data_15035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15035 _Entry.Title ; 1H, and 15N Chemical Shift Assignments for the N-terminal domain of Myxococcus xantus CarA protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-16 _Entry.Accession_date 2006-11-16 _Entry.Last_release_date 2007-02-08 _Entry.Original_release_date 2007-02-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Sequence corresponds to CarA(Nter) plus a His-tag at the N-end' _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 'M. Angeles' Jimenez . . . 15035 2 S. Padmanabhan . . . 15035 3 Carlos Gonzalez . . . 15035 4 Mari Perez-Marin . C. . 15035 5 Montserrat Elias-Arnanz . . . 15035 6 Francisco Murillo . J. . 15035 7 Manuel Rico . . . 15035 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Quimica-Fisica Rocasolano, CSIC' . 15035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 86 15035 '1H chemical shifts' 504 15035 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 . . 2007-02-08 2006-11-16 original author . 15035 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15023 CarA(Nter) 15035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural basis for operator and anti-repressor recognition by Myxococcus xanthus CarA repressor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 4 _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 980 _Citation.Page_last 994 _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 G. Navarro-Aviles . . . 15035 1 2 'M. Angeles' Jimenez . . . 15035 1 3 Mari Perez-Marin . C. . 15035 1 4 Carlos Gonzalez . . . 15035 1 5 Manuel Rico . . . 15035 1 6 Francisco Murillo . J. . 15035 1 7 Montserrat Elias-Arnanz . . . 15035 1 8 S. Padmanabhan . . . 15035 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 15035 1 'light response' 15035 1 'Myxococcus xanthus' 15035 1 NMR 15035 1 repressor-antirepressor 15035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15035 _Assembly.ID 1 _Assembly.Name h6CarA(Nter) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 h6CarA(Nter 1 $h6CarA(Nter) A . yes native no no . . . 15035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_h6CarA(Nter) _Entity.Sf_category entity _Entity.Sf_framecode h6CarA(Nter) _Entity.Entry_ID 15035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name h6CarA(Nter) _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 ; MGSSHHHHHHSSGLVPRGSH MTLRIRTIARMTGIREATLR AWERRYGFPRPLRSEGNNYR VYSREEVEAVRRVARLIQEE GLSVSEAIAQVKTEPPRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Nterminal M,-19 Residues GLVP are from -7 to -4. Residues HMTL are from 0 to 3. W, 22 C-terminal E, 78 ; _Entity.Polymer_author_seq_details 'Residues -19 to 0 represent an N-terminal His tag used for purification.' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 15023 . CarA(Nter) . . . . . 82.65 81 100.00 100.00 2.65e-48 . . . . 15035 1 2 no PDB 2JML . "Solution Structure Of The N-Terminal Domain Of Cara Repressor" . . . . . 82.65 81 100.00 100.00 2.65e-48 . . . . 15035 1 3 no EMBL CAA79964 . "transcriptional repressor of the light-inducible carB operon [Myxococcus xanthus]" . . . . . 79.59 288 100.00 100.00 6.58e-44 . . . . 15035 1 4 no GB ABF89801 . "B12 binding domain/transcriptional regulator, MerR family [Myxococcus xanthus DK 1622]" . . . . . 79.59 288 100.00 100.00 6.58e-44 . . . . 15035 1 5 no REF WP_011551024 . "transcriptional regulator [Myxococcus xanthus]" . . . . . 79.59 288 100.00 100.00 6.58e-44 . . . . 15035 1 6 no SP Q50899 . "RecName: Full=HTH-type transcriptional repressor CarA" . . . . . 79.59 288 100.00 100.00 6.58e-44 . . . . 15035 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID carotenogenesis 15035 1 'DNA binding' 15035 1 repressor 15035 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 -19 MET . 15035 1 2 -18 GLY . 15035 1 3 -17 SER . 15035 1 4 -16 SER . 15035 1 5 -15 HIS . 15035 1 6 -14 HIS . 15035 1 7 -13 HIS . 15035 1 8 -12 HIS . 15035 1 9 -11 HIS . 15035 1 10 -10 HIS . 15035 1 11 -9 SER . 15035 1 12 -8 SER . 15035 1 13 -7 GLY . 15035 1 14 -6 LEU . 15035 1 15 -5 VAL . 15035 1 16 -4 PRO . 15035 1 17 -3 ARG . 15035 1 18 -2 GLY . 15035 1 19 -1 SER . 15035 1 20 0 HIS . 15035 1 21 1 MET . 15035 1 22 2 THR . 15035 1 23 3 LEU . 15035 1 24 4 ARG . 15035 1 25 5 ILE . 15035 1 26 6 ARG . 15035 1 27 7 THR . 15035 1 28 8 ILE . 15035 1 29 9 ALA . 15035 1 30 10 ARG . 15035 1 31 11 MET . 15035 1 32 12 THR . 15035 1 33 13 GLY . 15035 1 34 14 ILE . 15035 1 35 15 ARG . 15035 1 36 16 GLU . 15035 1 37 17 ALA . 15035 1 38 18 THR . 15035 1 39 19 LEU . 15035 1 40 20 ARG . 15035 1 41 21 ALA . 15035 1 42 22 TRP . 15035 1 43 23 GLU . 15035 1 44 24 ARG . 15035 1 45 25 ARG . 15035 1 46 26 TYR . 15035 1 47 27 GLY . 15035 1 48 28 PHE . 15035 1 49 29 PRO . 15035 1 50 30 ARG . 15035 1 51 31 PRO . 15035 1 52 32 LEU . 15035 1 53 33 ARG . 15035 1 54 34 SER . 15035 1 55 35 GLU . 15035 1 56 36 GLY . 15035 1 57 37 ASN . 15035 1 58 38 ASN . 15035 1 59 39 TYR . 15035 1 60 40 ARG . 15035 1 61 41 VAL . 15035 1 62 42 TYR . 15035 1 63 43 SER . 15035 1 64 44 ARG . 15035 1 65 45 GLU . 15035 1 66 46 GLU . 15035 1 67 47 VAL . 15035 1 68 48 GLU . 15035 1 69 49 ALA . 15035 1 70 50 VAL . 15035 1 71 51 ARG . 15035 1 72 52 ARG . 15035 1 73 53 VAL . 15035 1 74 54 ALA . 15035 1 75 55 ARG . 15035 1 76 56 LEU . 15035 1 77 57 ILE . 15035 1 78 58 GLN . 15035 1 79 59 GLU . 15035 1 80 60 GLU . 15035 1 81 61 GLY . 15035 1 82 62 LEU . 15035 1 83 63 SER . 15035 1 84 64 VAL . 15035 1 85 65 SER . 15035 1 86 66 GLU . 15035 1 87 67 ALA . 15035 1 88 68 ILE . 15035 1 89 69 ALA . 15035 1 90 70 GLN . 15035 1 91 71 VAL . 15035 1 92 72 LYS . 15035 1 93 73 THR . 15035 1 94 74 GLU . 15035 1 95 75 PRO . 15035 1 96 76 PRO . 15035 1 97 77 ARG . 15035 1 98 78 GLU . 15035 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 15035 1 . GLY 2 2 15035 1 . SER 3 3 15035 1 . SER 4 4 15035 1 . HIS 5 5 15035 1 . HIS 6 6 15035 1 . HIS 7 7 15035 1 . HIS 8 8 15035 1 . HIS 9 9 15035 1 . HIS 10 10 15035 1 . SER 11 11 15035 1 . SER 12 12 15035 1 . GLY 13 13 15035 1 . LEU 14 14 15035 1 . VAL 15 15 15035 1 . PRO 16 16 15035 1 . ARG 17 17 15035 1 . GLY 18 18 15035 1 . SER 19 19 15035 1 . HIS 20 20 15035 1 . MET 21 21 15035 1 . THR 22 22 15035 1 . LEU 23 23 15035 1 . ARG 24 24 15035 1 . ILE 25 25 15035 1 . ARG 26 26 15035 1 . THR 27 27 15035 1 . ILE 28 28 15035 1 . ALA 29 29 15035 1 . ARG 30 30 15035 1 . MET 31 31 15035 1 . THR 32 32 15035 1 . GLY 33 33 15035 1 . ILE 34 34 15035 1 . ARG 35 35 15035 1 . GLU 36 36 15035 1 . ALA 37 37 15035 1 . THR 38 38 15035 1 . LEU 39 39 15035 1 . ARG 40 40 15035 1 . ALA 41 41 15035 1 . TRP 42 42 15035 1 . GLU 43 43 15035 1 . ARG 44 44 15035 1 . ARG 45 45 15035 1 . TYR 46 46 15035 1 . GLY 47 47 15035 1 . PHE 48 48 15035 1 . PRO 49 49 15035 1 . ARG 50 50 15035 1 . PRO 51 51 15035 1 . LEU 52 52 15035 1 . ARG 53 53 15035 1 . SER 54 54 15035 1 . GLU 55 55 15035 1 . GLY 56 56 15035 1 . ASN 57 57 15035 1 . ASN 58 58 15035 1 . TYR 59 59 15035 1 . ARG 60 60 15035 1 . VAL 61 61 15035 1 . TYR 62 62 15035 1 . SER 63 63 15035 1 . ARG 64 64 15035 1 . GLU 65 65 15035 1 . GLU 66 66 15035 1 . VAL 67 67 15035 1 . GLU 68 68 15035 1 . ALA 69 69 15035 1 . VAL 70 70 15035 1 . ARG 71 71 15035 1 . ARG 72 72 15035 1 . VAL 73 73 15035 1 . ALA 74 74 15035 1 . ARG 75 75 15035 1 . LEU 76 76 15035 1 . ILE 77 77 15035 1 . GLN 78 78 15035 1 . GLU 79 79 15035 1 . GLU 80 80 15035 1 . GLY 81 81 15035 1 . LEU 82 82 15035 1 . SER 83 83 15035 1 . VAL 84 84 15035 1 . SER 85 85 15035 1 . GLU 86 86 15035 1 . ALA 87 87 15035 1 . ILE 88 88 15035 1 . ALA 89 89 15035 1 . GLN 90 90 15035 1 . VAL 91 91 15035 1 . LYS 92 92 15035 1 . THR 93 93 15035 1 . GLU 94 94 15035 1 . PRO 95 95 15035 1 . PRO 96 96 15035 1 . ARG 97 97 15035 1 . GLU 98 98 15035 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 15035 _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 $h6CarA(Nter) . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus . . . . . . . . . . . . . . . . . . . . . 15035 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 15035 _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 $h6CarA(Nter) . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 15035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15035 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM NaCl 50 mM phosphate buffer DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 h6CarA(Nter) 'natural abundance' . . 1 $h6CarA(Nter) . . . 0.5 1.0 mM . . . . 15035 1 2 H2O . . . . . . . 90 . . % . . . . 15035 1 3 D2O . . . . . . . 10 . . % . . . . 15035 1 4 DSS . . . . . . . . 0.1 0.5 mM . . . . 15035 1 5 'sodium chloride' . . . . . . . 100 . . mM . . . . 15035 1 6 'sodium phosphate' . . . . . . . 50 . . mM . . . . 15035 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15035 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM NaCl 50 mM phosphate buffer DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 h6CarA(Nter) 'natural abundance' . . 1 $h6CarA(Nter) . . . 0.5 1.0 mM . . . . 15035 2 2 D2O . . . . . . . 100 . . % . . . . 15035 2 3 DSS . . . . . . . . 0.1 0.5 mM . . . . 15035 2 4 'sodium chloride' . . . . . . . 100 . . mM . . . . 15035 2 5 'sodium phosphate' . . . . . . . 50 . . mM . . . . 15035 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15035 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM NaCl 50 mM phosphate buffer DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 h6CarA(Nter) '[U-100% 15N]' . . 1 $h6CarA(Nter) . . . 0.5 1.0 mM . . . . 15035 3 2 H2O . . . . . . . 90 . . % . . . . 15035 3 3 D2O . . . . . . . 10 . . % . . . . 15035 3 4 DSS . . . . . . . . 0.1 0.5 mM . . . . 15035 3 5 'sodium chloride' . . . . . . . 100 . . mM . . . . 15035 3 6 'sodium phosphate' . . . . . . . 50 . . mM . . . . 15035 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15035 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 100 mM NaCl 50 mM phosphate buffer ; 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' 0.150 . M 15035 1 pH 6.0 . pH 15035 1 pressure 1 . atm 15035 1 temperature 298 . K 15035 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15035 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T Goddard' . . 15035 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15035 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 15035 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15035 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15035 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15035 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 8 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 11 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15035 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15035 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15035 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15035 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err . _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 '2D 1H-15N HSQC' . . . 15035 1 2 '3D 1H-15N NOESY' . . . 15035 1 6 '2D 1H-1H NOESY' . . . 15035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15035 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 3 3 SER HA H 1 4.52 0.015 . 5 . . . . -17 SER HA . 15035 1 2 . 1 1 3 3 SER HB2 H 1 3.86 0.015 . 2 . . . . -17 SER HB2 . 15035 1 3 . 1 1 3 3 SER HB3 H 1 3.81 0.015 . 2 . . . . -17 SER HB3 . 15035 1 4 . 1 1 4 4 SER HA H 1 4.37 0.015 . 5 . . . . -16 SER HA . 15035 1 5 . 1 1 4 4 SER HB2 H 1 3.79 0.015 . 5 . . . . -16 SER HB2 . 15035 1 6 . 1 1 4 4 SER HB3 H 1 3.79 0.015 . 5 . . . . -16 SER HB3 . 15035 1 7 . 1 1 5 5 HIS HB2 H 1 3.15 0.015 . 2 . . . . -15 HIS HB2 . 15035 1 8 . 1 1 5 5 HIS HB3 H 1 3.07 0.015 . 2 . . . . -15 HIS HB3 . 15035 1 9 . 1 1 5 5 HIS HD2 H 1 7.13 0.015 . 5 . . . . -15 HIS HD2 . 15035 1 10 . 1 1 6 6 HIS HB2 H 1 3.13 0.015 . 2 . . . . -14 HIS HB2 . 15035 1 11 . 1 1 6 6 HIS HB3 H 1 3.04 0.015 . 2 . . . . -14 HIS HB3 . 15035 1 12 . 1 1 6 6 HIS HD2 H 1 7.10 0.015 . 5 . . . . -14 HIS HD2 . 15035 1 13 . 1 1 7 7 HIS HB2 H 1 3.12 0.015 . 2 . . . . -13 HIS HB2 . 15035 1 14 . 1 1 7 7 HIS HB3 H 1 3.02 0.015 . 2 . . . . -13 HIS HB3 . 15035 1 15 . 1 1 7 7 HIS HD2 H 1 7.09 0.015 . 5 . . . . -13 HIS HD2 . 15035 1 16 . 1 1 8 8 HIS HB2 H 1 3.10 0.015 . 2 . . . . -12 HIS HB2 . 15035 1 17 . 1 1 8 8 HIS HB3 H 1 3.00 0.015 . 2 . . . . -12 HIS HB3 . 15035 1 18 . 1 1 8 8 HIS HD2 H 1 7.06 0.015 . 5 . . . . -12 HIS HD2 . 15035 1 19 . 1 1 9 9 HIS HB2 H 1 3.06 0.015 . 2 . . . . -11 HIS HB2 . 15035 1 20 . 1 1 9 9 HIS HB3 H 1 2.96 0.015 . 2 . . . . -11 HIS HB3 . 15035 1 21 . 1 1 9 9 HIS HD2 H 1 7.02 0.015 . 5 . . . . -11 HIS HD2 . 15035 1 22 . 1 1 10 10 HIS HA H 1 4.67 0.015 . 5 . . . . -10 HIS HA . 15035 1 23 . 1 1 10 10 HIS HB2 H 1 3.21 0.015 . 2 . . . . -10 HIS HB2 . 15035 1 24 . 1 1 10 10 HIS HB3 H 1 3.13 0.015 . 2 . . . . -10 HIS HB3 . 15035 1 25 . 1 1 10 10 HIS HD2 H 1 7.18 0.015 . 5 . . . . -10 HIS HD2 . 15035 1 26 . 1 1 11 11 SER H H 1 8.21 0.015 . 1 . . . . -9 SER HN . 15035 1 27 . 1 1 11 11 SER HA H 1 4.39 0.015 . 1 . . . . -9 SER HA . 15035 1 28 . 1 1 11 11 SER HB2 H 1 3.86 0.015 . 1 . . . . -9 SER HB2 . 15035 1 29 . 1 1 11 11 SER HB3 H 1 3.86 0.015 . 1 . . . . -9 SER HB3 . 15035 1 30 . 1 1 11 11 SER N N 15 115.5 0.1 . 1 . . . . -9 SER N . 15035 1 31 . 1 1 12 12 SER H H 1 8.31 0.015 . 1 . . . . -8 SER HN . 15035 1 32 . 1 1 12 12 SER HA H 1 4.46 0.015 . 1 . . . . -8 SER HA . 15035 1 33 . 1 1 12 12 SER HB2 H 1 3.85 0.015 . 1 . . . . -8 SER HB2 . 15035 1 34 . 1 1 12 12 SER HB3 H 1 3.85 0.015 . 1 . . . . -8 SER HB3 . 15035 1 35 . 1 1 13 13 GLY H H 1 8.41 0.015 . 1 . . . . -7 GLY HN . 15035 1 36 . 1 1 13 13 GLY HA2 H 1 3.95 0.015 . 1 . . . . -7 GLY HA1 . 15035 1 37 . 1 1 13 13 GLY HA3 H 1 3.95 0.015 . 1 . . . . -7 GLY HA2 . 15035 1 38 . 1 1 13 13 GLY N N 15 110.7 0.1 . 1 . . . . -7 GLY N . 15035 1 39 . 1 1 14 14 LEU H H 1 8.09 0.015 . 1 . . . . -6 LEU HN . 15035 1 40 . 1 1 14 14 LEU HA H 1 4.34 0.015 . 1 . . . . -6 LEU HA . 15035 1 41 . 1 1 14 14 LEU HB2 H 1 1.59 0.015 . 2 . . . . -6 LEU HB2 . 15035 1 42 . 1 1 14 14 LEU HB3 H 1 1.53 0.015 . 2 . . . . -6 LEU HB3 . 15035 1 43 . 1 1 14 14 LEU HG H 1 1.53 0.015 . 1 . . . . -6 LEU HG . 15035 1 44 . 1 1 14 14 LEU HD11 H 1 0.88 0.015 . 2 . . . . -6 LEU HD1 . 15035 1 45 . 1 1 14 14 LEU HD12 H 1 0.88 0.015 . 2 . . . . -6 LEU HD1 . 15035 1 46 . 1 1 14 14 LEU HD13 H 1 0.88 0.015 . 2 . . . . -6 LEU HD1 . 15035 1 47 . 1 1 14 14 LEU HD21 H 1 0.83 0.015 . 2 . . . . -6 LEU HD2 . 15035 1 48 . 1 1 14 14 LEU HD22 H 1 0.83 0.015 . 2 . . . . -6 LEU HD2 . 15035 1 49 . 1 1 14 14 LEU HD23 H 1 0.83 0.015 . 2 . . . . -6 LEU HD2 . 15035 1 50 . 1 1 14 14 LEU N N 15 121.7 0.1 . 1 . . . . -6 LEU N . 15035 1 51 . 1 1 15 15 VAL H H 1 8.13 0.015 . 1 . . . . -5 VAL HN . 15035 1 52 . 1 1 15 15 VAL HA H 1 4.39 0.015 . 1 . . . . -5 VAL HA . 15035 1 53 . 1 1 15 15 VAL HB H 1 2.04 0.015 . 1 . . . . -5 VAL HB . 15035 1 54 . 1 1 15 15 VAL HG11 H 1 0.93 0.015 . 2 . . . . -5 VAL HG1 . 15035 1 55 . 1 1 15 15 VAL HG12 H 1 0.93 0.015 . 2 . . . . -5 VAL HG1 . 15035 1 56 . 1 1 15 15 VAL HG13 H 1 0.93 0.015 . 2 . . . . -5 VAL HG1 . 15035 1 57 . 1 1 15 15 VAL HG21 H 1 0.91 0.015 . 2 . . . . -5 VAL HG2 . 15035 1 58 . 1 1 15 15 VAL HG22 H 1 0.91 0.015 . 2 . . . . -5 VAL HG2 . 15035 1 59 . 1 1 15 15 VAL HG23 H 1 0.91 0.015 . 2 . . . . -5 VAL HG2 . 15035 1 60 . 1 1 15 15 VAL N N 15 122.8 0.1 . 1 . . . . -5 VAL N . 15035 1 61 . 1 1 16 16 PRO HD2 H 1 3.80 0.015 . 2 . . . . -4 PRO HD2 . 15035 1 62 . 1 1 16 16 PRO HD3 H 1 3.64 0.015 . 2 . . . . -4 PRO HD3 . 15035 1 63 . 1 1 17 17 ARG H H 1 7.78 0.015 . 1 . . . . -3 ARG HN . 15035 1 64 . 1 1 17 17 ARG HA H 1 4.29 0.015 . 1 . . . . -3 ARG HA . 15035 1 65 . 1 1 17 17 ARG N N 15 119.0 0.1 . 1 . . . . -3 ARG N . 15035 1 66 . 1 1 18 18 GLY H H 1 8.54 0.015 . 1 . . . . -2 GLY HN . 15035 1 67 . 1 1 18 18 GLY HA2 H 1 3.98 0.015 . 1 . . . . -2 GLY HA1 . 15035 1 68 . 1 1 18 18 GLY HA3 H 1 3.98 0.015 . 1 . . . . -2 GLY HA2 . 15035 1 69 . 1 1 18 18 GLY N N 15 110.5 0.1 . 1 . . . . -2 GLY N . 15035 1 70 . 1 1 19 19 SER H H 1 8.53 0.015 . 1 . . . . -1 SER HN . 15035 1 71 . 1 1 19 19 SER HA H 1 4.47 0.015 . 1 . . . . -1 SER HA . 15035 1 72 . 1 1 19 19 SER HB2 H 1 3.91 0.015 . 2 . . . . -1 SER HB2 . 15035 1 73 . 1 1 19 19 SER HB3 H 1 3.88 0.015 . 2 . . . . -1 SER HB3 . 15035 1 74 . 1 1 19 19 SER N N 15 118.4 0.1 . 1 . . . . -1 SER N . 15035 1 75 . 1 1 20 20 HIS H H 1 8.32 0.015 . 1 . . . . 0 HIS HN . 15035 1 76 . 1 1 20 20 HIS N N 15 114.5 0.1 . 1 . . . . 0 HIS N . 15035 1 77 . 1 1 21 21 MET H H 1 8.59 0.015 . 1 . . . . 1 MET HN . 15035 1 78 . 1 1 21 21 MET N N 15 120.6 0.1 . 1 . . . . 1 MET N . 15035 1 79 . 1 1 22 22 THR H H 1 8.14 0.015 . 1 . . . . 2 THR HN . 15035 1 80 . 1 1 22 22 THR HB H 1 4.12 0.015 . 1 . . . . 2 THR HB . 15035 1 81 . 1 1 22 22 THR HG21 H 1 1.09 0.015 . 1 . . . . 2 THR HG2 . 15035 1 82 . 1 1 22 22 THR HG22 H 1 1.09 0.015 . 1 . . . . 2 THR HG2 . 15035 1 83 . 1 1 22 22 THR HG23 H 1 1.09 0.015 . 1 . . . . 2 THR HG2 . 15035 1 84 . 1 1 22 22 THR N N 15 114.4 0.1 . 1 . . . . 2 THR N . 15035 1 85 . 1 1 23 23 LEU H H 1 8.99 0.015 . 1 . . . . 3 LEU HN . 15035 1 86 . 1 1 23 23 LEU HG H 1 1.61 0.015 . 1 . . . . 3 LEU HG . 15035 1 87 . 1 1 23 23 LEU HD11 H 1 0.81 0.015 . 2 . . . . 3 LEU HD1 . 15035 1 88 . 1 1 23 23 LEU HD12 H 1 0.81 0.015 . 2 . . . . 3 LEU HD1 . 15035 1 89 . 1 1 23 23 LEU HD13 H 1 0.81 0.015 . 2 . . . . 3 LEU HD1 . 15035 1 90 . 1 1 23 23 LEU HD21 H 1 0.85 0.015 . 2 . . . . 3 LEU HD2 . 15035 1 91 . 1 1 23 23 LEU HD22 H 1 0.85 0.015 . 2 . . . . 3 LEU HD2 . 15035 1 92 . 1 1 23 23 LEU HD23 H 1 0.85 0.015 . 2 . . . . 3 LEU HD2 . 15035 1 93 . 1 1 23 23 LEU N N 15 122.5 0.1 . 1 . . . . 3 LEU N . 15035 1 94 . 1 1 24 24 ARG H H 1 8.21 0.015 . 1 . . . . 4 ARG HN . 15035 1 95 . 1 1 24 24 ARG N N 15 119.5 0.1 . 1 . . . . 4 ARG N . 15035 1 96 . 1 1 25 25 ILE H H 1 9.19 0.015 . 1 . . . . 5 ILE HN . 15035 1 97 . 1 1 25 25 ILE HA H 1 3.69 0.015 . 1 . . . . 5 ILE HA . 15035 1 98 . 1 1 25 25 ILE HB H 1 2.03 0.015 . 1 . . . . 5 ILE HB . 15035 1 99 . 1 1 25 25 ILE HG12 H 1 1.14 0.015 . 2 . . . . 5 ILE HG12 . 15035 1 100 . 1 1 25 25 ILE HG13 H 1 1.22 0.015 . 2 . . . . 5 ILE HG13 . 15035 1 101 . 1 1 25 25 ILE HG21 H 1 0.98 0.015 . 1 . . . . 5 ILE HG2 . 15035 1 102 . 1 1 25 25 ILE HG22 H 1 0.98 0.015 . 1 . . . . 5 ILE HG2 . 15035 1 103 . 1 1 25 25 ILE HG23 H 1 0.98 0.015 . 1 . . . . 5 ILE HG2 . 15035 1 104 . 1 1 25 25 ILE HD11 H 1 0.62 0.015 . 1 . . . . 5 ILE HD1 . 15035 1 105 . 1 1 25 25 ILE HD12 H 1 0.62 0.015 . 1 . . . . 5 ILE HD1 . 15035 1 106 . 1 1 25 25 ILE HD13 H 1 0.62 0.015 . 1 . . . . 5 ILE HD1 . 15035 1 107 . 1 1 25 25 ILE N N 15 122.8 0.1 . 1 . . . . 5 ILE N . 15035 1 108 . 1 1 26 26 ARG H H 1 8.31 0.015 . 1 . . . . 6 ARG HN . 15035 1 109 . 1 1 26 26 ARG N N 15 120.9 0.1 . 1 . . . . 6 ARG N . 15035 1 110 . 1 1 27 27 THR H H 1 7.24 0.015 . 1 . . . . 7 THR HN . 15035 1 111 . 1 1 27 27 THR HA H 1 3.98 0.015 . 1 . . . . 7 THR HA . 15035 1 112 . 1 1 27 27 THR HB H 1 4.31 0.015 . 1 . . . . 7 THR HB . 15035 1 113 . 1 1 27 27 THR HG21 H 1 1.35 0.015 . 1 . . . . 7 THR HG2 . 15035 1 114 . 1 1 27 27 THR HG22 H 1 1.35 0.015 . 1 . . . . 7 THR HG2 . 15035 1 115 . 1 1 27 27 THR HG23 H 1 1.35 0.015 . 1 . . . . 7 THR HG2 . 15035 1 116 . 1 1 27 27 THR N N 15 116.6 0.1 . 1 . . . . 7 THR N . 15035 1 117 . 1 1 28 28 ILE H H 1 7.68 0.015 . 1 . . . . 8 ILE HN . 15035 1 118 . 1 1 28 28 ILE HA H 1 3.50 0.015 . 1 . . . . 8 ILE HA . 15035 1 119 . 1 1 28 28 ILE HB H 1 1.74 0.015 . 1 . . . . 8 ILE HB . 15035 1 120 . 1 1 28 28 ILE HG12 H 1 0.73 0.015 . 2 . . . . 8 ILE HG12 . 15035 1 121 . 1 1 28 28 ILE HG13 H 1 1.50 0.015 . 2 . . . . 8 ILE HG13 . 15035 1 122 . 1 1 28 28 ILE HG21 H 1 0.67 0.015 . 1 . . . . 8 ILE HG2 . 15035 1 123 . 1 1 28 28 ILE HG22 H 1 0.67 0.015 . 1 . . . . 8 ILE HG2 . 15035 1 124 . 1 1 28 28 ILE HG23 H 1 0.67 0.015 . 1 . . . . 8 ILE HG2 . 15035 1 125 . 1 1 28 28 ILE HD11 H 1 0.18 0.015 . 1 . . . . 8 ILE HD1 . 15035 1 126 . 1 1 28 28 ILE HD12 H 1 0.18 0.015 . 1 . . . . 8 ILE HD1 . 15035 1 127 . 1 1 28 28 ILE HD13 H 1 0.18 0.015 . 1 . . . . 8 ILE HD1 . 15035 1 128 . 1 1 28 28 ILE N N 15 120.8 0.1 . 1 . . . . 8 ILE N . 15035 1 129 . 1 1 29 29 ALA H H 1 8.27 0.015 . 1 . . . . 9 ALA HN . 15035 1 130 . 1 1 29 29 ALA HA H 1 4.18 0.015 . 1 . . . . 9 ALA HA . 15035 1 131 . 1 1 29 29 ALA HB1 H 1 1.46 0.015 . 1 . . . . 9 ALA HB . 15035 1 132 . 1 1 29 29 ALA HB2 H 1 1.46 0.015 . 1 . . . . 9 ALA HB . 15035 1 133 . 1 1 29 29 ALA HB3 H 1 1.46 0.015 . 1 . . . . 9 ALA HB . 15035 1 134 . 1 1 29 29 ALA N N 15 125.7 0.1 . 1 . . . . 9 ALA N . 15035 1 135 . 1 1 30 30 ARG H H 1 7.68 0.015 . 1 . . . . 10 ARG HN . 15035 1 136 . 1 1 30 30 ARG N N 15 118.6 0.1 . 1 . . . . 10 ARG N . 15035 1 137 . 1 1 31 31 MET H H 1 8.30 0.015 . 1 . . . . 11 MET HN . 15035 1 138 . 1 1 31 31 MET HA H 1 4.18 0.015 . 1 . . . . 11 MET HA . 15035 1 139 . 1 1 31 31 MET HB2 H 1 2.13 0.015 . 2 . . . . 11 MET HB2 . 15035 1 140 . 1 1 31 31 MET HB3 H 1 2.54 0.015 . 2 . . . . 11 MET HB3 . 15035 1 141 . 1 1 31 31 MET HG2 H 1 2.78 0.015 . 2 . . . . 11 MET HG2 . 15035 1 142 . 1 1 31 31 MET HG3 H 1 2.13 0.015 . 2 . . . . 11 MET HG3 . 15035 1 143 . 1 1 31 31 MET N N 15 115.8 0.1 . 1 . . . . 11 MET N . 15035 1 144 . 1 1 32 32 THR H H 1 7.78 0.015 . 1 . . . . 12 THR HN . 15035 1 145 . 1 1 32 32 THR HA H 1 4.39 0.015 . 1 . . . . 12 THR HA . 15035 1 146 . 1 1 32 32 THR HB H 1 4.10 0.015 . 1 . . . . 12 THR HB . 15035 1 147 . 1 1 32 32 THR HG21 H 1 1.22 0.015 . 1 . . . . 12 THR HG2 . 15035 1 148 . 1 1 32 32 THR HG22 H 1 1.22 0.015 . 1 . . . . 12 THR HG2 . 15035 1 149 . 1 1 32 32 THR HG23 H 1 1.22 0.015 . 1 . . . . 12 THR HG2 . 15035 1 150 . 1 1 32 32 THR N N 15 105.4 0.1 . 1 . . . . 12 THR N . 15035 1 151 . 1 1 33 33 GLY H H 1 7.94 0.015 . 1 . . . . 13 GLY HN . 15035 1 152 . 1 1 33 33 GLY HA2 H 1 3.74 0.015 . 2 . . . . 13 GLY HA1 . 15035 1 153 . 1 1 33 33 GLY HA3 H 1 4.12 0.015 . 2 . . . . 13 GLY HA2 . 15035 1 154 . 1 1 33 33 GLY N N 15 110.9 0.1 . 1 . . . . 13 GLY N . 15035 1 155 . 1 1 34 34 ILE H H 1 7.51 0.015 . 1 . . . . 14 ILE HN . 15035 1 156 . 1 1 34 34 ILE HA H 1 4.04 0.015 . 1 . . . . 14 ILE HA . 15035 1 157 . 1 1 34 34 ILE HB H 1 1.46 0.015 . 1 . . . . 14 ILE HB . 15035 1 158 . 1 1 34 34 ILE HG12 H 1 1.08 0.015 . 2 . . . . 14 ILE HG12 . 15035 1 159 . 1 1 34 34 ILE HG13 H 1 1.23 0.015 . 2 . . . . 14 ILE HG13 . 15035 1 160 . 1 1 34 34 ILE HG21 H 1 0.45 0.015 . 1 . . . . 14 ILE HG2 . 15035 1 161 . 1 1 34 34 ILE HG22 H 1 0.45 0.015 . 1 . . . . 14 ILE HG2 . 15035 1 162 . 1 1 34 34 ILE HG23 H 1 0.45 0.015 . 1 . . . . 14 ILE HG2 . 15035 1 163 . 1 1 34 34 ILE HD11 H 1 0.76 0.015 . 1 . . . . 14 ILE HD1 . 15035 1 164 . 1 1 34 34 ILE HD12 H 1 0.76 0.015 . 1 . . . . 14 ILE HD1 . 15035 1 165 . 1 1 34 34 ILE HD13 H 1 0.76 0.015 . 1 . . . . 14 ILE HD1 . 15035 1 166 . 1 1 34 34 ILE N N 15 122.9 0.1 . 1 . . . . 14 ILE N . 15035 1 167 . 1 1 35 35 ARG H H 1 8.03 0.015 . 1 . . . . 15 ARG HN . 15035 1 168 . 1 1 35 35 ARG HA H 1 3.98 0.015 . 1 . . . . 15 ARG HA . 15035 1 169 . 1 1 35 35 ARG N N 15 123.2 0.1 . 1 . . . . 15 ARG N . 15035 1 170 . 1 1 36 36 GLU H H 1 9.13 0.015 . 1 . . . . 16 GLU HN . 15035 1 171 . 1 1 36 36 GLU HA H 1 3.50 0.015 . 1 . . . . 16 GLU HA . 15035 1 172 . 1 1 36 36 GLU HB2 H 1 1.95 0.015 . 1 . . . . 16 GLU HB2 . 15035 1 173 . 1 1 36 36 GLU HB3 H 1 1.95 0.015 . 1 . . . . 16 GLU HB3 . 15035 1 174 . 1 1 36 36 GLU HG2 H 1 2.08 0.015 . 1 . . . . 16 GLU HG2 . 15035 1 175 . 1 1 36 36 GLU HG3 H 1 2.08 0.015 . 1 . . . . 16 GLU HG3 . 15035 1 176 . 1 1 36 36 GLU N N 15 124.7 0.1 . 1 . . . . 16 GLU N . 15035 1 177 . 1 1 37 37 ALA H H 1 8.69 0.015 . 1 . . . . 17 ALA HN . 15035 1 178 . 1 1 37 37 ALA HA H 1 3.94 0.015 . 1 . . . . 17 ALA HA . 15035 1 179 . 1 1 37 37 ALA HB1 H 1 1.35 0.015 . 1 . . . . 17 ALA HB . 15035 1 180 . 1 1 37 37 ALA HB2 H 1 1.35 0.015 . 1 . . . . 17 ALA HB . 15035 1 181 . 1 1 37 37 ALA HB3 H 1 1.35 0.015 . 1 . . . . 17 ALA HB . 15035 1 182 . 1 1 37 37 ALA N N 15 117.7 0.1 . 1 . . . . 17 ALA N . 15035 1 183 . 1 1 38 38 THR H H 1 6.98 0.015 . 1 . . . . 18 THR HN . 15035 1 184 . 1 1 38 38 THR HA H 1 3.73 0.015 . 1 . . . . 18 THR HA . 15035 1 185 . 1 1 38 38 THR HB H 1 3.92 0.015 . 1 . . . . 18 THR HB . 15035 1 186 . 1 1 38 38 THR HG21 H 1 0.44 0.015 . 1 . . . . 18 THR HG2 . 15035 1 187 . 1 1 38 38 THR HG22 H 1 0.44 0.015 . 1 . . . . 18 THR HG2 . 15035 1 188 . 1 1 38 38 THR HG23 H 1 0.44 0.015 . 1 . . . . 18 THR HG2 . 15035 1 189 . 1 1 38 38 THR N N 15 116.6 0.1 . 1 . . . . 18 THR N . 15035 1 190 . 1 1 39 39 LEU H H 1 7.29 0.015 . 1 . . . . 19 LEU HN . 15035 1 191 . 1 1 39 39 LEU HA H 1 3.45 0.015 . 1 . . . . 19 LEU HA . 15035 1 192 . 1 1 39 39 LEU HB2 H 1 1.23 0.015 . 2 . . . . 19 LEU HB2 . 15035 1 193 . 1 1 39 39 LEU HB3 H 1 1.04 0.015 . 2 . . . . 19 LEU HB3 . 15035 1 194 . 1 1 39 39 LEU HG H 1 1.23 0.015 . 1 . . . . 19 LEU HG . 15035 1 195 . 1 1 39 39 LEU HD11 H 1 0.53 0.015 . 2 . . . . 19 LEU HD1 . 15035 1 196 . 1 1 39 39 LEU HD12 H 1 0.53 0.015 . 2 . . . . 19 LEU HD1 . 15035 1 197 . 1 1 39 39 LEU HD13 H 1 0.53 0.015 . 2 . . . . 19 LEU HD1 . 15035 1 198 . 1 1 39 39 LEU HD21 H 1 0.44 0.015 . 2 . . . . 19 LEU HD2 . 15035 1 199 . 1 1 39 39 LEU HD22 H 1 0.44 0.015 . 2 . . . . 19 LEU HD2 . 15035 1 200 . 1 1 39 39 LEU HD23 H 1 0.44 0.015 . 2 . . . . 19 LEU HD2 . 15035 1 201 . 1 1 39 39 LEU N N 15 119.7 0.1 . 1 . . . . 19 LEU N . 15035 1 202 . 1 1 40 40 ARG H H 1 8.27 0.015 . 1 . . . . 20 ARG HN . 15035 1 203 . 1 1 40 40 ARG HA H 1 4.08 0.015 . 1 . . . . 20 ARG HA . 15035 1 204 . 1 1 40 40 ARG HB2 H 1 1.79 0.015 . 1 . . . . 20 ARG HB2 . 15035 1 205 . 1 1 40 40 ARG HB3 H 1 1.79 0.015 . 1 . . . . 20 ARG HB3 . 15035 1 206 . 1 1 40 40 ARG N N 15 115.9 0.1 . 1 . . . . 20 ARG N . 15035 1 207 . 1 1 41 41 ALA H H 1 7.57 0.015 . 1 . . . . 21 ALA HN . 15035 1 208 . 1 1 41 41 ALA HA H 1 4.25 0.015 . 1 . . . . 21 ALA HA . 15035 1 209 . 1 1 41 41 ALA HB1 H 1 1.67 0.015 . 1 . . . . 21 ALA HB . 15035 1 210 . 1 1 41 41 ALA HB2 H 1 1.67 0.015 . 1 . . . . 21 ALA HB . 15035 1 211 . 1 1 41 41 ALA HB3 H 1 1.67 0.015 . 1 . . . . 21 ALA HB . 15035 1 212 . 1 1 41 41 ALA N N 15 123.9 0.1 . 1 . . . . 21 ALA N . 15035 1 213 . 1 1 42 42 TRP H H 1 8.98 0.015 . 1 . . . . 22 TRP HN . 15035 1 214 . 1 1 42 42 TRP HA H 1 4.90 0.015 . 1 . . . . 22 TRP HA . 15035 1 215 . 1 1 42 42 TRP HB2 H 1 3.92 0.015 . 2 . . . . 22 TRP HB2 . 15035 1 216 . 1 1 42 42 TRP HB3 H 1 3.84 0.015 . 2 . . . . 22 TRP HB3 . 15035 1 217 . 1 1 42 42 TRP HD1 H 1 7.11 0.015 . 1 . . . . 22 TRP HD1 . 15035 1 218 . 1 1 42 42 TRP HE1 H 1 10.06 0.015 . 1 . . . . 22 TRP HE1 . 15035 1 219 . 1 1 42 42 TRP HE3 H 1 7.47 0.015 . 1 . . . . 22 TRP HE3 . 15035 1 220 . 1 1 42 42 TRP HZ2 H 1 7.27 0.015 . 1 . . . . 22 TRP HZ2 . 15035 1 221 . 1 1 42 42 TRP HZ3 H 1 6.90 0.015 . 1 . . . . 22 TRP HZ3 . 15035 1 222 . 1 1 42 42 TRP HH2 H 1 6.87 0.015 . 1 . . . . 22 TRP HH2 . 15035 1 223 . 1 1 42 42 TRP N N 15 121.9 0.1 . 1 . . . . 22 TRP N . 15035 1 224 . 1 1 42 42 TRP NE1 N 15 127.9 0.1 . 1 . . . . 22 TRP NE1 . 15035 1 225 . 1 1 43 43 GLU H H 1 8.60 0.015 . 1 . . . . 23 GLU HN . 15035 1 226 . 1 1 43 43 GLU HA H 1 4.08 0.015 . 1 . . . . 23 GLU HA . 15035 1 227 . 1 1 43 43 GLU HB2 H 1 2.24 0.015 . 2 . . . . 23 GLU HB2 . 15035 1 228 . 1 1 43 43 GLU HB3 H 1 2.11 0.015 . 2 . . . . 23 GLU HB3 . 15035 1 229 . 1 1 43 43 GLU HG2 H 1 2.62 0.015 . 1 . . . . 23 GLU HG2 . 15035 1 230 . 1 1 43 43 GLU HG3 H 1 2.62 0.015 . 1 . . . . 23 GLU HG3 . 15035 1 231 . 1 1 43 43 GLU N N 15 123.0 0.1 . 1 . . . . 23 GLU N . 15035 1 232 . 1 1 44 44 ARG H H 1 7.78 0.015 . 1 . . . . 24 ARG HN . 15035 1 233 . 1 1 44 44 ARG HA H 1 4.11 0.015 . 1 . . . . 24 ARG HA . 15035 1 234 . 1 1 44 44 ARG N N 15 118.4 0.1 . 1 . . . . 24 ARG N . 15035 1 235 . 1 1 45 45 ARG H H 1 8.30 0.015 . 1 . . . . 25 ARG HN . 15035 1 236 . 1 1 45 45 ARG N N 15 117.0 0.1 . 1 . . . . 25 ARG N . 15035 1 237 . 1 1 46 46 TYR HA H 1 4.91 0.015 . 1 . . . . 26 TYR HA . 15035 1 238 . 1 1 46 46 TYR HB2 H 1 2.82 0.015 . 2 . . . . 26 TYR HB2 . 15035 1 239 . 1 1 46 46 TYR HB3 H 1 3.32 0.015 . 2 . . . . 26 TYR HB3 . 15035 1 240 . 1 1 46 46 TYR HD1 H 1 7.07 0.015 . 1 . . . . 26 TYR HD1 . 15035 1 241 . 1 1 46 46 TYR HD2 H 1 7.07 0.015 . 1 . . . . 26 TYR HD2 . 15035 1 242 . 1 1 46 46 TYR HE1 H 1 6.66 0.015 . 1 . . . . 26 TYR HE1 . 15035 1 243 . 1 1 46 46 TYR HE2 H 1 6.66 0.015 . 1 . . . . 26 TYR HE2 . 15035 1 244 . 1 1 47 47 GLY H H 1 7.86 0.015 . 1 . . . . 27 GLY HN . 15035 1 245 . 1 1 47 47 GLY HA2 H 1 3.84 0.015 . 2 . . . . 27 GLY HA1 . 15035 1 246 . 1 1 47 47 GLY HA3 H 1 4.15 0.015 . 2 . . . . 27 GLY HA2 . 15035 1 247 . 1 1 47 47 GLY N N 15 110.3 0.1 . 1 . . . . 27 GLY N . 15035 1 248 . 1 1 48 48 PHE H H 1 7.23 0.015 . 1 . . . . 28 PHE HN . 15035 1 249 . 1 1 48 48 PHE HA H 1 4.60 0.015 . 1 . . . . 28 PHE HA . 15035 1 250 . 1 1 48 48 PHE HB2 H 1 2.60 0.015 . 2 . . . . 28 PHE HB2 . 15035 1 251 . 1 1 48 48 PHE HB3 H 1 2.77 0.015 . 2 . . . . 28 PHE HB3 . 15035 1 252 . 1 1 48 48 PHE HD1 H 1 7.14 0.015 . 1 . . . . 28 PHE HD1 . 15035 1 253 . 1 1 48 48 PHE HD2 H 1 7.14 0.015 . 1 . . . . 28 PHE HD2 . 15035 1 254 . 1 1 48 48 PHE HE1 H 1 7.23 0.015 . 1 . . . . 28 PHE HE1 . 15035 1 255 . 1 1 48 48 PHE HE2 H 1 7.23 0.015 . 1 . . . . 28 PHE HE2 . 15035 1 256 . 1 1 48 48 PHE HZ H 1 6.90 0.015 . 1 . . . . 28 PHE HZ . 15035 1 257 . 1 1 48 48 PHE N N 15 120.3 0.1 . 1 . . . . 28 PHE N . 15035 1 258 . 1 1 52 52 LEU H H 1 8.73 0.015 . 1 . . . . 32 LEU HN . 15035 1 259 . 1 1 52 52 LEU HA H 1 4.26 0.015 . 1 . . . . 32 LEU HA . 15035 1 260 . 1 1 52 52 LEU HB2 H 1 1.46 0.015 . 2 . . . . 32 LEU HB2 . 15035 1 261 . 1 1 52 52 LEU HB3 H 1 1.66 0.015 . 2 . . . . 32 LEU HB3 . 15035 1 262 . 1 1 52 52 LEU HG H 1 1.67 0.015 . 1 . . . . 32 LEU HG . 15035 1 263 . 1 1 52 52 LEU HD11 H 1 0.87 0.015 . 2 . . . . 32 LEU HD1 . 15035 1 264 . 1 1 52 52 LEU HD12 H 1 0.87 0.015 . 2 . . . . 32 LEU HD1 . 15035 1 265 . 1 1 52 52 LEU HD13 H 1 0.87 0.015 . 2 . . . . 32 LEU HD1 . 15035 1 266 . 1 1 52 52 LEU HD21 H 1 0.82 0.015 . 2 . . . . 32 LEU HD2 . 15035 1 267 . 1 1 52 52 LEU HD22 H 1 0.82 0.015 . 2 . . . . 32 LEU HD2 . 15035 1 268 . 1 1 52 52 LEU HD23 H 1 0.82 0.015 . 2 . . . . 32 LEU HD2 . 15035 1 269 . 1 1 52 52 LEU N N 15 122.5 0.1 . 1 . . . . 32 LEU N . 15035 1 270 . 1 1 53 53 ARG H H 1 8.10 0.015 . 1 . . . . 33 ARG HN . 15035 1 271 . 1 1 53 53 ARG HA H 1 4.34 0.015 . 1 . . . . 33 ARG HA . 15035 1 272 . 1 1 53 53 ARG HB2 H 1 1.73 0.015 . 1 . . . . 33 ARG HB2 . 15035 1 273 . 1 1 53 53 ARG HB3 H 1 1.73 0.015 . 1 . . . . 33 ARG HB3 . 15035 1 274 . 1 1 53 53 ARG HG2 H 1 1.50 0.015 . 1 . . . . 33 ARG HG2 . 15035 1 275 . 1 1 53 53 ARG HG3 H 1 1.50 0.015 . 1 . . . . 33 ARG HG3 . 15035 1 276 . 1 1 53 53 ARG N N 15 119.5 0.1 . 1 . . . . 33 ARG N . 15035 1 277 . 1 1 54 54 SER H H 1 8.40 0.015 . 1 . . . . 34 SER HN . 15035 1 278 . 1 1 54 54 SER HA H 1 4.58 0.015 . 1 . . . . 34 SER HA . 15035 1 279 . 1 1 54 54 SER HB2 H 1 3.77 0.015 . 1 . . . . 34 SER HB2 . 15035 1 280 . 1 1 54 54 SER HB3 H 1 3.77 0.015 . 1 . . . . 34 SER HB3 . 15035 1 281 . 1 1 54 54 SER N N 15 117.3 0.1 . 1 . . . . 34 SER N . 15035 1 282 . 1 1 55 55 GLU H H 1 8.51 0.015 . 1 . . . . 35 GLU HN . 15035 1 283 . 1 1 55 55 GLU HA H 1 4.39 0.015 . 1 . . . . 35 GLU HA . 15035 1 284 . 1 1 55 55 GLU HB2 H 1 1.85 0.015 . 2 . . . . 35 GLU HB2 . 15035 1 285 . 1 1 55 55 GLU HB3 H 1 2.03 0.015 . 2 . . . . 35 GLU HB3 . 15035 1 286 . 1 1 55 55 GLU HG2 H 1 2.29 0.015 . 2 . . . . 35 GLU HG2 . 15035 1 287 . 1 1 55 55 GLU HG3 H 1 2.18 0.015 . 2 . . . . 35 GLU HG3 . 15035 1 288 . 1 1 55 55 GLU N N 15 123.2 0.1 . 1 . . . . 35 GLU N . 15035 1 289 . 1 1 56 56 GLY H H 1 8.46 0.015 . 1 . . . . 36 GLY HN . 15035 1 290 . 1 1 56 56 GLY HA2 H 1 3.80 0.015 . 2 . . . . 36 GLY HA1 . 15035 1 291 . 1 1 56 56 GLY HA3 H 1 3.99 0.015 . 2 . . . . 36 GLY HA2 . 15035 1 292 . 1 1 56 56 GLY N N 15 109.9 0.1 . 1 . . . . 36 GLY N . 15035 1 293 . 1 1 57 57 ASN H H 1 8.19 0.015 . 1 . . . . 37 ASN HN . 15035 1 294 . 1 1 57 57 ASN HA H 1 4.66 0.015 . 1 . . . . 37 ASN HA . 15035 1 295 . 1 1 57 57 ASN HB2 H 1 2.59 0.015 . 1 . . . . 37 ASN HB2 . 15035 1 296 . 1 1 57 57 ASN HB3 H 1 2.59 0.015 . 1 . . . . 37 ASN HB3 . 15035 1 297 . 1 1 57 57 ASN HD21 H 1 7.49 0.015 . 2 . . . . 37 ASN HD21 . 15035 1 298 . 1 1 57 57 ASN HD22 H 1 6.86 0.015 . 2 . . . . 37 ASN HD22 . 15035 1 299 . 1 1 57 57 ASN N N 15 118.5 0.1 . 1 . . . . 37 ASN N . 15035 1 300 . 1 1 57 57 ASN ND2 N 15 113.2 0.1 . 1 . . . . 37 ASN ND2 . 15035 1 301 . 1 1 58 58 ASN H H 1 8.43 0.015 . 1 . . . . 38 ASN HN . 15035 1 302 . 1 1 58 58 ASN HA H 1 4.61 0.015 . 1 . . . . 38 ASN HA . 15035 1 303 . 1 1 58 58 ASN HB2 H 1 2.69 0.015 . 2 . . . . 38 ASN HB2 . 15035 1 304 . 1 1 58 58 ASN HB3 H 1 2.78 0.015 . 2 . . . . 38 ASN HB3 . 15035 1 305 . 1 1 58 58 ASN HD21 H 1 6.88 0.015 . 2 . . . . 38 ASN HD21 . 15035 1 306 . 1 1 58 58 ASN HD22 H 1 7.52 0.015 . 2 . . . . 38 ASN HD22 . 15035 1 307 . 1 1 58 58 ASN N N 15 117.5 0.1 . 1 . . . . 38 ASN N . 15035 1 308 . 1 1 58 58 ASN ND2 N 15 112.8 0.1 . 1 . . . . 38 ASN ND2 . 15035 1 309 . 1 1 59 59 TYR H H 1 7.55 0.015 . 1 . . . . 39 TYR HN . 15035 1 310 . 1 1 59 59 TYR HA H 1 4.70 0.015 . 1 . . . . 39 TYR HA . 15035 1 311 . 1 1 59 59 TYR HB2 H 1 2.96 0.015 . 1 . . . . 39 TYR HB2 . 15035 1 312 . 1 1 59 59 TYR HB3 H 1 3.06 0.015 . 1 . . . . 39 TYR HB3 . 15035 1 313 . 1 1 59 59 TYR HD1 H 1 7.01 0.015 . 1 . . . . 39 TYR HD1 . 15035 1 314 . 1 1 59 59 TYR HD2 H 1 7.01 0.015 . 1 . . . . 39 TYR HD2 . 15035 1 315 . 1 1 59 59 TYR HE1 H 1 6.74 0.015 . 1 . . . . 39 TYR HE1 . 15035 1 316 . 1 1 59 59 TYR HE2 H 1 6.74 0.015 . 1 . . . . 39 TYR HE2 . 15035 1 317 . 1 1 59 59 TYR N N 15 117.8 0.1 . 1 . . . . 39 TYR N . 15035 1 318 . 1 1 60 60 ARG H H 1 8.42 0.015 . 1 . . . . 40 ARG HN . 15035 1 319 . 1 1 60 60 ARG HE H 1 7.68 0.015 . 1 . . . . 40 ARG HE . 15035 1 320 . 1 1 60 60 ARG N N 15 122.4 0.1 . 1 . . . . 40 ARG N . 15035 1 321 . 1 1 61 61 VAL H H 1 8.09 0.015 . 1 . . . . 41 VAL HN . 15035 1 322 . 1 1 61 61 VAL HA H 1 4.80 0.015 . 1 . . . . 41 VAL HA . 15035 1 323 . 1 1 61 61 VAL HB H 1 1.97 0.015 . 1 . . . . 41 VAL HB . 15035 1 324 . 1 1 61 61 VAL HG11 H 1 0.86 0.015 . 1 . . . . 41 VAL HG1 . 15035 1 325 . 1 1 61 61 VAL HG12 H 1 0.86 0.015 . 1 . . . . 41 VAL HG1 . 15035 1 326 . 1 1 61 61 VAL HG13 H 1 0.86 0.015 . 1 . . . . 41 VAL HG1 . 15035 1 327 . 1 1 61 61 VAL HG21 H 1 0.77 0.015 . 1 . . . . 41 VAL HG2 . 15035 1 328 . 1 1 61 61 VAL HG22 H 1 0.77 0.015 . 1 . . . . 41 VAL HG2 . 15035 1 329 . 1 1 61 61 VAL HG23 H 1 0.77 0.015 . 1 . . . . 41 VAL HG2 . 15035 1 330 . 1 1 61 61 VAL N N 15 116.7 0.1 . 1 . . . . 41 VAL N . 15035 1 331 . 1 1 62 62 TYR H H 1 8.74 0.015 . 1 . . . . 42 TYR HN . 15035 1 332 . 1 1 62 62 TYR HB2 H 1 2.85 0.015 . 1 . . . . 42 TYR HB2 . 15035 1 333 . 1 1 62 62 TYR HB3 H 1 2.44 0.015 . 1 . . . . 42 TYR HB3 . 15035 1 334 . 1 1 62 62 TYR HD1 H 1 6.93 0.015 . 1 . . . . 42 TYR HD1 . 15035 1 335 . 1 1 62 62 TYR HD2 H 1 6.93 0.015 . 1 . . . . 42 TYR HD2 . 15035 1 336 . 1 1 62 62 TYR HE1 H 1 6.38 0.015 . 1 . . . . 42 TYR HE1 . 15035 1 337 . 1 1 62 62 TYR HE2 H 1 6.38 0.015 . 1 . . . . 42 TYR HE2 . 15035 1 338 . 1 1 62 62 TYR N N 15 119.6 0.1 . 1 . . . . 42 TYR N . 15035 1 339 . 1 1 63 63 SER H H 1 9.31 0.015 . 1 . . . . 43 SER HN . 15035 1 340 . 1 1 63 63 SER HA H 1 4.67 0.015 . 1 . . . . 43 SER HA . 15035 1 341 . 1 1 63 63 SER HB2 H 1 4.02 0.015 . 2 . . . . 43 SER HB2 . 15035 1 342 . 1 1 63 63 SER HB3 H 1 4.42 0.015 . 2 . . . . 43 SER HB3 . 15035 1 343 . 1 1 63 63 SER N N 15 117.3 0.1 . 1 . . . . 43 SER N . 15035 1 344 . 1 1 64 64 ARG H H 1 8.82 0.015 . 1 . . . . 44 ARG HN . 15035 1 345 . 1 1 64 64 ARG HA H 1 3.96 0.015 . 1 . . . . 44 ARG HA . 15035 1 346 . 1 1 64 64 ARG HB2 H 1 1.90 0.015 . 1 . . . . 44 ARG HB2 . 15035 1 347 . 1 1 64 64 ARG HB3 H 1 1.90 0.015 . 1 . . . . 44 ARG HB3 . 15035 1 348 . 1 1 64 64 ARG HG2 H 1 1.71 0.015 . 1 . . . . 44 ARG HG2 . 15035 1 349 . 1 1 64 64 ARG HG3 H 1 1.71 0.015 . 1 . . . . 44 ARG HG3 . 15035 1 350 . 1 1 64 64 ARG N N 15 121.8 0.1 . 1 . . . . 44 ARG N . 15035 1 351 . 1 1 65 65 GLU H H 1 8.93 0.015 . 1 . . . . 45 GLU HN . 15035 1 352 . 1 1 65 65 GLU HA H 1 4.11 0.015 . 1 . . . . 45 GLU HA . 15035 1 353 . 1 1 65 65 GLU HB2 H 1 2.07 0.015 . 2 . . . . 45 GLU HB2 . 15035 1 354 . 1 1 65 65 GLU HB3 H 1 2.14 0.015 . 2 . . . . 45 GLU HB3 . 15035 1 355 . 1 1 65 65 GLU HG2 H 1 2.35 0.015 . 2 . . . . 45 GLU HG2 . 15035 1 356 . 1 1 65 65 GLU HG3 H 1 2.49 0.015 . 2 . . . . 45 GLU HG3 . 15035 1 357 . 1 1 65 65 GLU N N 15 119.4 0.1 . 1 . . . . 45 GLU N . 15035 1 358 . 1 1 66 66 GLU H H 1 8.14 0.015 . 1 . . . . 46 GLU HN . 15035 1 359 . 1 1 66 66 GLU HA H 1 4.54 0.015 . 1 . . . . 46 GLU HA . 15035 1 360 . 1 1 66 66 GLU N N 15 123.4 0.1 . 1 . . . . 46 GLU N . 15035 1 361 . 1 1 67 67 VAL H H 1 7.68 0.015 . 1 . . . . 47 VAL HN . 15035 1 362 . 1 1 67 67 VAL HA H 1 3.30 0.015 . 1 . . . . 47 VAL HA . 15035 1 363 . 1 1 67 67 VAL HB H 1 2.26 0.015 . 1 . . . . 47 VAL HB . 15035 1 364 . 1 1 67 67 VAL HG11 H 1 0.84 0.015 . 1 . . . . 47 VAL HG1 . 15035 1 365 . 1 1 67 67 VAL HG12 H 1 0.84 0.015 . 1 . . . . 47 VAL HG1 . 15035 1 366 . 1 1 67 67 VAL HG13 H 1 0.84 0.015 . 1 . . . . 47 VAL HG1 . 15035 1 367 . 1 1 67 67 VAL HG21 H 1 1.00 0.015 . 1 . . . . 47 VAL HG2 . 15035 1 368 . 1 1 67 67 VAL HG22 H 1 1.00 0.015 . 1 . . . . 47 VAL HG2 . 15035 1 369 . 1 1 67 67 VAL HG23 H 1 1.00 0.015 . 1 . . . . 47 VAL HG2 . 15035 1 370 . 1 1 67 67 VAL N N 15 118.2 0.1 . 1 . . . . 47 VAL N . 15035 1 371 . 1 1 69 69 ALA H H 1 7.78 0.015 . 1 . . . . 49 ALA HN . 15035 1 372 . 1 1 69 69 ALA HA H 1 4.24 0.015 . 1 . . . . 49 ALA HA . 15035 1 373 . 1 1 69 69 ALA HB1 H 1 1.70 0.015 . 1 . . . . 49 ALA HB . 15035 1 374 . 1 1 69 69 ALA HB2 H 1 1.70 0.015 . 1 . . . . 49 ALA HB . 15035 1 375 . 1 1 69 69 ALA HB3 H 1 1.70 0.015 . 1 . . . . 49 ALA HB . 15035 1 376 . 1 1 69 69 ALA N N 15 123.2 0.1 . 1 . . . . 49 ALA N . 15035 1 377 . 1 1 70 70 VAL H H 1 8.35 0.015 . 1 . . . . 50 VAL HN . 15035 1 378 . 1 1 70 70 VAL HA H 1 3.84 0.015 . 1 . . . . 50 VAL HA . 15035 1 379 . 1 1 70 70 VAL HB H 1 2.36 0.015 . 1 . . . . 50 VAL HB . 15035 1 380 . 1 1 70 70 VAL HG11 H 1 0.96 0.015 . 2 . . . . 50 VAL HG1 . 15035 1 381 . 1 1 70 70 VAL HG12 H 1 0.96 0.015 . 2 . . . . 50 VAL HG1 . 15035 1 382 . 1 1 70 70 VAL HG13 H 1 0.96 0.015 . 2 . . . . 50 VAL HG1 . 15035 1 383 . 1 1 70 70 VAL HG21 H 1 1.03 0.015 . 2 . . . . 50 VAL HG2 . 15035 1 384 . 1 1 70 70 VAL HG22 H 1 1.03 0.015 . 2 . . . . 50 VAL HG2 . 15035 1 385 . 1 1 70 70 VAL HG23 H 1 1.03 0.015 . 2 . . . . 50 VAL HG2 . 15035 1 386 . 1 1 70 70 VAL N N 15 119.2 0.1 . 1 . . . . 50 VAL N . 15035 1 387 . 1 1 71 71 ARG H H 1 8.30 0.015 . 1 . . . . 51 ARG HN . 15035 1 388 . 1 1 71 71 ARG HA H 1 3.98 0.015 . 1 . . . . 51 ARG HA . 15035 1 389 . 1 1 71 71 ARG HB3 H 1 1.95 0.015 . 2 . . . . 51 ARG HB3 . 15035 1 390 . 1 1 71 71 ARG HE H 1 7.88 0.015 . 1 . . . . 51 ARG HE . 15035 1 391 . 1 1 71 71 ARG NE N 15 84.9 0.1 . 1 . . . . 51 ARG NE . 15035 1 392 . 1 1 72 72 ARG H H 1 8.20 0.015 . 1 . . . . 52 ARG HN . 15035 1 393 . 1 1 72 72 ARG HA H 1 4.03 0.015 . 1 . . . . 52 ARG HA . 15035 1 394 . 1 1 72 72 ARG N N 15 120.2 0.1 . 1 . . . . 52 ARG N . 15035 1 395 . 1 1 73 73 VAL H H 1 8.23 0.015 . 1 . . . . 53 VAL HN . 15035 1 396 . 1 1 73 73 VAL HA H 1 3.29 0.015 . 1 . . . . 53 VAL HA . 15035 1 397 . 1 1 73 73 VAL HB H 1 2.36 0.015 . 1 . . . . 53 VAL HB . 15035 1 398 . 1 1 73 73 VAL HG11 H 1 0.46 0.015 . 2 . . . . 53 VAL HG1 . 15035 1 399 . 1 1 73 73 VAL HG12 H 1 0.46 0.015 . 2 . . . . 53 VAL HG1 . 15035 1 400 . 1 1 73 73 VAL HG13 H 1 0.46 0.015 . 2 . . . . 53 VAL HG1 . 15035 1 401 . 1 1 73 73 VAL HG21 H 1 0.61 0.015 . 2 . . . . 53 VAL HG2 . 15035 1 402 . 1 1 73 73 VAL HG22 H 1 0.61 0.015 . 2 . . . . 53 VAL HG2 . 15035 1 403 . 1 1 73 73 VAL HG23 H 1 0.61 0.015 . 2 . . . . 53 VAL HG2 . 15035 1 404 . 1 1 73 73 VAL N N 15 121.3 0.1 . 1 . . . . 53 VAL N . 15035 1 405 . 1 1 74 74 ALA H H 1 8.54 0.015 . 1 . . . . 54 ALA HN . 15035 1 406 . 1 1 74 74 ALA HA H 1 4.11 0.015 . 1 . . . . 54 ALA HA . 15035 1 407 . 1 1 74 74 ALA HB1 H 1 1.63 0.015 . 1 . . . . 54 ALA HB . 15035 1 408 . 1 1 74 74 ALA HB2 H 1 1.63 0.015 . 1 . . . . 54 ALA HB . 15035 1 409 . 1 1 74 74 ALA HB3 H 1 1.63 0.015 . 1 . . . . 54 ALA HB . 15035 1 410 . 1 1 74 74 ALA N N 15 119.7 0.1 . 1 . . . . 54 ALA N . 15035 1 411 . 1 1 75 75 ARG H H 1 7.98 0.015 . 1 . . . . 55 ARG HN . 15035 1 412 . 1 1 75 75 ARG HE H 1 7.45 0.015 . 1 . . . . 55 ARG HE . 15035 1 413 . 1 1 75 75 ARG N N 15 117.9 0.1 . 1 . . . . 55 ARG N . 15035 1 414 . 1 1 75 75 ARG NE N 15 84.5 0.1 . 1 . . . . 55 ARG NE . 15035 1 415 . 1 1 76 76 LEU H H 1 8.27 0.015 . 1 . . . . 56 LEU HN . 15035 1 416 . 1 1 76 76 LEU HA H 1 3.94 0.015 . 1 . . . . 56 LEU HA . 15035 1 417 . 1 1 76 76 LEU HB2 H 1 1.80 0.015 . 1 . . . . 56 LEU HB2 . 15035 1 418 . 1 1 76 76 LEU HB3 H 1 1.80 0.015 . 1 . . . . 56 LEU HB3 . 15035 1 419 . 1 1 76 76 LEU HG H 1 1.81 0.015 . 1 . . . . 56 LEU HG . 15035 1 420 . 1 1 76 76 LEU HD11 H 1 0.72 0.015 . 2 . . . . 56 LEU HD1 . 15035 1 421 . 1 1 76 76 LEU HD12 H 1 0.72 0.015 . 2 . . . . 56 LEU HD1 . 15035 1 422 . 1 1 76 76 LEU HD13 H 1 0.72 0.015 . 2 . . . . 56 LEU HD1 . 15035 1 423 . 1 1 76 76 LEU HD21 H 1 0.78 0.015 . 2 . . . . 56 LEU HD2 . 15035 1 424 . 1 1 76 76 LEU HD22 H 1 0.78 0.015 . 2 . . . . 56 LEU HD2 . 15035 1 425 . 1 1 76 76 LEU HD23 H 1 0.78 0.015 . 2 . . . . 56 LEU HD2 . 15035 1 426 . 1 1 76 76 LEU N N 15 121.3 0.1 . 1 . . . . 56 LEU N . 15035 1 427 . 1 1 77 77 ILE H H 1 7.99 0.015 . 1 . . . . 57 ILE HN . 15035 1 428 . 1 1 77 77 ILE HA H 1 4.14 0.015 . 1 . . . . 57 ILE HA . 15035 1 429 . 1 1 77 77 ILE HB H 1 1.81 0.015 . 1 . . . . 57 ILE HB . 15035 1 430 . 1 1 77 77 ILE HG21 H 1 0.88 0.015 . 1 . . . . 57 ILE HG2 . 15035 1 431 . 1 1 77 77 ILE HG22 H 1 0.88 0.015 . 1 . . . . 57 ILE HG2 . 15035 1 432 . 1 1 77 77 ILE HG23 H 1 0.88 0.015 . 1 . . . . 57 ILE HG2 . 15035 1 433 . 1 1 77 77 ILE HD11 H 1 0.82 0.015 . 1 . . . . 57 ILE HD1 . 15035 1 434 . 1 1 77 77 ILE HD12 H 1 0.82 0.015 . 1 . . . . 57 ILE HD1 . 15035 1 435 . 1 1 77 77 ILE HD13 H 1 0.82 0.015 . 1 . . . . 57 ILE HD1 . 15035 1 436 . 1 1 77 77 ILE N N 15 117.9 0.1 . 1 . . . . 57 ILE N . 15035 1 437 . 1 1 78 78 GLN H H 1 8.20 0.015 . 1 . . . . 58 GLN HN . 15035 1 438 . 1 1 78 78 GLN HA H 1 4.11 0.015 . 1 . . . . 58 GLN HA . 15035 1 439 . 1 1 78 78 GLN HB2 H 1 2.14 0.015 . 1 . . . . 58 GLN HB2 . 15035 1 440 . 1 1 78 78 GLN HB3 H 1 2.24 0.015 . 1 . . . . 58 GLN HB3 . 15035 1 441 . 1 1 78 78 GLN HG2 H 1 2.58 0.015 . 1 . . . . 58 GLN HG2 . 15035 1 442 . 1 1 78 78 GLN HG3 H 1 2.45 0.015 . 1 . . . . 58 GLN HG3 . 15035 1 443 . 1 1 78 78 GLN HE21 H 1 7.88 0.015 . 2 . . . . 58 GLN HE21 . 15035 1 444 . 1 1 78 78 GLN HE22 H 1 7.48 0.015 . 2 . . . . 58 GLN HE22 . 15035 1 445 . 1 1 78 78 GLN N N 15 117.5 0.1 . 1 . . . . 58 GLN N . 15035 1 446 . 1 1 78 78 GLN NE2 N 15 110.9 0.1 . 1 . . . . 58 GLN NE2 . 15035 1 447 . 1 1 79 79 GLU H H 1 9.13 0.015 . 1 . . . . 59 GLU HN . 15035 1 448 . 1 1 79 79 GLU HA H 1 4.40 0.015 . 1 . . . . 59 GLU HA . 15035 1 449 . 1 1 79 79 GLU HB2 H 1 2.28 0.015 . 2 . . . . 59 GLU HB2 . 15035 1 450 . 1 1 79 79 GLU HB3 H 1 2.15 0.015 . 2 . . . . 59 GLU HB3 . 15035 1 451 . 1 1 79 79 GLU HG2 H 1 2.43 0.015 . 1 . . . . 59 GLU HG2 . 15035 1 452 . 1 1 79 79 GLU HG3 H 1 2.43 0.015 . 1 . . . . 59 GLU HG3 . 15035 1 453 . 1 1 79 79 GLU N N 15 115.6 0.1 . 1 . . . . 59 GLU N . 15035 1 454 . 1 1 80 80 GLU H H 1 7.26 0.015 . 1 . . . . 60 GLU HN . 15035 1 455 . 1 1 80 80 GLU HA H 1 4.62 0.015 . 1 . . . . 60 GLU HA . 15035 1 456 . 1 1 80 80 GLU HB2 H 1 2.22 0.015 . 1 . . . . 60 GLU HB2 . 15035 1 457 . 1 1 80 80 GLU HB3 H 1 2.22 0.015 . 1 . . . . 60 GLU HB3 . 15035 1 458 . 1 1 80 80 GLU HG2 H 1 2.31 0.015 . 1 . . . . 60 GLU HG2 . 15035 1 459 . 1 1 80 80 GLU HG3 H 1 2.31 0.015 . 1 . . . . 60 GLU HG3 . 15035 1 460 . 1 1 80 80 GLU N N 15 114.3 0.1 . 1 . . . . 60 GLU N . 15035 1 461 . 1 1 81 81 GLY H H 1 7.26 0.015 . 1 . . . . 61 GLY HN . 15035 1 462 . 1 1 81 81 GLY HA2 H 1 3.92 0.015 . 1 . . . . 61 GLY HA1 . 15035 1 463 . 1 1 81 81 GLY HA3 H 1 3.92 0.015 . 1 . . . . 61 GLY HA2 . 15035 1 464 . 1 1 81 81 GLY N N 15 107.3 0.1 . 1 . . . . 61 GLY N . 15035 1 465 . 1 1 82 82 LEU H H 1 7.27 0.015 . 1 . . . . 62 LEU HN . 15035 1 466 . 1 1 82 82 LEU HA H 1 4.25 0.015 . 1 . . . . 62 LEU HA . 15035 1 467 . 1 1 82 82 LEU HB2 H 1 1.10 0.015 . 2 . . . . 62 LEU HB2 . 15035 1 468 . 1 1 82 82 LEU HB3 H 1 1.57 0.015 . 2 . . . . 62 LEU HB3 . 15035 1 469 . 1 1 82 82 LEU HG H 1 1.57 0.015 . 1 . . . . 62 LEU HG . 15035 1 470 . 1 1 82 82 LEU HD11 H 1 0.72 0.015 . 1 . . . . 62 LEU HD1 . 15035 1 471 . 1 1 82 82 LEU HD12 H 1 0.72 0.015 . 1 . . . . 62 LEU HD1 . 15035 1 472 . 1 1 82 82 LEU HD13 H 1 0.72 0.015 . 1 . . . . 62 LEU HD1 . 15035 1 473 . 1 1 82 82 LEU HD21 H 1 0.75 0.015 . 1 . . . . 62 LEU HD2 . 15035 1 474 . 1 1 82 82 LEU HD22 H 1 0.75 0.015 . 1 . . . . 62 LEU HD2 . 15035 1 475 . 1 1 82 82 LEU HD23 H 1 0.75 0.015 . 1 . . . . 62 LEU HD2 . 15035 1 476 . 1 1 82 82 LEU N N 15 120.1 0.1 . 1 . . . . 62 LEU N . 15035 1 477 . 1 1 83 83 SER H H 1 8.41 0.015 . 1 . . . . 63 SER HN . 15035 1 478 . 1 1 83 83 SER HA H 1 4.40 0.015 . 1 . . . . 63 SER HA . 15035 1 479 . 1 1 83 83 SER HB2 H 1 3.78 0.015 . 1 . . . . 63 SER HB2 . 15035 1 480 . 1 1 83 83 SER HB3 H 1 3.78 0.015 . 1 . . . . 63 SER HB3 . 15035 1 481 . 1 1 83 83 SER N N 15 115.4 0.1 . 1 . . . . 63 SER N . 15035 1 482 . 1 1 84 84 VAL H H 1 8.45 0.015 . 1 . . . . 64 VAL HN . 15035 1 483 . 1 1 84 84 VAL HA H 1 3.08 0.015 . 1 . . . . 64 VAL HA . 15035 1 484 . 1 1 84 84 VAL HB H 1 1.72 0.015 . 1 . . . . 64 VAL HB . 15035 1 485 . 1 1 84 84 VAL HG11 H 1 0.06 0.015 . 1 . . . . 64 VAL HG1 . 15035 1 486 . 1 1 84 84 VAL HG12 H 1 0.06 0.015 . 1 . . . . 64 VAL HG1 . 15035 1 487 . 1 1 84 84 VAL HG13 H 1 0.06 0.015 . 1 . . . . 64 VAL HG1 . 15035 1 488 . 1 1 84 84 VAL HG21 H 1 0.84 0.015 . 1 . . . . 64 VAL HG2 . 15035 1 489 . 1 1 84 84 VAL HG22 H 1 0.84 0.015 . 1 . . . . 64 VAL HG2 . 15035 1 490 . 1 1 84 84 VAL HG23 H 1 0.84 0.015 . 1 . . . . 64 VAL HG2 . 15035 1 491 . 1 1 84 84 VAL N N 15 121.0 0.1 . 1 . . . . 64 VAL N . 15035 1 492 . 1 1 85 85 SER H H 1 7.90 0.015 . 1 . . . . 65 SER HN . 15035 1 493 . 1 1 85 85 SER HA H 1 3.22 0.015 . 1 . . . . 65 SER HA . 15035 1 494 . 1 1 85 85 SER HB2 H 1 3.71 0.015 . 2 . . . . 65 SER HB2 . 15035 1 495 . 1 1 85 85 SER HB3 H 1 3.74 0.015 . 2 . . . . 65 SER HB3 . 15035 1 496 . 1 1 85 85 SER N N 15 110.9 0.1 . 1 . . . . 65 SER N . 15035 1 497 . 1 1 86 86 GLU H H 1 7.43 0.015 . 1 . . . . 66 GLU HN . 15035 1 498 . 1 1 86 86 GLU HA H 1 3.88 0.015 . 1 . . . . 66 GLU HA . 15035 1 499 . 1 1 86 86 GLU HB2 H 1 1.86 0.015 . 2 . . . . 66 GLU HB2 . 15035 1 500 . 1 1 86 86 GLU HB3 H 1 2.07 0.015 . 2 . . . . 66 GLU HB3 . 15035 1 501 . 1 1 86 86 GLU HG2 H 1 2.19 0.015 . 1 . . . . 66 GLU HG2 . 15035 1 502 . 1 1 86 86 GLU HG3 H 1 2.19 0.015 . 1 . . . . 66 GLU HG3 . 15035 1 503 . 1 1 86 86 GLU N N 15 122.1 0.1 . 1 . . . . 66 GLU N . 15035 1 504 . 1 1 87 87 ALA H H 1 8.48 0.015 . 1 . . . . 67 ALA HN . 15035 1 505 . 1 1 87 87 ALA HA H 1 3.73 0.015 . 1 . . . . 67 ALA HA . 15035 1 506 . 1 1 87 87 ALA HB1 H 1 1.23 0.015 . 1 . . . . 67 ALA HB . 15035 1 507 . 1 1 87 87 ALA HB2 H 1 1.23 0.015 . 1 . . . . 67 ALA HB . 15035 1 508 . 1 1 87 87 ALA HB3 H 1 1.23 0.015 . 1 . . . . 67 ALA HB . 15035 1 509 . 1 1 87 87 ALA N N 15 123.5 0.1 . 1 . . . . 67 ALA N . 15035 1 510 . 1 1 88 88 ILE H H 1 7.99 0.015 . 1 . . . . 68 ILE HN . 15035 1 511 . 1 1 88 88 ILE HA H 1 2.72 0.015 . 1 . . . . 68 ILE HA . 15035 1 512 . 1 1 88 88 ILE HB H 1 0.99 0.015 . 1 . . . . 68 ILE HB . 15035 1 513 . 1 1 88 88 ILE HG13 H 1 0.95 0.015 . 2 . . . . 68 ILE HG13 . 15035 1 514 . 1 1 88 88 ILE HG21 H 1 0.24 0.015 . 1 . . . . 68 ILE HG2 . 15035 1 515 . 1 1 88 88 ILE HG22 H 1 0.24 0.015 . 1 . . . . 68 ILE HG2 . 15035 1 516 . 1 1 88 88 ILE HG23 H 1 0.24 0.015 . 1 . . . . 68 ILE HG2 . 15035 1 517 . 1 1 88 88 ILE HD11 H 1 -0.29 0.015 . 1 . . . . 68 ILE HD1 . 15035 1 518 . 1 1 88 88 ILE HD12 H 1 -0.29 0.015 . 1 . . . . 68 ILE HD1 . 15035 1 519 . 1 1 88 88 ILE HD13 H 1 -0.29 0.015 . 1 . . . . 68 ILE HD1 . 15035 1 520 . 1 1 88 88 ILE N N 15 117.1 0.1 . 1 . . . . 68 ILE N . 15035 1 521 . 1 1 89 89 ALA H H 1 7.43 0.015 . 1 . . . . 69 ALA HN . 15035 1 522 . 1 1 89 89 ALA HA H 1 3.86 0.015 . 1 . . . . 69 ALA HA . 15035 1 523 . 1 1 89 89 ALA HB1 H 1 1.35 0.015 . 1 . . . . 69 ALA HB . 15035 1 524 . 1 1 89 89 ALA HB2 H 1 1.35 0.015 . 1 . . . . 69 ALA HB . 15035 1 525 . 1 1 89 89 ALA HB3 H 1 1.35 0.015 . 1 . . . . 69 ALA HB . 15035 1 526 . 1 1 89 89 ALA N N 15 119.8 0.1 . 1 . . . . 69 ALA N . 15035 1 527 . 1 1 90 90 GLN H H 1 7.62 0.015 . 1 . . . . 70 GLN HN . 15035 1 528 . 1 1 90 90 GLN HA H 1 3.89 0.015 . 1 . . . . 70 GLN HA . 15035 1 529 . 1 1 90 90 GLN HB2 H 1 1.96 0.015 . 1 . . . . 70 GLN HB2 . 15035 1 530 . 1 1 90 90 GLN HB3 H 1 2.03 0.015 . 1 . . . . 70 GLN HB3 . 15035 1 531 . 1 1 90 90 GLN HG2 H 1 2.16 0.015 . 2 . . . . 70 GLN HG2 . 15035 1 532 . 1 1 90 90 GLN HG3 H 1 2.30 0.015 . 2 . . . . 70 GLN HG3 . 15035 1 533 . 1 1 90 90 GLN HE21 H 1 6.68 0.015 . 2 . . . . 70 GLN HE21 . 15035 1 534 . 1 1 90 90 GLN HE22 H 1 7.44 0.015 . 2 . . . . 70 GLN HE22 . 15035 1 535 . 1 1 90 90 GLN N N 15 116.3 0.1 . 1 . . . . 70 GLN N . 15035 1 536 . 1 1 90 90 GLN NE2 N 15 111.3 0.1 . 1 . . . . 70 GLN NE2 . 15035 1 537 . 1 1 91 91 VAL H H 1 7.61 0.015 . 1 . . . . 71 VAL HN . 15035 1 538 . 1 1 91 91 VAL HA H 1 3.83 0.015 . 1 . . . . 71 VAL HA . 15035 1 539 . 1 1 91 91 VAL HB H 1 1.72 0.015 . 1 . . . . 71 VAL HB . 15035 1 540 . 1 1 91 91 VAL HG11 H 1 0.93 0.015 . 1 . . . . 71 VAL HG1 . 15035 1 541 . 1 1 91 91 VAL HG12 H 1 0.93 0.015 . 1 . . . . 71 VAL HG1 . 15035 1 542 . 1 1 91 91 VAL HG13 H 1 0.93 0.015 . 1 . . . . 71 VAL HG1 . 15035 1 543 . 1 1 91 91 VAL HG21 H 1 0.82 0.015 . 1 . . . . 71 VAL HG2 . 15035 1 544 . 1 1 91 91 VAL HG22 H 1 0.82 0.015 . 1 . . . . 71 VAL HG2 . 15035 1 545 . 1 1 91 91 VAL HG23 H 1 0.82 0.015 . 1 . . . . 71 VAL HG2 . 15035 1 546 . 1 1 91 91 VAL N N 15 118.6 0.1 . 1 . . . . 71 VAL N . 15035 1 547 . 1 1 92 92 LYS H H 1 8.23 0.015 . 1 . . . . 72 LYS HN . 15035 1 548 . 1 1 92 92 LYS HA H 1 4.12 0.015 . 1 . . . . 72 LYS HA . 15035 1 549 . 1 1 92 92 LYS N N 15 119.4 0.1 . 1 . . . . 72 LYS N . 15035 1 550 . 1 1 93 93 THR H H 1 7.53 0.015 . 1 . . . . 73 THR HN . 15035 1 551 . 1 1 93 93 THR HA H 1 4.31 0.015 . 1 . . . . 73 THR HA . 15035 1 552 . 1 1 93 93 THR HB H 1 4.29 0.015 . 1 . . . . 73 THR HB . 15035 1 553 . 1 1 93 93 THR HG21 H 1 1.23 0.015 . 1 . . . . 73 THR HG2 . 15035 1 554 . 1 1 93 93 THR HG22 H 1 1.23 0.015 . 1 . . . . 73 THR HG2 . 15035 1 555 . 1 1 93 93 THR HG23 H 1 1.23 0.015 . 1 . . . . 73 THR HG2 . 15035 1 556 . 1 1 93 93 THR N N 15 111.1 0.1 . 1 . . . . 73 THR N . 15035 1 557 . 1 1 94 94 GLU H H 1 7.87 0.015 . 1 . . . . 74 GLU HN . 15035 1 558 . 1 1 94 94 GLU HA H 1 4.60 0.015 . 1 . . . . 74 GLU HA . 15035 1 559 . 1 1 94 94 GLU HB2 H 1 1.99 0.015 . 1 . . . . 74 GLU HB2 . 15035 1 560 . 1 1 94 94 GLU HB3 H 1 1.99 0.015 . 1 . . . . 74 GLU HB3 . 15035 1 561 . 1 1 94 94 GLU HG2 H 1 2.30 0.015 . 2 . . . . 74 GLU HG2 . 15035 1 562 . 1 1 94 94 GLU HG3 H 1 2.42 0.015 . 2 . . . . 74 GLU HG3 . 15035 1 563 . 1 1 94 94 GLU N N 15 124.5 0.1 . 1 . . . . 74 GLU N . 15035 1 564 . 1 1 95 95 PRO HA H 1 4.72 0.015 . 1 . . . . 75 PRO HA . 15035 1 565 . 1 1 95 95 PRO HB2 H 1 2.36 0.015 . 2 . . . . 75 PRO HB2 . 15035 1 566 . 1 1 95 95 PRO HD2 H 1 3.65 0.015 . 2 . . . . 75 PRO HD2 . 15035 1 567 . 1 1 95 95 PRO HD3 H 1 3.86 0.015 . 2 . . . . 75 PRO HD3 . 15035 1 568 . 1 1 96 96 PRO HA H 1 4.41 0.015 . 1 . . . . 76 PRO HA . 15035 1 569 . 1 1 96 96 PRO HG2 H 1 2.03 0.015 . 1 . . . . 76 PRO HG2 . 15035 1 570 . 1 1 96 96 PRO HG3 H 1 2.03 0.015 . 1 . . . . 76 PRO HG3 . 15035 1 571 . 1 1 96 96 PRO HD2 H 1 3.64 0.015 . 2 . . . . 76 PRO HD2 . 15035 1 572 . 1 1 96 96 PRO HD3 H 1 3.81 0.015 . 2 . . . . 76 PRO HD3 . 15035 1 573 . 1 1 97 97 ARG H H 1 8.51 0.015 . 1 . . . . 77 ARG HN . 15035 1 574 . 1 1 97 97 ARG HA H 1 4.34 0.015 . 1 . . . . 77 ARG HA . 15035 1 575 . 1 1 97 97 ARG HB2 H 1 1.75 0.015 . 2 . . . . 77 ARG HB2 . 15035 1 576 . 1 1 97 97 ARG HB3 H 1 1.86 0.015 . 2 . . . . 77 ARG HB3 . 15035 1 577 . 1 1 97 97 ARG HG2 H 1 1.66 0.015 . 1 . . . . 77 ARG HG2 . 15035 1 578 . 1 1 97 97 ARG HG3 H 1 1.66 0.015 . 1 . . . . 77 ARG HG3 . 15035 1 579 . 1 1 97 97 ARG HD2 H 1 3.18 0.015 . 1 . . . . 77 ARG HD2 . 15035 1 580 . 1 1 97 97 ARG HD3 H 1 3.18 0.015 . 1 . . . . 77 ARG HD3 . 15035 1 581 . 1 1 97 97 ARG HE H 1 7.27 0.015 . 1 . . . . 77 ARG HE . 15035 1 582 . 1 1 97 97 ARG N N 15 122.2 0.1 . 1 . . . . 77 ARG N . 15035 1 583 . 1 1 97 97 ARG NE N 15 85.1 0.1 . 1 . . . . 77 ARG NE . 15035 1 584 . 1 1 98 98 GLU H H 1 8.00 0.015 . 1 . . . . 78 GLU HN . 15035 1 585 . 1 1 98 98 GLU HA H 1 4.13 0.015 . 1 . . . . 78 GLU HA . 15035 1 586 . 1 1 98 98 GLU HB2 H 1 1.88 0.015 . 2 . . . . 78 GLU HB2 . 15035 1 587 . 1 1 98 98 GLU HB3 H 1 2.04 0.015 . 2 . . . . 78 GLU HB3 . 15035 1 588 . 1 1 98 98 GLU HG2 H 1 2.18 0.015 . 1 . . . . 78 GLU HG2 . 15035 1 589 . 1 1 98 98 GLU HG3 H 1 2.18 0.015 . 1 . . . . 78 GLU HG3 . 15035 1 590 . 1 1 98 98 GLU N N 15 126.7 0.1 . 1 . . . . 78 GLU N . 15035 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1 15035 1 1 4 15035 1 1 5 15035 1 1 6 15035 1 2 9 15035 1 2 12 15035 1 2 15 15035 1 2 18 15035 1 2 21 15035 1 2 25 15035 1 3 22 15035 1 stop_ save_