data_932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 932 _Entry.Title ; Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap ; _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 Michael Wittekind . . . 932 2 Jonathan Reizer . . . 932 3 Rachel Klevit . E. . 932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 550 932 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 4 . . 2010-06-11 . revision BMRB 'Complete natural source information' 932 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 932 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 932 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wittekind, Michael, Reizer, Jonathan, Klevit, Rachel E., "Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap," Biochemistry 29, 7191-7200 (1990). ; _Citation.Title ; Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 7191 _Citation.Page_last 7200 _Citation.Year 1990 _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 Michael Wittekind . . . 932 1 2 Jonathan Reizer . . . 932 1 3 Rachel Klevit . E. . 932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphocarrier_protein_HPr _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphocarrier_protein_HPr _Assembly.Entry_ID 932 _Assembly.ID 1 _Assembly.Name 'phosphocarrier protein HPr' _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 'phosphocarrier protein HPr' 1 $phosphocarrier_protein_HPr . . . . . . . . . 932 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phosphocarrier protein HPr' system 932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphocarrier_protein_HPr _Entity.Sf_category entity _Entity.Sf_framecode phosphocarrier_protein_HPr _Entity.Entry_ID 932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phosphocarrier protein HPr' _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 ; AQKTFKVTADSGIHARPATV LVQTASKYDADVNLEYNGKT VNLKSIMGVMSLGIAKGAEI TISASGADENDALNALEETM KSEGLGQ ; _Entity.Polymer_seq_one_letter_code ; AQKTFKVTADSGIHARPATV LVQTASKYDADVNLEYNGKT VNLKSIMGVMSLGIAKGAEI TISASGADENDALNALEETM KSEGLGQ ; _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 87 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KKL . "L.Casei HprkP IN COMPLEX WITH B.SUBTILIS HPR" . . . . . 100.00 100 97.70 98.85 1.52e-52 . . . . 932 1 2 no PDB 1SPH . "Refined Structures Of The Active S83c And Impaired S46d Hprs: Evidence That Phosphorylation Does Not Require A Backbone Conform" . . . . . 100.00 88 97.70 98.85 8.68e-53 . . . . 932 1 3 no PDB 2FEP . "Structure Of Truncated Ccpa In Complex With P-Ser-Hpr And Sulfate Ions" . . . . . 100.00 88 97.70 98.85 7.37e-53 . . . . 932 1 4 no PDB 2HID . "Refined Nmr Structure Of Phosphocarrier Histidine Containing Protein From Bacillus Subtilis" . . . . . 98.85 87 97.67 100.00 2.95e-52 . . . . 932 1 5 no PDB 3OQM . "Structure Of Ccpa-Hpr-Ser46p-Acka2 Complex" . . . . . 100.00 87 97.70 98.85 7.40e-53 . . . . 932 1 6 no PDB 3OQN . "Structure Of Ccpa-Hpr-Ser46-P-Gntr-Down Cre" . . . . . 100.00 87 97.70 98.85 7.40e-53 . . . . 932 1 7 no PDB 3OQO . "Ccpa-hpr-ser46p-syn Cre" . . . . . 100.00 87 97.70 98.85 7.40e-53 . . . . 932 1 8 no DBJ BAI84999 . "phosphocarrier protein HPr [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 91 98.85 100.00 1.60e-53 . . . . 932 1 9 no DBJ BAM52033 . "phosphocarrier protein HPr [Synechocystis sp. PCC 6803]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 10 no DBJ BAM57610 . "phosphocarrier protein HPr [Bacillus subtilis BEST7003]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 11 no DBJ GAK78202 . "phosphocarrier protein HPr [Bacillus subtilis Miyagi-4]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 12 no EMBL CAA31317 . "Hpr protein [Bacillus subtilis]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 13 no EMBL CAB13263 . "histidine-containing phosphocarrier protein of the phosphotransferase system (PTS) (HPr protein) [Bacillus subtilis subsp. subt" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 14 no EMBL CBI42593 . "histidine-containing phosphocarrier protein of the phosphotransferase system (PTS) (HPr protein) [Bacillus amyloliquefaciens DS" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 15 no EMBL CCF04875 . "phosphocarrier protein HPr [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 16 no EMBL CCG49324 . "phosphocarrier protein HPr [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 17 no GB ABS73730 . "PtsH [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 18 no GB ADM37477 . "phosphocarrier protein HPr [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 88 97.70 100.00 3.83e-53 . . . . 932 1 19 no GB ADP31897 . "phosphocarrier protein HPr [Bacillus atrophaeus 1942]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 20 no GB ADV96409 . "phosphocarrier protein HPr [Bacillus subtilis BSn5]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 21 no GB AEB24206 . "phosphocarrier protein HPr [Bacillus amyloliquefaciens TA208]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 22 no REF NP_389273 . "phosphocarrier protein HPr [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 23 no REF WP_003154654 . "MULTISPECIES: phosphocarrier protein HPr [Bacillales]" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 24 no REF WP_003218637 . "MULTISPECIES: phosphocarrier protein HPr [Bacillus]" . . . . . 100.00 88 97.70 100.00 3.83e-53 . . . . 932 1 25 no REF WP_010334034 . "MULTISPECIES: phosphocarrier protein HPr [Bacillus]" . . . . . 100.00 88 97.70 100.00 4.32e-53 . . . . 932 1 26 no REF WP_031600454 . "phosphocarrier protein HPr [Bacillus subtilis]" . . . . . 100.00 91 98.85 100.00 1.60e-53 . . . . 932 1 27 no SP P08877 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Bacillus subtilis subsp. subtilis str. 16" . . . . . 100.00 88 98.85 100.00 1.35e-53 . . . . 932 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phosphocarrier protein HPr' common 932 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 . ALA . 932 1 2 . GLN . 932 1 3 . LYS . 932 1 4 . THR . 932 1 5 . PHE . 932 1 6 . LYS . 932 1 7 . VAL . 932 1 8 . THR . 932 1 9 . ALA . 932 1 10 . ASP . 932 1 11 . SER . 932 1 12 . GLY . 932 1 13 . ILE . 932 1 14 . HIS . 932 1 15 . ALA . 932 1 16 . ARG . 932 1 17 . PRO . 932 1 18 . ALA . 932 1 19 . THR . 932 1 20 . VAL . 932 1 21 . LEU . 932 1 22 . VAL . 932 1 23 . GLN . 932 1 24 . THR . 932 1 25 . ALA . 932 1 26 . SER . 932 1 27 . LYS . 932 1 28 . TYR . 932 1 29 . ASP . 932 1 30 . ALA . 932 1 31 . ASP . 932 1 32 . VAL . 932 1 33 . ASN . 932 1 34 . LEU . 932 1 35 . GLU . 932 1 36 . TYR . 932 1 37 . ASN . 932 1 38 . GLY . 932 1 39 . LYS . 932 1 40 . THR . 932 1 41 . VAL . 932 1 42 . ASN . 932 1 43 . LEU . 932 1 44 . LYS . 932 1 45 . SER . 932 1 46 . ILE . 932 1 47 . MET . 932 1 48 . GLY . 932 1 49 . VAL . 932 1 50 . MET . 932 1 51 . SER . 932 1 52 . LEU . 932 1 53 . GLY . 932 1 54 . ILE . 932 1 55 . ALA . 932 1 56 . LYS . 932 1 57 . GLY . 932 1 58 . ALA . 932 1 59 . GLU . 932 1 60 . ILE . 932 1 61 . THR . 932 1 62 . ILE . 932 1 63 . SER . 932 1 64 . ALA . 932 1 65 . SER . 932 1 66 . GLY . 932 1 67 . ALA . 932 1 68 . ASP . 932 1 69 . GLU . 932 1 70 . ASN . 932 1 71 . ASP . 932 1 72 . ALA . 932 1 73 . LEU . 932 1 74 . ASN . 932 1 75 . ALA . 932 1 76 . LEU . 932 1 77 . GLU . 932 1 78 . GLU . 932 1 79 . THR . 932 1 80 . MET . 932 1 81 . LYS . 932 1 82 . SER . 932 1 83 . GLU . 932 1 84 . GLY . 932 1 85 . LEU . 932 1 86 . GLY . 932 1 87 . GLN . 932 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 932 1 . GLN 2 2 932 1 . LYS 3 3 932 1 . THR 4 4 932 1 . PHE 5 5 932 1 . LYS 6 6 932 1 . VAL 7 7 932 1 . THR 8 8 932 1 . ALA 9 9 932 1 . ASP 10 10 932 1 . SER 11 11 932 1 . GLY 12 12 932 1 . ILE 13 13 932 1 . HIS 14 14 932 1 . ALA 15 15 932 1 . ARG 16 16 932 1 . PRO 17 17 932 1 . ALA 18 18 932 1 . THR 19 19 932 1 . VAL 20 20 932 1 . LEU 21 21 932 1 . VAL 22 22 932 1 . GLN 23 23 932 1 . THR 24 24 932 1 . ALA 25 25 932 1 . SER 26 26 932 1 . LYS 27 27 932 1 . TYR 28 28 932 1 . ASP 29 29 932 1 . ALA 30 30 932 1 . ASP 31 31 932 1 . VAL 32 32 932 1 . ASN 33 33 932 1 . LEU 34 34 932 1 . GLU 35 35 932 1 . TYR 36 36 932 1 . ASN 37 37 932 1 . GLY 38 38 932 1 . LYS 39 39 932 1 . THR 40 40 932 1 . VAL 41 41 932 1 . ASN 42 42 932 1 . LEU 43 43 932 1 . LYS 44 44 932 1 . SER 45 45 932 1 . ILE 46 46 932 1 . MET 47 47 932 1 . GLY 48 48 932 1 . VAL 49 49 932 1 . MET 50 50 932 1 . SER 51 51 932 1 . LEU 52 52 932 1 . GLY 53 53 932 1 . ILE 54 54 932 1 . ALA 55 55 932 1 . LYS 56 56 932 1 . GLY 57 57 932 1 . ALA 58 58 932 1 . GLU 59 59 932 1 . ILE 60 60 932 1 . THR 61 61 932 1 . ILE 62 62 932 1 . SER 63 63 932 1 . ALA 64 64 932 1 . SER 65 65 932 1 . GLY 66 66 932 1 . ALA 67 67 932 1 . ASP 68 68 932 1 . GLU 69 69 932 1 . ASN 70 70 932 1 . ASP 71 71 932 1 . ALA 72 72 932 1 . LEU 73 73 932 1 . ASN 74 74 932 1 . ALA 75 75 932 1 . LEU 76 76 932 1 . GLU 77 77 932 1 . GLU 78 78 932 1 . THR 79 79 932 1 . MET 80 80 932 1 . LYS 81 81 932 1 . SER 82 82 932 1 . GLU 83 83 932 1 . GLY 84 84 932 1 . LEU 85 85 932 1 . GLY 86 86 932 1 . GLN 87 87 932 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 932 _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 $phosphocarrier_protein_HPr . 1423 organism . 'Bacillus subtilis' . . . Bacteria . Bacillus subtilis generic . . . . . . . . . . . . . . . . . . . . 932 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 932 _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 $phosphocarrier_protein_HPr . 'not available' 'Escherichia coli' . . . Escherichia coli TG1 . . . . . . . . . . . . . . . . . . . . . . 932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 932 _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 932 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . na 932 1 temperature 303 . K 932 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 932 _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 932 _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' . . 932 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 932 _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 . . . . . . . . . . . . . . . . 932 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 932 _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 932 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 932 _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 . 932 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.35 . . 1 . . . . . . . . 932 1 2 . 1 1 1 1 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 932 1 3 . 1 1 1 1 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 932 1 4 . 1 1 1 1 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 932 1 5 . 1 1 2 2 GLN H H 1 8.99 . . 1 . . . . . . . . 932 1 6 . 1 1 2 2 GLN HA H 1 5.73 . . 1 . . . . . . . . 932 1 7 . 1 1 2 2 GLN HB2 H 1 1.9 . . 2 . . . . . . . . 932 1 8 . 1 1 2 2 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 932 1 9 . 1 1 2 2 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 932 1 10 . 1 1 2 2 GLN HG3 H 1 2.29 . . 2 . . . . . . . . 932 1 11 . 1 1 3 3 LYS H H 1 8.97 . . 1 . . . . . . . . 932 1 12 . 1 1 3 3 LYS HA H 1 4.5 . . 1 . . . . . . . . 932 1 13 . 1 1 3 3 LYS HB2 H 1 1.55 . . 2 . . . . . . . . 932 1 14 . 1 1 3 3 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 932 1 15 . 1 1 3 3 LYS HG2 H 1 1.27 . . 2 . . . . . . . . 932 1 16 . 1 1 3 3 LYS HG3 H 1 1.29 . . 2 . . . . . . . . 932 1 17 . 1 1 3 3 LYS HD2 H 1 1.04 . . 2 . . . . . . . . 932 1 18 . 1 1 3 3 LYS HD3 H 1 1.06 . . 2 . . . . . . . . 932 1 19 . 1 1 3 3 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 932 1 20 . 1 1 3 3 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 932 1 21 . 1 1 4 4 THR H H 1 8.32 . . 1 . . . . . . . . 932 1 22 . 1 1 4 4 THR HA H 1 5.39 . . 1 . . . . . . . . 932 1 23 . 1 1 4 4 THR HB H 1 3.9 . . 1 . . . . . . . . 932 1 24 . 1 1 4 4 THR HG21 H 1 1.3 . . 1 . . . . . . . . 932 1 25 . 1 1 4 4 THR HG22 H 1 1.3 . . 1 . . . . . . . . 932 1 26 . 1 1 4 4 THR HG23 H 1 1.3 . . 1 . . . . . . . . 932 1 27 . 1 1 5 5 PHE H H 1 9.44 . . 1 . . . . . . . . 932 1 28 . 1 1 5 5 PHE HA H 1 5.03 . . 1 . . . . . . . . 932 1 29 . 1 1 5 5 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 932 1 30 . 1 1 5 5 PHE HB3 H 1 2.55 . . 2 . . . . . . . . 932 1 31 . 1 1 5 5 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 932 1 32 . 1 1 5 5 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 932 1 33 . 1 1 5 5 PHE HE1 H 1 7.22 . . 1 . . . . . . . . 932 1 34 . 1 1 5 5 PHE HE2 H 1 7.22 . . 1 . . . . . . . . 932 1 35 . 1 1 5 5 PHE HZ H 1 6.99 . . 1 . . . . . . . . 932 1 36 . 1 1 6 6 LYS H H 1 9.25 . . 1 . . . . . . . . 932 1 37 . 1 1 6 6 LYS HA H 1 5.19 . . 1 . . . . . . . . 932 1 38 . 1 1 6 6 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 932 1 39 . 1 1 6 6 LYS HB3 H 1 1.96 . . 2 . . . . . . . . 932 1 40 . 1 1 6 6 LYS HG2 H 1 1.79 . . 1 . . . . . . . . 932 1 41 . 1 1 6 6 LYS HG3 H 1 1.79 . . 1 . . . . . . . . 932 1 42 . 1 1 6 6 LYS HD2 H 1 1.46 . . 1 . . . . . . . . 932 1 43 . 1 1 6 6 LYS HD3 H 1 1.46 . . 1 . . . . . . . . 932 1 44 . 1 1 6 6 LYS HE2 H 1 3.11 . . 2 . . . . . . . . 932 1 45 . 1 1 6 6 LYS HE3 H 1 3.68 . . 2 . . . . . . . . 932 1 46 . 1 1 7 7 VAL H H 1 9.19 . . 1 . . . . . . . . 932 1 47 . 1 1 7 7 VAL HA H 1 4.47 . . 1 . . . . . . . . 932 1 48 . 1 1 7 7 VAL HB H 1 2.41 . . 1 . . . . . . . . 932 1 49 . 1 1 7 7 VAL HG11 H 1 .93 . . 2 . . . . . . . . 932 1 50 . 1 1 7 7 VAL HG12 H 1 .93 . . 2 . . . . . . . . 932 1 51 . 1 1 7 7 VAL HG13 H 1 .93 . . 2 . . . . . . . . 932 1 52 . 1 1 7 7 VAL HG21 H 1 1.06 . . 2 . . . . . . . . 932 1 53 . 1 1 7 7 VAL HG22 H 1 1.06 . . 2 . . . . . . . . 932 1 54 . 1 1 7 7 VAL HG23 H 1 1.06 . . 2 . . . . . . . . 932 1 55 . 1 1 8 8 THR H H 1 9.17 . . 1 . . . . . . . . 932 1 56 . 1 1 8 8 THR HA H 1 4.52 . . 1 . . . . . . . . 932 1 57 . 1 1 8 8 THR HB H 1 4.45 . . 1 . . . . . . . . 932 1 58 . 1 1 8 8 THR HG21 H 1 1.24 . . 1 . . . . . . . . 932 1 59 . 1 1 8 8 THR HG22 H 1 1.24 . . 1 . . . . . . . . 932 1 60 . 1 1 8 8 THR HG23 H 1 1.24 . . 1 . . . . . . . . 932 1 61 . 1 1 9 9 ALA H H 1 6.99 . . 1 . . . . . . . . 932 1 62 . 1 1 9 9 ALA HA H 1 4.44 . . 1 . . . . . . . . 932 1 63 . 1 1 9 9 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 932 1 64 . 1 1 9 9 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 932 1 65 . 1 1 9 9 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 932 1 66 . 1 1 10 10 ASP H H 1 8.86 . . 1 . . . . . . . . 932 1 67 . 1 1 10 10 ASP HA H 1 4.43 . . 1 . . . . . . . . 932 1 68 . 1 1 10 10 ASP HB2 H 1 2.8 . . 1 . . . . . . . . 932 1 69 . 1 1 10 10 ASP HB3 H 1 2.8 . . 1 . . . . . . . . 932 1 70 . 1 1 11 11 SER H H 1 8.59 . . 1 . . . . . . . . 932 1 71 . 1 1 11 11 SER HA H 1 4.61 . . 1 . . . . . . . . 932 1 72 . 1 1 11 11 SER HB2 H 1 3.98 . . 2 . . . . . . . . 932 1 73 . 1 1 11 11 SER HB3 H 1 4.04 . . 2 . . . . . . . . 932 1 74 . 1 1 12 12 GLY H H 1 7.94 . . 1 . . . . . . . . 932 1 75 . 1 1 12 12 GLY HA2 H 1 3.33 . . 2 . . . . . . . . 932 1 76 . 1 1 12 12 GLY HA3 H 1 4.51 . . 2 . . . . . . . . 932 1 77 . 1 1 13 13 ILE H H 1 7.89 . . 1 . . . . . . . . 932 1 78 . 1 1 13 13 ILE HA H 1 4.23 . . 1 . . . . . . . . 932 1 79 . 1 1 13 13 ILE HB H 1 2.07 . . 1 . . . . . . . . 932 1 80 . 1 1 13 13 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 932 1 81 . 1 1 13 13 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 932 1 82 . 1 1 13 13 ILE HG21 H 1 .67 . . 1 . . . . . . . . 932 1 83 . 1 1 13 13 ILE HG22 H 1 .67 . . 1 . . . . . . . . 932 1 84 . 1 1 13 13 ILE HG23 H 1 .67 . . 1 . . . . . . . . 932 1 85 . 1 1 13 13 ILE HD11 H 1 .66 . . 1 . . . . . . . . 932 1 86 . 1 1 13 13 ILE HD12 H 1 .66 . . 1 . . . . . . . . 932 1 87 . 1 1 13 13 ILE HD13 H 1 .66 . . 1 . . . . . . . . 932 1 88 . 1 1 14 14 HIS H H 1 6.72 . . 1 . . . . . . . . 932 1 89 . 1 1 14 14 HIS HA H 1 4.98 . . 1 . . . . . . . . 932 1 90 . 1 1 14 14 HIS HB2 H 1 3.25 . . 2 . . . . . . . . 932 1 91 . 1 1 14 14 HIS HB3 H 1 3.56 . . 2 . . . . . . . . 932 1 92 . 1 1 14 14 HIS HD1 H 1 7.25 . . 1 . . . . . . . . 932 1 93 . 1 1 14 14 HIS HD2 H 1 7.25 . . 1 . . . . . . . . 932 1 94 . 1 1 14 14 HIS HE1 H 1 7.94 . . 1 . . . . . . . . 932 1 95 . 1 1 14 14 HIS HE2 H 1 7.94 . . 1 . . . . . . . . 932 1 96 . 1 1 15 15 ALA H H 1 8.79 . . 1 . . . . . . . . 932 1 97 . 1 1 15 15 ALA HA H 1 3.92 . . 1 . . . . . . . . 932 1 98 . 1 1 15 15 ALA HB1 H 1 1.6 . . 1 . . . . . . . . 932 1 99 . 1 1 15 15 ALA HB2 H 1 1.6 . . 1 . . . . . . . . 932 1 100 . 1 1 15 15 ALA HB3 H 1 1.6 . . 1 . . . . . . . . 932 1 101 . 1 1 16 16 ARG H H 1 8.24 . . 1 . . . . . . . . 932 1 102 . 1 1 16 16 ARG HA H 1 4.34 . . 1 . . . . . . . . 932 1 103 . 1 1 16 16 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 932 1 104 . 1 1 16 16 ARG HB3 H 1 2.37 . . 2 . . . . . . . . 932 1 105 . 1 1 16 16 ARG HG2 H 1 2.01 . . 2 . . . . . . . . 932 1 106 . 1 1 16 16 ARG HG3 H 1 2.07 . . 2 . . . . . . . . 932 1 107 . 1 1 16 16 ARG HD2 H 1 2.93 . . 2 . . . . . . . . 932 1 108 . 1 1 16 16 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 932 1 109 . 1 1 17 17 PRO HA H 1 4.44 . . 1 . . . . . . . . 932 1 110 . 1 1 17 17 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 932 1 111 . 1 1 17 17 PRO HB3 H 1 2.1 . . 2 . . . . . . . . 932 1 112 . 1 1 17 17 PRO HG2 H 1 1.77 . . 2 . . . . . . . . 932 1 113 . 1 1 17 17 PRO HG3 H 1 1.87 . . 2 . . . . . . . . 932 1 114 . 1 1 17 17 PRO HD2 H 1 3.33 . . 2 . . . . . . . . 932 1 115 . 1 1 17 17 PRO HD3 H 1 3.42 . . 2 . . . . . . . . 932 1 116 . 1 1 18 18 ALA H H 1 8.11 . . 1 . . . . . . . . 932 1 117 . 1 1 18 18 ALA HA H 1 3.75 . . 1 . . . . . . . . 932 1 118 . 1 1 18 18 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 932 1 119 . 1 1 18 18 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 932 1 120 . 1 1 18 18 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 932 1 121 . 1 1 19 19 THR H H 1 8.02 . . 1 . . . . . . . . 932 1 122 . 1 1 19 19 THR HA H 1 3.82 . . 1 . . . . . . . . 932 1 123 . 1 1 19 19 THR HB H 1 4.57 . . 1 . . . . . . . . 932 1 124 . 1 1 19 19 THR HG21 H 1 1.3 . . 1 . . . . . . . . 932 1 125 . 1 1 19 19 THR HG22 H 1 1.3 . . 1 . . . . . . . . 932 1 126 . 1 1 19 19 THR HG23 H 1 1.3 . . 1 . . . . . . . . 932 1 127 . 1 1 20 20 VAL H H 1 7.49 . . 1 . . . . . . . . 932 1 128 . 1 1 20 20 VAL HA H 1 3.86 . . 1 . . . . . . . . 932 1 129 . 1 1 20 20 VAL HB H 1 2.17 . . 1 . . . . . . . . 932 1 130 . 1 1 20 20 VAL HG11 H 1 1 . . 2 . . . . . . . . 932 1 131 . 1 1 20 20 VAL HG12 H 1 1 . . 2 . . . . . . . . 932 1 132 . 1 1 20 20 VAL HG13 H 1 1 . . 2 . . . . . . . . 932 1 133 . 1 1 20 20 VAL HG21 H 1 1.05 . . 2 . . . . . . . . 932 1 134 . 1 1 20 20 VAL HG22 H 1 1.05 . . 2 . . . . . . . . 932 1 135 . 1 1 20 20 VAL HG23 H 1 1.05 . . 2 . . . . . . . . 932 1 136 . 1 1 21 21 LEU H H 1 7.93 . . 1 . . . . . . . . 932 1 137 . 1 1 21 21 LEU HA H 1 3.95 . . 1 . . . . . . . . 932 1 138 . 1 1 21 21 LEU HB2 H 1 1.4 . . 2 . . . . . . . . 932 1 139 . 1 1 21 21 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 932 1 140 . 1 1 21 21 LEU HG H 1 1.72 . . 1 . . . . . . . . 932 1 141 . 1 1 21 21 LEU HD11 H 1 .73 . . 1 . . . . . . . . 932 1 142 . 1 1 21 21 LEU HD12 H 1 .73 . . 1 . . . . . . . . 932 1 143 . 1 1 21 21 LEU HD13 H 1 .73 . . 1 . . . . . . . . 932 1 144 . 1 1 21 21 LEU HD21 H 1 .73 . . 1 . . . . . . . . 932 1 145 . 1 1 21 21 LEU HD22 H 1 .73 . . 1 . . . . . . . . 932 1 146 . 1 1 21 21 LEU HD23 H 1 .73 . . 1 . . . . . . . . 932 1 147 . 1 1 22 22 VAL H H 1 8.42 . . 1 . . . . . . . . 932 1 148 . 1 1 22 22 VAL HA H 1 4.26 . . 1 . . . . . . . . 932 1 149 . 1 1 22 22 VAL HB H 1 2.12 . . 1 . . . . . . . . 932 1 150 . 1 1 22 22 VAL HG11 H 1 .93 . . 2 . . . . . . . . 932 1 151 . 1 1 22 22 VAL HG12 H 1 .93 . . 2 . . . . . . . . 932 1 152 . 1 1 22 22 VAL HG13 H 1 .93 . . 2 . . . . . . . . 932 1 153 . 1 1 22 22 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 932 1 154 . 1 1 22 22 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 932 1 155 . 1 1 22 22 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 932 1 156 . 1 1 23 23 GLN H H 1 8.7 . . 1 . . . . . . . . 932 1 157 . 1 1 23 23 GLN HA H 1 4.1 . . 1 . . . . . . . . 932 1 158 . 1 1 23 23 GLN HB2 H 1 2.21 . . 2 . . . . . . . . 932 1 159 . 1 1 23 23 GLN HB3 H 1 2.38 . . 2 . . . . . . . . 932 1 160 . 1 1 23 23 GLN HG2 H 1 2.5 . . 2 . . . . . . . . 932 1 161 . 1 1 23 23 GLN HG3 H 1 2.67 . . 2 . . . . . . . . 932 1 162 . 1 1 24 24 THR H H 1 8.03 . . 1 . . . . . . . . 932 1 163 . 1 1 24 24 THR HA H 1 4.07 . . 1 . . . . . . . . 932 1 164 . 1 1 24 24 THR HB H 1 4.5 . . 1 . . . . . . . . 932 1 165 . 1 1 24 24 THR HG21 H 1 1.33 . . 1 . . . . . . . . 932 1 166 . 1 1 24 24 THR HG22 H 1 1.33 . . 1 . . . . . . . . 932 1 167 . 1 1 24 24 THR HG23 H 1 1.33 . . 1 . . . . . . . . 932 1 168 . 1 1 25 25 ALA H H 1 8.62 . . 1 . . . . . . . . 932 1 169 . 1 1 25 25 ALA HA H 1 4.03 . . 1 . . . . . . . . 932 1 170 . 1 1 25 25 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 932 1 171 . 1 1 25 25 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 932 1 172 . 1 1 25 25 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 932 1 173 . 1 1 26 26 SER H H 1 8.26 . . 1 . . . . . . . . 932 1 174 . 1 1 26 26 SER HA H 1 4.25 . . 1 . . . . . . . . 932 1 175 . 1 1 27 27 LYS H H 1 7.41 . . 1 . . . . . . . . 932 1 176 . 1 1 27 27 LYS HA H 1 4.08 . . 1 . . . . . . . . 932 1 177 . 1 1 27 27 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 932 1 178 . 1 1 27 27 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 932 1 179 . 1 1 27 27 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 932 1 180 . 1 1 27 27 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 932 1 181 . 1 1 27 27 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 932 1 182 . 1 1 27 27 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 932 1 183 . 1 1 28 28 TYR H H 1 7.5 . . 1 . . . . . . . . 932 1 184 . 1 1 28 28 TYR HA H 1 4.49 . . 1 . . . . . . . . 932 1 185 . 1 1 28 28 TYR HB2 H 1 2.66 . . 2 . . . . . . . . 932 1 186 . 1 1 28 28 TYR HB3 H 1 3.24 . . 2 . . . . . . . . 932 1 187 . 1 1 28 28 TYR HD1 H 1 7.35 . . 1 . . . . . . . . 932 1 188 . 1 1 28 28 TYR HD2 H 1 7.35 . . 1 . . . . . . . . 932 1 189 . 1 1 28 28 TYR HE1 H 1 6.8 . . 1 . . . . . . . . 932 1 190 . 1 1 28 28 TYR HE2 H 1 6.8 . . 1 . . . . . . . . 932 1 191 . 1 1 29 29 ASP H H 1 11.24 . . 1 . . . . . . . . 932 1 192 . 1 1 29 29 ASP HA H 1 4.57 . . 1 . . . . . . . . 932 1 193 . 1 1 29 29 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 932 1 194 . 1 1 29 29 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 932 1 195 . 1 1 30 30 ALA H H 1 9.56 . . 1 . . . . . . . . 932 1 196 . 1 1 30 30 ALA HA H 1 4.26 . . 1 . . . . . . . . 932 1 197 . 1 1 30 30 ALA HB1 H 1 1.06 . . 1 . . . . . . . . 932 1 198 . 1 1 30 30 ALA HB2 H 1 1.06 . . 1 . . . . . . . . 932 1 199 . 1 1 30 30 ALA HB3 H 1 1.06 . . 1 . . . . . . . . 932 1 200 . 1 1 31 31 ASP H H 1 8.17 . . 1 . . . . . . . . 932 1 201 . 1 1 31 31 ASP HA H 1 4.72 . . 1 . . . . . . . . 932 1 202 . 1 1 31 31 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 932 1 203 . 1 1 31 31 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 932 1 204 . 1 1 32 32 VAL H H 1 9.11 . . 1 . . . . . . . . 932 1 205 . 1 1 32 32 VAL HA H 1 5.16 . . 1 . . . . . . . . 932 1 206 . 1 1 32 32 VAL HB H 1 1.83 . . 1 . . . . . . . . 932 1 207 . 1 1 32 32 VAL HG11 H 1 .9 . . 2 . . . . . . . . 932 1 208 . 1 1 32 32 VAL HG12 H 1 .9 . . 2 . . . . . . . . 932 1 209 . 1 1 32 32 VAL HG13 H 1 .9 . . 2 . . . . . . . . 932 1 210 . 1 1 32 32 VAL HG21 H 1 .95 . . 2 . . . . . . . . 932 1 211 . 1 1 32 32 VAL HG22 H 1 .95 . . 2 . . . . . . . . 932 1 212 . 1 1 32 32 VAL HG23 H 1 .95 . . 2 . . . . . . . . 932 1 213 . 1 1 33 33 ASN H H 1 9.26 . . 1 . . . . . . . . 932 1 214 . 1 1 33 33 ASN HA H 1 5.76 . . 1 . . . . . . . . 932 1 215 . 1 1 33 33 ASN HB2 H 1 2.53 . . 2 . . . . . . . . 932 1 216 . 1 1 33 33 ASN HB3 H 1 2.62 . . 2 . . . . . . . . 932 1 217 . 1 1 34 34 LEU H H 1 9.27 . . 1 . . . . . . . . 932 1 218 . 1 1 34 34 LEU HA H 1 5.21 . . 1 . . . . . . . . 932 1 219 . 1 1 34 34 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 932 1 220 . 1 1 34 34 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 932 1 221 . 1 1 34 34 LEU HG H 1 1.6 . . 1 . . . . . . . . 932 1 222 . 1 1 34 34 LEU HD11 H 1 .85 . . 1 . . . . . . . . 932 1 223 . 1 1 34 34 LEU HD12 H 1 .85 . . 1 . . . . . . . . 932 1 224 . 1 1 34 34 LEU HD13 H 1 .85 . . 1 . . . . . . . . 932 1 225 . 1 1 34 34 LEU HD21 H 1 .85 . . 1 . . . . . . . . 932 1 226 . 1 1 34 34 LEU HD22 H 1 .85 . . 1 . . . . . . . . 932 1 227 . 1 1 34 34 LEU HD23 H 1 .85 . . 1 . . . . . . . . 932 1 228 . 1 1 35 35 GLU H H 1 9.46 . . 1 . . . . . . . . 932 1 229 . 1 1 35 35 GLU HA H 1 5.67 . . 1 . . . . . . . . 932 1 230 . 1 1 35 35 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 932 1 231 . 1 1 35 35 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 932 1 232 . 1 1 35 35 GLU HG2 H 1 2.09 . . 2 . . . . . . . . 932 1 233 . 1 1 35 35 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 932 1 234 . 1 1 36 36 TYR H H 1 9.06 . . 1 . . . . . . . . 932 1 235 . 1 1 36 36 TYR HA H 1 5.23 . . 1 . . . . . . . . 932 1 236 . 1 1 36 36 TYR HB2 H 1 2.81 . . 2 . . . . . . . . 932 1 237 . 1 1 36 36 TYR HB3 H 1 3.21 . . 2 . . . . . . . . 932 1 238 . 1 1 36 36 TYR HD1 H 1 7.35 . . 1 . . . . . . . . 932 1 239 . 1 1 36 36 TYR HD2 H 1 7.35 . . 1 . . . . . . . . 932 1 240 . 1 1 36 36 TYR HE1 H 1 7.07 . . 1 . . . . . . . . 932 1 241 . 1 1 36 36 TYR HE2 H 1 7.07 . . 1 . . . . . . . . 932 1 242 . 1 1 37 37 ASN H H 1 9.56 . . 1 . . . . . . . . 932 1 243 . 1 1 37 37 ASN HA H 1 4.29 . . 1 . . . . . . . . 932 1 244 . 1 1 37 37 ASN HB2 H 1 1.65 . . 2 . . . . . . . . 932 1 245 . 1 1 37 37 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 932 1 246 . 1 1 38 38 GLY H H 1 9.08 . . 1 . . . . . . . . 932 1 247 . 1 1 38 38 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 932 1 248 . 1 1 38 38 GLY HA3 H 1 4.22 . . 2 . . . . . . . . 932 1 249 . 1 1 39 39 LYS H H 1 8.07 . . 1 . . . . . . . . 932 1 250 . 1 1 39 39 LYS HA H 1 4.75 . . 1 . . . . . . . . 932 1 251 . 1 1 39 39 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 932 1 252 . 1 1 39 39 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 932 1 253 . 1 1 39 39 LYS HG2 H 1 1.55 . . 2 . . . . . . . . 932 1 254 . 1 1 39 39 LYS HG3 H 1 1.81 . . 2 . . . . . . . . 932 1 255 . 1 1 39 39 LYS HD2 H 1 1.49 . . 1 . . . . . . . . 932 1 256 . 1 1 39 39 LYS HD3 H 1 1.49 . . 1 . . . . . . . . 932 1 257 . 1 1 39 39 LYS HE2 H 1 3.1 . . 1 . . . . . . . . 932 1 258 . 1 1 39 39 LYS HE3 H 1 3.1 . . 1 . . . . . . . . 932 1 259 . 1 1 40 40 THR H H 1 8.45 . . 1 . . . . . . . . 932 1 260 . 1 1 40 40 THR HA H 1 5.5 . . 1 . . . . . . . . 932 1 261 . 1 1 40 40 THR HB H 1 3.93 . . 1 . . . . . . . . 932 1 262 . 1 1 40 40 THR HG21 H 1 1.15 . . 1 . . . . . . . . 932 1 263 . 1 1 40 40 THR HG22 H 1 1.15 . . 1 . . . . . . . . 932 1 264 . 1 1 40 40 THR HG23 H 1 1.15 . . 1 . . . . . . . . 932 1 265 . 1 1 41 41 VAL H H 1 9.35 . . 1 . . . . . . . . 932 1 266 . 1 1 41 41 VAL HA H 1 4.83 . . 1 . . . . . . . . 932 1 267 . 1 1 41 41 VAL HB H 1 2.26 . . 1 . . . . . . . . 932 1 268 . 1 1 41 41 VAL HG11 H 1 .9 . . 2 . . . . . . . . 932 1 269 . 1 1 41 41 VAL HG12 H 1 .9 . . 2 . . . . . . . . 932 1 270 . 1 1 41 41 VAL HG13 H 1 .9 . . 2 . . . . . . . . 932 1 271 . 1 1 41 41 VAL HG21 H 1 .99 . . 2 . . . . . . . . 932 1 272 . 1 1 41 41 VAL HG22 H 1 .99 . . 2 . . . . . . . . 932 1 273 . 1 1 41 41 VAL HG23 H 1 .99 . . 2 . . . . . . . . 932 1 274 . 1 1 42 42 ASN H H 1 8.48 . . 1 . . . . . . . . 932 1 275 . 1 1 42 42 ASN HA H 1 5.04 . . 1 . . . . . . . . 932 1 276 . 1 1 42 42 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 932 1 277 . 1 1 42 42 ASN HB3 H 1 3.06 . . 2 . . . . . . . . 932 1 278 . 1 1 42 42 ASN HD21 H 1 7.18 . . 2 . . . . . . . . 932 1 279 . 1 1 42 42 ASN HD22 H 1 7.73 . . 2 . . . . . . . . 932 1 280 . 1 1 43 43 LEU H H 1 9.05 . . 1 . . . . . . . . 932 1 281 . 1 1 43 43 LEU HA H 1 4.22 . . 1 . . . . . . . . 932 1 282 . 1 1 43 43 LEU HB2 H 1 1.18 . . 2 . . . . . . . . 932 1 283 . 1 1 43 43 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 932 1 284 . 1 1 43 43 LEU HG H 1 1.94 . . 1 . . . . . . . . 932 1 285 . 1 1 43 43 LEU HD11 H 1 .95 . . 2 . . . . . . . . 932 1 286 . 1 1 43 43 LEU HD12 H 1 .95 . . 2 . . . . . . . . 932 1 287 . 1 1 43 43 LEU HD13 H 1 .95 . . 2 . . . . . . . . 932 1 288 . 1 1 43 43 LEU HD21 H 1 .98 . . 2 . . . . . . . . 932 1 289 . 1 1 43 43 LEU HD22 H 1 .98 . . 2 . . . . . . . . 932 1 290 . 1 1 43 43 LEU HD23 H 1 .98 . . 2 . . . . . . . . 932 1 291 . 1 1 44 44 LYS H H 1 8.13 . . 1 . . . . . . . . 932 1 292 . 1 1 44 44 LYS HA H 1 4.49 . . 1 . . . . . . . . 932 1 293 . 1 1 44 44 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 932 1 294 . 1 1 44 44 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 932 1 295 . 1 1 45 45 SER H H 1 7.63 . . 1 . . . . . . . . 932 1 296 . 1 1 45 45 SER HA H 1 4.88 . . 1 . . . . . . . . 932 1 297 . 1 1 45 45 SER HB2 H 1 3.86 . . 2 . . . . . . . . 932 1 298 . 1 1 45 45 SER HB3 H 1 4.24 . . 2 . . . . . . . . 932 1 299 . 1 1 46 46 ILE H H 1 8.9 . . 1 . . . . . . . . 932 1 300 . 1 1 46 46 ILE HA H 1 3.89 . . 1 . . . . . . . . 932 1 301 . 1 1 46 46 ILE HB H 1 1.93 . . 1 . . . . . . . . 932 1 302 . 1 1 46 46 ILE HG12 H 1 1.24 . . 2 . . . . . . . . 932 1 303 . 1 1 46 46 ILE HG13 H 1 1.64 . . 2 . . . . . . . . 932 1 304 . 1 1 46 46 ILE HG21 H 1 1.04 . . 1 . . . . . . . . 932 1 305 . 1 1 46 46 ILE HG22 H 1 1.04 . . 1 . . . . . . . . 932 1 306 . 1 1 46 46 ILE HG23 H 1 1.04 . . 1 . . . . . . . . 932 1 307 . 1 1 46 46 ILE HD11 H 1 1.02 . . 1 . . . . . . . . 932 1 308 . 1 1 46 46 ILE HD12 H 1 1.02 . . 1 . . . . . . . . 932 1 309 . 1 1 46 46 ILE HD13 H 1 1.02 . . 1 . . . . . . . . 932 1 310 . 1 1 47 47 MET H H 1 8.41 . . 1 . . . . . . . . 932 1 311 . 1 1 47 47 MET HA H 1 3.72 . . 1 . . . . . . . . 932 1 312 . 1 1 47 47 MET HB2 H 1 1.09 . . 2 . . . . . . . . 932 1 313 . 1 1 47 47 MET HB3 H 1 2.26 . . 2 . . . . . . . . 932 1 314 . 1 1 48 48 GLY H H 1 8.07 . . 1 . . . . . . . . 932 1 315 . 1 1 48 48 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 932 1 316 . 1 1 48 48 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 932 1 317 . 1 1 49 49 VAL H H 1 7.93 . . 1 . . . . . . . . 932 1 318 . 1 1 49 49 VAL HA H 1 3.69 . . 1 . . . . . . . . 932 1 319 . 1 1 49 49 VAL HB H 1 2.17 . . 1 . . . . . . . . 932 1 320 . 1 1 49 49 VAL HG11 H 1 .84 . . 2 . . . . . . . . 932 1 321 . 1 1 49 49 VAL HG12 H 1 .84 . . 2 . . . . . . . . 932 1 322 . 1 1 49 49 VAL HG13 H 1 .84 . . 2 . . . . . . . . 932 1 323 . 1 1 49 49 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 932 1 324 . 1 1 49 49 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 932 1 325 . 1 1 49 49 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 932 1 326 . 1 1 50 50 MET H H 1 8.43 . . 1 . . . . . . . . 932 1 327 . 1 1 50 50 MET HA H 1 4.31 . . 1 . . . . . . . . 932 1 328 . 1 1 50 50 MET HB2 H 1 2.15 . . 1 . . . . . . . . 932 1 329 . 1 1 50 50 MET HB3 H 1 2.15 . . 1 . . . . . . . . 932 1 330 . 1 1 51 51 SER H H 1 8.11 . . 1 . . . . . . . . 932 1 331 . 1 1 51 51 SER HA H 1 4.56 . . 1 . . . . . . . . 932 1 332 . 1 1 52 52 LEU H H 1 7.26 . . 1 . . . . . . . . 932 1 333 . 1 1 52 52 LEU HA H 1 4.37 . . 1 . . . . . . . . 932 1 334 . 1 1 52 52 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 932 1 335 . 1 1 52 52 LEU HB3 H 1 2.08 . . 2 . . . . . . . . 932 1 336 . 1 1 52 52 LEU HD11 H 1 1.12 . . 1 . . . . . . . . 932 1 337 . 1 1 52 52 LEU HD12 H 1 1.12 . . 1 . . . . . . . . 932 1 338 . 1 1 52 52 LEU HD13 H 1 1.12 . . 1 . . . . . . . . 932 1 339 . 1 1 52 52 LEU HD21 H 1 1.12 . . 1 . . . . . . . . 932 1 340 . 1 1 52 52 LEU HD22 H 1 1.12 . . 1 . . . . . . . . 932 1 341 . 1 1 52 52 LEU HD23 H 1 1.12 . . 1 . . . . . . . . 932 1 342 . 1 1 53 53 GLY H H 1 7.67 . . 1 . . . . . . . . 932 1 343 . 1 1 53 53 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 932 1 344 . 1 1 53 53 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 932 1 345 . 1 1 54 54 ILE H H 1 8.78 . . 1 . . . . . . . . 932 1 346 . 1 1 54 54 ILE HA H 1 3.01 . . 1 . . . . . . . . 932 1 347 . 1 1 54 54 ILE HB H 1 1.53 . . 1 . . . . . . . . 932 1 348 . 1 1 54 54 ILE HG12 H 1 .77 . . 2 . . . . . . . . 932 1 349 . 1 1 54 54 ILE HG13 H 1 1.37 . . 2 . . . . . . . . 932 1 350 . 1 1 54 54 ILE HG21 H 1 .58 . . 1 . . . . . . . . 932 1 351 . 1 1 54 54 ILE HG22 H 1 .58 . . 1 . . . . . . . . 932 1 352 . 1 1 54 54 ILE HG23 H 1 .58 . . 1 . . . . . . . . 932 1 353 . 1 1 54 54 ILE HD11 H 1 -.08 . . 1 . . . . . . . . 932 1 354 . 1 1 54 54 ILE HD12 H 1 -.08 . . 1 . . . . . . . . 932 1 355 . 1 1 54 54 ILE HD13 H 1 -.08 . . 1 . . . . . . . . 932 1 356 . 1 1 55 55 ALA H H 1 7.8 . . 1 . . . . . . . . 932 1 357 . 1 1 55 55 ALA HA H 1 4.67 . . 1 . . . . . . . . 932 1 358 . 1 1 55 55 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 932 1 359 . 1 1 55 55 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 932 1 360 . 1 1 55 55 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 932 1 361 . 1 1 56 56 LYS H H 1 8.44 . . 1 . . . . . . . . 932 1 362 . 1 1 56 56 LYS HA H 1 3.69 . . 1 . . . . . . . . 932 1 363 . 1 1 56 56 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 932 1 364 . 1 1 56 56 LYS HB3 H 1 2.2 . . 2 . . . . . . . . 932 1 365 . 1 1 56 56 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 932 1 366 . 1 1 56 56 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 932 1 367 . 1 1 56 56 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 932 1 368 . 1 1 56 56 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 932 1 369 . 1 1 57 57 GLY H H 1 9.02 . . 1 . . . . . . . . 932 1 370 . 1 1 57 57 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 932 1 371 . 1 1 57 57 GLY HA3 H 1 4.56 . . 2 . . . . . . . . 932 1 372 . 1 1 58 58 ALA H H 1 7.85 . . 1 . . . . . . . . 932 1 373 . 1 1 58 58 ALA HA H 1 4.54 . . 1 . . . . . . . . 932 1 374 . 1 1 58 58 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 932 1 375 . 1 1 58 58 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 932 1 376 . 1 1 58 58 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 932 1 377 . 1 1 59 59 GLU H H 1 8.55 . . 1 . . . . . . . . 932 1 378 . 1 1 59 59 GLU HA H 1 5.51 . . 1 . . . . . . . . 932 1 379 . 1 1 59 59 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 932 1 380 . 1 1 59 59 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 932 1 381 . 1 1 59 59 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 932 1 382 . 1 1 59 59 GLU HG3 H 1 2.41 . . 2 . . . . . . . . 932 1 383 . 1 1 60 60 ILE H H 1 9.12 . . 1 . . . . . . . . 932 1 384 . 1 1 60 60 ILE HA H 1 5.54 . . 1 . . . . . . . . 932 1 385 . 1 1 60 60 ILE HB H 1 2 . . 1 . . . . . . . . 932 1 386 . 1 1 60 60 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 932 1 387 . 1 1 60 60 ILE HG13 H 1 1.79 . . 2 . . . . . . . . 932 1 388 . 1 1 60 60 ILE HG21 H 1 .74 . . 1 . . . . . . . . 932 1 389 . 1 1 60 60 ILE HG22 H 1 .74 . . 1 . . . . . . . . 932 1 390 . 1 1 60 60 ILE HG23 H 1 .74 . . 1 . . . . . . . . 932 1 391 . 1 1 60 60 ILE HD11 H 1 .98 . . 1 . . . . . . . . 932 1 392 . 1 1 60 60 ILE HD12 H 1 .98 . . 1 . . . . . . . . 932 1 393 . 1 1 60 60 ILE HD13 H 1 .98 . . 1 . . . . . . . . 932 1 394 . 1 1 61 61 THR H H 1 8.97 . . 1 . . . . . . . . 932 1 395 . 1 1 61 61 THR HA H 1 5.34 . . 1 . . . . . . . . 932 1 396 . 1 1 61 61 THR HB H 1 4.13 . . 1 . . . . . . . . 932 1 397 . 1 1 61 61 THR HG21 H 1 1.13 . . 1 . . . . . . . . 932 1 398 . 1 1 61 61 THR HG22 H 1 1.13 . . 1 . . . . . . . . 932 1 399 . 1 1 61 61 THR HG23 H 1 1.13 . . 1 . . . . . . . . 932 1 400 . 1 1 62 62 ILE H H 1 9.33 . . 1 . . . . . . . . 932 1 401 . 1 1 62 62 ILE HA H 1 5.15 . . 1 . . . . . . . . 932 1 402 . 1 1 62 62 ILE HB H 1 1.94 . . 1 . . . . . . . . 932 1 403 . 1 1 62 62 ILE HG12 H 1 1.08 . . 2 . . . . . . . . 932 1 404 . 1 1 62 62 ILE HG13 H 1 1.83 . . 2 . . . . . . . . 932 1 405 . 1 1 62 62 ILE HG21 H 1 .75 . . 1 . . . . . . . . 932 1 406 . 1 1 62 62 ILE HG22 H 1 .75 . . 1 . . . . . . . . 932 1 407 . 1 1 62 62 ILE HG23 H 1 .75 . . 1 . . . . . . . . 932 1 408 . 1 1 62 62 ILE HD11 H 1 .92 . . 1 . . . . . . . . 932 1 409 . 1 1 62 62 ILE HD12 H 1 .92 . . 1 . . . . . . . . 932 1 410 . 1 1 62 62 ILE HD13 H 1 .92 . . 1 . . . . . . . . 932 1 411 . 1 1 63 63 SER H H 1 9.11 . . 1 . . . . . . . . 932 1 412 . 1 1 63 63 SER HA H 1 5.56 . . 1 . . . . . . . . 932 1 413 . 1 1 63 63 SER HB2 H 1 3.81 . . 2 . . . . . . . . 932 1 414 . 1 1 63 63 SER HB3 H 1 3.91 . . 2 . . . . . . . . 932 1 415 . 1 1 64 64 ALA H H 1 9.06 . . 1 . . . . . . . . 932 1 416 . 1 1 64 64 ALA HA H 1 5.8 . . 1 . . . . . . . . 932 1 417 . 1 1 64 64 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 932 1 418 . 1 1 64 64 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 932 1 419 . 1 1 64 64 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 932 1 420 . 1 1 65 65 SER H H 1 8.78 . . 1 . . . . . . . . 932 1 421 . 1 1 65 65 SER HA H 1 5.43 . . 1 . . . . . . . . 932 1 422 . 1 1 65 65 SER HB2 H 1 3.78 . . 2 . . . . . . . . 932 1 423 . 1 1 65 65 SER HB3 H 1 3.88 . . 2 . . . . . . . . 932 1 424 . 1 1 66 66 GLY H H 1 9.96 . . 1 . . . . . . . . 932 1 425 . 1 1 66 66 GLY HA2 H 1 4.11 . . 2 . . . . . . . . 932 1 426 . 1 1 66 66 GLY HA3 H 1 4.76 . . 2 . . . . . . . . 932 1 427 . 1 1 67 67 ALA H H 1 9.2 . . 1 . . . . . . . . 932 1 428 . 1 1 67 67 ALA HA H 1 4.24 . . 1 . . . . . . . . 932 1 429 . 1 1 67 67 ALA HB1 H 1 1.6 . . 1 . . . . . . . . 932 1 430 . 1 1 67 67 ALA HB2 H 1 1.6 . . 1 . . . . . . . . 932 1 431 . 1 1 67 67 ALA HB3 H 1 1.6 . . 1 . . . . . . . . 932 1 432 . 1 1 68 68 ASP H H 1 8.2 . . 1 . . . . . . . . 932 1 433 . 1 1 68 68 ASP HA H 1 5.19 . . 1 . . . . . . . . 932 1 434 . 1 1 68 68 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 932 1 435 . 1 1 68 68 ASP HB3 H 1 3.38 . . 2 . . . . . . . . 932 1 436 . 1 1 69 69 GLU H H 1 7.52 . . 1 . . . . . . . . 932 1 437 . 1 1 69 69 GLU HA H 1 3.67 . . 1 . . . . . . . . 932 1 438 . 1 1 70 70 ASN H H 1 8.5 . . 1 . . . . . . . . 932 1 439 . 1 1 70 70 ASN HA H 1 4.49 . . 1 . . . . . . . . 932 1 440 . 1 1 70 70 ASN HB2 H 1 2.84 . . 1 . . . . . . . . 932 1 441 . 1 1 70 70 ASN HB3 H 1 2.84 . . 1 . . . . . . . . 932 1 442 . 1 1 70 70 ASN HD21 H 1 7.17 . . 2 . . . . . . . . 932 1 443 . 1 1 70 70 ASN HD22 H 1 7.82 . . 2 . . . . . . . . 932 1 444 . 1 1 71 71 ASP H H 1 7.75 . . 1 . . . . . . . . 932 1 445 . 1 1 71 71 ASP HA H 1 4.39 . . 1 . . . . . . . . 932 1 446 . 1 1 71 71 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 932 1 447 . 1 1 71 71 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 932 1 448 . 1 1 72 72 ALA H H 1 8.22 . . 1 . . . . . . . . 932 1 449 . 1 1 72 72 ALA HA H 1 2.52 . . 1 . . . . . . . . 932 1 450 . 1 1 72 72 ALA HB1 H 1 .89 . . 1 . . . . . . . . 932 1 451 . 1 1 72 72 ALA HB2 H 1 .89 . . 1 . . . . . . . . 932 1 452 . 1 1 72 72 ALA HB3 H 1 .89 . . 1 . . . . . . . . 932 1 453 . 1 1 73 73 LEU H H 1 7.72 . . 1 . . . . . . . . 932 1 454 . 1 1 73 73 LEU HA H 1 3.97 . . 1 . . . . . . . . 932 1 455 . 1 1 73 73 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 932 1 456 . 1 1 73 73 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 932 1 457 . 1 1 73 73 LEU HG H 1 1.86 . . 1 . . . . . . . . 932 1 458 . 1 1 73 73 LEU HD11 H 1 .95 . . 2 . . . . . . . . 932 1 459 . 1 1 73 73 LEU HD12 H 1 .95 . . 2 . . . . . . . . 932 1 460 . 1 1 73 73 LEU HD13 H 1 .95 . . 2 . . . . . . . . 932 1 461 . 1 1 73 73 LEU HD21 H 1 .85 . . 2 . . . . . . . . 932 1 462 . 1 1 73 73 LEU HD22 H 1 .85 . . 2 . . . . . . . . 932 1 463 . 1 1 73 73 LEU HD23 H 1 .85 . . 2 . . . . . . . . 932 1 464 . 1 1 74 74 ASN H H 1 8.12 . . 1 . . . . . . . . 932 1 465 . 1 1 74 74 ASN HA H 1 4.57 . . 1 . . . . . . . . 932 1 466 . 1 1 74 74 ASN HB2 H 1 2.94 . . 1 . . . . . . . . 932 1 467 . 1 1 74 74 ASN HB3 H 1 2.94 . . 1 . . . . . . . . 932 1 468 . 1 1 74 74 ASN HD21 H 1 6.91 . . 2 . . . . . . . . 932 1 469 . 1 1 74 74 ASN HD22 H 1 7.83 . . 2 . . . . . . . . 932 1 470 . 1 1 75 75 ALA H H 1 8.1 . . 1 . . . . . . . . 932 1 471 . 1 1 75 75 ALA HA H 1 4.32 . . 1 . . . . . . . . 932 1 472 . 1 1 75 75 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 932 1 473 . 1 1 75 75 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 932 1 474 . 1 1 75 75 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 932 1 475 . 1 1 76 76 LEU H H 1 8.44 . . 1 . . . . . . . . 932 1 476 . 1 1 76 76 LEU HA H 1 4.03 . . 1 . . . . . . . . 932 1 477 . 1 1 76 76 LEU HB2 H 1 2.08 . . 2 . . . . . . . . 932 1 478 . 1 1 76 76 LEU HB3 H 1 1.18 . . 2 . . . . . . . . 932 1 479 . 1 1 76 76 LEU HG H 1 1.78 . . 1 . . . . . . . . 932 1 480 . 1 1 76 76 LEU HD11 H 1 .89 . . 2 . . . . . . . . 932 1 481 . 1 1 76 76 LEU HD12 H 1 .89 . . 2 . . . . . . . . 932 1 482 . 1 1 76 76 LEU HD13 H 1 .89 . . 2 . . . . . . . . 932 1 483 . 1 1 76 76 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 932 1 484 . 1 1 76 76 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 932 1 485 . 1 1 76 76 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 932 1 486 . 1 1 77 77 GLU H H 1 8.72 . . 1 . . . . . . . . 932 1 487 . 1 1 77 77 GLU HA H 1 3.9 . . 1 . . . . . . . . 932 1 488 . 1 1 77 77 GLU HB2 H 1 2.33 . . 2 . . . . . . . . 932 1 489 . 1 1 77 77 GLU HB3 H 1 2.52 . . 2 . . . . . . . . 932 1 490 . 1 1 77 77 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 932 1 491 . 1 1 77 77 GLU HG3 H 1 2.48 . . 2 . . . . . . . . 932 1 492 . 1 1 78 78 GLU H H 1 8.1 . . 1 . . . . . . . . 932 1 493 . 1 1 78 78 GLU HA H 1 4.23 . . 1 . . . . . . . . 932 1 494 . 1 1 78 78 GLU HB2 H 1 2.31 . . 2 . . . . . . . . 932 1 495 . 1 1 78 78 GLU HB3 H 1 2.32 . . 2 . . . . . . . . 932 1 496 . 1 1 78 78 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 932 1 497 . 1 1 78 78 GLU HG3 H 1 2.52 . . 2 . . . . . . . . 932 1 498 . 1 1 79 79 THR H H 1 8.47 . . 1 . . . . . . . . 932 1 499 . 1 1 79 79 THR HA H 1 4.18 . . 1 . . . . . . . . 932 1 500 . 1 1 79 79 THR HB H 1 4.24 . . 1 . . . . . . . . 932 1 501 . 1 1 79 79 THR HG21 H 1 1.17 . . 1 . . . . . . . . 932 1 502 . 1 1 79 79 THR HG22 H 1 1.17 . . 1 . . . . . . . . 932 1 503 . 1 1 79 79 THR HG23 H 1 1.17 . . 1 . . . . . . . . 932 1 504 . 1 1 80 80 MET H H 1 8.44 . . 1 . . . . . . . . 932 1 505 . 1 1 80 80 MET HA H 1 3.98 . . 1 . . . . . . . . 932 1 506 . 1 1 80 80 MET HB2 H 1 1.59 . . 2 . . . . . . . . 932 1 507 . 1 1 80 80 MET HB3 H 1 2.14 . . 2 . . . . . . . . 932 1 508 . 1 1 81 81 LYS H H 1 7.82 . . 1 . . . . . . . . 932 1 509 . 1 1 81 81 LYS HA H 1 4.52 . . 1 . . . . . . . . 932 1 510 . 1 1 81 81 LYS HB2 H 1 2.11 . . 1 . . . . . . . . 932 1 511 . 1 1 81 81 LYS HB3 H 1 2.11 . . 1 . . . . . . . . 932 1 512 . 1 1 81 81 LYS HG2 H 1 1.7 . . 2 . . . . . . . . 932 1 513 . 1 1 81 81 LYS HG3 H 1 1.83 . . 2 . . . . . . . . 932 1 514 . 1 1 81 81 LYS HD2 H 1 1.91 . . 1 . . . . . . . . 932 1 515 . 1 1 81 81 LYS HD3 H 1 1.91 . . 1 . . . . . . . . 932 1 516 . 1 1 81 81 LYS HE2 H 1 3.16 . . 1 . . . . . . . . 932 1 517 . 1 1 81 81 LYS HE3 H 1 3.16 . . 1 . . . . . . . . 932 1 518 . 1 1 82 82 SER H H 1 9.3 . . 1 . . . . . . . . 932 1 519 . 1 1 82 82 SER HA H 1 4.3 . . 1 . . . . . . . . 932 1 520 . 1 1 82 82 SER HB2 H 1 4.1 . . 2 . . . . . . . . 932 1 521 . 1 1 82 82 SER HB3 H 1 4.16 . . 2 . . . . . . . . 932 1 522 . 1 1 83 83 GLU H H 1 8.26 . . 1 . . . . . . . . 932 1 523 . 1 1 83 83 GLU HA H 1 4.43 . . 1 . . . . . . . . 932 1 524 . 1 1 83 83 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 932 1 525 . 1 1 83 83 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 932 1 526 . 1 1 83 83 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 932 1 527 . 1 1 83 83 GLU HG3 H 1 2.5 . . 2 . . . . . . . . 932 1 528 . 1 1 84 84 GLY H H 1 7.84 . . 1 . . . . . . . . 932 1 529 . 1 1 84 84 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 932 1 530 . 1 1 84 84 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 932 1 531 . 1 1 85 85 LEU H H 1 8.52 . . 1 . . . . . . . . 932 1 532 . 1 1 85 85 LEU HA H 1 4.43 . . 1 . . . . . . . . 932 1 533 . 1 1 85 85 LEU HB2 H 1 1.27 . . 2 . . . . . . . . 932 1 534 . 1 1 85 85 LEU HB3 H 1 2.14 . . 2 . . . . . . . . 932 1 535 . 1 1 85 85 LEU HG H 1 1.68 . . 1 . . . . . . . . 932 1 536 . 1 1 85 85 LEU HD11 H 1 .81 . . 2 . . . . . . . . 932 1 537 . 1 1 85 85 LEU HD12 H 1 .81 . . 2 . . . . . . . . 932 1 538 . 1 1 85 85 LEU HD13 H 1 .81 . . 2 . . . . . . . . 932 1 539 . 1 1 85 85 LEU HD21 H 1 .86 . . 2 . . . . . . . . 932 1 540 . 1 1 85 85 LEU HD22 H 1 .86 . . 2 . . . . . . . . 932 1 541 . 1 1 85 85 LEU HD23 H 1 .86 . . 2 . . . . . . . . 932 1 542 . 1 1 86 86 GLY H H 1 7.38 . . 1 . . . . . . . . 932 1 543 . 1 1 86 86 GLY HA2 H 1 4.3 . . 2 . . . . . . . . 932 1 544 . 1 1 86 86 GLY HA3 H 1 4.82 . . 2 . . . . . . . . 932 1 545 . 1 1 87 87 GLN H H 1 8.56 . . 1 . . . . . . . . 932 1 546 . 1 1 87 87 GLN HA H 1 4.68 . . 1 . . . . . . . . 932 1 547 . 1 1 87 87 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 932 1 548 . 1 1 87 87 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 932 1 549 . 1 1 87 87 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 932 1 550 . 1 1 87 87 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 932 1 stop_ save_