data_2539 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2539 _Entry.Title ; Determination of the Nuclear Magnetic Resonance Solution Structure of the DNA-binding Domain (Residues 1 to 69) of the 434 Repressor and Comparison with the X-ray Crystal Structure ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Dario Neri . . . 2539 2 Martin Billeter . . . 2539 3 Kurt Wuthrich . . . 2539 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2539 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 501 2539 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 5 . . 2010-06-17 . revision BMRB 'Complete natural source information' 2539 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2539 3 . . 1997-04-11 . revision BMRB 'Corrections made to assigned chemical shift entries' 2539 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2539 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2539 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2539 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Neri, Dario, Billeter, Martin, Wuthrich, Kurt, "Determination of the Nuclear Magnetic Resonance Solution Structure of the DNA-binding Domain (Residues 1 to 69) of the 434 Repressor and Comparison with the X-ray Crystal Structure," J. Mol. Biol. 223, 743-767 (1992). ; _Citation.Title ; Determination of the Nuclear Magnetic Resonance Solution Structure of the DNA-binding Domain (Residues 1 to 69) of the 434 Repressor and Comparison with the X-ray Crystal Structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 223 _Citation.Journal_issue . _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 743 _Citation.Page_last 767 _Citation.Year 1992 _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 Dario Neri . . . 2539 1 2 Martin Billeter . . . 2539 1 3 Kurt Wuthrich . . . 2539 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_434_repressor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_434_repressor _Assembly.Entry_ID 2539 _Assembly.ID 1 _Assembly.Name '434 repressor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 '434 repressor' 1 $434_repressor . . . . . . . . . 2539 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1PER . . . . . . 2539 1 yes PDB 1PRA . . . . . . 2539 1 yes PDB 1R63 . . . . . . 2539 1 yes PDB 1R69 . . . . . . 2539 1 yes PDB 1RPE . . . . . . 2539 1 yes PDB 2OR1 . . . . . . 2539 1 yes PDB 2R63 . . . . . . 2539 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '434 repressor' system 2539 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_434_repressor _Entity.Sf_category entity _Entity.Sf_framecode 434_repressor _Entity.Entry_ID 2539 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '434 repressor' _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 ; SISSRVKSKRIQLGLNQAEL AQKVGTTQQSIEQLENGKTK RPRFLPELASALGVSVDWLL NGTSDSNVR ; _Entity.Polymer_seq_one_letter_code ; SISSRVKSKRIQLGLNQAEL AQKVGTTQQSIEQLENGKTK RPRFLPELASALGVSVDWLL NGTSDSNVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-25 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 195 . "434 repressor" . . . . . 100.00 69 100.00 100.00 1.09e-39 . . . . 2539 1 2 no PDB 1PER . "The Complex Between Phage 434 Repression Dna-Binding Domain And Operator Site Or3: Structural Differences Between Consensus And" . . . . . 100.00 69 100.00 100.00 1.09e-39 . . . . 2539 1 3 no PDB 1PRA . "Determination Of The Nuclear Magnetic Resonance Solution Structure Of The Dna-Binding Domain (Residues 1 To 69) Of The 434 Repr" . . . . . 98.55 69 100.00 100.00 4.15e-39 . . . . 2539 1 4 no PDB 1R63 . "Structural Role Of A Buried Salt Bridge In The 434 Repressor Dna-Binding Domain, Nmr, 20 Structures" . . . . . 91.30 63 100.00 100.00 3.25e-35 . . . . 2539 1 5 no PDB 1R69 . "Structure Of The Amino-Terminal Domain Of Phage 434 Repressor At 2.0 Angstroms Resolution" . . . . . 100.00 69 100.00 100.00 1.09e-39 . . . . 2539 1 6 no PDB 1RPE . "The Phage 434 Or2R1-69 Complex At 2.5 Angstroms Resolution" . . . . . 100.00 69 100.00 100.00 1.09e-39 . . . . 2539 1 7 no PDB 2OR1 . "Recognition Of A Dna Operator By The Repressor Of Phage 434. A View At High Resolution" . . . . . 100.00 69 100.00 100.00 1.09e-39 . . . . 2539 1 8 no PDB 2R63 . "Structural Role Of A Buried Salt Bridge In The 434 Repressor Dna-Binding Domain, Nmr, 20 Structures" . . . . . 91.30 63 98.41 98.41 2.47e-34 . . . . 2539 1 9 no DBJ BAT39846 . "phage repressor protein CI [Escherichia albertii]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 10 no EMBL CAA68301 . "unnamed protein product [Phage 434]" . . . . . 100.00 95 100.00 100.00 2.03e-39 . . . . 2539 1 11 no EMBL CBG33631 . "putative prophage repressor [Escherichia coli 042]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 12 no EMBL CSZ37563 . "prophage repressor CI [Shigella sonnei]" . . . . . 100.00 210 100.00 100.00 5.39e-38 . . . . 2539 1 13 no EMBL CTR12671 . "putative prophage repressor [Escherichia coli]" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 14 no EMBL CTR54377 . "putative prophage repressor [Escherichia coli]" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 15 no GB AAA72530 . "cI repressor [unidentified cloning vector]" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 16 no GB AAD50896 . "434-GCN4-linker [Cloning vector pLS3]" . . . . . 100.00 138 100.00 100.00 3.65e-39 . . . . 2539 1 17 no GB ABF02546 . "putative prophage repressor CI [Shigella flexneri 5 str. 8401]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 18 no GB ADD54938 . "SOS-response transcriptional repressor [Escherichia coli O55:H7 str. CB9615]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 19 no GB AEZ38914 . "SOS-response transcriptional repressor [Escherichia coli O55:H7 str. RM12579]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 20 no PIR S32822 . "repressor protein cI - phage 434" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 21 no PRF 1011238A . "cI gene" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 22 no REF WP_000028392 . "MULTISPECIES: repressor [Enterobacteriaceae]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 23 no REF WP_000028393 . "MULTISPECIES: cI repressor protein [Enterobacteriaceae]" . . . . . 100.00 210 100.00 100.00 5.50e-38 . . . . 2539 1 24 no REF WP_000028394 . "repressor [Escherichia coli]" . . . . . 100.00 210 100.00 100.00 5.33e-38 . . . . 2539 1 25 no REF WP_000028395 . "repressor [Escherichia coli]" . . . . . 100.00 210 98.55 100.00 1.45e-37 . . . . 2539 1 26 no REF WP_001592290 . "hypothetical protein [Escherichia coli]" . . . . . 100.00 210 100.00 100.00 4.73e-38 . . . . 2539 1 27 no SP P16117 . "RecName: Full=Repressor protein CI" . . . . . 100.00 95 100.00 100.00 2.03e-39 . . . . 2539 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '434 repressor' common 2539 1 'DNA-binding domain (residues 1-69)' variant 2539 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 . SER . 2539 1 2 . ILE . 2539 1 3 . SER . 2539 1 4 . SER . 2539 1 5 . ARG . 2539 1 6 . VAL . 2539 1 7 . LYS . 2539 1 8 . SER . 2539 1 9 . LYS . 2539 1 10 . ARG . 2539 1 11 . ILE . 2539 1 12 . GLN . 2539 1 13 . LEU . 2539 1 14 . GLY . 2539 1 15 . LEU . 2539 1 16 . ASN . 2539 1 17 . GLN . 2539 1 18 . ALA . 2539 1 19 . GLU . 2539 1 20 . LEU . 2539 1 21 . ALA . 2539 1 22 . GLN . 2539 1 23 . LYS . 2539 1 24 . VAL . 2539 1 25 . GLY . 2539 1 26 . THR . 2539 1 27 . THR . 2539 1 28 . GLN . 2539 1 29 . GLN . 2539 1 30 . SER . 2539 1 31 . ILE . 2539 1 32 . GLU . 2539 1 33 . GLN . 2539 1 34 . LEU . 2539 1 35 . GLU . 2539 1 36 . ASN . 2539 1 37 . GLY . 2539 1 38 . LYS . 2539 1 39 . THR . 2539 1 40 . LYS . 2539 1 41 . ARG . 2539 1 42 . PRO . 2539 1 43 . ARG . 2539 1 44 . PHE . 2539 1 45 . LEU . 2539 1 46 . PRO . 2539 1 47 . GLU . 2539 1 48 . LEU . 2539 1 49 . ALA . 2539 1 50 . SER . 2539 1 51 . ALA . 2539 1 52 . LEU . 2539 1 53 . GLY . 2539 1 54 . VAL . 2539 1 55 . SER . 2539 1 56 . VAL . 2539 1 57 . ASP . 2539 1 58 . TRP . 2539 1 59 . LEU . 2539 1 60 . LEU . 2539 1 61 . ASN . 2539 1 62 . GLY . 2539 1 63 . THR . 2539 1 64 . SER . 2539 1 65 . ASP . 2539 1 66 . SER . 2539 1 67 . ASN . 2539 1 68 . VAL . 2539 1 69 . ARG . 2539 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 . SER 1 1 2539 1 . ILE 2 2 2539 1 . SER 3 3 2539 1 . SER 4 4 2539 1 . ARG 5 5 2539 1 . VAL 6 6 2539 1 . LYS 7 7 2539 1 . SER 8 8 2539 1 . LYS 9 9 2539 1 . ARG 10 10 2539 1 . ILE 11 11 2539 1 . GLN 12 12 2539 1 . LEU 13 13 2539 1 . GLY 14 14 2539 1 . LEU 15 15 2539 1 . ASN 16 16 2539 1 . GLN 17 17 2539 1 . ALA 18 18 2539 1 . GLU 19 19 2539 1 . LEU 20 20 2539 1 . ALA 21 21 2539 1 . GLN 22 22 2539 1 . LYS 23 23 2539 1 . VAL 24 24 2539 1 . GLY 25 25 2539 1 . THR 26 26 2539 1 . THR 27 27 2539 1 . GLN 28 28 2539 1 . GLN 29 29 2539 1 . SER 30 30 2539 1 . ILE 31 31 2539 1 . GLU 32 32 2539 1 . GLN 33 33 2539 1 . LEU 34 34 2539 1 . GLU 35 35 2539 1 . ASN 36 36 2539 1 . GLY 37 37 2539 1 . LYS 38 38 2539 1 . THR 39 39 2539 1 . LYS 40 40 2539 1 . ARG 41 41 2539 1 . PRO 42 42 2539 1 . ARG 43 43 2539 1 . PHE 44 44 2539 1 . LEU 45 45 2539 1 . PRO 46 46 2539 1 . GLU 47 47 2539 1 . LEU 48 48 2539 1 . ALA 49 49 2539 1 . SER 50 50 2539 1 . ALA 51 51 2539 1 . LEU 52 52 2539 1 . GLY 53 53 2539 1 . VAL 54 54 2539 1 . SER 55 55 2539 1 . VAL 56 56 2539 1 . ASP 57 57 2539 1 . TRP 58 58 2539 1 . LEU 59 59 2539 1 . LEU 60 60 2539 1 . ASN 61 61 2539 1 . GLY 62 62 2539 1 . THR 63 63 2539 1 . SER 64 64 2539 1 . ASP 65 65 2539 1 . SER 66 66 2539 1 . ASN 67 67 2539 1 . VAL 68 68 2539 1 . ARG 69 69 2539 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 2539 _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 $434_repressor . 10712 virus . 'Phage 434' . . . Virus . Phage 434 . . . . . . . . . . . . . . . . . . . . . 2539 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 2539 _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 $434_repressor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2539 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2539 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2539 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 . na 2539 1 temperature 286 . K 2539 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2539 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 2539 _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 unknown unknown . 0 'spectrometer information not available' . . 2539 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 2539 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2539 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2539 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2539 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2539 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2539 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.38 . . 1 . . . . . . . . 2539 1 2 . 1 1 1 1 SER HB2 H 1 4.22 . . 2 . . . . . . . . 2539 1 3 . 1 1 1 1 SER HB3 H 1 4.44 . . 2 . . . . . . . . 2539 1 4 . 1 1 2 2 ILE H H 1 9.48 . . 1 . . . . . . . . 2539 1 5 . 1 1 2 2 ILE HA H 1 4.05 . . 1 . . . . . . . . 2539 1 6 . 1 1 2 2 ILE HB H 1 2 . . 1 . . . . . . . . 2539 1 7 . 1 1 2 2 ILE HG12 H 1 1.07 . . 2 . . . . . . . . 2539 1 8 . 1 1 2 2 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 2539 1 9 . 1 1 2 2 ILE HG21 H 1 1.07 . . 1 . . . . . . . . 2539 1 10 . 1 1 2 2 ILE HG22 H 1 1.07 . . 1 . . . . . . . . 2539 1 11 . 1 1 2 2 ILE HG23 H 1 1.07 . . 1 . . . . . . . . 2539 1 12 . 1 1 2 2 ILE HD11 H 1 .85 . . 1 . . . . . . . . 2539 1 13 . 1 1 2 2 ILE HD12 H 1 .85 . . 1 . . . . . . . . 2539 1 14 . 1 1 2 2 ILE HD13 H 1 .85 . . 1 . . . . . . . . 2539 1 15 . 1 1 3 3 SER H H 1 7.77 . . 1 . . . . . . . . 2539 1 16 . 1 1 3 3 SER HA H 1 3.89 . . 1 . . . . . . . . 2539 1 17 . 1 1 3 3 SER HB2 H 1 3.93 . . 2 . . . . . . . . 2539 1 18 . 1 1 3 3 SER HB3 H 1 4.12 . . 2 . . . . . . . . 2539 1 19 . 1 1 4 4 SER H H 1 7.78 . . 1 . . . . . . . . 2539 1 20 . 1 1 4 4 SER HA H 1 4.24 . . 1 . . . . . . . . 2539 1 21 . 1 1 4 4 SER HB2 H 1 3.95 . . 2 . . . . . . . . 2539 1 22 . 1 1 4 4 SER HB3 H 1 4.04 . . 2 . . . . . . . . 2539 1 23 . 1 1 5 5 ARG H H 1 7.99 . . 1 . . . . . . . . 2539 1 24 . 1 1 5 5 ARG HA H 1 4.15 . . 1 . . . . . . . . 2539 1 25 . 1 1 5 5 ARG HB2 H 1 1.81 . . 1 . . . . . . . . 2539 1 26 . 1 1 5 5 ARG HB3 H 1 1.45 . . 1 . . . . . . . . 2539 1 27 . 1 1 5 5 ARG HG2 H 1 1.67 . . 2 . . . . . . . . 2539 1 28 . 1 1 5 5 ARG HG3 H 1 1.16 . . 2 . . . . . . . . 2539 1 29 . 1 1 5 5 ARG HD2 H 1 2.29 . . 1 . . . . . . . . 2539 1 30 . 1 1 5 5 ARG HD3 H 1 2.29 . . 1 . . . . . . . . 2539 1 31 . 1 1 5 5 ARG HE H 1 6.61 . . 1 . . . . . . . . 2539 1 32 . 1 1 6 6 VAL H H 1 8.38 . . 1 . . . . . . . . 2539 1 33 . 1 1 6 6 VAL HA H 1 3.5 . . 1 . . . . . . . . 2539 1 34 . 1 1 6 6 VAL HB H 1 2.13 . . 1 . . . . . . . . 2539 1 35 . 1 1 6 6 VAL HG11 H 1 1.13 . . 1 . . . . . . . . 2539 1 36 . 1 1 6 6 VAL HG12 H 1 1.13 . . 1 . . . . . . . . 2539 1 37 . 1 1 6 6 VAL HG13 H 1 1.13 . . 1 . . . . . . . . 2539 1 38 . 1 1 6 6 VAL HG21 H 1 1.14 . . 1 . . . . . . . . 2539 1 39 . 1 1 6 6 VAL HG22 H 1 1.14 . . 1 . . . . . . . . 2539 1 40 . 1 1 6 6 VAL HG23 H 1 1.14 . . 1 . . . . . . . . 2539 1 41 . 1 1 7 7 LYS H H 1 7.74 . . 1 . . . . . . . . 2539 1 42 . 1 1 7 7 LYS HA H 1 4.08 . . 1 . . . . . . . . 2539 1 43 . 1 1 7 7 LYS HB2 H 1 1.75 . . 1 . . . . . . . . 2539 1 44 . 1 1 7 7 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 2539 1 45 . 1 1 7 7 LYS HG2 H 1 1.47 . . 1 . . . . . . . . 2539 1 46 . 1 1 7 7 LYS HG3 H 1 1.47 . . 1 . . . . . . . . 2539 1 47 . 1 1 7 7 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 2539 1 48 . 1 1 7 7 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 2539 1 49 . 1 1 7 7 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 2539 1 50 . 1 1 7 7 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 2539 1 51 . 1 1 8 8 SER H H 1 8.22 . . 1 . . . . . . . . 2539 1 52 . 1 1 8 8 SER HA H 1 4.19 . . 1 . . . . . . . . 2539 1 53 . 1 1 8 8 SER HB2 H 1 4.13 . . 1 . . . . . . . . 2539 1 54 . 1 1 8 8 SER HB3 H 1 4.13 . . 1 . . . . . . . . 2539 1 55 . 1 1 9 9 LYS H H 1 8.29 . . 1 . . . . . . . . 2539 1 56 . 1 1 9 9 LYS HA H 1 4.35 . . 1 . . . . . . . . 2539 1 57 . 1 1 9 9 LYS HB2 H 1 2.07 . . 2 . . . . . . . . 2539 1 58 . 1 1 9 9 LYS HB3 H 1 2.32 . . 2 . . . . . . . . 2539 1 59 . 1 1 9 9 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 2539 1 60 . 1 1 9 9 LYS HG3 H 1 1.68 . . 2 . . . . . . . . 2539 1 61 . 1 1 9 9 LYS HD2 H 1 1.81 . . 1 . . . . . . . . 2539 1 62 . 1 1 9 9 LYS HD3 H 1 1.81 . . 1 . . . . . . . . 2539 1 63 . 1 1 9 9 LYS HE2 H 1 2.55 . . 2 . . . . . . . . 2539 1 64 . 1 1 9 9 LYS HE3 H 1 2.81 . . 2 . . . . . . . . 2539 1 65 . 1 1 10 10 ARG H H 1 9.02 . . 1 . . . . . . . . 2539 1 66 . 1 1 10 10 ARG HA H 1 3.77 . . 1 . . . . . . . . 2539 1 67 . 1 1 10 10 ARG HB2 H 1 1.75 . . 1 . . . . . . . . 2539 1 68 . 1 1 10 10 ARG HB3 H 1 2.29 . . 1 . . . . . . . . 2539 1 69 . 1 1 10 10 ARG HG2 H 1 2.07 . . 2 . . . . . . . . 2539 1 70 . 1 1 10 10 ARG HG3 H 1 1.26 . . 2 . . . . . . . . 2539 1 71 . 1 1 10 10 ARG HD2 H 1 2.81 . . 1 . . . . . . . . 2539 1 72 . 1 1 10 10 ARG HD3 H 1 2.81 . . 1 . . . . . . . . 2539 1 73 . 1 1 10 10 ARG HE H 1 11.82 . . 1 . . . . . . . . 2539 1 74 . 1 1 11 11 ILE H H 1 8.34 . . 1 . . . . . . . . 2539 1 75 . 1 1 11 11 ILE HA H 1 3.87 . . 1 . . . . . . . . 2539 1 76 . 1 1 11 11 ILE HB H 1 1.98 . . 1 . . . . . . . . 2539 1 77 . 1 1 11 11 ILE HG12 H 1 1.22 . . 2 . . . . . . . . 2539 1 78 . 1 1 11 11 ILE HG13 H 1 1.87 . . 2 . . . . . . . . 2539 1 79 . 1 1 11 11 ILE HG21 H 1 .98 . . 1 . . . . . . . . 2539 1 80 . 1 1 11 11 ILE HG22 H 1 .98 . . 1 . . . . . . . . 2539 1 81 . 1 1 11 11 ILE HG23 H 1 .98 . . 1 . . . . . . . . 2539 1 82 . 1 1 11 11 ILE HD11 H 1 .93 . . 1 . . . . . . . . 2539 1 83 . 1 1 11 11 ILE HD12 H 1 .93 . . 1 . . . . . . . . 2539 1 84 . 1 1 11 11 ILE HD13 H 1 .93 . . 1 . . . . . . . . 2539 1 85 . 1 1 12 12 GLN H H 1 8.27 . . 1 . . . . . . . . 2539 1 86 . 1 1 12 12 GLN HA H 1 4.09 . . 1 . . . . . . . . 2539 1 87 . 1 1 12 12 GLN HB2 H 1 2.36 . . 1 . . . . . . . . 2539 1 88 . 1 1 12 12 GLN HB3 H 1 2.36 . . 1 . . . . . . . . 2539 1 89 . 1 1 12 12 GLN HG2 H 1 2.64 . . 2 . . . . . . . . 2539 1 90 . 1 1 12 12 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 2539 1 91 . 1 1 12 12 GLN HE21 H 1 7.58 . . 1 . . . . . . . . 2539 1 92 . 1 1 12 12 GLN HE22 H 1 7.04 . . 1 . . . . . . . . 2539 1 93 . 1 1 13 13 LEU H H 1 7.91 . . 1 . . . . . . . . 2539 1 94 . 1 1 13 13 LEU HA H 1 4.3 . . 1 . . . . . . . . 2539 1 95 . 1 1 13 13 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 2539 1 96 . 1 1 13 13 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 2539 1 97 . 1 1 13 13 LEU HG H 1 1.93 . . 1 . . . . . . . . 2539 1 98 . 1 1 13 13 LEU HD11 H 1 .98 . . 1 . . . . . . . . 2539 1 99 . 1 1 13 13 LEU HD12 H 1 .98 . . 1 . . . . . . . . 2539 1 100 . 1 1 13 13 LEU HD13 H 1 .98 . . 1 . . . . . . . . 2539 1 101 . 1 1 13 13 LEU HD21 H 1 .93 . . 1 . . . . . . . . 2539 1 102 . 1 1 13 13 LEU HD22 H 1 .93 . . 1 . . . . . . . . 2539 1 103 . 1 1 13 13 LEU HD23 H 1 .93 . . 1 . . . . . . . . 2539 1 104 . 1 1 14 14 GLY H H 1 8.13 . . 1 . . . . . . . . 2539 1 105 . 1 1 14 14 GLY HA2 H 1 4.05 . . 1 . . . . . . . . 2539 1 106 . 1 1 14 14 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 2539 1 107 . 1 1 15 15 LEU H H 1 7.54 . . 1 . . . . . . . . 2539 1 108 . 1 1 15 15 LEU HA H 1 4.88 . . 1 . . . . . . . . 2539 1 109 . 1 1 15 15 LEU HB2 H 1 1.71 . . 1 . . . . . . . . 2539 1 110 . 1 1 15 15 LEU HB3 H 1 1.49 . . 1 . . . . . . . . 2539 1 111 . 1 1 15 15 LEU HG H 1 1.61 . . 1 . . . . . . . . 2539 1 112 . 1 1 15 15 LEU HD11 H 1 .83 . . 1 . . . . . . . . 2539 1 113 . 1 1 15 15 LEU HD12 H 1 .83 . . 1 . . . . . . . . 2539 1 114 . 1 1 15 15 LEU HD13 H 1 .83 . . 1 . . . . . . . . 2539 1 115 . 1 1 15 15 LEU HD21 H 1 .81 . . 1 . . . . . . . . 2539 1 116 . 1 1 15 15 LEU HD22 H 1 .81 . . 1 . . . . . . . . 2539 1 117 . 1 1 15 15 LEU HD23 H 1 .81 . . 1 . . . . . . . . 2539 1 118 . 1 1 16 16 ASN H H 1 9.38 . . 1 . . . . . . . . 2539 1 119 . 1 1 16 16 ASN HA H 1 4.79 . . 1 . . . . . . . . 2539 1 120 . 1 1 16 16 ASN HB2 H 1 3.48 . . 1 . . . . . . . . 2539 1 121 . 1 1 16 16 ASN HB3 H 1 2.92 . . 1 . . . . . . . . 2539 1 122 . 1 1 16 16 ASN HD21 H 1 7.5 . . 1 . . . . . . . . 2539 1 123 . 1 1 16 16 ASN HD22 H 1 7.03 . . 1 . . . . . . . . 2539 1 124 . 1 1 17 17 GLN H H 1 8.96 . . 1 . . . . . . . . 2539 1 125 . 1 1 17 17 GLN HA H 1 3.67 . . 1 . . . . . . . . 2539 1 126 . 1 1 17 17 GLN HB2 H 1 2.28 . . 1 . . . . . . . . 2539 1 127 . 1 1 17 17 GLN HB3 H 1 1.71 . . 1 . . . . . . . . 2539 1 128 . 1 1 17 17 GLN HG2 H 1 2.09 . . 1 . . . . . . . . 2539 1 129 . 1 1 17 17 GLN HG3 H 1 2.65 . . 1 . . . . . . . . 2539 1 130 . 1 1 17 17 GLN HE21 H 1 7.81 . . 1 . . . . . . . . 2539 1 131 . 1 1 17 17 GLN HE22 H 1 7.33 . . 1 . . . . . . . . 2539 1 132 . 1 1 18 18 ALA H H 1 8.46 . . 1 . . . . . . . . 2539 1 133 . 1 1 18 18 ALA HA H 1 3.87 . . 1 . . . . . . . . 2539 1 134 . 1 1 18 18 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 2539 1 135 . 1 1 18 18 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 2539 1 136 . 1 1 18 18 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 2539 1 137 . 1 1 19 19 GLU H H 1 9.05 . . 1 . . . . . . . . 2539 1 138 . 1 1 19 19 GLU HA H 1 4.06 . . 1 . . . . . . . . 2539 1 139 . 1 1 19 19 GLU HB2 H 1 2.26 . . 1 . . . . . . . . 2539 1 140 . 1 1 19 19 GLU HB3 H 1 1.93 . . 1 . . . . . . . . 2539 1 141 . 1 1 19 19 GLU HG2 H 1 2.62 . . 2 . . . . . . . . 2539 1 142 . 1 1 19 19 GLU HG3 H 1 1.93 . . 2 . . . . . . . . 2539 1 143 . 1 1 20 20 LEU H H 1 8.22 . . 1 . . . . . . . . 2539 1 144 . 1 1 20 20 LEU HA H 1 4.08 . . 1 . . . . . . . . 2539 1 145 . 1 1 20 20 LEU HB2 H 1 1.23 . . 1 . . . . . . . . 2539 1 146 . 1 1 20 20 LEU HB3 H 1 1.93 . . 1 . . . . . . . . 2539 1 147 . 1 1 20 20 LEU HG H 1 1.49 . . 1 . . . . . . . . 2539 1 148 . 1 1 20 20 LEU HD11 H 1 .87 . . 1 . . . . . . . . 2539 1 149 . 1 1 20 20 LEU HD12 H 1 .87 . . 1 . . . . . . . . 2539 1 150 . 1 1 20 20 LEU HD13 H 1 .87 . . 1 . . . . . . . . 2539 1 151 . 1 1 20 20 LEU HD21 H 1 .91 . . 1 . . . . . . . . 2539 1 152 . 1 1 20 20 LEU HD22 H 1 .91 . . 1 . . . . . . . . 2539 1 153 . 1 1 20 20 LEU HD23 H 1 .91 . . 1 . . . . . . . . 2539 1 154 . 1 1 21 21 ALA H H 1 8.4 . . 1 . . . . . . . . 2539 1 155 . 1 1 21 21 ALA HA H 1 3.42 . . 1 . . . . . . . . 2539 1 156 . 1 1 21 21 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 2539 1 157 . 1 1 21 21 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 2539 1 158 . 1 1 21 21 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 2539 1 159 . 1 1 22 22 GLN H H 1 7.94 . . 1 . . . . . . . . 2539 1 160 . 1 1 22 22 GLN HA H 1 4.11 . . 1 . . . . . . . . 2539 1 161 . 1 1 22 22 GLN HB2 H 1 2.22 . . 1 . . . . . . . . 2539 1 162 . 1 1 22 22 GLN HB3 H 1 2.22 . . 1 . . . . . . . . 2539 1 163 . 1 1 22 22 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 2539 1 164 . 1 1 22 22 GLN HG3 H 1 2.54 . . 2 . . . . . . . . 2539 1 165 . 1 1 22 22 GLN HE21 H 1 7.55 . . 1 . . . . . . . . 2539 1 166 . 1 1 22 22 GLN HE22 H 1 6.91 . . 1 . . . . . . . . 2539 1 167 . 1 1 23 23 LYS H H 1 7.67 . . 1 . . . . . . . . 2539 1 168 . 1 1 23 23 LYS HA H 1 4.09 . . 1 . . . . . . . . 2539 1 169 . 1 1 23 23 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 2539 1 170 . 1 1 23 23 LYS HB3 H 1 1.98 . . 2 . . . . . . . . 2539 1 171 . 1 1 23 23 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 2539 1 172 . 1 1 23 23 LYS HG3 H 1 1.67 . . 2 . . . . . . . . 2539 1 173 . 1 1 23 23 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 2539 1 174 . 1 1 23 23 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 2539 1 175 . 1 1 23 23 LYS HE2 H 1 3.12 . . 2 . . . . . . . . 2539 1 176 . 1 1 23 23 LYS HE3 H 1 3.02 . . 2 . . . . . . . . 2539 1 177 . 1 1 24 24 VAL H H 1 7.83 . . 1 . . . . . . . . 2539 1 178 . 1 1 24 24 VAL HA H 1 3.73 . . 1 . . . . . . . . 2539 1 179 . 1 1 24 24 VAL HB H 1 1.93 . . 1 . . . . . . . . 2539 1 180 . 1 1 24 24 VAL HG11 H 1 .72 . . 1 . . . . . . . . 2539 1 181 . 1 1 24 24 VAL HG12 H 1 .72 . . 1 . . . . . . . . 2539 1 182 . 1 1 24 24 VAL HG13 H 1 .72 . . 1 . . . . . . . . 2539 1 183 . 1 1 24 24 VAL HG21 H 1 .85 . . 1 . . . . . . . . 2539 1 184 . 1 1 24 24 VAL HG22 H 1 .85 . . 1 . . . . . . . . 2539 1 185 . 1 1 24 24 VAL HG23 H 1 .85 . . 1 . . . . . . . . 2539 1 186 . 1 1 25 25 GLY H H 1 7.96 . . 1 . . . . . . . . 2539 1 187 . 1 1 25 25 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 2539 1 188 . 1 1 25 25 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 2539 1 189 . 1 1 26 26 THR H H 1 7.73 . . 1 . . . . . . . . 2539 1 190 . 1 1 26 26 THR HA H 1 4.83 . . 1 . . . . . . . . 2539 1 191 . 1 1 26 26 THR HB H 1 3.29 . . 1 . . . . . . . . 2539 1 192 . 1 1 26 26 THR HG21 H 1 .45 . . 1 . . . . . . . . 2539 1 193 . 1 1 26 26 THR HG22 H 1 .45 . . 1 . . . . . . . . 2539 1 194 . 1 1 26 26 THR HG23 H 1 .45 . . 1 . . . . . . . . 2539 1 195 . 1 1 27 27 THR H H 1 8.31 . . 1 . . . . . . . . 2539 1 196 . 1 1 27 27 THR HA H 1 4.6 . . 1 . . . . . . . . 2539 1 197 . 1 1 27 27 THR HB H 1 4.72 . . 1 . . . . . . . . 2539 1 198 . 1 1 27 27 THR HG21 H 1 1.3 . . 1 . . . . . . . . 2539 1 199 . 1 1 27 27 THR HG22 H 1 1.3 . . 1 . . . . . . . . 2539 1 200 . 1 1 27 27 THR HG23 H 1 1.3 . . 1 . . . . . . . . 2539 1 201 . 1 1 28 28 GLN H H 1 9.44 . . 1 . . . . . . . . 2539 1 202 . 1 1 28 28 GLN HA H 1 3.58 . . 1 . . . . . . . . 2539 1 203 . 1 1 28 28 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 2539 1 204 . 1 1 28 28 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 2539 1 205 . 1 1 28 28 GLN HG2 H 1 2.13 . . 2 . . . . . . . . 2539 1 206 . 1 1 28 28 GLN HG3 H 1 2.25 . . 2 . . . . . . . . 2539 1 207 . 1 1 28 28 GLN HE21 H 1 7.58 . . 1 . . . . . . . . 2539 1 208 . 1 1 28 28 GLN HE22 H 1 7 . . 1 . . . . . . . . 2539 1 209 . 1 1 29 29 GLN H H 1 8.84 . . 1 . . . . . . . . 2539 1 210 . 1 1 29 29 GLN HA H 1 4.03 . . 1 . . . . . . . . 2539 1 211 . 1 1 29 29 GLN HB2 H 1 2 . . 2 . . . . . . . . 2539 1 212 . 1 1 29 29 GLN HB3 H 1 2.13 . . 2 . . . . . . . . 2539 1 213 . 1 1 29 29 GLN HG2 H 1 2.47 . . 1 . . . . . . . . 2539 1 214 . 1 1 29 29 GLN HG3 H 1 2.47 . . 1 . . . . . . . . 2539 1 215 . 1 1 29 29 GLN HE21 H 1 7.68 . . 1 . . . . . . . . 2539 1 216 . 1 1 29 29 GLN HE22 H 1 6.97 . . 1 . . . . . . . . 2539 1 217 . 1 1 30 30 SER H H 1 7.99 . . 1 . . . . . . . . 2539 1 218 . 1 1 30 30 SER HA H 1 4.35 . . 1 . . . . . . . . 2539 1 219 . 1 1 30 30 SER HB2 H 1 4.24 . . 1 . . . . . . . . 2539 1 220 . 1 1 30 30 SER HB3 H 1 4.03 . . 1 . . . . . . . . 2539 1 221 . 1 1 31 31 ILE H H 1 7.48 . . 1 . . . . . . . . 2539 1 222 . 1 1 31 31 ILE HA H 1 3.98 . . 1 . . . . . . . . 2539 1 223 . 1 1 31 31 ILE HB H 1 2.33 . . 1 . . . . . . . . 2539 1 224 . 1 1 31 31 ILE HG12 H 1 1.19 . . 2 . . . . . . . . 2539 1 225 . 1 1 31 31 ILE HG13 H 1 1.71 . . 2 . . . . . . . . 2539 1 226 . 1 1 31 31 ILE HG21 H 1 .91 . . 1 . . . . . . . . 2539 1 227 . 1 1 31 31 ILE HG22 H 1 .91 . . 1 . . . . . . . . 2539 1 228 . 1 1 31 31 ILE HG23 H 1 .91 . . 1 . . . . . . . . 2539 1 229 . 1 1 31 31 ILE HD11 H 1 .5 . . 1 . . . . . . . . 2539 1 230 . 1 1 31 31 ILE HD12 H 1 .5 . . 1 . . . . . . . . 2539 1 231 . 1 1 31 31 ILE HD13 H 1 .5 . . 1 . . . . . . . . 2539 1 232 . 1 1 32 32 GLU H H 1 8.51 . . 1 . . . . . . . . 2539 1 233 . 1 1 32 32 GLU HA H 1 4.01 . . 1 . . . . . . . . 2539 1 234 . 1 1 32 32 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 2539 1 235 . 1 1 32 32 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 2539 1 236 . 1 1 32 32 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 2539 1 237 . 1 1 32 32 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 2539 1 238 . 1 1 33 33 GLN H H 1 8.48 . . 1 . . . . . . . . 2539 1 239 . 1 1 33 33 GLN HA H 1 4.18 . . 1 . . . . . . . . 2539 1 240 . 1 1 33 33 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 2539 1 241 . 1 1 33 33 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 2539 1 242 . 1 1 33 33 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 2539 1 243 . 1 1 33 33 GLN HG3 H 1 2.68 . . 2 . . . . . . . . 2539 1 244 . 1 1 33 33 GLN HE21 H 1 7.52 . . 1 . . . . . . . . 2539 1 245 . 1 1 33 33 GLN HE22 H 1 6.95 . . 1 . . . . . . . . 2539 1 246 . 1 1 34 34 LEU H H 1 7.55 . . 1 . . . . . . . . 2539 1 247 . 1 1 34 34 LEU HA H 1 4.41 . . 1 . . . . . . . . 2539 1 248 . 1 1 34 34 LEU HB2 H 1 1.81 . . 1 . . . . . . . . 2539 1 249 . 1 1 34 34 LEU HB3 H 1 2.31 . . 1 . . . . . . . . 2539 1 250 . 1 1 34 34 LEU HG H 1 1.58 . . 1 . . . . . . . . 2539 1 251 . 1 1 34 34 LEU HD11 H 1 .91 . . 1 . . . . . . . . 2539 1 252 . 1 1 34 34 LEU HD12 H 1 .91 . . 1 . . . . . . . . 2539 1 253 . 1 1 34 34 LEU HD13 H 1 .91 . . 1 . . . . . . . . 2539 1 254 . 1 1 34 34 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 2539 1 255 . 1 1 34 34 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 2539 1 256 . 1 1 34 34 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 2539 1 257 . 1 1 35 35 GLU H H 1 8.8 . . 1 . . . . . . . . 2539 1 258 . 1 1 35 35 GLU HA H 1 3.95 . . 1 . . . . . . . . 2539 1 259 . 1 1 35 35 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 2539 1 260 . 1 1 35 35 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 2539 1 261 . 1 1 35 35 GLU HG2 H 1 2.71 . . 1 . . . . . . . . 2539 1 262 . 1 1 35 35 GLU HG3 H 1 2.71 . . 1 . . . . . . . . 2539 1 263 . 1 1 36 36 ASN H H 1 8.35 . . 1 . . . . . . . . 2539 1 264 . 1 1 36 36 ASN HA H 1 4.88 . . 1 . . . . . . . . 2539 1 265 . 1 1 36 36 ASN HB2 H 1 2.99 . . 1 . . . . . . . . 2539 1 266 . 1 1 36 36 ASN HB3 H 1 2.99 . . 1 . . . . . . . . 2539 1 267 . 1 1 36 36 ASN HD21 H 1 7.64 . . 1 . . . . . . . . 2539 1 268 . 1 1 36 36 ASN HD22 H 1 6.89 . . 1 . . . . . . . . 2539 1 269 . 1 1 37 37 GLY H H 1 7.6 . . 1 . . . . . . . . 2539 1 270 . 1 1 37 37 GLY HA2 H 1 4.25 . . 2 . . . . . . . . 2539 1 271 . 1 1 37 37 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 2539 1 272 . 1 1 38 38 LYS H H 1 8.36 . . 1 . . . . . . . . 2539 1 273 . 1 1 38 38 LYS HA H 1 4.28 . . 1 . . . . . . . . 2539 1 274 . 1 1 38 38 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 2539 1 275 . 1 1 38 38 LYS HB3 H 1 1.99 . . 2 . . . . . . . . 2539 1 276 . 1 1 38 38 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 2539 1 277 . 1 1 38 38 LYS HG3 H 1 1.54 . . 2 . . . . . . . . 2539 1 278 . 1 1 38 38 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 2539 1 279 . 1 1 38 38 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 2539 1 280 . 1 1 38 38 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 2539 1 281 . 1 1 38 38 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 2539 1 282 . 1 1 39 39 THR H H 1 7.67 . . 1 . . . . . . . . 2539 1 283 . 1 1 39 39 THR HA H 1 4.42 . . 1 . . . . . . . . 2539 1 284 . 1 1 39 39 THR HB H 1 3.89 . . 1 . . . . . . . . 2539 1 285 . 1 1 39 39 THR HG21 H 1 1.07 . . 1 . . . . . . . . 2539 1 286 . 1 1 39 39 THR HG22 H 1 1.07 . . 1 . . . . . . . . 2539 1 287 . 1 1 39 39 THR HG23 H 1 1.07 . . 1 . . . . . . . . 2539 1 288 . 1 1 40 40 LYS H H 1 8.57 . . 1 . . . . . . . . 2539 1 289 . 1 1 40 40 LYS HA H 1 4.26 . . 1 . . . . . . . . 2539 1 290 . 1 1 40 40 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 2539 1 291 . 1 1 40 40 LYS HB3 H 1 1.87 . . 2 . . . . . . . . 2539 1 292 . 1 1 40 40 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 2539 1 293 . 1 1 40 40 LYS HG3 H 1 1.51 . . 2 . . . . . . . . 2539 1 294 . 1 1 40 40 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 2539 1 295 . 1 1 40 40 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 2539 1 296 . 1 1 41 41 ARG H H 1 8.3 . . 1 . . . . . . . . 2539 1 297 . 1 1 41 41 ARG HA H 1 4.51 . . 1 . . . . . . . . 2539 1 298 . 1 1 41 41 ARG HB2 H 1 1.64 . . 2 . . . . . . . . 2539 1 299 . 1 1 41 41 ARG HB3 H 1 1.8 . . 2 . . . . . . . . 2539 1 300 . 1 1 41 41 ARG HG2 H 1 1.43 . . 2 . . . . . . . . 2539 1 301 . 1 1 41 41 ARG HG3 H 1 1.48 . . 2 . . . . . . . . 2539 1 302 . 1 1 41 41 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 2539 1 303 . 1 1 41 41 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 2539 1 304 . 1 1 41 41 ARG HE H 1 7.3 . . 1 . . . . . . . . 2539 1 305 . 1 1 42 42 PRO HA H 1 4.32 . . 1 . . . . . . . . 2539 1 306 . 1 1 42 42 PRO HB2 H 1 1.56 . . 1 . . . . . . . . 2539 1 307 . 1 1 42 42 PRO HB3 H 1 .43 . . 1 . . . . . . . . 2539 1 308 . 1 1 42 42 PRO HG2 H 1 1.36 . . 2 . . . . . . . . 2539 1 309 . 1 1 42 42 PRO HG3 H 1 1.6 . . 2 . . . . . . . . 2539 1 310 . 1 1 42 42 PRO HD2 H 1 3.28 . . 2 . . . . . . . . 2539 1 311 . 1 1 42 42 PRO HD3 H 1 3.34 . . 2 . . . . . . . . 2539 1 312 . 1 1 43 43 ARG H H 1 9.13 . . 1 . . . . . . . . 2539 1 313 . 1 1 43 43 ARG HA H 1 4.16 . . 1 . . . . . . . . 2539 1 314 . 1 1 43 43 ARG HB2 H 1 1.96 . . 1 . . . . . . . . 2539 1 315 . 1 1 43 43 ARG HB3 H 1 1.96 . . 1 . . . . . . . . 2539 1 316 . 1 1 43 43 ARG HG2 H 1 1.81 . . 1 . . . . . . . . 2539 1 317 . 1 1 43 43 ARG HG3 H 1 1.81 . . 1 . . . . . . . . 2539 1 318 . 1 1 43 43 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 2539 1 319 . 1 1 43 43 ARG HD3 H 1 3.32 . . 1 . . . . . . . . 2539 1 320 . 1 1 43 43 ARG HE H 1 7.37 . . 1 . . . . . . . . 2539 1 321 . 1 1 44 44 PHE H H 1 6.32 . . 1 . . . . . . . . 2539 1 322 . 1 1 44 44 PHE HA H 1 5.28 . . 1 . . . . . . . . 2539 1 323 . 1 1 44 44 PHE HB2 H 1 3.73 . . 1 . . . . . . . . 2539 1 324 . 1 1 44 44 PHE HB3 H 1 2.9 . . 1 . . . . . . . . 2539 1 325 . 1 1 44 44 PHE HD1 H 1 7.35 . . 1 . . . . . . . . 2539 1 326 . 1 1 44 44 PHE HD2 H 1 7.35 . . 1 . . . . . . . . 2539 1 327 . 1 1 44 44 PHE HE1 H 1 7.41 . . 1 . . . . . . . . 2539 1 328 . 1 1 44 44 PHE HE2 H 1 7.41 . . 1 . . . . . . . . 2539 1 329 . 1 1 44 44 PHE HZ H 1 7.18 . . 1 . . . . . . . . 2539 1 330 . 1 1 45 45 LEU H H 1 7.29 . . 1 . . . . . . . . 2539 1 331 . 1 1 45 45 LEU HA H 1 4.08 . . 1 . . . . . . . . 2539 1 332 . 1 1 45 45 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 2539 1 333 . 1 1 45 45 LEU HB3 H 1 1.71 . . 2 . . . . . . . . 2539 1 334 . 1 1 45 45 LEU HG H 1 1.71 . . 1 . . . . . . . . 2539 1 335 . 1 1 45 45 LEU HD11 H 1 .95 . . 1 . . . . . . . . 2539 1 336 . 1 1 45 45 LEU HD12 H 1 .95 . . 1 . . . . . . . . 2539 1 337 . 1 1 45 45 LEU HD13 H 1 .95 . . 1 . . . . . . . . 2539 1 338 . 1 1 45 45 LEU HD21 H 1 .88 . . 1 . . . . . . . . 2539 1 339 . 1 1 45 45 LEU HD22 H 1 .88 . . 1 . . . . . . . . 2539 1 340 . 1 1 45 45 LEU HD23 H 1 .88 . . 1 . . . . . . . . 2539 1 341 . 1 1 46 46 PRO HA H 1 4.15 . . 1 . . . . . . . . 2539 1 342 . 1 1 46 46 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 2539 1 343 . 1 1 46 46 PRO HB3 H 1 2.4 . . 2 . . . . . . . . 2539 1 344 . 1 1 46 46 PRO HG2 H 1 1.73 . . 2 . . . . . . . . 2539 1 345 . 1 1 46 46 PRO HG3 H 1 2.32 . . 2 . . . . . . . . 2539 1 346 . 1 1 46 46 PRO HD2 H 1 3.8 . . 1 . . . . . . . . 2539 1 347 . 1 1 46 46 PRO HD3 H 1 3.87 . . 1 . . . . . . . . 2539 1 348 . 1 1 47 47 GLU H H 1 8.92 . . 1 . . . . . . . . 2539 1 349 . 1 1 47 47 GLU HA H 1 4.19 . . 1 . . . . . . . . 2539 1 350 . 1 1 47 47 GLU HB2 H 1 2.45 . . 1 . . . . . . . . 2539 1 351 . 1 1 47 47 GLU HB3 H 1 2.22 . . 1 . . . . . . . . 2539 1 352 . 1 1 47 47 GLU HG2 H 1 2.78 . . 2 . . . . . . . . 2539 1 353 . 1 1 47 47 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 2539 1 354 . 1 1 48 48 LEU H H 1 8.81 . . 1 . . . . . . . . 2539 1 355 . 1 1 48 48 LEU HA H 1 4.18 . . 1 . . . . . . . . 2539 1 356 . 1 1 48 48 LEU HB2 H 1 1.71 . . 1 . . . . . . . . 2539 1 357 . 1 1 48 48 LEU HB3 H 1 2.29 . . 1 . . . . . . . . 2539 1 358 . 1 1 48 48 LEU HG H 1 1.71 . . 1 . . . . . . . . 2539 1 359 . 1 1 48 48 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 2539 1 360 . 1 1 48 48 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 2539 1 361 . 1 1 48 48 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 2539 1 362 . 1 1 48 48 LEU HD21 H 1 1.02 . . 1 . . . . . . . . 2539 1 363 . 1 1 48 48 LEU HD22 H 1 1.02 . . 1 . . . . . . . . 2539 1 364 . 1 1 48 48 LEU HD23 H 1 1.02 . . 1 . . . . . . . . 2539 1 365 . 1 1 49 49 ALA H H 1 8.62 . . 1 . . . . . . . . 2539 1 366 . 1 1 49 49 ALA HA H 1 3.87 . . 1 . . . . . . . . 2539 1 367 . 1 1 49 49 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 2539 1 368 . 1 1 49 49 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 2539 1 369 . 1 1 49 49 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 2539 1 370 . 1 1 50 50 SER H H 1 7.9 . . 1 . . . . . . . . 2539 1 371 . 1 1 50 50 SER HA H 1 4.31 . . 1 . . . . . . . . 2539 1 372 . 1 1 50 50 SER HB2 H 1 4.02 . . 1 . . . . . . . . 2539 1 373 . 1 1 50 50 SER HB3 H 1 4.02 . . 1 . . . . . . . . 2539 1 374 . 1 1 51 51 ALA H H 1 8.15 . . 1 . . . . . . . . 2539 1 375 . 1 1 51 51 ALA HA H 1 4.13 . . 1 . . . . . . . . 2539 1 376 . 1 1 51 51 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 2539 1 377 . 1 1 51 51 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 2539 1 378 . 1 1 51 51 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 2539 1 379 . 1 1 52 52 LEU H H 1 7.79 . . 1 . . . . . . . . 2539 1 380 . 1 1 52 52 LEU HA H 1 4.31 . . 1 . . . . . . . . 2539 1 381 . 1 1 52 52 LEU HB2 H 1 1.98 . . 1 . . . . . . . . 2539 1 382 . 1 1 52 52 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 2539 1 383 . 1 1 52 52 LEU HG H 1 1.61 . . 1 . . . . . . . . 2539 1 384 . 1 1 52 52 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 2539 1 385 . 1 1 52 52 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 2539 1 386 . 1 1 52 52 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 2539 1 387 . 1 1 52 52 LEU HD21 H 1 .82 . . 1 . . . . . . . . 2539 1 388 . 1 1 52 52 LEU HD22 H 1 .82 . . 1 . . . . . . . . 2539 1 389 . 1 1 52 52 LEU HD23 H 1 .82 . . 1 . . . . . . . . 2539 1 390 . 1 1 53 53 GLY H H 1 7.91 . . 1 . . . . . . . . 2539 1 391 . 1 1 53 53 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 2539 1 392 . 1 1 53 53 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 2539 1 393 . 1 1 54 54 VAL H H 1 8.09 . . 1 . . . . . . . . 2539 1 394 . 1 1 54 54 VAL HA H 1 4.76 . . 1 . . . . . . . . 2539 1 395 . 1 1 54 54 VAL HB H 1 2.29 . . 1 . . . . . . . . 2539 1 396 . 1 1 54 54 VAL HG11 H 1 .45 . . 1 . . . . . . . . 2539 1 397 . 1 1 54 54 VAL HG12 H 1 .45 . . 1 . . . . . . . . 2539 1 398 . 1 1 54 54 VAL HG13 H 1 .45 . . 1 . . . . . . . . 2539 1 399 . 1 1 54 54 VAL HG21 H 1 1.02 . . 1 . . . . . . . . 2539 1 400 . 1 1 54 54 VAL HG22 H 1 1.02 . . 1 . . . . . . . . 2539 1 401 . 1 1 54 54 VAL HG23 H 1 1.02 . . 1 . . . . . . . . 2539 1 402 . 1 1 55 55 SER H H 1 8.41 . . 1 . . . . . . . . 2539 1 403 . 1 1 55 55 SER HA H 1 4.82 . . 1 . . . . . . . . 2539 1 404 . 1 1 55 55 SER HB2 H 1 4.05 . . 1 . . . . . . . . 2539 1 405 . 1 1 55 55 SER HB3 H 1 4.45 . . 1 . . . . . . . . 2539 1 406 . 1 1 56 56 VAL H H 1 9.04 . . 1 . . . . . . . . 2539 1 407 . 1 1 56 56 VAL HA H 1 3.57 . . 1 . . . . . . . . 2539 1 408 . 1 1 56 56 VAL HB H 1 2.09 . . 1 . . . . . . . . 2539 1 409 . 1 1 56 56 VAL HG11 H 1 1 . . 1 . . . . . . . . 2539 1 410 . 1 1 56 56 VAL HG12 H 1 1 . . 1 . . . . . . . . 2539 1 411 . 1 1 56 56 VAL HG13 H 1 1 . . 1 . . . . . . . . 2539 1 412 . 1 1 56 56 VAL HG21 H 1 1.07 . . 1 . . . . . . . . 2539 1 413 . 1 1 56 56 VAL HG22 H 1 1.07 . . 1 . . . . . . . . 2539 1 414 . 1 1 56 56 VAL HG23 H 1 1.07 . . 1 . . . . . . . . 2539 1 415 . 1 1 57 57 ASP H H 1 8.41 . . 1 . . . . . . . . 2539 1 416 . 1 1 57 57 ASP HA H 1 4.35 . . 1 . . . . . . . . 2539 1 417 . 1 1 57 57 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 2539 1 418 . 1 1 57 57 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 2539 1 419 . 1 1 58 58 TRP H H 1 8.51 . . 1 . . . . . . . . 2539 1 420 . 1 1 58 58 TRP HA H 1 4.09 . . 1 . . . . . . . . 2539 1 421 . 1 1 58 58 TRP HB2 H 1 3.34 . . 1 . . . . . . . . 2539 1 422 . 1 1 58 58 TRP HB3 H 1 3.44 . . 1 . . . . . . . . 2539 1 423 . 1 1 58 58 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 2539 1 424 . 1 1 58 58 TRP HE1 H 1 10.35 . . 1 . . . . . . . . 2539 1 425 . 1 1 58 58 TRP HE3 H 1 7.36 . . 1 . . . . . . . . 2539 1 426 . 1 1 58 58 TRP HZ2 H 1 7.61 . . 1 . . . . . . . . 2539 1 427 . 1 1 58 58 TRP HZ3 H 1 6.83 . . 1 . . . . . . . . 2539 1 428 . 1 1 58 58 TRP HH2 H 1 7.29 . . 1 . . . . . . . . 2539 1 429 . 1 1 59 59 LEU H H 1 8.04 . . 1 . . . . . . . . 2539 1 430 . 1 1 59 59 LEU HA H 1 3.53 . . 1 . . . . . . . . 2539 1 431 . 1 1 59 59 LEU HB2 H 1 2.25 . . 1 . . . . . . . . 2539 1 432 . 1 1 59 59 LEU HB3 H 1 1.34 . . 1 . . . . . . . . 2539 1 433 . 1 1 59 59 LEU HG H 1 2.08 . . 1 . . . . . . . . 2539 1 434 . 1 1 59 59 LEU HD11 H 1 .91 . . 1 . . . . . . . . 2539 1 435 . 1 1 59 59 LEU HD12 H 1 .91 . . 1 . . . . . . . . 2539 1 436 . 1 1 59 59 LEU HD13 H 1 .91 . . 1 . . . . . . . . 2539 1 437 . 1 1 59 59 LEU HD21 H 1 .98 . . 1 . . . . . . . . 2539 1 438 . 1 1 59 59 LEU HD22 H 1 .98 . . 1 . . . . . . . . 2539 1 439 . 1 1 59 59 LEU HD23 H 1 .98 . . 1 . . . . . . . . 2539 1 440 . 1 1 60 60 LEU H H 1 8.41 . . 1 . . . . . . . . 2539 1 441 . 1 1 60 60 LEU HA H 1 4.01 . . 1 . . . . . . . . 2539 1 442 . 1 1 60 60 LEU HB2 H 1 1.8 . . 1 . . . . . . . . 2539 1 443 . 1 1 60 60 LEU HB3 H 1 1.42 . . 1 . . . . . . . . 2539 1 444 . 1 1 60 60 LEU HG H 1 1.73 . . 1 . . . . . . . . 2539 1 445 . 1 1 60 60 LEU HD11 H 1 .86 . . 1 . . . . . . . . 2539 1 446 . 1 1 60 60 LEU HD12 H 1 .86 . . 1 . . . . . . . . 2539 1 447 . 1 1 60 60 LEU HD13 H 1 .86 . . 1 . . . . . . . . 2539 1 448 . 1 1 60 60 LEU HD21 H 1 .85 . . 1 . . . . . . . . 2539 1 449 . 1 1 60 60 LEU HD22 H 1 .85 . . 1 . . . . . . . . 2539 1 450 . 1 1 60 60 LEU HD23 H 1 .85 . . 1 . . . . . . . . 2539 1 451 . 1 1 61 61 ASN H H 1 8.43 . . 1 . . . . . . . . 2539 1 452 . 1 1 61 61 ASN HA H 1 4.89 . . 1 . . . . . . . . 2539 1 453 . 1 1 61 61 ASN HB2 H 1 2.73 . . 1 . . . . . . . . 2539 1 454 . 1 1 61 61 ASN HB3 H 1 2.73 . . 1 . . . . . . . . 2539 1 455 . 1 1 61 61 ASN HD21 H 1 7.76 . . 1 . . . . . . . . 2539 1 456 . 1 1 61 61 ASN HD22 H 1 7.06 . . 1 . . . . . . . . 2539 1 457 . 1 1 62 62 GLY H H 1 8.52 . . 1 . . . . . . . . 2539 1 458 . 1 1 62 62 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 2539 1 459 . 1 1 62 62 GLY HA3 H 1 3.05 . . 2 . . . . . . . . 2539 1 460 . 1 1 63 63 THR H H 1 7.91 . . 1 . . . . . . . . 2539 1 461 . 1 1 63 63 THR HA H 1 4.41 . . 1 . . . . . . . . 2539 1 462 . 1 1 63 63 THR HB H 1 4.25 . . 1 . . . . . . . . 2539 1 463 . 1 1 63 63 THR HG21 H 1 1.3 . . 1 . . . . . . . . 2539 1 464 . 1 1 63 63 THR HG22 H 1 1.3 . . 1 . . . . . . . . 2539 1 465 . 1 1 63 63 THR HG23 H 1 1.3 . . 1 . . . . . . . . 2539 1 466 . 1 1 64 64 SER H H 1 8.67 . . 1 . . . . . . . . 2539 1 467 . 1 1 64 64 SER HA H 1 4.59 . . 1 . . . . . . . . 2539 1 468 . 1 1 64 64 SER HB2 H 1 3.95 . . 2 . . . . . . . . 2539 1 469 . 1 1 64 64 SER HB3 H 1 3.98 . . 2 . . . . . . . . 2539 1 470 . 1 1 65 65 ASP H H 1 8.57 . . 1 . . . . . . . . 2539 1 471 . 1 1 65 65 ASP HA H 1 4.7 . . 1 . . . . . . . . 2539 1 472 . 1 1 65 65 ASP HB2 H 1 2.71 . . 1 . . . . . . . . 2539 1 473 . 1 1 65 65 ASP HB3 H 1 2.71 . . 1 . . . . . . . . 2539 1 474 . 1 1 66 66 SER H H 1 8.43 . . 1 . . . . . . . . 2539 1 475 . 1 1 66 66 SER HA H 1 4.44 . . 1 . . . . . . . . 2539 1 476 . 1 1 66 66 SER HB2 H 1 3.84 . . 2 . . . . . . . . 2539 1 477 . 1 1 66 66 SER HB3 H 1 3.91 . . 2 . . . . . . . . 2539 1 478 . 1 1 67 67 ASN H H 1 8.58 . . 1 . . . . . . . . 2539 1 479 . 1 1 67 67 ASN HA H 1 4.76 . . 1 . . . . . . . . 2539 1 480 . 1 1 67 67 ASN HB2 H 1 2.8 . . 1 . . . . . . . . 2539 1 481 . 1 1 67 67 ASN HB3 H 1 2.8 . . 1 . . . . . . . . 2539 1 482 . 1 1 67 67 ASN HD21 H 1 7.73 . . 1 . . . . . . . . 2539 1 483 . 1 1 67 67 ASN HD22 H 1 7 . . 1 . . . . . . . . 2539 1 484 . 1 1 68 68 VAL H H 1 8.08 . . 1 . . . . . . . . 2539 1 485 . 1 1 68 68 VAL HA H 1 4.12 . . 1 . . . . . . . . 2539 1 486 . 1 1 68 68 VAL HB H 1 2.12 . . 1 . . . . . . . . 2539 1 487 . 1 1 68 68 VAL HG11 H 1 .95 . . 1 . . . . . . . . 2539 1 488 . 1 1 68 68 VAL HG12 H 1 .95 . . 1 . . . . . . . . 2539 1 489 . 1 1 68 68 VAL HG13 H 1 .95 . . 1 . . . . . . . . 2539 1 490 . 1 1 68 68 VAL HG21 H 1 .95 . . 1 . . . . . . . . 2539 1 491 . 1 1 68 68 VAL HG22 H 1 .95 . . 1 . . . . . . . . 2539 1 492 . 1 1 68 68 VAL HG23 H 1 .95 . . 1 . . . . . . . . 2539 1 493 . 1 1 69 69 ARG H H 1 8.1 . . 1 . . . . . . . . 2539 1 494 . 1 1 69 69 ARG HA H 1 4.23 . . 1 . . . . . . . . 2539 1 495 . 1 1 69 69 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 2539 1 496 . 1 1 69 69 ARG HB3 H 1 1.9 . . 2 . . . . . . . . 2539 1 497 . 1 1 69 69 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 2539 1 498 . 1 1 69 69 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 2539 1 499 . 1 1 69 69 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 2539 1 500 . 1 1 69 69 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 2539 1 501 . 1 1 69 69 ARG HE H 1 7.26 . . 1 . . . . . . . . 2539 1 stop_ save_