TRP HZ2 H 1 7.40 0.01 . 1 . . . . 31 TRP HZ2 . 7082 1 340 . 1 1 31 31 TRP HZ3 H 1 6.82 0.01 . 1 . . . . 31 TRP HZ3 . 7082 1 341 . 1 1 31 31 TRP HH2 H 1 6.92 0.01 . 1 . . . . 31 TRP HH2 . 7082 1 342 . 1 1 31 31 TRP C C 13 175.80 0.1 . 1 . . . . 31 TRP C . 7082 1 343 . 1 1 31 31 TRP CA C 13 61.40 0.1 . 1 . . . . 31 TRP CA . 7082 1 344 . 1 1 31 31 TRP CB C 13 30.00 0.1 . 1 . . . . 31 TRP CB . 7082 1 345 . 1 1 31 31 TRP CD1 C 13 124.70 0.1 . 1 . . . . 31 TRP CD1 . 7082 1 346 . 1 1 31 31 TRP CE3 C 13 119.90 0.1 . 1 . . . . 31 TRP CE3 . 7082 1 347 . 1 1 31 31 TRP CZ2 C 13 115.00 0.1 . 1 . . . . 31 TRP CZ2 . 7082 1 348 . 1 1 31 31 TRP CZ3 C 13 120.10 0.1 . 1 . . . . 31 TRP CZ3 . 7082 1 349 . 1 1 31 31 TRP CH2 C 13 120.30 0.1 . 1 . . . . 31 TRP CH2 . 7082 1 350 . 1 1 31 31 TRP N N 15 121.50 0.1 . 1 . . . . 31 TRP N . 7082 1 351 . 1 1 31 31 TRP NE1 N 15 130.10 0.1 . 1 . . . . 31 TRP NE1 . 7082 1 352 . 1 1 32 32 LEU H H 1 7.97 0.01 . 1 . . . . 32 LEU H . 7082 1 353 . 1 1 32 32 LEU HA H 1 3.73 0.01 . 1 . . . . 32 LEU HA . 7082 1 354 . 1 1 32 32 LEU HB2 H 1 1.80 0.01 . 2 . . . . 32 LEU HB2 . 7082 1 355 . 1 1 32 32 LEU HB3 H 1 1.70 0.01 . 2 . . . . 32 LEU HB3 . 7082 1 356 . 1 1 32 32 LEU HG H 1 1.80 0.01 . 1 . . . . 32 LEU HG . 7082 1 357 . 1 1 32 32 LEU HD11 H 1 0.95 0.01 . 2 . . . . 32 LEU HD1 . 7082 1 358 . 1 1 32 32 LEU HD12 H 1 0.95 0.01 . 2 . . . . 32 LEU HD1 . 7082 1 359 . 1 1 32 32 LEU HD13 H 1 0.95 0.01 . 2 . . . . 32 LEU HD1 . 7082 1 360 . 1 1 32 32 LEU HD21 H 1 0.94 0.01 . 2 . . . . 32 LEU HD2 . 7082 1 361 . 1 1 32 32 LEU HD22 H 1 0.94 0.01 . 2 . . . . 32 LEU HD2 . 7082 1 362 . 1 1 32 32 LEU HD23 H 1 0.94 0.01 . 2 . . . . 32 LEU HD2 . 7082 1 363 . 1 1 32 32 LEU C C 13 175.60 0.1 . 1 . . . . 32 LEU C . 7082 1 364 . 1 1 32 32 LEU CA C 13 59.50 0.1 . 1 . . . . 32 LEU CA . 7082 1 365 . 1 1 32 32 LEU CB C 13 42.70 0.1 . 1 . . . . 32 LEU CB . 7082 1 366 . 1 1 32 32 LEU CG C 13 26.60 0.1 . 1 . . . . 32 LEU CG . 7082 1 367 . 1 1 32 32 LEU CD1 C 13 24.40 0.1 . 1 . . . . 32 LEU CD1 . 7082 1 368 . 1 1 32 32 LEU CD2 C 13 24.40 0.1 . 1 . . . . 32 LEU CD2 . 7082 1 369 . 1 1 32 32 LEU N N 15 118.90 0.1 . 1 . . . . 32 LEU N . 7082 1 370 . 1 1 33 33 ILE H H 1 8.21 0.01 . 1 . . . . 33 ILE H . 7082 1 371 . 1 1 33 33 ILE HA H 1 3.10 0.01 . 1 . . . . 33 ILE HA . 7082 1 372 . 1 1 33 33 ILE HB H 1 1.68 0.01 . 1 . . . . 33 ILE HB . 7082 1 373 . 1 1 33 33 ILE HG12 H 1 1.80 0.01 . 1 . . . . 33 ILE HG12 . 7082 1 374 . 1 1 33 33 ILE HG13 H 1 1.80 0.01 . 1 . . . . 33 ILE HG13 . 7082 1 375 . 1 1 33 33 ILE HG21 H 1 0.60 0.01 . 1 . . . . 33 ILE HG2 . 7082 1 376 . 1 1 33 33 ILE HG22 H 1 0.60 0.01 . 1 . . . . 33 ILE HG2 . 7082 1 377 . 1 1 33 33 ILE HG23 H 1 0.60 0.01 . 1 . . . . 33 ILE HG2 . 7082 1 378 . 1 1 33 33 ILE HD11 H 1 0.57 0.01 . 1 . . . . 33 ILE HD1 . 7082 1 379 . 1 1 33 33 ILE HD12 H 1 0.57 0.01 . 1 . . . . 33 ILE HD1 . 7082 1 380 . 1 1 33 33 ILE HD13 H 1 0.57 0.01 . 1 . . . . 33 ILE HD1 . 7082 1 381 . 1 1 33 33 ILE C C 13 174.20 0.1 . 1 . . . . 33 ILE C . 7082 1 382 . 1 1 33 33 ILE CA C 13 66.20 0.1 . 1 . . . . 33 ILE CA . 7082 1 383 . 1 1 33 33 ILE CB C 13 37.60 0.1 . 1 . . . . 33 ILE CB . 7082 1 384 . 1 1 33 33 ILE CG1 C 13 26.60 0.1 . 1 . . . . 33 ILE CG1 . 7082 1 385 . 1 1 33 33 ILE CG2 C 13 14.90 0.1 . 1 . . . . 33 ILE CG2 . 7082 1 386 . 1 1 33 33 ILE CD1 C 13 11.40 0.1 . 1 . . . . 33 ILE CD1 . 7082 1 387 . 1 1 33 33 ILE N N 15 118.60 0.1 . 1 . . . . 33 ILE N . 7082 1 388 . 1 1 34 34 LYS H H 1 7.51 0.01 . 1 . . . . 34 LYS H . 7082 1 389 . 1 1 34 34 LYS HA H 1 3.27 0.01 . 1 . . . . 34 LYS HA . 7082 1 390 . 1 1 34 34 LYS HB2 H 1 1.43 0.01 . 1 . . . . 34 LYS HB2 . 7082 1 391 . 1 1 34 34 LYS HB3 H 1 1.43 0.01 . 1 . . . . 34 LYS HB3 . 7082 1 392 . 1 1 34 34 LYS HG2 H 1 1.14 0.01 . 1 . . . . 34 LYS HG2 . 7082 1 393 . 1 1 34 34 LYS HG3 H 1 1.14 0.01 . 1 . . . . 34 LYS HG3 . 7082 1 394 . 1 1 34 34 LYS HD2 H 1 1.54 0.01 . 1 . . . . 34 LYS HD2 . 7082 1 395 . 1 1 34 34 LYS HD3 H 1 1.54 0.01 . 1 . . . . 34 LYS HD3 . 7082 1 396 . 1 1 34 34 LYS HE2 H 1 2.78 0.01 . 1 . . . . 34 LYS HE2 . 7082 1 397 . 1 1 34 34 LYS HE3 H 1 2.78 0.01 . 1 . . . . 34 LYS HE3 . 7082 1 398 . 1 1 34 34 LYS C C 13 174.80 0.1 . 1 . . . . 34 LYS C . 7082 1 399 . 1 1 34 34 LYS CA C 13 60.50 0.1 . 1 . . . . 34 LYS CA . 7082 1 400 . 1 1 34 34 LYS CB C 13 31.00 0.1 . 1 . . . . 34 LYS CB . 7082 1 401 . 1 1 34 34 LYS CG C 13 22.80 0.1 . 1 . . . . 34 LYS CG . 7082 1 402 . 1 1 34 34 LYS CD C 13 28.50 0.1 . 1 . . . . 34 LYS CD . 7082 1 403 . 1 1 34 34 LYS CE C 13 39.00 0.1 . 1 . . . . 34 LYS CE . 7082 1 404 . 1 1 34 34 LYS N N 15 118.70 0.1 . 1 . . . . 34 LYS N . 7082 1 405 . 1 1 35 35 GLN H H 1 7.66 0.01 . 1 . . . . 35 GLN H . 7082 1 406 . 1 1 35 35 GLN HA H 1 3.45 0.01 . 1 . . . . 35 GLN HA . 7082 1 407 . 1 1 35 35 GLN HB2 H 1 1.41 0.01 . 2 . . . . 35 GLN HB2 . 7082 1 408 . 1 1 35 35 GLN HB3 H 1 1.04 0.01 . 2 . . . . 35 GLN HB3 . 7082 1 409 . 1 1 35 35 GLN HG2 H 1 1.48 0.01 . 2 . . . . 35 GLN HG2 . 7082 1 410 . 1 1 35 35 GLN HG3 H 1 1.10 0.01 . 2 . . . . 35 GLN HG3 . 7082 1 411 . 1 1 35 35 GLN C C 13 175.60 0.1 . 1 . . . . 35 GLN C . 7082 1 412 . 1 1 35 35 GLN CA C 13 57.70 0.1 . 1 . . . . 35 GLN CA . 7082 1 413 . 1 1 35 35 GLN CB C 13 27.50 0.1 . 1 . . . . 35 GLN CB . 7082 1 414 . 1 1 35 35 GLN CG C 13 29.50 0.1 . 1 . . . . 35 GLN CG . 7082 1 415 . 1 1 35 35 GLN N N 15 117.10 0.1 . 1 . . . . 35 GLN N . 7082 1 416 . 1 1 36 36 ALA H H 1 8.22 0.01 . 1 . . . . 36 ALA H . 7082 1 417 . 1 1 36 36 ALA HA H 1 3.47 0.01 . 1 . . . . 36 ALA HA . 7082 1 418 . 1 1 36 36 ALA HB1 H 1 1.16 0.01 . 1 . . . . 36 ALA HB . 7082 1 419 . 1 1 36 36 ALA HB2 H 1 1.16 0.01 . 1 . . . . 36 ALA HB . 7082 1 420 . 1 1 36 36 ALA HB3 H 1 1.16 0.01 . 1 . . . . 36 ALA HB . 7082 1 421 . 1 1 36 36 ALA C C 13 178.70 0.1 . 1 . . . . 36 ALA C . 7082 1 422 . 1 1 36 36 ALA CA C 13 54.80 0.1 . 1 . . . . 36 ALA CA . 7082 1 423 . 1 1 36 36 ALA CB C 13 17.10 0.1 . 1 . . . . 36 ALA CB . 7082 1 424 . 1 1 36 36 ALA N N 15 121.50 0.1 . 1 . . . . 36 ALA N . 7082 1 425 . 1 1 37 37 ILE H H 1 8.10 0.01 . 1 . . . . 37 ILE H . 7082 1 426 . 1 1 37 37 ILE HA H 1 3.20 0.01 . 1 . . . . 37 ILE HA . 7082 1 427 . 1 1 37 37 ILE HB H 1 1.71 0.01 . 1 . . . . 37 ILE HB . 7082 1 428 . 1 1 37 37 ILE HG12 H 1 1.83 0.01 . 1 . . . . 37 ILE HG12 . 7082 1 429 . 1 1 37 37 ILE HG13 H 1 1.83 0.01 . 1 . . . . 37 ILE HG13 . 7082 1 430 . 1 1 37 37 ILE HG21 H 1 0.54 0.01 . 1 . . . . 37 ILE HG2 . 7082 1 431 . 1 1 37 37 ILE HG22 H 1 0.54 0.01 . 1 . . . . 37 ILE HG2 . 7082 1 432 . 1 1 37 37 ILE HG23 H 1 0.54 0.01 . 1 . . . . 37 ILE HG2 . 7082 1 433 . 1 1 37 37 ILE HD11 H 1 0.45 0.01 . 1 . . . . 37 ILE HD1 . 7082 1 434 . 1 1 37 37 ILE HD12 H 1 0.45 0.01 . 1 . . . . 37 ILE HD1 . 7082 1 435 . 1 1 37 37 ILE HD13 H 1 0.45 0.01 . 1 . . . . 37 ILE HD1 . 7082 1 436 . 1 1 37 37 ILE C C 13 174.20 0.1 . 1 . . . . 37 ILE C . 7082 1 437 . 1 1 37 37 ILE CA C 13 66.30 0.1 . 1 . . . . 37 ILE CA . 7082 1 438 . 1 1 37 37 ILE CB C 13 37.70 0.1 . 1 . . . . 37 ILE CB . 7082 1 439 . 1 1 37 37 ILE CG1 C 13 26.60 0.1 . 1 . . . . 37 ILE CG1 . 7082 1 440 . 1 1 37 37 ILE CG2 C 13 14.20 0.1 . 1 . . . . 37 ILE CG2 . 7082 1 441 . 1 1 37 37 ILE CD1 C 13 12.80 0.1 . 1 . . . . 37 ILE CD1 . 7082 1 442 . 1 1 37 37 ILE N N 15 120.60 0.1 . 1 . . . . 37 ILE N . 7082 1 443 . 1 1 38 38 PHE H H 1 8.10 0.01 . 1 . . . . 38 PHE H . 7082 1 444 . 1 1 38 38 PHE HA H 1 4.14 0.01 . 1 . . . . 38 PHE HA . 7082 1 445 . 1 1 38 38 PHE HB2 H 1 3.15 0.01 . 2 . . . . 38 PHE HB2 . 7082 1 446 . 1 1 38 38 PHE HB3 H 1 2.94 0.01 . 2 . . . . 38 PHE HB3 . 7082 1 447 . 1 1 38 38 PHE HD1 H 1 7.03 0.01 . 3 . . . . 38 PHE HD1 . 7082 1 448 . 1 1 38 38 PHE HD2 H 1 7.03 0.01 . 3 . . . . 38 PHE HD2 . 7082 1 449 . 1 1 38 38 PHE HE1 H 1 7.20 0.01 . 3 . . . . 38 PHE HE1 . 7082 1 450 . 1 1 38 38 PHE HE2 H 1 7.20 0.01 . 3 . . . . 38 PHE HE2 . 7082 1 451 . 1 1 38 38 PHE HZ H 1 7.20 0.01 . 1 . . . . 38 PHE HZ . 7082 1 452 . 1 1 38 38 PHE C C 13 176.00 0.1 . 1 . . . . 38 PHE C . 7082 1 453 . 1 1 38 38 PHE CA C 13 60.90 0.1 . 1 . . . . 38 PHE CA . 7082 1 454 . 1 1 38 38 PHE CB C 13 37.60 0.1 . 1 . . . . 38 PHE CB . 7082 1 455 . 1 1 38 38 PHE CD1 C 13 131.00 0.1 . 3 . . . . 38 PHE CD1 . 7082 1 456 . 1 1 38 38 PHE CD2 C 13 131.00 0.1 . 3 . . . . 38 PHE CD2 . 7082 1 457 . 1 1 38 38 PHE CE1 C 13 131.00 0.1 . 3 . . . . 38 PHE CE1 . 7082 1 458 . 1 1 38 38 PHE CE2 C 13 131.00 0.1 . 3 . . . . 38 PHE CE2 . 7082 1 459 . 1 1 38 38 PHE CZ C 13 129.80 0.1 . 1 . . . . 38 PHE CZ . 7082 1 460 . 1 1 38 38 PHE N N 15 119.20 0.1 . 1 . . . . 38 PHE N . 7082 1 461 . 1 1 39 39 ASN H H 1 8.48 0.01 . 1 . . . . 39 ASN H . 7082 1 462 . 1 1 39 39 ASN HA H 1 4.33 0.01 . 1 . . . . 39 ASN HA . 7082 1 463 . 1 1 39 39 ASN HB2 H 1 2.81 0.01 . 2 . . . . 39 ASN HB2 . 7082 1 464 . 1 1 39 39 ASN HB3 H 1 2.76 0.01 . 2 . . . . 39 ASN HB3 . 7082 1 465 . 1 1 39 39 ASN C C 13 174.50 0.1 . 1 . . . . 39 ASN C . 7082 1 466 . 1 1 39 39 ASN CA C 13 56.30 0.1 . 1 . . . . 39 ASN CA . 7082 1 467 . 1 1 39 39 ASN CB C 13 39.00 0.1 . 1 . . . . 39 ASN CB . 7082 1 468 . 1 1 39 39 ASN N N 15 117.20 0.1 . 1 . . . . 39 ASN N . 7082 1 469 . 1 1 40 40 TYR H H 1 8.03 0.01 . 1 . . . . 40 TYR H . 7082 1 470 . 1 1 40 40 TYR HA H 1 4.21 0.01 . 1 . . . . 40 TYR HA . 7082 1 471 . 1 1 40 40 TYR HB2 H 1 3.26 0.01 . 2 . . . . 40 TYR HB2 . 7082 1 472 . 1 1 40 40 TYR HB3 H 1 2.82 0.01 . 2 . . . . 40 TYR HB3 . 7082 1 473 . 1 1 40 40 TYR HD1 H 1 6.87 0.01 . 3 . . . . 40 TYR HD1 . 7082 1 474 . 1 1 40 40 TYR HD2 H 1 6.87 0.01 . 3 . . . . 40 TYR HD2 . 7082 1 475 . 1 1 40 40 TYR HE1 H 1 6.64 0.01 . 3 . . . . 40 TYR HE1 . 7082 1 476 . 1 1 40 40 TYR HE2 H 1 6.64 0.01 . 3 . . . . 40 TYR HE2 . 7082 1 477 . 1 1 40 40 TYR C C 13 175.20 0.1 . 1 . . . . 40 TYR C . 7082 1 478 . 1 1 40 40 TYR CA C 13 61.10 0.1 . 1 . . . . 40 TYR CA . 7082 1 479 . 1 1 40 40 TYR CB C 13 39.60 0.1 . 1 . . . . 40 TYR CB . 7082 1 480 . 1 1 40 40 TYR CD1 C 13 132.10 0.1 . 3 . . . . 40 TYR CD1 . 7082 1 481 . 1 1 40 40 TYR CD2 C 13 132.10 0.1 . 3 . . . . 40 TYR CD2 . 7082 1 482 . 1 1 40 40 TYR CE1 C 13 118.20 0.1 . 3 . . . . 40 TYR CE1 . 7082 1 483 . 1 1 40 40 TYR CE2 C 13 118.20 0.1 . 3 . . . . 40 TYR CE2 . 7082 1 484 . 1 1 40 40 TYR N N 15 121.40 0.1 . 1 . . . . 40 TYR N . 7082 1 485 . 1 1 41 41 LEU H H 1 8.52 0.01 . 1 . . . . 41 LEU H . 7082 1 486 . 1 1 41 41 LEU HA H 1 4.30 0.01 . 1 . . . . 41 LEU HA . 7082 1 487 . 1 1 41 41 LEU HB2 H 1 1.84 0.01 . 2 . . . . 41 LEU HB2 . 7082 1 488 . 1 1 41 41 LEU HB3 H 1 1.30 0.01 . 2 . . . . 41 LEU HB3 . 7082 1 489 . 1 1 41 41 LEU HG H 1 1.56 0.01 . 1 . . . . 41 LEU HG . 7082 1 490 . 1 1 41 41 LEU HD11 H 1 0.86 0.01 . 2 . . . . 41 LEU HD1 . 7082 1 491 . 1 1 41 41 LEU HD12 H 1 0.86 0.01 . 2 . . . . 41 LEU HD1 . 7082 1 492 . 1 1 41 41 LEU HD13 H 1 0.86 0.01 . 2 . . . . 41 LEU HD1 . 7082 1 493 . 1 1 41 41 LEU HD21 H 1 0.80 0.01 . 2 . . . . 41 LEU HD2 . 7082 1 494 . 1 1 41 41 LEU HD22 H 1 0.80 0.01 . 2 . . . . 41 LEU HD2 . 7082 1 495 . 1 1 41 41 LEU HD23 H 1 0.80 0.01 . 2 . . . . 41 LEU HD2 . 7082 1 496 . 1 1 41 41 LEU C C 13 176.20 0.1 . 1 . . . . 41 LEU C . 7082 1 497 . 1 1 41 41 LEU CA C 13 57.80 0.1 . 1 . . . . 41 LEU CA . 7082 1 498 . 1 1 41 41 LEU CB C 13 41.30 0.1 . 1 . . . . 41 LEU CB . 7082 1 499 . 1 1 41 41 LEU CG C 13 23.30 0.1 . 1 . . . . 41 LEU CG . 7082 1 500 . 1 1 41 41 LEU CD1 C 13 20.10 0.1 . 1 . . . . 41 LEU CD1 . 7082 1 501 . 1 1 41 41 LEU CD2 C 13 20.10 0.1 . 1 . . . . 41 LEU CD2 . 7082 1 502 . 1 1 41 41 LEU N N 15 117.20 0.1 . 1 . . . . 41 LEU N . 7082 1 503 . 1 1 42 42 GLU H H 1 7.72 0.01 . 1 . . . . 42 GLU H . 7082 1 504 . 1 1 42 42 GLU HA H 1 3.85 0.01 . 1 . . . . 42 GLU HA . 7082 1 505 . 1 1 42 42 GLU HB2 H 1 2.00 0.01 . 1 . . . . 42 GLU HB2 . 7082 1 506 . 1 1 42 42 GLU HB3 H 1 2.00 0.01 . 1 . . . . 42 GLU HB3 . 7082 1 507 . 1 1 42 42 GLU HG2 H 1 2.22 0.01 . 1 . . . . 42 GLU HG2 . 7082 1 508 . 1 1 42 42 GLU HG3 H 1 2.22 0.01 . 1 . . . . 42 GLU HG3 . 7082 1 509 . 1 1 42 42 GLU C C 13 176.00 0.1 . 1 . . . . 42 GLU C . 7082 1 510 . 1 1 42 42 GLU CA C 13 59.30 0.1 . 1 . . . . 42 GLU CA . 7082 1 511 . 1 1 42 42 GLU CB C 13 29.60 0.1 . 1 . . . . 42 GLU CB . 7082 1 512 . 1 1 42 42 GLU CG C 13 33.70 0.1 . 1 . . . . 42 GLU CG . 7082 1 513 . 1 1 42 42 GLU N N 15 117.40 0.1 . 1 . . . . 42 GLU N . 7082 1 514 . 1 1 43 43 LYS H H 1 7.24 0.01 . 1 . . . . 43 LYS H . 7082 1 515 . 1 1 43 43 LYS HA H 1 3.99 0.01 . 1 . . . . 43 LYS HA . 7082 1 516 . 1 1 43 43 LYS HB2 H 1 1.80 0.01 . 1 . . . . 43 LYS HB2 . 7082 1 517 . 1 1 43 43 LYS HB3 H 1 1.80 0.01 . 1 . . . . 43 LYS HB3 . 7082 1 518 . 1 1 43 43 LYS HG2 H 1 1.45 0.01 . 2 . . . . 43 LYS HG2 . 7082 1 519 . 1 1 43 43 LYS HG3 H 1 1.30 0.01 . 2 . . . . 43 LYS HG3 . 7082 1 520 . 1 1 43 43 LYS HD2 H 1 1.50 0.01 . 1 . . . . 43 LYS HD2 . 7082 1 521 . 1 1 43 43 LYS HD3 H 1 1.50 0.01 . 1 . . . . 43 LYS HD3 . 7082 1 522 . 1 1 43 43 LYS HE2 H 1 2.78 0.01 . 1 . . . . 43 LYS HE2 . 7082 1 523 . 1 1 43 43 LYS HE3 H 1 2.78 0.01 . 1 . . . . 43 LYS HE3 . 7082 1 524 . 1 1 43 43 LYS C C 13 176.20 0.1 . 1 . . . . 43 LYS C . 7082 1 525 . 1 1 43 43 LYS CA C 13 58.50 0.1 . 1 . . . . 43 LYS CA . 7082 1 526 . 1 1 43 43 LYS CB C 13 32.00 0.1 . 1 . . . . 43 LYS CB . 7082 1 527 . 1 1 43 43 LYS CG C 13 22.00 0.1 . 1 . . . . 43 LYS CG . 7082 1 528 . 1 1 43 43 LYS CD C 13 26.50 0.1 . 1 . . . . 43 LYS CD . 7082 1 529 . 1 1 43 43 LYS CE C 13 39.20 0.1 . 1 . . . . 43 LYS CE . 7082 1 530 . 1 1 43 43 LYS N N 15 118.40 0.1 . 1 . . . . 43 LYS N . 7082 1 531 . 1 1 44 44 LEU H H 1 7.75 0.01 . 1 . . . . 44 LEU H . 7082 1 532 . 1 1 44 44 LEU HA H 1 3.89 0.01 . 1 . . . . 44 LEU HA . 7082 1 533 . 1 1 44 44 LEU HB2 H 1 1.55 0.01 . 2 . . . . 44 LEU HB2 . 7082 1 534 . 1 1 44 44 LEU HB3 H 1 1.43 0.01 . 2 . . . . 44 LEU HB3 . 7082 1 535 . 1 1 44 44 LEU HG H 1 1.52 0.01 . 1 . . . . 44 LEU HG . 7082 1 536 . 1 1 44 44 LEU HD11 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 7082 1 537 . 1 1 44 44 LEU HD12 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 7082 1 538 . 1 1 44 44 LEU HD13 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 7082 1 539 . 1 1 44 44 LEU HD21 H 1 0.63 0.01 . 2 . . . . 44 LEU HD2 . 7082 1 540 . 1 1 44 44 LEU HD22 H 1 0.63 0.01 . 2 . . . . 44 LEU HD2 . 7082 1 541 . 1 1 44 44 LEU HD23 H 1 0.63 0.01 . 2 . . . . 44 LEU HD2 . 7082 1 542 . 1 1 44 44 LEU CA C 13 57.20 0.1 . 1 . . . . 44 LEU CA . 7082 1 543 . 1 1 44 44 LEU CB C 13 42.20 0.1 . 1 . . . . 44 LEU CB . 7082 1 544 . 1 1 44 44 LEU CG C 13 23.30 0.1 . 1 . . . . 44 LEU CG . 7082 1 545 . 1 1 44 44 LEU CD1 C 13 20.40 0.1 . 1 . . . . 44 LEU CD1 . 7082 1 546 . 1 1 44 44 LEU CD2 C 13 20.40 0.1 . 1 . . . . 44 LEU CD2 . 7082 1 547 . 1 1 44 44 LEU N N 15 119.40 0.1 . 1 . . . . 44 LEU N . 7082 1 548 . 1 1 45 45 GLU H H 1 7.96 0.01 . 1 . . . . 45 GLU H . 7082 1 549 . 1 1 45 45 GLU HA H 1 3.98 0.01 . 1 . . . . 45 GLU HA . 7082 1 550 . 1 1 45 45 GLU HB2 H 1 1.90 0.01 . 2 . . . . 45 GLU HB2 . 7082 1 551 . 1 1 45 45 GLU HB3 H 1 1.81 0.01 . 2 . . . . 45 GLU HB3 . 7082 1 552 . 1 1 45 45 GLU HG2 H 1 2.08 0.01 . 1 . . . . 45 GLU HG2 . 7082 1 553 . 1 1 45 45 GLU HG3 H 1 2.08 0.01 . 1 . . . . 45 GLU HG3 . 7082 1 554 . 1 1 45 45 GLU C C 13 174.60 0.1 . 1 . . . . 45 GLU C . 7082 1 555 . 1 1 45 45 GLU CA C 13 57.50 0.1 . 1 . . . . 45 GLU CA . 7082 1 556 . 1 1 45 45 GLU CB C 13 29.70 0.1 . 1 . . . . 45 GLU CB . 7082 1 557 . 1 1 45 45 GLU CG C 13 33.50 0.1 . 1 . . . . 45 GLU CG . 7082 1 558 . 1 1 45 45 GLU N N 15 118.00 0.1 . 1 . . . . 45 GLU N . 7082 1 stop_ save_