data_4325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4325 _Entry.Title ; Characterization of Monomeric and Dimeric B-domain of Staphylococcal Protein A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-03-22 _Entry.Accession_date 1999-03-22 _Entry.Last_release_date 1999-09-13 _Entry.Original_release_date 1999-09-13 _Entry.Origination author _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 Afshin Karimi . . . 4325 2 Masazumi Matsumura . . . 4325 3 Peter Wright . E. . 4325 4 H. Dyson . Jane . 4325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 845 4325 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-09-13 1999-03-22 original author . 4325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4324 monomer 4325 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20000040 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Karimi, A., Matsumura, M., Wright, P. E., and Dyson, H. J., "Characterization of Monomeric and Dimeric B-domain of Staphylococcal Protein A," J. Pept. Res. 54, 344-352 (1999). ; _Citation.Title 'Characterization of Monomeric and Dimeric B-domain of Staphylococcal Protein A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Res.' _Citation.Journal_name_full 'Journal of Peptide Research' _Citation.Journal_volume 54 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 344 _Citation.Page_last 352 _Citation.Year 1999 _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 Afshin Karimi . . . 4325 1 2 Masazumi Matsumura . . . 4325 1 3 Peter Wright . E. . 4325 1 4 H. Dyson . Jane . 4325 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4325 1 'protein A' 4325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FB2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FB2 _Assembly.Entry_ID 4325 _Assembly.ID 1 _Assembly.Name 'dimeric B domain of protein A' _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 no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4325 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'dimeric B domain of protein A one' 1 $FB2 . . . native . . 1 . . 4325 1 2 'dimeric B domain of protein A two' 1 $FB2 . . . native . . 1 . . 4325 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'dimeric B domain of protein A' system 4325 1 FB2 abbreviation 4325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FB2 _Entity.Sf_category entity _Entity.Sf_framecode FB2 _Entity.Entry_ID 4325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dimer of B domain of protein A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADNKFNKEQQNAFYEILHL PNLNEEQRNGFIQSLKDDPS QSANLLAEAKKLNDAQAPKA DNKFNKEQQNAFYEILHLPN LNEEQRNGFIQSLKDDPSQS ANLLAEAKKLNDAQAPKADN KGS ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 4NPF . "High-resolution Structure Of Two Tandem B Domains Of Staphylococcal Protein A Connected By The Conserved Linker" . . . . . 50.41 116 98.39 100.00 1.04e-31 . . . . 4325 1 2 no EMBL CUD36484 . "immunoglobulin G binding protein A [Staphylococcus aureus]" . . . . . 71.54 303 98.86 98.86 1.74e-50 . . . . 4325 1 3 no GB ACL54840 . "truncated protein A, partial [Staphylococcus aureus]" . . . . . 55.28 281 100.00 100.00 4.17e-35 . . . . 4325 1 4 no GB EHS72728 . "gram positive anchor, partial [Staphylococcus aureus subsp. aureus IS-157]" . . . . . 61.79 287 97.37 100.00 2.53e-39 . . . . 4325 1 5 no GB EIK36223 . "hypothetical protein MQW_02849, partial [Staphylococcus aureus subsp. aureus VRS11b]" . . . . . 80.49 209 96.97 100.00 1.32e-56 . . . . 4325 1 6 no GB EUN97074 . "immunoglobulin G-binding protein A, partial [Staphylococcus aureus M0981]" . . . . . 82.11 336 97.03 100.00 1.97e-57 . . . . 4325 1 7 no GB EUO28860 . "immunoglobulin G-binding protein A, partial [Staphylococcus aureus M1057]" . . . . . 82.11 336 97.03 100.00 1.97e-57 . . . . 4325 1 8 no REF WP_031792806 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 82.11 336 97.03 100.00 1.97e-57 . . . . 4325 1 9 no REF WP_031794720 . "immunoglobulin G-binding protein A, partial [Staphylococcus aureus]" . . . . . 82.11 464 97.03 100.00 4.24e-57 . . . . 4325 1 10 no REF WP_033863190 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 52.85 308 100.00 100.00 3.33e-33 . . . . 4325 1 11 no REF WP_049280869 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 81.30 335 97.00 100.00 2.69e-56 . . . . 4325 1 12 no REF WP_049307830 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 79.67 293 96.94 100.00 3.37e-55 . . . . 4325 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dimer of B domain of protein A' common 4325 1 FB2 abbreviation 4325 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4325 1 2 . ALA . 4325 1 3 . ASP . 4325 1 4 . ASN . 4325 1 5 . LYS . 4325 1 6 . PHE . 4325 1 7 . ASN . 4325 1 8 . LYS . 4325 1 9 . GLU . 4325 1 10 . GLN . 4325 1 11 . GLN . 4325 1 12 . ASN . 4325 1 13 . ALA . 4325 1 14 . PHE . 4325 1 15 . TYR . 4325 1 16 . GLU . 4325 1 17 . ILE . 4325 1 18 . LEU . 4325 1 19 . HIS . 4325 1 20 . LEU . 4325 1 21 . PRO . 4325 1 22 . ASN . 4325 1 23 . LEU . 4325 1 24 . ASN . 4325 1 25 . GLU . 4325 1 26 . GLU . 4325 1 27 . GLN . 4325 1 28 . ARG . 4325 1 29 . ASN . 4325 1 30 . GLY . 4325 1 31 . PHE . 4325 1 32 . ILE . 4325 1 33 . GLN . 4325 1 34 . SER . 4325 1 35 . LEU . 4325 1 36 . LYS . 4325 1 37 . ASP . 4325 1 38 . ASP . 4325 1 39 . PRO . 4325 1 40 . SER . 4325 1 41 . GLN . 4325 1 42 . SER . 4325 1 43 . ALA . 4325 1 44 . ASN . 4325 1 45 . LEU . 4325 1 46 . LEU . 4325 1 47 . ALA . 4325 1 48 . GLU . 4325 1 49 . ALA . 4325 1 50 . LYS . 4325 1 51 . LYS . 4325 1 52 . LEU . 4325 1 53 . ASN . 4325 1 54 . ASP . 4325 1 55 . ALA . 4325 1 56 . GLN . 4325 1 57 . ALA . 4325 1 58 . PRO . 4325 1 59 . LYS . 4325 1 60 . ALA . 4325 1 61 . ASP . 4325 1 62 . ASN . 4325 1 63 . LYS . 4325 1 64 . PHE . 4325 1 65 . ASN . 4325 1 66 . LYS . 4325 1 67 . GLU . 4325 1 68 . GLN . 4325 1 69 . GLN . 4325 1 70 . ASN . 4325 1 71 . ALA . 4325 1 72 . PHE . 4325 1 73 . TYR . 4325 1 74 . GLU . 4325 1 75 . ILE . 4325 1 76 . LEU . 4325 1 77 . HIS . 4325 1 78 . LEU . 4325 1 79 . PRO . 4325 1 80 . ASN . 4325 1 81 . LEU . 4325 1 82 . ASN . 4325 1 83 . GLU . 4325 1 84 . GLU . 4325 1 85 . GLN . 4325 1 86 . ARG . 4325 1 87 . ASN . 4325 1 88 . GLY . 4325 1 89 . PHE . 4325 1 90 . ILE . 4325 1 91 . GLN . 4325 1 92 . SER . 4325 1 93 . LEU . 4325 1 94 . LYS . 4325 1 95 . ASP . 4325 1 96 . ASP . 4325 1 97 . PRO . 4325 1 98 . SER . 4325 1 99 . GLN . 4325 1 100 . SER . 4325 1 101 . ALA . 4325 1 102 . ASN . 4325 1 103 . LEU . 4325 1 104 . LEU . 4325 1 105 . ALA . 4325 1 106 . GLU . 4325 1 107 . ALA . 4325 1 108 . LYS . 4325 1 109 . LYS . 4325 1 110 . LEU . 4325 1 111 . ASN . 4325 1 112 . ASP . 4325 1 113 . ALA . 4325 1 114 . GLN . 4325 1 115 . ALA . 4325 1 116 . PRO . 4325 1 117 . LYS . 4325 1 118 . ALA . 4325 1 119 . ASP . 4325 1 120 . ASN . 4325 1 121 . LYS . 4325 1 122 . GLY . 4325 1 123 . SER . 4325 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4325 1 . ALA 2 2 4325 1 . ASP 3 3 4325 1 . ASN 4 4 4325 1 . LYS 5 5 4325 1 . PHE 6 6 4325 1 . ASN 7 7 4325 1 . LYS 8 8 4325 1 . GLU 9 9 4325 1 . GLN 10 10 4325 1 . GLN 11 11 4325 1 . ASN 12 12 4325 1 . ALA 13 13 4325 1 . PHE 14 14 4325 1 . TYR 15 15 4325 1 . GLU 16 16 4325 1 . ILE 17 17 4325 1 . LEU 18 18 4325 1 . HIS 19 19 4325 1 . LEU 20 20 4325 1 . PRO 21 21 4325 1 . ASN 22 22 4325 1 . LEU 23 23 4325 1 . ASN 24 24 4325 1 . GLU 25 25 4325 1 . GLU 26 26 4325 1 . GLN 27 27 4325 1 . ARG 28 28 4325 1 . ASN 29 29 4325 1 . GLY 30 30 4325 1 . PHE 31 31 4325 1 . ILE 32 32 4325 1 . GLN 33 33 4325 1 . SER 34 34 4325 1 . LEU 35 35 4325 1 . LYS 36 36 4325 1 . ASP 37 37 4325 1 . ASP 38 38 4325 1 . PRO 39 39 4325 1 . SER 40 40 4325 1 . GLN 41 41 4325 1 . SER 42 42 4325 1 . ALA 43 43 4325 1 . ASN 44 44 4325 1 . LEU 45 45 4325 1 . LEU 46 46 4325 1 . ALA 47 47 4325 1 . GLU 48 48 4325 1 . ALA 49 49 4325 1 . LYS 50 50 4325 1 . LYS 51 51 4325 1 . LEU 52 52 4325 1 . ASN 53 53 4325 1 . ASP 54 54 4325 1 . ALA 55 55 4325 1 . GLN 56 56 4325 1 . ALA 57 57 4325 1 . PRO 58 58 4325 1 . LYS 59 59 4325 1 . ALA 60 60 4325 1 . ASP 61 61 4325 1 . ASN 62 62 4325 1 . LYS 63 63 4325 1 . PHE 64 64 4325 1 . ASN 65 65 4325 1 . LYS 66 66 4325 1 . GLU 67 67 4325 1 . GLN 68 68 4325 1 . GLN 69 69 4325 1 . ASN 70 70 4325 1 . ALA 71 71 4325 1 . PHE 72 72 4325 1 . TYR 73 73 4325 1 . GLU 74 74 4325 1 . ILE 75 75 4325 1 . LEU 76 76 4325 1 . HIS 77 77 4325 1 . LEU 78 78 4325 1 . PRO 79 79 4325 1 . ASN 80 80 4325 1 . LEU 81 81 4325 1 . ASN 82 82 4325 1 . GLU 83 83 4325 1 . GLU 84 84 4325 1 . GLN 85 85 4325 1 . ARG 86 86 4325 1 . ASN 87 87 4325 1 . GLY 88 88 4325 1 . PHE 89 89 4325 1 . ILE 90 90 4325 1 . GLN 91 91 4325 1 . SER 92 92 4325 1 . LEU 93 93 4325 1 . LYS 94 94 4325 1 . ASP 95 95 4325 1 . ASP 96 96 4325 1 . PRO 97 97 4325 1 . SER 98 98 4325 1 . GLN 99 99 4325 1 . SER 100 100 4325 1 . ALA 101 101 4325 1 . ASN 102 102 4325 1 . LEU 103 103 4325 1 . LEU 104 104 4325 1 . ALA 105 105 4325 1 . GLU 106 106 4325 1 . ALA 107 107 4325 1 . LYS 108 108 4325 1 . LYS 109 109 4325 1 . LEU 110 110 4325 1 . ASN 111 111 4325 1 . ASP 112 112 4325 1 . ALA 113 113 4325 1 . GLN 114 114 4325 1 . ALA 115 115 4325 1 . PRO 116 116 4325 1 . LYS 117 117 4325 1 . ALA 118 118 4325 1 . ASP 119 119 4325 1 . ASN 120 120 4325 1 . LYS 121 121 4325 1 . GLY 122 122 4325 1 . SER 123 123 4325 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 4325 _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 $FB2 . 1280 . . 'Staphylococcus aureus' 'golden staph.' . . Eubacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 4325 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 4325 _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 $FB2 . vendor . . . . . . . . . . . . . . . . . . . . . . . . . . ; commercial construct consists of two identical B domains covalently linked. Used for binding to immunoglobulins ; . . 4325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dimer of B domain of protein A' . . . 1 $FB2 . . . 1.0 4.0 mM . . . . 4325 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 4325 _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 5.0 0.2 n/a 4325 1 temperature 303 1 K 4325 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4325 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4325 _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 NMR_spectrometer1 Bruker AMX . 500 . . . 4325 1 2 NMR_spectrometer2 Bruker AMX . 600 . . . 4325 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 4325 _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 '1H 2QF COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4325 1 2 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4325 1 3 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4325 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4325 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H 2QF COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4325 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4325 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 dioxan 'methylene protons' . . . . ppm 3.75 internal direct . internal cylindrical parallel_to_Bo . . . . . . 4325 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 4325 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 4325 1 2 . 1 1 2 2 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4325 1 3 . 1 1 2 2 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4325 1 4 . 1 1 2 2 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4325 1 5 . 1 1 2 2 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4325 1 6 . 1 1 3 3 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 4325 1 7 . 1 1 3 3 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . 4325 1 8 . 1 1 3 3 ASP HB2 H 1 2.80 0.02 . 1 . . . . . . . . 4325 1 9 . 1 1 3 3 ASP HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4325 1 10 . 1 1 4 4 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 4325 1 11 . 1 1 4 4 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4325 1 12 . 1 1 4 4 ASN HB2 H 1 2.58 0.02 . 1 . . . . . . . . 4325 1 13 . 1 1 4 4 ASN HB3 H 1 2.58 0.02 . 1 . . . . . . . . 4325 1 14 . 1 1 4 4 ASN HD21 H 1 6.87 0.02 . 2 . . . . . . . . 4325 1 15 . 1 1 4 4 ASN HD22 H 1 7.52 0.02 . 2 . . . . . . . . 4325 1 16 . 1 1 5 5 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 4325 1 17 . 1 1 5 5 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4325 1 18 . 1 1 5 5 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4325 1 19 . 1 1 5 5 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4325 1 20 . 1 1 5 5 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . 4325 1 21 . 1 1 5 5 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . 4325 1 22 . 1 1 5 5 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 4325 1 23 . 1 1 5 5 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 4325 1 24 . 1 1 5 5 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 4325 1 25 . 1 1 5 5 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 4325 1 26 . 1 1 6 6 PHE H H 1 8.13 0.02 . 1 . . . . . . . . 4325 1 27 . 1 1 6 6 PHE HA H 1 5.03 0.02 . 1 . . . . . . . . 4325 1 28 . 1 1 6 6 PHE HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4325 1 29 . 1 1 6 6 PHE HB3 H 1 3.34 0.02 . 2 . . . . . . . . 4325 1 30 . 1 1 6 6 PHE HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4325 1 31 . 1 1 6 6 PHE HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4325 1 32 . 1 1 6 6 PHE HE1 H 1 7.07 0.02 . 1 . . . . . . . . 4325 1 33 . 1 1 6 6 PHE HE2 H 1 7.07 0.02 . 1 . . . . . . . . 4325 1 34 . 1 1 7 7 ASN H H 1 8.45 0.02 . 4 . . . . . . . . 4325 1 35 . 1 1 7 7 ASN HA H 1 4.72 0.02 . 4 . . . . . . . . 4325 1 36 . 1 1 7 7 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4325 1 37 . 1 1 7 7 ASN HB3 H 1 3.28 0.02 . 2 . . . . . . . . 4325 1 38 . 1 1 7 7 ASN HD21 H 1 6.92 0.02 . 4 . . . . . . . . 4325 1 39 . 1 1 7 7 ASN HD22 H 1 7.50 0.02 . 4 . . . . . . . . 4325 1 40 . 1 1 8 8 LYS H H 1 8.36 0.02 . 4 . . . . . . . . 4325 1 41 . 1 1 8 8 LYS HA H 1 3.99 0.02 . 4 . . . . . . . . 4325 1 42 . 1 1 8 8 LYS HB2 H 1 1.83 0.02 . 4 . . . . . . . . 4325 1 43 . 1 1 8 8 LYS HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 44 . 1 1 8 8 LYS HG2 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 45 . 1 1 8 8 LYS HG3 H 1 1.53 0.02 . 4 . . . . . . . . 4325 1 46 . 1 1 8 8 LYS HD2 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 47 . 1 1 8 8 LYS HD3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 48 . 1 1 9 9 GLU H H 1 8.26 0.02 . 4 . . . . . . . . 4325 1 49 . 1 1 9 9 GLU HA H 1 4.12 0.02 . 4 . . . . . . . . 4325 1 50 . 1 1 9 9 GLU HB2 H 1 2.07 0.02 . 4 . . . . . . . . 4325 1 51 . 1 1 9 9 GLU HB3 H 1 2.13 0.02 . 4 . . . . . . . . 4325 1 52 . 1 1 9 9 GLU HG2 H 1 2.34 0.02 . 4 . . . . . . . . 4325 1 53 . 1 1 9 9 GLU HG3 H 1 2.34 0.02 . 4 . . . . . . . . 4325 1 54 . 1 1 10 10 GLN H H 1 8.51 0.02 . 4 . . . . . . . . 4325 1 55 . 1 1 10 10 GLN HA H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 56 . 1 1 10 10 GLN HB2 H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 57 . 1 1 10 10 GLN HB3 H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 58 . 1 1 10 10 GLN HG2 H 1 2.47 0.02 . 4 . . . . . . . . 4325 1 59 . 1 1 10 10 GLN HG3 H 1 2.47 0.02 . 4 . . . . . . . . 4325 1 60 . 1 1 10 10 GLN HE21 H 1 6.99 0.02 . 4 . . . . . . . . 4325 1 61 . 1 1 10 10 GLN HE22 H 1 7.29 0.02 . 4 . . . . . . . . 4325 1 62 . 1 1 11 11 GLN H H 1 8.66 0.02 . 1 . . . . . . . . 4325 1 63 . 1 1 11 11 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 4325 1 64 . 1 1 11 11 GLN HB2 H 1 2.21 0.02 . 1 . . . . . . . . 4325 1 65 . 1 1 11 11 GLN HB3 H 1 2.21 0.02 . 1 . . . . . . . . 4325 1 66 . 1 1 11 11 GLN HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4325 1 67 . 1 1 11 11 GLN HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4325 1 68 . 1 1 11 11 GLN HE21 H 1 6.83 0.02 . 2 . . . . . . . . 4325 1 69 . 1 1 11 11 GLN HE22 H 1 7.21 0.02 . 2 . . . . . . . . 4325 1 70 . 1 1 12 12 ASN H H 1 8.32 0.02 . 1 . . . . . . . . 4325 1 71 . 1 1 12 12 ASN HA H 1 4.62 0.02 . 4 . . . . . . . . 4325 1 72 . 1 1 12 12 ASN HB2 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 73 . 1 1 12 12 ASN HB3 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 74 . 1 1 12 12 ASN HD21 H 1 7.01 0.02 . 4 . . . . . . . . 4325 1 75 . 1 1 12 12 ASN HD22 H 1 7.73 0.02 . 4 . . . . . . . . 4325 1 76 . 1 1 13 13 ALA H H 1 7.95 0.02 . 4 . . . . . . . . 4325 1 77 . 1 1 13 13 ALA HA H 1 4.09 0.02 . 4 . . . . . . . . 4325 1 78 . 1 1 13 13 ALA HB1 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 79 . 1 1 13 13 ALA HB2 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 80 . 1 1 13 13 ALA HB3 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 81 . 1 1 14 14 PHE H H 1 8.17 0.02 . 4 . . . . . . . . 4325 1 82 . 1 1 14 14 PHE HA H 1 3.84 0.02 . 1 . . . . . . . . 4325 1 83 . 1 1 14 14 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4325 1 84 . 1 1 14 14 PHE HB3 H 1 3.32 0.02 . 4 . . . . . . . . 4325 1 85 . 1 1 14 14 PHE HD1 H 1 7.04 0.02 . 1 . . . . . . . . 4325 1 86 . 1 1 14 14 PHE HD2 H 1 7.04 0.02 . 1 . . . . . . . . 4325 1 87 . 1 1 14 14 PHE HE1 H 1 7.29 0.02 . 1 . . . . . . . . 4325 1 88 . 1 1 14 14 PHE HE2 H 1 7.29 0.02 . 1 . . . . . . . . 4325 1 89 . 1 1 14 14 PHE HZ H 1 7.19 0.02 . 1 . . . . . . . . 4325 1 90 . 1 1 15 15 TYR H H 1 8.13 0.02 . 4 . . . . . . . . 4325 1 91 . 1 1 15 15 TYR HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 92 . 1 1 15 15 TYR HB2 H 1 3.18 0.02 . 4 . . . . . . . . 4325 1 93 . 1 1 15 15 TYR HB3 H 1 3.18 0.02 . 4 . . . . . . . . 4325 1 94 . 1 1 15 15 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 4325 1 95 . 1 1 15 15 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 4325 1 96 . 1 1 15 15 TYR HE1 H 1 7.15 0.02 . 1 . . . . . . . . 4325 1 97 . 1 1 15 15 TYR HE2 H 1 7.15 0.02 . 1 . . . . . . . . 4325 1 98 . 1 1 16 16 GLU H H 1 8.57 0.02 . 4 . . . . . . . . 4325 1 99 . 1 1 16 16 GLU HA H 1 4.01 0.02 . 4 . . . . . . . . 4325 1 100 . 1 1 16 16 GLU HB2 H 1 2.01 0.02 . 4 . . . . . . . . 4325 1 101 . 1 1 16 16 GLU HB3 H 1 2.16 0.02 . 4 . . . . . . . . 4325 1 102 . 1 1 16 16 GLU HG2 H 1 2.26 0.02 . 4 . . . . . . . . 4325 1 103 . 1 1 16 16 GLU HG3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 104 . 1 1 17 17 ILE H H 1 8.45 0.02 . 4 . . . . . . . . 4325 1 105 . 1 1 17 17 ILE HA H 1 3.41 0.02 . 4 . . . . . . . . 4325 1 106 . 1 1 17 17 ILE HB H 1 1.80 0.02 . 4 . . . . . . . . 4325 1 107 . 1 1 17 17 ILE HG12 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 108 . 1 1 17 17 ILE HG13 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 109 . 1 1 17 17 ILE HG21 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 110 . 1 1 17 17 ILE HG22 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 111 . 1 1 17 17 ILE HG23 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 112 . 1 1 17 17 ILE HD11 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 113 . 1 1 17 17 ILE HD12 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 114 . 1 1 17 17 ILE HD13 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 115 . 1 1 18 18 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 4325 1 116 . 1 1 18 18 LEU HA H 1 3.71 0.02 . 4 . . . . . . . . 4325 1 117 . 1 1 18 18 LEU HB2 H 1 1.13 0.02 . 2 . . . . . . . . 4325 1 118 . 1 1 18 18 LEU HB3 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 119 . 1 1 18 18 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4325 1 120 . 1 1 18 18 LEU HD11 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 121 . 1 1 18 18 LEU HD12 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 122 . 1 1 18 18 LEU HD13 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 123 . 1 1 18 18 LEU HD21 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 124 . 1 1 18 18 LEU HD22 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 125 . 1 1 18 18 LEU HD23 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 126 . 1 1 19 19 HIS H H 1 7.24 0.02 . 1 . . . . . . . . 4325 1 127 . 1 1 19 19 HIS HA H 1 4.49 0.02 . 1 . . . . . . . . 4325 1 128 . 1 1 19 19 HIS HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4325 1 129 . 1 1 19 19 HIS HB3 H 1 3.46 0.02 . 4 . . . . . . . . 4325 1 130 . 1 1 19 19 HIS HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4325 1 131 . 1 1 19 19 HIS HE1 H 1 8.27 0.02 . 1 . . . . . . . . 4325 1 132 . 1 1 20 20 LEU H H 1 7.23 0.02 . 4 . . . . . . . . 4325 1 133 . 1 1 20 20 LEU HA H 1 4.50 0.02 . 4 . . . . . . . . 4325 1 134 . 1 1 20 20 LEU HB2 H 1 1.37 0.02 . 4 . . . . . . . . 4325 1 135 . 1 1 20 20 LEU HB3 H 1 1.73 0.02 . 4 . . . . . . . . 4325 1 136 . 1 1 20 20 LEU HG H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 137 . 1 1 20 20 LEU HD11 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 138 . 1 1 20 20 LEU HD12 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 139 . 1 1 20 20 LEU HD13 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 140 . 1 1 20 20 LEU HD21 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 141 . 1 1 20 20 LEU HD22 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 142 . 1 1 20 20 LEU HD23 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 143 . 1 1 21 21 PRO HA H 1 4.42 0.02 . 4 . . . . . . . . 4325 1 144 . 1 1 21 21 PRO HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 145 . 1 1 21 21 PRO HB3 H 1 2.17 0.02 . 4 . . . . . . . . 4325 1 146 . 1 1 21 21 PRO HG2 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 147 . 1 1 21 21 PRO HG3 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 148 . 1 1 21 21 PRO HD2 H 1 3.82 0.02 . 4 . . . . . . . . 4325 1 149 . 1 1 21 21 PRO HD3 H 1 4.07 0.02 . 4 . . . . . . . . 4325 1 150 . 1 1 22 22 ASN H H 1 8.87 0.02 . 4 . . . . . . . . 4325 1 151 . 1 1 22 22 ASN HA H 1 5.01 0.02 . 4 . . . . . . . . 4325 1 152 . 1 1 22 22 ASN HB2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 153 . 1 1 22 22 ASN HB3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 154 . 1 1 22 22 ASN HD21 H 1 6.99 0.02 . 2 . . . . . . . . 4325 1 155 . 1 1 22 22 ASN HD22 H 1 7.36 0.02 . 2 . . . . . . . . 4325 1 156 . 1 1 23 23 LEU H H 1 6.53 0.02 . 4 . . . . . . . . 4325 1 157 . 1 1 23 23 LEU HA H 1 4.45 0.02 . 4 . . . . . . . . 4325 1 158 . 1 1 23 23 LEU HB2 H 1 1.63 0.02 . 4 . . . . . . . . 4325 1 159 . 1 1 23 23 LEU HB3 H 1 1.71 0.02 . 4 . . . . . . . . 4325 1 160 . 1 1 23 23 LEU HG H 1 1.71 0.02 . 4 . . . . . . . . 4325 1 161 . 1 1 23 23 LEU HD11 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 162 . 1 1 23 23 LEU HD12 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 163 . 1 1 23 23 LEU HD13 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 164 . 1 1 23 23 LEU HD21 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 165 . 1 1 23 23 LEU HD22 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 166 . 1 1 23 23 LEU HD23 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 167 . 1 1 24 24 ASN H H 1 8.55 0.02 . 4 . . . . . . . . 4325 1 168 . 1 1 24 24 ASN HA H 1 4.92 0.02 . 4 . . . . . . . . 4325 1 169 . 1 1 24 24 ASN HB2 H 1 2.82 0.02 . 4 . . . . . . . . 4325 1 170 . 1 1 24 24 ASN HB3 H 1 3.29 0.02 . 4 . . . . . . . . 4325 1 171 . 1 1 24 24 ASN HD21 H 1 7.03 0.02 . 4 . . . . . . . . 4325 1 172 . 1 1 24 24 ASN HD22 H 1 7.50 0.02 . 4 . . . . . . . . 4325 1 173 . 1 1 25 25 GLU H H 1 8.62 0.02 . 4 . . . . . . . . 4325 1 174 . 1 1 25 25 GLU HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 175 . 1 1 25 25 GLU HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 176 . 1 1 25 25 GLU HB3 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 177 . 1 1 25 25 GLU HG2 H 1 2.37 0.02 . 4 . . . . . . . . 4325 1 178 . 1 1 25 25 GLU HG3 H 1 2.37 0.02 . 4 . . . . . . . . 4325 1 179 . 1 1 26 26 GLU H H 1 8.26 0.02 . 4 . . . . . . . . 4325 1 180 . 1 1 26 26 GLU HA H 1 4.07 0.02 . 4 . . . . . . . . 4325 1 181 . 1 1 26 26 GLU HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 182 . 1 1 26 26 GLU HB3 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 183 . 1 1 26 26 GLU HG2 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 184 . 1 1 26 26 GLU HG3 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 185 . 1 1 27 27 GLN H H 1 8.60 0.02 . 4 . . . . . . . . 4325 1 186 . 1 1 27 27 GLN HA H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 187 . 1 1 27 27 GLN HB2 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 188 . 1 1 27 27 GLN HB3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 189 . 1 1 27 27 GLN HG2 H 1 2.33 0.02 . 4 . . . . . . . . 4325 1 190 . 1 1 27 27 GLN HG3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 191 . 1 1 27 27 GLN HE21 H 1 7.61 0.02 . 4 . . . . . . . . 4325 1 192 . 1 1 27 27 GLN HE22 H 1 8.27 0.02 . 4 . . . . . . . . 4325 1 193 . 1 1 28 28 ARG H H 1 8.63 0.02 . 4 . . . . . . . . 4325 1 194 . 1 1 28 28 ARG HA H 1 3.78 0.02 . 4 . . . . . . . . 4325 1 195 . 1 1 28 28 ARG HB2 H 1 1.76 0.02 . 4 . . . . . . . . 4325 1 196 . 1 1 28 28 ARG HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 197 . 1 1 28 28 ARG HG2 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 198 . 1 1 28 28 ARG HG3 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 199 . 1 1 28 28 ARG HD2 H 1 3.25 0.02 . 4 . . . . . . . . 4325 1 200 . 1 1 28 28 ARG HD3 H 1 3.40 0.02 . 4 . . . . . . . . 4325 1 201 . 1 1 28 28 ARG HE H 1 7.58 0.02 . 4 . . . . . . . . 4325 1 202 . 1 1 29 29 ASN H H 1 8.63 0.02 . 4 . . . . . . . . 4325 1 203 . 1 1 29 29 ASN HA H 1 4.42 0.02 . 4 . . . . . . . . 4325 1 204 . 1 1 29 29 ASN HB2 H 1 2.80 0.02 . 4 . . . . . . . . 4325 1 205 . 1 1 29 29 ASN HB3 H 1 2.90 0.02 . 4 . . . . . . . . 4325 1 206 . 1 1 29 29 ASN HD21 H 1 6.99 0.02 . 4 . . . . . . . . 4325 1 207 . 1 1 29 29 ASN HD22 H 1 7.63 0.02 . 4 . . . . . . . . 4325 1 208 . 1 1 30 30 GLY H H 1 8.05 0.02 . 4 . . . . . . . . 4325 1 209 . 1 1 30 30 GLY HA2 H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 210 . 1 1 30 30 GLY HA3 H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 211 . 1 1 31 31 PHE H H 1 7.84 0.02 . 4 . . . . . . . . 4325 1 212 . 1 1 31 31 PHE HA H 1 4.48 0.02 . 4 . . . . . . . . 4325 1 213 . 1 1 31 31 PHE HB2 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 214 . 1 1 31 31 PHE HB3 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 215 . 1 1 31 31 PHE HD1 H 1 7.26 0.02 . 4 . . . . . . . . 4325 1 216 . 1 1 31 31 PHE HD2 H 1 7.26 0.02 . 4 . . . . . . . . 4325 1 217 . 1 1 31 31 PHE HE1 H 1 7.28 0.02 . 4 . . . . . . . . 4325 1 218 . 1 1 31 31 PHE HE2 H 1 7.28 0.02 . 4 . . . . . . . . 4325 1 219 . 1 1 31 31 PHE HZ H 1 7.15 0.02 . 4 . . . . . . . . 4325 1 220 . 1 1 32 32 ILE H H 1 8.27 0.02 . 4 . . . . . . . . 4325 1 221 . 1 1 32 32 ILE HA H 1 3.75 0.02 . 4 . . . . . . . . 4325 1 222 . 1 1 32 32 ILE HB H 1 2.13 0.02 . 4 . . . . . . . . 4325 1 223 . 1 1 32 32 ILE HG12 H 1 1.37 0.02 . 4 . . . . . . . . 4325 1 224 . 1 1 32 32 ILE HG13 H 1 1.61 0.02 . 4 . . . . . . . . 4325 1 225 . 1 1 32 32 ILE HG21 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 226 . 1 1 32 32 ILE HG22 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 227 . 1 1 32 32 ILE HG23 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 228 . 1 1 32 32 ILE HD11 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 229 . 1 1 32 32 ILE HD12 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 230 . 1 1 32 32 ILE HD13 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 231 . 1 1 33 33 GLN H H 1 8.43 0.02 . 4 . . . . . . . . 4325 1 232 . 1 1 33 33 GLN HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 233 . 1 1 33 33 GLN HB2 H 1 2.19 0.02 . 4 . . . . . . . . 4325 1 234 . 1 1 33 33 GLN HB3 H 1 2.23 0.02 . 4 . . . . . . . . 4325 1 235 . 1 1 33 33 GLN HG2 H 1 2.43 0.02 . 4 . . . . . . . . 4325 1 236 . 1 1 33 33 GLN HG3 H 1 2.43 0.02 . 4 . . . . . . . . 4325 1 237 . 1 1 33 33 GLN HE21 H 1 6.91 0.02 . 4 . . . . . . . . 4325 1 238 . 1 1 33 33 GLN HE22 H 1 7.82 0.02 . 4 . . . . . . . . 4325 1 239 . 1 1 34 34 SER H H 1 8.01 0.02 . 4 . . . . . . . . 4325 1 240 . 1 1 34 34 SER HA H 1 4.28 0.02 . 4 . . . . . . . . 4325 1 241 . 1 1 34 34 SER HB2 H 1 4.00 0.02 . 4 . . . . . . . . 4325 1 242 . 1 1 34 34 SER HB3 H 1 4.13 0.02 . 4 . . . . . . . . 4325 1 243 . 1 1 35 35 LEU H H 1 8.17 0.02 . 4 . . . . . . . . 4325 1 244 . 1 1 35 35 LEU HA H 1 3.78 0.02 . 4 . . . . . . . . 4325 1 245 . 1 1 35 35 LEU HB2 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 246 . 1 1 35 35 LEU HB3 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 247 . 1 1 35 35 LEU HG H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 248 . 1 1 35 35 LEU HD11 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 249 . 1 1 35 35 LEU HD12 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 250 . 1 1 35 35 LEU HD13 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 251 . 1 1 35 35 LEU HD21 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 252 . 1 1 35 35 LEU HD22 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 253 . 1 1 35 35 LEU HD23 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 254 . 1 1 36 36 LYS H H 1 7.99 0.02 . 4 . . . . . . . . 4325 1 255 . 1 1 36 36 LYS HA H 1 4.01 0.02 . 4 . . . . . . . . 4325 1 256 . 1 1 36 36 LYS HB2 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 257 . 1 1 36 36 LYS HB3 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 258 . 1 1 36 36 LYS HG2 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 259 . 1 1 36 36 LYS HG3 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 260 . 1 1 36 36 LYS HD2 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 261 . 1 1 36 36 LYS HD3 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 262 . 1 1 36 36 LYS HE2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 263 . 1 1 36 36 LYS HE3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 264 . 1 1 37 37 ASP H H 1 8.09 0.02 . 4 . . . . . . . . 4325 1 265 . 1 1 37 37 ASP HA H 1 4.46 0.02 . 4 . . . . . . . . 4325 1 266 . 1 1 37 37 ASP HB2 H 1 2.74 0.02 . 4 . . . . . . . . 4325 1 267 . 1 1 37 37 ASP HB3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 268 . 1 1 38 38 ASP H H 1 7.66 0.02 . 4 . . . . . . . . 4325 1 269 . 1 1 38 38 ASP HA H 1 4.96 0.02 . 4 . . . . . . . . 4325 1 270 . 1 1 38 38 ASP HB2 H 1 2.60 0.02 . 4 . . . . . . . . 4325 1 271 . 1 1 38 38 ASP HB3 H 1 3.01 0.02 . 4 . . . . . . . . 4325 1 272 . 1 1 39 39 PRO HA H 1 4.51 0.02 . 4 . . . . . . . . 4325 1 273 . 1 1 39 39 PRO HB2 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 274 . 1 1 39 39 PRO HB3 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 275 . 1 1 39 39 PRO HG2 H 1 2.12 0.02 . 4 . . . . . . . . 4325 1 276 . 1 1 39 39 PRO HG3 H 1 2.26 0.02 . 4 . . . . . . . . 4325 1 277 . 1 1 39 39 PRO HD2 H 1 3.69 0.02 . 4 . . . . . . . . 4325 1 278 . 1 1 39 39 PRO HD3 H 1 3.88 0.02 . 4 . . . . . . . . 4325 1 279 . 1 1 40 40 SER H H 1 8.08 0.02 . 4 . . . . . . . . 4325 1 280 . 1 1 40 40 SER HA H 1 4.31 0.02 . 4 . . . . . . . . 4325 1 281 . 1 1 40 40 SER HB2 H 1 3.98 0.02 . 4 . . . . . . . . 4325 1 282 . 1 1 40 40 SER HB3 H 1 4.04 0.02 . 4 . . . . . . . . 4325 1 283 . 1 1 41 41 GLN H H 1 7.87 0.02 . 4 . . . . . . . . 4325 1 284 . 1 1 41 41 GLN HA H 1 4.61 0.02 . 4 . . . . . . . . 4325 1 285 . 1 1 41 41 GLN HB2 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 286 . 1 1 41 41 GLN HB3 H 1 2.65 0.02 . 4 . . . . . . . . 4325 1 287 . 1 1 41 41 GLN HG2 H 1 2.33 0.02 . 4 . . . . . . . . 4325 1 288 . 1 1 41 41 GLN HG3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 289 . 1 1 41 41 GLN HE21 H 1 6.86 0.02 . 4 . . . . . . . . 4325 1 290 . 1 1 41 41 GLN HE22 H 1 7.58 0.02 . 4 . . . . . . . . 4325 1 291 . 1 1 42 42 SER H H 1 7.77 0.02 . 4 . . . . . . . . 4325 1 292 . 1 1 42 42 SER HA H 1 3.73 0.02 . 4 . . . . . . . . 4325 1 293 . 1 1 42 42 SER HB2 H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 294 . 1 1 42 42 SER HB3 H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 295 . 1 1 43 43 ALA H H 1 8.48 0.02 . 4 . . . . . . . . 4325 1 296 . 1 1 43 43 ALA HA H 1 4.13 0.02 . 4 . . . . . . . . 4325 1 297 . 1 1 43 43 ALA HB1 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 298 . 1 1 43 43 ALA HB2 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 299 . 1 1 43 43 ALA HB3 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 300 . 1 1 44 44 ASN H H 1 7.91 0.02 . 4 . . . . . . . . 4325 1 301 . 1 1 44 44 ASN HA H 1 4.53 0.02 . 4 . . . . . . . . 4325 1 302 . 1 1 44 44 ASN HB2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 303 . 1 1 44 44 ASN HB3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 304 . 1 1 44 44 ASN HD21 H 1 6.98 0.02 . 4 . . . . . . . . 4325 1 305 . 1 1 44 44 ASN HD22 H 1 7.76 0.02 . 4 . . . . . . . . 4325 1 306 . 1 1 45 45 LEU H H 1 8.58 0.02 . 4 . . . . . . . . 4325 1 307 . 1 1 45 45 LEU HA H 1 4.16 0.02 . 4 . . . . . . . . 4325 1 308 . 1 1 45 45 LEU HB2 H 1 1.27 0.02 . 4 . . . . . . . . 4325 1 309 . 1 1 45 45 LEU HB3 H 1 1.80 0.02 . 4 . . . . . . . . 4325 1 310 . 1 1 45 45 LEU HG H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 311 . 1 1 45 45 LEU HD11 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 312 . 1 1 45 45 LEU HD12 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 313 . 1 1 45 45 LEU HD13 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 314 . 1 1 45 45 LEU HD21 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 315 . 1 1 45 45 LEU HD22 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 316 . 1 1 45 45 LEU HD23 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 317 . 1 1 46 46 LEU H H 1 8.41 0.02 . 4 . . . . . . . . 4325 1 318 . 1 1 46 46 LEU HA H 1 3.81 0.02 . 4 . . . . . . . . 4325 1 319 . 1 1 46 46 LEU HB2 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 320 . 1 1 46 46 LEU HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 321 . 1 1 46 46 LEU HG H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 322 . 1 1 46 46 LEU HD11 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 323 . 1 1 46 46 LEU HD12 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 324 . 1 1 46 46 LEU HD13 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 325 . 1 1 46 46 LEU HD21 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 326 . 1 1 46 46 LEU HD22 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 327 . 1 1 46 46 LEU HD23 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 328 . 1 1 47 47 ALA H H 1 7.61 0.02 . 4 . . . . . . . . 4325 1 329 . 1 1 47 47 ALA HA H 1 4.03 0.02 . 4 . . . . . . . . 4325 1 330 . 1 1 47 47 ALA HB1 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 331 . 1 1 47 47 ALA HB2 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 332 . 1 1 47 47 ALA HB3 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 333 . 1 1 48 48 GLU H H 1 8.07 0.02 . 4 . . . . . . . . 4325 1 334 . 1 1 48 48 GLU HA H 1 4.02 0.02 . 4 . . . . . . . . 4325 1 335 . 1 1 48 48 GLU HB2 H 1 2.24 0.02 . 4 . . . . . . . . 4325 1 336 . 1 1 48 48 GLU HB3 H 1 2.29 0.02 . 4 . . . . . . . . 4325 1 337 . 1 1 48 48 GLU HG2 H 1 2.51 0.02 . 4 . . . . . . . . 4325 1 338 . 1 1 48 48 GLU HG3 H 1 2.58 0.02 . 4 . . . . . . . . 4325 1 339 . 1 1 49 49 ALA H H 1 8.41 0.02 . 4 . . . . . . . . 4325 1 340 . 1 1 49 49 ALA HA H 1 3.48 0.02 . 4 . . . . . . . . 4325 1 341 . 1 1 49 49 ALA HB1 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 342 . 1 1 49 49 ALA HB2 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 343 . 1 1 49 49 ALA HB3 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 344 . 1 1 50 50 LYS H H 1 8.49 0.02 . 4 . . . . . . . . 4325 1 345 . 1 1 50 50 LYS HA H 1 3.76 0.02 . 4 . . . . . . . . 4325 1 346 . 1 1 50 50 LYS HB2 H 1 1.78 0.02 . 4 . . . . . . . . 4325 1 347 . 1 1 50 50 LYS HB3 H 1 1.94 0.02 . 4 . . . . . . . . 4325 1 348 . 1 1 50 50 LYS HG2 H 1 1.29 0.02 . 4 . . . . . . . . 4325 1 349 . 1 1 50 50 LYS HG3 H 1 1.29 0.02 . 4 . . . . . . . . 4325 1 350 . 1 1 50 50 LYS HD2 H 1 1.59 0.02 . 4 . . . . . . . . 4325 1 351 . 1 1 50 50 LYS HD3 H 1 1.59 0.02 . 4 . . . . . . . . 4325 1 352 . 1 1 50 50 LYS HE2 H 1 2.82 0.02 . 4 . . . . . . . . 4325 1 353 . 1 1 50 50 LYS HE3 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 354 . 1 1 51 51 LYS H H 1 7.71 0.02 . 4 . . . . . . . . 4325 1 355 . 1 1 51 51 LYS HA H 1 4.11 0.02 . 4 . . . . . . . . 4325 1 356 . 1 1 51 51 LYS HB2 H 1 1.96 0.02 . 4 . . . . . . . . 4325 1 357 . 1 1 51 51 LYS HB3 H 1 1.96 0.02 . 4 . . . . . . . . 4325 1 358 . 1 1 51 51 LYS HG2 H 1 1.42 0.02 . 4 . . . . . . . . 4325 1 359 . 1 1 51 51 LYS HG3 H 1 1.42 0.02 . 4 . . . . . . . . 4325 1 360 . 1 1 51 51 LYS HD2 H 1 1.62 0.02 . 4 . . . . . . . . 4325 1 361 . 1 1 51 51 LYS HD3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 362 . 1 1 51 51 LYS HE2 H 1 2.94 0.02 . 4 . . . . . . . . 4325 1 363 . 1 1 51 51 LYS HE3 H 1 2.94 0.02 . 4 . . . . . . . . 4325 1 364 . 1 1 52 52 LEU H H 1 7.94 0.02 . 4 . . . . . . . . 4325 1 365 . 1 1 52 52 LEU HA H 1 4.18 0.02 . 4 . . . . . . . . 4325 1 366 . 1 1 52 52 LEU HB2 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 367 . 1 1 52 52 LEU HB3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 368 . 1 1 52 52 LEU HG H 1 1.58 0.02 . 4 . . . . . . . . 4325 1 369 . 1 1 52 52 LEU HD11 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 370 . 1 1 52 52 LEU HD12 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 371 . 1 1 52 52 LEU HD13 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 372 . 1 1 52 52 LEU HD21 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 373 . 1 1 52 52 LEU HD22 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 374 . 1 1 52 52 LEU HD23 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 375 . 1 1 53 53 ASN H H 1 8.57 0.02 . 4 . . . . . . . . 4325 1 376 . 1 1 53 53 ASN HA H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 377 . 1 1 53 53 ASN HB2 H 1 2.41 0.02 . 4 . . . . . . . . 4325 1 378 . 1 1 53 53 ASN HB3 H 1 3.12 0.02 . 4 . . . . . . . . 4325 1 379 . 1 1 53 53 ASN HD21 H 1 6.86 0.02 . 4 . . . . . . . . 4325 1 380 . 1 1 53 53 ASN HD22 H 1 7.94 0.02 . 4 . . . . . . . . 4325 1 381 . 1 1 54 54 ASP H H 1 8.27 0.02 . 4 . . . . . . . . 4325 1 382 . 1 1 54 54 ASP HA H 1 4.47 0.02 . 4 . . . . . . . . 4325 1 383 . 1 1 54 54 ASP HB2 H 1 2.73 0.02 . 4 . . . . . . . . 4325 1 384 . 1 1 54 54 ASP HB3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 385 . 1 1 55 55 ALA H H 1 8.03 0.02 . 4 . . . . . . . . 4325 1 386 . 1 1 55 55 ALA HA H 1 4.26 0.02 . 4 . . . . . . . . 4325 1 387 . 1 1 55 55 ALA HB1 H 1 1.60 0.02 . 4 . . . . . . . . 4325 1 388 . 1 1 55 55 ALA HB2 H 1 1.60 0.02 . 4 . . . . . . . . 4325 1 389 . 1 1 55 55 ALA HB3 H 1 1.60 0.02 . 4 . . . . . . . . 4325 1 390 . 1 1 56 56 GLN H H 1 7.54 0.02 . 4 . . . . . . . . 4325 1 391 . 1 1 56 56 GLN HA H 1 4.38 0.02 . 4 . . . . . . . . 4325 1 392 . 1 1 56 56 GLN HB2 H 1 1.83 0.02 . 4 . . . . . . . . 4325 1 393 . 1 1 56 56 GLN HB3 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 394 . 1 1 56 56 GLN HG2 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 395 . 1 1 56 56 GLN HG3 H 1 2.65 0.02 . 4 . . . . . . . . 4325 1 396 . 1 1 56 56 GLN HE21 H 1 7.27 0.02 . 4 . . . . . . . . 4325 1 397 . 1 1 56 56 GLN HE22 H 1 8.69 0.02 . 4 . . . . . . . . 4325 1 398 . 1 1 57 57 ALA H H 1 7.15 0.02 . 4 . . . . . . . . 4325 1 399 . 1 1 57 57 ALA HA H 1 4.37 0.02 . 4 . . . . . . . . 4325 1 400 . 1 1 57 57 ALA HB1 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 401 . 1 1 57 57 ALA HB2 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 402 . 1 1 57 57 ALA HB3 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 403 . 1 1 58 58 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4325 1 404 . 1 1 58 58 PRO HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4325 1 405 . 1 1 58 58 PRO HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4325 1 406 . 1 1 58 58 PRO HG2 H 1 2.08 0.02 . 4 . . . . . . . . 4325 1 407 . 1 1 58 58 PRO HG3 H 1 2.08 0.02 . 4 . . . . . . . . 4325 1 408 . 1 1 58 58 PRO HD2 H 1 3.63 0.02 . 4 . . . . . . . . 4325 1 409 . 1 1 58 58 PRO HD3 H 1 3.79 0.02 . 4 . . . . . . . . 4325 1 410 . 1 1 59 59 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 4325 1 411 . 1 1 59 59 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 4325 1 412 . 1 1 59 59 LYS HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4325 1 413 . 1 1 59 59 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4325 1 414 . 1 1 59 59 LYS HG2 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 415 . 1 1 59 59 LYS HG3 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 416 . 1 1 59 59 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4325 1 417 . 1 1 59 59 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4325 1 418 . 1 1 59 59 LYS HE2 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 419 . 1 1 59 59 LYS HE3 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 420 . 1 1 60 60 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4325 1 421 . 1 1 60 60 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 4325 1 422 . 1 1 60 60 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 4325 1 423 . 1 1 60 60 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 4325 1 424 . 1 1 60 60 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 4325 1 425 . 1 1 61 61 ASP H H 1 7.90 0.02 . 1 . . . . . . . . 4325 1 426 . 1 1 61 61 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4325 1 427 . 1 1 61 61 ASP HB2 H 1 2.41 0.02 . 1 . . . . . . . . 4325 1 428 . 1 1 61 61 ASP HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4325 1 429 . 1 1 62 62 ASN H H 1 8.26 0.02 . 1 . . . . . . . . 4325 1 430 . 1 1 62 62 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 4325 1 431 . 1 1 62 62 ASN HB2 H 1 2.66 0.02 . 1 . . . . . . . . 4325 1 432 . 1 1 62 62 ASN HB3 H 1 2.66 0.02 . 1 . . . . . . . . 4325 1 433 . 1 1 63 63 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 4325 1 434 . 1 1 63 63 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4325 1 435 . 1 1 63 63 LYS HB2 H 1 1.69 0.02 . 1 . . . . . . . . 4325 1 436 . 1 1 63 63 LYS HB3 H 1 1.69 0.02 . 1 . . . . . . . . 4325 1 437 . 1 1 63 63 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 4325 1 438 . 1 1 63 63 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 4325 1 439 . 1 1 63 63 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 4325 1 440 . 1 1 63 63 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 4325 1 441 . 1 1 64 64 PHE H H 1 7.94 0.02 . 1 . . . . . . . . 4325 1 442 . 1 1 64 64 PHE HA H 1 5.02 0.02 . 1 . . . . . . . . 4325 1 443 . 1 1 64 64 PHE HB2 H 1 3.10 0.02 . 1 . . . . . . . . 4325 1 444 . 1 1 64 64 PHE HB3 H 1 3.37 0.02 . 1 . . . . . . . . 4325 1 445 . 1 1 64 64 PHE HD1 H 1 7.12 0.02 . 1 . . . . . . . . 4325 1 446 . 1 1 64 64 PHE HD2 H 1 7.12 0.02 . 1 . . . . . . . . 4325 1 447 . 1 1 64 64 PHE HE1 H 1 7.02 0.02 . 1 . . . . . . . . 4325 1 448 . 1 1 64 64 PHE HE2 H 1 7.02 0.02 . 1 . . . . . . . . 4325 1 449 . 1 1 65 65 ASN H H 1 8.45 0.02 . 4 . . . . . . . . 4325 1 450 . 1 1 65 65 ASN HA H 1 4.72 0.02 . 4 . . . . . . . . 4325 1 451 . 1 1 65 65 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4325 1 452 . 1 1 65 65 ASN HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4325 1 453 . 1 1 65 65 ASN HD21 H 1 6.92 0.02 . 4 . . . . . . . . 4325 1 454 . 1 1 65 65 ASN HD22 H 1 7.50 0.02 . 4 . . . . . . . . 4325 1 455 . 1 1 66 66 LYS H H 1 8.36 0.02 . 4 . . . . . . . . 4325 1 456 . 1 1 66 66 LYS HA H 1 3.99 0.02 . 4 . . . . . . . . 4325 1 457 . 1 1 66 66 LYS HB2 H 1 1.83 0.02 . 4 . . . . . . . . 4325 1 458 . 1 1 66 66 LYS HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 459 . 1 1 66 66 LYS HG2 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 460 . 1 1 66 66 LYS HG3 H 1 1.53 0.02 . 4 . . . . . . . . 4325 1 461 . 1 1 66 66 LYS HD2 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 462 . 1 1 66 66 LYS HD3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 463 . 1 1 67 67 GLU H H 1 8.26 0.02 . 4 . . . . . . . . 4325 1 464 . 1 1 67 67 GLU HA H 1 4.12 0.02 . 4 . . . . . . . . 4325 1 465 . 1 1 67 67 GLU HB2 H 1 2.07 0.02 . 4 . . . . . . . . 4325 1 466 . 1 1 67 67 GLU HB3 H 1 2.13 0.02 . 4 . . . . . . . . 4325 1 467 . 1 1 67 67 GLU HG2 H 1 2.34 0.02 . 4 . . . . . . . . 4325 1 468 . 1 1 67 67 GLU HG3 H 1 2.34 0.02 . 4 . . . . . . . . 4325 1 469 . 1 1 68 68 GLN H H 1 8.51 0.02 . 4 . . . . . . . . 4325 1 470 . 1 1 68 68 GLN HA H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 471 . 1 1 68 68 GLN HB2 H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 472 . 1 1 68 68 GLN HB3 H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 473 . 1 1 68 68 GLN HG2 H 1 2.47 0.02 . 4 . . . . . . . . 4325 1 474 . 1 1 68 68 GLN HG3 H 1 2.47 0.02 . 4 . . . . . . . . 4325 1 475 . 1 1 68 68 GLN HE21 H 1 6.99 0.02 . 4 . . . . . . . . 4325 1 476 . 1 1 68 68 GLN HE22 H 1 7.29 0.02 . 4 . . . . . . . . 4325 1 477 . 1 1 69 69 GLN H H 1 8.68 0.02 . 1 . . . . . . . . 4325 1 478 . 1 1 69 69 GLN HA H 1 3.97 0.02 . 1 . . . . . . . . 4325 1 479 . 1 1 69 69 GLN HB2 H 1 2.23 0.02 . 1 . . . . . . . . 4325 1 480 . 1 1 69 69 GLN HB3 H 1 2.23 0.02 . 1 . . . . . . . . 4325 1 481 . 1 1 69 69 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4325 1 482 . 1 1 69 69 GLN HG3 H 1 2.51 0.02 . 2 . . . . . . . . 4325 1 483 . 1 1 69 69 GLN HE21 H 1 6.85 0.02 . 2 . . . . . . . . 4325 1 484 . 1 1 69 69 GLN HE22 H 1 7.21 0.02 . 4 . . . . . . . . 4325 1 485 . 1 1 70 70 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 4325 1 486 . 1 1 70 70 ASN HA H 1 4.62 0.02 . 4 . . . . . . . . 4325 1 487 . 1 1 70 70 ASN HB2 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 488 . 1 1 70 70 ASN HB3 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 489 . 1 1 70 70 ASN HD21 H 1 7.01 0.02 . 4 . . . . . . . . 4325 1 490 . 1 1 70 70 ASN HD22 H 1 7.73 0.02 . 4 . . . . . . . . 4325 1 491 . 1 1 71 71 ALA H H 1 7.95 0.02 . 4 . . . . . . . . 4325 1 492 . 1 1 71 71 ALA HA H 1 4.09 0.02 . 4 . . . . . . . . 4325 1 493 . 1 1 71 71 ALA HB1 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 494 . 1 1 71 71 ALA HB2 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 495 . 1 1 71 71 ALA HB3 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 496 . 1 1 72 72 PHE H H 1 8.17 0.02 . 4 . . . . . . . . 4325 1 497 . 1 1 72 72 PHE HA H 1 3.82 0.02 . 1 . . . . . . . . 4325 1 498 . 1 1 72 72 PHE HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4325 1 499 . 1 1 72 72 PHE HB3 H 1 3.32 0.02 . 4 . . . . . . . . 4325 1 500 . 1 1 72 72 PHE HD1 H 1 6.97 0.02 . 1 . . . . . . . . 4325 1 501 . 1 1 72 72 PHE HD2 H 1 6.97 0.02 . 1 . . . . . . . . 4325 1 502 . 1 1 72 72 PHE HE1 H 1 7.23 0.02 . 1 . . . . . . . . 4325 1 503 . 1 1 72 72 PHE HE2 H 1 7.23 0.02 . 1 . . . . . . . . 4325 1 504 . 1 1 72 72 PHE HZ H 1 7.15 0.02 . 1 . . . . . . . . 4325 1 505 . 1 1 73 73 TYR H H 1 8.13 0.02 . 4 . . . . . . . . 4325 1 506 . 1 1 73 73 TYR HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 507 . 1 1 73 73 TYR HB2 H 1 3.18 0.02 . 4 . . . . . . . . 4325 1 508 . 1 1 73 73 TYR HB3 H 1 3.18 0.02 . 4 . . . . . . . . 4325 1 509 . 1 1 73 73 TYR HD1 H 1 6.76 0.02 . 1 . . . . . . . . 4325 1 510 . 1 1 73 73 TYR HD2 H 1 6.76 0.02 . 1 . . . . . . . . 4325 1 511 . 1 1 73 73 TYR HE1 H 1 7.18 0.02 . 1 . . . . . . . . 4325 1 512 . 1 1 73 73 TYR HE2 H 1 7.18 0.02 . 1 . . . . . . . . 4325 1 513 . 1 1 74 74 GLU H H 1 8.57 0.02 . 4 . . . . . . . . 4325 1 514 . 1 1 74 74 GLU HA H 1 4.01 0.02 . 4 . . . . . . . . 4325 1 515 . 1 1 74 74 GLU HB2 H 1 2.01 0.02 . 4 . . . . . . . . 4325 1 516 . 1 1 74 74 GLU HB3 H 1 2.16 0.02 . 4 . . . . . . . . 4325 1 517 . 1 1 74 74 GLU HG2 H 1 2.26 0.02 . 4 . . . . . . . . 4325 1 518 . 1 1 74 74 GLU HG3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 519 . 1 1 75 75 ILE H H 1 8.45 0.02 . 4 . . . . . . . . 4325 1 520 . 1 1 75 75 ILE HA H 1 3.41 0.02 . 4 . . . . . . . . 4325 1 521 . 1 1 75 75 ILE HB H 1 1.80 0.02 . 4 . . . . . . . . 4325 1 522 . 1 1 75 75 ILE HG12 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 523 . 1 1 75 75 ILE HG13 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 524 . 1 1 75 75 ILE HG21 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 525 . 1 1 75 75 ILE HG22 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 526 . 1 1 75 75 ILE HG23 H 1 0.78 0.02 . 4 . . . . . . . . 4325 1 527 . 1 1 75 75 ILE HD11 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 528 . 1 1 75 75 ILE HD12 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 529 . 1 1 75 75 ILE HD13 H 1 0.51 0.02 . 4 . . . . . . . . 4325 1 530 . 1 1 76 76 LEU H H 1 7.91 0.02 . 1 . . . . . . . . 4325 1 531 . 1 1 76 76 LEU HA H 1 3.71 0.02 . 4 . . . . . . . . 4325 1 532 . 1 1 76 76 LEU HB2 H 1 1.18 0.02 . 2 . . . . . . . . 4325 1 533 . 1 1 76 76 LEU HB3 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 534 . 1 1 76 76 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 4325 1 535 . 1 1 76 76 LEU HD11 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 536 . 1 1 76 76 LEU HD12 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 537 . 1 1 76 76 LEU HD13 H 1 0.58 0.02 . 4 . . . . . . . . 4325 1 538 . 1 1 76 76 LEU HD21 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 539 . 1 1 76 76 LEU HD22 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 540 . 1 1 76 76 LEU HD23 H 1 0.67 0.02 . 4 . . . . . . . . 4325 1 541 . 1 1 77 77 HIS H H 1 7.28 0.02 . 1 . . . . . . . . 4325 1 542 . 1 1 77 77 HIS HA H 1 4.52 0.02 . 1 . . . . . . . . 4325 1 543 . 1 1 77 77 HIS HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4325 1 544 . 1 1 77 77 HIS HB3 H 1 3.46 0.02 . 4 . . . . . . . . 4325 1 545 . 1 1 77 77 HIS HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4325 1 546 . 1 1 77 77 HIS HE1 H 1 8.29 0.02 . 1 . . . . . . . . 4325 1 547 . 1 1 78 78 LEU H H 1 7.23 0.02 . 4 . . . . . . . . 4325 1 548 . 1 1 78 78 LEU HA H 1 4.50 0.02 . 4 . . . . . . . . 4325 1 549 . 1 1 78 78 LEU HB2 H 1 1.37 0.02 . 4 . . . . . . . . 4325 1 550 . 1 1 78 78 LEU HB3 H 1 1.73 0.02 . 4 . . . . . . . . 4325 1 551 . 1 1 78 78 LEU HG H 1 2.21 0.02 . 4 . . . . . . . . 4325 1 552 . 1 1 78 78 LEU HD11 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 553 . 1 1 78 78 LEU HD12 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 554 . 1 1 78 78 LEU HD13 H 1 0.68 0.02 . 4 . . . . . . . . 4325 1 555 . 1 1 78 78 LEU HD21 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 556 . 1 1 78 78 LEU HD22 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 557 . 1 1 78 78 LEU HD23 H 1 0.87 0.02 . 4 . . . . . . . . 4325 1 558 . 1 1 79 79 PRO HA H 1 4.42 0.02 . 4 . . . . . . . . 4325 1 559 . 1 1 79 79 PRO HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 560 . 1 1 79 79 PRO HB3 H 1 2.17 0.02 . 4 . . . . . . . . 4325 1 561 . 1 1 79 79 PRO HG2 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 562 . 1 1 79 79 PRO HG3 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 563 . 1 1 79 79 PRO HD2 H 1 3.82 0.02 . 4 . . . . . . . . 4325 1 564 . 1 1 79 79 PRO HD3 H 1 4.07 0.02 . 4 . . . . . . . . 4325 1 565 . 1 1 80 80 ASN H H 1 8.87 0.02 . 4 . . . . . . . . 4325 1 566 . 1 1 80 80 ASN HA H 1 5.01 0.02 . 4 . . . . . . . . 4325 1 567 . 1 1 80 80 ASN HB2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 568 . 1 1 80 80 ASN HB3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 569 . 1 1 80 80 ASN HD21 H 1 7.00 0.02 . 2 . . . . . . . . 4325 1 570 . 1 1 80 80 ASN HD22 H 1 7.40 0.02 . 2 . . . . . . . . 4325 1 571 . 1 1 81 81 LEU H H 1 6.53 0.02 . 4 . . . . . . . . 4325 1 572 . 1 1 81 81 LEU HA H 1 4.45 0.02 . 4 . . . . . . . . 4325 1 573 . 1 1 81 81 LEU HB2 H 1 1.63 0.02 . 4 . . . . . . . . 4325 1 574 . 1 1 81 81 LEU HB3 H 1 1.71 0.02 . 4 . . . . . . . . 4325 1 575 . 1 1 81 81 LEU HG H 1 1.71 0.02 . 4 . . . . . . . . 4325 1 576 . 1 1 81 81 LEU HD11 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 577 . 1 1 81 81 LEU HD12 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 578 . 1 1 81 81 LEU HD13 H 1 0.90 0.02 . 4 . . . . . . . . 4325 1 579 . 1 1 81 81 LEU HD21 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 580 . 1 1 81 81 LEU HD22 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 581 . 1 1 81 81 LEU HD23 H 1 0.97 0.02 . 4 . . . . . . . . 4325 1 582 . 1 1 82 82 ASN H H 1 8.55 0.02 . 4 . . . . . . . . 4325 1 583 . 1 1 82 82 ASN HA H 1 4.92 0.02 . 4 . . . . . . . . 4325 1 584 . 1 1 82 82 ASN HB2 H 1 2.82 0.02 . 4 . . . . . . . . 4325 1 585 . 1 1 82 82 ASN HB3 H 1 3.29 0.02 . 4 . . . . . . . . 4325 1 586 . 1 1 82 82 ASN HD21 H 1 7.03 0.02 . 4 . . . . . . . . 4325 1 587 . 1 1 82 82 ASN HD22 H 1 7.50 0.02 . 4 . . . . . . . . 4325 1 588 . 1 1 83 83 GLU H H 1 8.62 0.02 . 4 . . . . . . . . 4325 1 589 . 1 1 83 83 GLU HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 590 . 1 1 83 83 GLU HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 591 . 1 1 83 83 GLU HB3 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 592 . 1 1 83 83 GLU HG2 H 1 2.37 0.02 . 4 . . . . . . . . 4325 1 593 . 1 1 83 83 GLU HG3 H 1 2.37 0.02 . 4 . . . . . . . . 4325 1 594 . 1 1 84 84 GLU H H 1 8.26 0.02 . 4 . . . . . . . . 4325 1 595 . 1 1 84 84 GLU HA H 1 4.07 0.02 . 4 . . . . . . . . 4325 1 596 . 1 1 84 84 GLU HB2 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 597 . 1 1 84 84 GLU HB3 H 1 2.04 0.02 . 4 . . . . . . . . 4325 1 598 . 1 1 84 84 GLU HG2 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 599 . 1 1 84 84 GLU HG3 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 600 . 1 1 85 85 GLN H H 1 8.60 0.02 . 4 . . . . . . . . 4325 1 601 . 1 1 85 85 GLN HA H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 602 . 1 1 85 85 GLN HB2 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 603 . 1 1 85 85 GLN HB3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 604 . 1 1 85 85 GLN HG2 H 1 2.33 0.02 . 4 . . . . . . . . 4325 1 605 . 1 1 85 85 GLN HG3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 606 . 1 1 85 85 GLN HE21 H 1 7.65 0.02 . 4 . . . . . . . . 4325 1 607 . 1 1 85 85 GLN HE22 H 1 8.25 0.02 . 4 . . . . . . . . 4325 1 608 . 1 1 86 86 ARG H H 1 8.63 0.02 . 4 . . . . . . . . 4325 1 609 . 1 1 86 86 ARG HA H 1 3.78 0.02 . 4 . . . . . . . . 4325 1 610 . 1 1 86 86 ARG HB2 H 1 1.76 0.02 . 4 . . . . . . . . 4325 1 611 . 1 1 86 86 ARG HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 612 . 1 1 86 86 ARG HG2 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 613 . 1 1 86 86 ARG HG3 H 1 1.48 0.02 . 4 . . . . . . . . 4325 1 614 . 1 1 86 86 ARG HD2 H 1 3.25 0.02 . 4 . . . . . . . . 4325 1 615 . 1 1 86 86 ARG HD3 H 1 3.40 0.02 . 4 . . . . . . . . 4325 1 616 . 1 1 86 86 ARG HE H 1 7.58 0.02 . 4 . . . . . . . . 4325 1 617 . 1 1 87 87 ASN H H 1 8.63 0.02 . 4 . . . . . . . . 4325 1 618 . 1 1 87 87 ASN HA H 1 4.42 0.02 . 4 . . . . . . . . 4325 1 619 . 1 1 87 87 ASN HB2 H 1 2.80 0.02 . 4 . . . . . . . . 4325 1 620 . 1 1 87 87 ASN HB3 H 1 2.90 0.02 . 4 . . . . . . . . 4325 1 621 . 1 1 87 87 ASN HD21 H 1 7.01 0.02 . 4 . . . . . . . . 4325 1 622 . 1 1 87 87 ASN HD22 H 1 7.63 0.02 . 4 . . . . . . . . 4325 1 623 . 1 1 88 88 GLY H H 1 8.05 0.02 . 4 . . . . . . . . 4325 1 624 . 1 1 88 88 GLY HA2 H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 625 . 1 1 88 88 GLY HA3 H 1 3.89 0.02 . 4 . . . . . . . . 4325 1 626 . 1 1 89 89 PHE H H 1 7.84 0.02 . 4 . . . . . . . . 4325 1 627 . 1 1 89 89 PHE HA H 1 4.48 0.02 . 4 . . . . . . . . 4325 1 628 . 1 1 89 89 PHE HB2 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 629 . 1 1 89 89 PHE HB3 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 630 . 1 1 89 89 PHE HD1 H 1 7.26 0.02 . 4 . . . . . . . . 4325 1 631 . 1 1 89 89 PHE HD2 H 1 7.26 0.02 . 4 . . . . . . . . 4325 1 632 . 1 1 89 89 PHE HE1 H 1 7.28 0.02 . 4 . . . . . . . . 4325 1 633 . 1 1 89 89 PHE HE2 H 1 7.28 0.02 . 4 . . . . . . . . 4325 1 634 . 1 1 89 89 PHE HZ H 1 7.15 0.02 . 4 . . . . . . . . 4325 1 635 . 1 1 90 90 ILE H H 1 8.27 0.02 . 4 . . . . . . . . 4325 1 636 . 1 1 90 90 ILE HA H 1 3.75 0.02 . 4 . . . . . . . . 4325 1 637 . 1 1 90 90 ILE HB H 1 2.13 0.02 . 4 . . . . . . . . 4325 1 638 . 1 1 90 90 ILE HG12 H 1 1.37 0.02 . 4 . . . . . . . . 4325 1 639 . 1 1 90 90 ILE HG13 H 1 1.61 0.02 . 4 . . . . . . . . 4325 1 640 . 1 1 90 90 ILE HG21 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 641 . 1 1 90 90 ILE HG22 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 642 . 1 1 90 90 ILE HG23 H 1 0.99 0.02 . 4 . . . . . . . . 4325 1 643 . 1 1 90 90 ILE HD11 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 644 . 1 1 90 90 ILE HD12 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 645 . 1 1 90 90 ILE HD13 H 1 0.66 0.02 . 4 . . . . . . . . 4325 1 646 . 1 1 91 91 GLN H H 1 8.43 0.02 . 4 . . . . . . . . 4325 1 647 . 1 1 91 91 GLN HA H 1 3.95 0.02 . 4 . . . . . . . . 4325 1 648 . 1 1 91 91 GLN HB2 H 1 2.19 0.02 . 4 . . . . . . . . 4325 1 649 . 1 1 91 91 GLN HB3 H 1 2.23 0.02 . 4 . . . . . . . . 4325 1 650 . 1 1 91 91 GLN HG2 H 1 2.43 0.02 . 4 . . . . . . . . 4325 1 651 . 1 1 91 91 GLN HG3 H 1 2.43 0.02 . 4 . . . . . . . . 4325 1 652 . 1 1 91 91 GLN HE21 H 1 6.91 0.02 . 4 . . . . . . . . 4325 1 653 . 1 1 91 91 GLN HE22 H 1 7.82 0.02 . 4 . . . . . . . . 4325 1 654 . 1 1 92 92 SER H H 1 8.03 0.02 . 4 . . . . . . . . 4325 1 655 . 1 1 92 92 SER HA H 1 4.28 0.02 . 4 . . . . . . . . 4325 1 656 . 1 1 92 92 SER HB2 H 1 4.00 0.02 . 4 . . . . . . . . 4325 1 657 . 1 1 92 92 SER HB3 H 1 4.13 0.02 . 4 . . . . . . . . 4325 1 658 . 1 1 93 93 LEU H H 1 8.17 0.02 . 4 . . . . . . . . 4325 1 659 . 1 1 93 93 LEU HA H 1 3.78 0.02 . 4 . . . . . . . . 4325 1 660 . 1 1 93 93 LEU HB2 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 661 . 1 1 93 93 LEU HB3 H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 662 . 1 1 93 93 LEU HG H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 663 . 1 1 93 93 LEU HD11 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 664 . 1 1 93 93 LEU HD12 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 665 . 1 1 93 93 LEU HD13 H 1 0.73 0.02 . 4 . . . . . . . . 4325 1 666 . 1 1 93 93 LEU HD21 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 667 . 1 1 93 93 LEU HD22 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 668 . 1 1 93 93 LEU HD23 H 1 0.79 0.02 . 4 . . . . . . . . 4325 1 669 . 1 1 94 94 LYS H H 1 8.01 0.02 . 4 . . . . . . . . 4325 1 670 . 1 1 94 94 LYS HA H 1 4.02 0.02 . 4 . . . . . . . . 4325 1 671 . 1 1 94 94 LYS HB2 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 672 . 1 1 94 94 LYS HB3 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 673 . 1 1 94 94 LYS HG2 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 674 . 1 1 94 94 LYS HG3 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 675 . 1 1 94 94 LYS HD2 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 676 . 1 1 94 94 LYS HD3 H 1 1.68 0.02 . 4 . . . . . . . . 4325 1 677 . 1 1 94 94 LYS HE2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 678 . 1 1 94 94 LYS HE3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 679 . 1 1 95 95 ASP H H 1 8.09 0.02 . 4 . . . . . . . . 4325 1 680 . 1 1 95 95 ASP HA H 1 4.46 0.02 . 4 . . . . . . . . 4325 1 681 . 1 1 95 95 ASP HB2 H 1 2.74 0.02 . 4 . . . . . . . . 4325 1 682 . 1 1 95 95 ASP HB3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 683 . 1 1 96 96 ASP H H 1 7.66 0.02 . 4 . . . . . . . . 4325 1 684 . 1 1 96 96 ASP HA H 1 4.96 0.02 . 4 . . . . . . . . 4325 1 685 . 1 1 96 96 ASP HB2 H 1 2.60 0.02 . 4 . . . . . . . . 4325 1 686 . 1 1 96 96 ASP HB3 H 1 3.01 0.02 . 4 . . . . . . . . 4325 1 687 . 1 1 97 97 PRO HA H 1 4.51 0.02 . 4 . . . . . . . . 4325 1 688 . 1 1 97 97 PRO HB2 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 689 . 1 1 97 97 PRO HB3 H 1 1.98 0.02 . 4 . . . . . . . . 4325 1 690 . 1 1 97 97 PRO HG2 H 1 2.12 0.02 . 4 . . . . . . . . 4325 1 691 . 1 1 97 97 PRO HG3 H 1 2.26 0.02 . 4 . . . . . . . . 4325 1 692 . 1 1 97 97 PRO HD2 H 1 3.69 0.02 . 4 . . . . . . . . 4325 1 693 . 1 1 97 97 PRO HD3 H 1 3.88 0.02 . 4 . . . . . . . . 4325 1 694 . 1 1 98 98 SER H H 1 8.08 0.02 . 4 . . . . . . . . 4325 1 695 . 1 1 98 98 SER HA H 1 4.31 0.02 . 4 . . . . . . . . 4325 1 696 . 1 1 98 98 SER HB2 H 1 3.98 0.02 . 4 . . . . . . . . 4325 1 697 . 1 1 98 98 SER HB3 H 1 4.04 0.02 . 4 . . . . . . . . 4325 1 698 . 1 1 99 99 GLN H H 1 7.87 0.02 . 4 . . . . . . . . 4325 1 699 . 1 1 99 99 GLN HA H 1 4.61 0.02 . 4 . . . . . . . . 4325 1 700 . 1 1 99 99 GLN HB2 H 1 2.00 0.02 . 4 . . . . . . . . 4325 1 701 . 1 1 99 99 GLN HB3 H 1 2.65 0.02 . 4 . . . . . . . . 4325 1 702 . 1 1 99 99 GLN HG2 H 1 2.33 0.02 . 4 . . . . . . . . 4325 1 703 . 1 1 99 99 GLN HG3 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 704 . 1 1 99 99 GLN HE21 H 1 6.86 0.02 . 4 . . . . . . . . 4325 1 705 . 1 1 99 99 GLN HE22 H 1 7.58 0.02 . 4 . . . . . . . . 4325 1 706 . 1 1 100 100 SER H H 1 7.77 0.02 . 4 . . . . . . . . 4325 1 707 . 1 1 100 100 SER HA H 1 3.73 0.02 . 4 . . . . . . . . 4325 1 708 . 1 1 100 100 SER HB2 H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 709 . 1 1 100 100 SER HB3 H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 710 . 1 1 101 101 ALA H H 1 8.48 0.02 . 4 . . . . . . . . 4325 1 711 . 1 1 101 101 ALA HA H 1 4.13 0.02 . 4 . . . . . . . . 4325 1 712 . 1 1 101 101 ALA HB1 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 713 . 1 1 101 101 ALA HB2 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 714 . 1 1 101 101 ALA HB3 H 1 1.43 0.02 . 4 . . . . . . . . 4325 1 715 . 1 1 102 102 ASN H H 1 7.91 0.02 . 4 . . . . . . . . 4325 1 716 . 1 1 102 102 ASN HA H 1 4.53 0.02 . 4 . . . . . . . . 4325 1 717 . 1 1 102 102 ASN HB2 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 718 . 1 1 102 102 ASN HB3 H 1 2.89 0.02 . 4 . . . . . . . . 4325 1 719 . 1 1 102 102 ASN HD21 H 1 6.98 0.02 . 4 . . . . . . . . 4325 1 720 . 1 1 102 102 ASN HD22 H 1 7.76 0.02 . 4 . . . . . . . . 4325 1 721 . 1 1 103 103 LEU H H 1 8.58 0.02 . 4 . . . . . . . . 4325 1 722 . 1 1 103 103 LEU HA H 1 4.16 0.02 . 4 . . . . . . . . 4325 1 723 . 1 1 103 103 LEU HB2 H 1 1.27 0.02 . 4 . . . . . . . . 4325 1 724 . 1 1 103 103 LEU HB3 H 1 1.80 0.02 . 4 . . . . . . . . 4325 1 725 . 1 1 103 103 LEU HG H 1 1.87 0.02 . 4 . . . . . . . . 4325 1 726 . 1 1 103 103 LEU HD11 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 727 . 1 1 103 103 LEU HD12 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 728 . 1 1 103 103 LEU HD13 H 1 0.80 0.02 . 4 . . . . . . . . 4325 1 729 . 1 1 103 103 LEU HD21 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 730 . 1 1 103 103 LEU HD22 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 731 . 1 1 103 103 LEU HD23 H 1 1.13 0.02 . 4 . . . . . . . . 4325 1 732 . 1 1 104 104 LEU H H 1 8.41 0.02 . 4 . . . . . . . . 4325 1 733 . 1 1 104 104 LEU HA H 1 3.81 0.02 . 4 . . . . . . . . 4325 1 734 . 1 1 104 104 LEU HB2 H 1 1.46 0.02 . 4 . . . . . . . . 4325 1 735 . 1 1 104 104 LEU HB3 H 1 1.88 0.02 . 4 . . . . . . . . 4325 1 736 . 1 1 104 104 LEU HG H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 737 . 1 1 104 104 LEU HD11 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 738 . 1 1 104 104 LEU HD12 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 739 . 1 1 104 104 LEU HD13 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 740 . 1 1 104 104 LEU HD21 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 741 . 1 1 104 104 LEU HD22 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 742 . 1 1 104 104 LEU HD23 H 1 0.89 0.02 . 4 . . . . . . . . 4325 1 743 . 1 1 105 105 ALA H H 1 7.61 0.02 . 4 . . . . . . . . 4325 1 744 . 1 1 105 105 ALA HA H 1 4.03 0.02 . 4 . . . . . . . . 4325 1 745 . 1 1 105 105 ALA HB1 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 746 . 1 1 105 105 ALA HB2 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 747 . 1 1 105 105 ALA HB3 H 1 1.54 0.02 . 4 . . . . . . . . 4325 1 748 . 1 1 106 106 GLU H H 1 8.07 0.02 . 4 . . . . . . . . 4325 1 749 . 1 1 106 106 GLU HA H 1 4.02 0.02 . 4 . . . . . . . . 4325 1 750 . 1 1 106 106 GLU HB2 H 1 2.24 0.02 . 4 . . . . . . . . 4325 1 751 . 1 1 106 106 GLU HB3 H 1 2.29 0.02 . 4 . . . . . . . . 4325 1 752 . 1 1 106 106 GLU HG2 H 1 2.51 0.02 . 4 . . . . . . . . 4325 1 753 . 1 1 106 106 GLU HG3 H 1 2.58 0.02 . 4 . . . . . . . . 4325 1 754 . 1 1 107 107 ALA H H 1 8.41 0.02 . 4 . . . . . . . . 4325 1 755 . 1 1 107 107 ALA HA H 1 3.48 0.02 . 4 . . . . . . . . 4325 1 756 . 1 1 107 107 ALA HB1 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 757 . 1 1 107 107 ALA HB2 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 758 . 1 1 107 107 ALA HB3 H 1 0.49 0.02 . 4 . . . . . . . . 4325 1 759 . 1 1 108 108 LYS H H 1 8.49 0.02 . 4 . . . . . . . . 4325 1 760 . 1 1 108 108 LYS HA H 1 3.76 0.02 . 4 . . . . . . . . 4325 1 761 . 1 1 108 108 LYS HB2 H 1 1.78 0.02 . 4 . . . . . . . . 4325 1 762 . 1 1 108 108 LYS HB3 H 1 1.94 0.02 . 4 . . . . . . . . 4325 1 763 . 1 1 108 108 LYS HG2 H 1 1.29 0.02 . 4 . . . . . . . . 4325 1 764 . 1 1 108 108 LYS HG3 H 1 1.29 0.02 . 4 . . . . . . . . 4325 1 765 . 1 1 108 108 LYS HD2 H 1 1.59 0.02 . 4 . . . . . . . . 4325 1 766 . 1 1 108 108 LYS HD3 H 1 1.59 0.02 . 4 . . . . . . . . 4325 1 767 . 1 1 108 108 LYS HE2 H 1 2.82 0.02 . 4 . . . . . . . . 4325 1 768 . 1 1 108 108 LYS HE3 H 1 2.93 0.02 . 4 . . . . . . . . 4325 1 769 . 1 1 109 109 LYS H H 1 7.71 0.02 . 4 . . . . . . . . 4325 1 770 . 1 1 109 109 LYS HA H 1 4.11 0.02 . 4 . . . . . . . . 4325 1 771 . 1 1 109 109 LYS HB2 H 1 1.96 0.02 . 4 . . . . . . . . 4325 1 772 . 1 1 109 109 LYS HB3 H 1 1.96 0.02 . 4 . . . . . . . . 4325 1 773 . 1 1 109 109 LYS HG2 H 1 1.42 0.02 . 4 . . . . . . . . 4325 1 774 . 1 1 109 109 LYS HG3 H 1 1.42 0.02 . 4 . . . . . . . . 4325 1 775 . 1 1 109 109 LYS HD2 H 1 1.62 0.02 . 4 . . . . . . . . 4325 1 776 . 1 1 109 109 LYS HD3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 777 . 1 1 109 109 LYS HE2 H 1 2.94 0.02 . 4 . . . . . . . . 4325 1 778 . 1 1 109 109 LYS HE3 H 1 2.94 0.02 . 4 . . . . . . . . 4325 1 779 . 1 1 110 110 LEU H H 1 7.94 0.02 . 4 . . . . . . . . 4325 1 780 . 1 1 110 110 LEU HA H 1 4.18 0.02 . 4 . . . . . . . . 4325 1 781 . 1 1 110 110 LEU HB2 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 782 . 1 1 110 110 LEU HB3 H 1 1.72 0.02 . 4 . . . . . . . . 4325 1 783 . 1 1 110 110 LEU HG H 1 1.58 0.02 . 4 . . . . . . . . 4325 1 784 . 1 1 110 110 LEU HD11 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 785 . 1 1 110 110 LEU HD12 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 786 . 1 1 110 110 LEU HD13 H 1 1.00 0.02 . 4 . . . . . . . . 4325 1 787 . 1 1 110 110 LEU HD21 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 788 . 1 1 110 110 LEU HD22 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 789 . 1 1 110 110 LEU HD23 H 1 1.02 0.02 . 4 . . . . . . . . 4325 1 790 . 1 1 111 111 ASN H H 1 8.57 0.02 . 4 . . . . . . . . 4325 1 791 . 1 1 111 111 ASN HA H 1 3.96 0.02 . 4 . . . . . . . . 4325 1 792 . 1 1 111 111 ASN HB2 H 1 2.41 0.02 . 4 . . . . . . . . 4325 1 793 . 1 1 111 111 ASN HB3 H 1 3.12 0.02 . 4 . . . . . . . . 4325 1 794 . 1 1 111 111 ASN HD21 H 1 6.86 0.02 . 4 . . . . . . . . 4325 1 795 . 1 1 111 111 ASN HD22 H 1 7.94 0.02 . 4 . . . . . . . . 4325 1 796 . 1 1 112 112 ASP H H 1 8.27 0.02 . 4 . . . . . . . . 4325 1 797 . 1 1 112 112 ASP HA H 1 4.47 0.02 . 4 . . . . . . . . 4325 1 798 . 1 1 112 112 ASP HB2 H 1 2.73 0.02 . 4 . . . . . . . . 4325 1 799 . 1 1 112 112 ASP HB3 H 1 2.79 0.02 . 4 . . . . . . . . 4325 1 800 . 1 1 113 113 ALA H H 1 8.03 0.02 . 4 . . . . . . . . 4325 1 801 . 1 1 113 113 ALA HA H 1 4.25 0.02 . 4 . . . . . . . . 4325 1 802 . 1 1 113 113 ALA HB1 H 1 1.58 0.02 . 4 . . . . . . . . 4325 1 803 . 1 1 113 113 ALA HB2 H 1 1.58 0.02 . 4 . . . . . . . . 4325 1 804 . 1 1 113 113 ALA HB3 H 1 1.58 0.02 . 4 . . . . . . . . 4325 1 805 . 1 1 114 114 GLN H H 1 7.54 0.02 . 4 . . . . . . . . 4325 1 806 . 1 1 114 114 GLN HA H 1 4.38 0.02 . 4 . . . . . . . . 4325 1 807 . 1 1 114 114 GLN HB2 H 1 1.83 0.02 . 4 . . . . . . . . 4325 1 808 . 1 1 114 114 GLN HB3 H 1 2.30 0.02 . 4 . . . . . . . . 4325 1 809 . 1 1 114 114 GLN HG2 H 1 2.48 0.02 . 4 . . . . . . . . 4325 1 810 . 1 1 114 114 GLN HG3 H 1 2.65 0.02 . 4 . . . . . . . . 4325 1 811 . 1 1 114 114 GLN HE21 H 1 7.27 0.02 . 4 . . . . . . . . 4325 1 812 . 1 1 114 114 GLN HE22 H 1 8.69 0.02 . 4 . . . . . . . . 4325 1 813 . 1 1 115 115 ALA H H 1 7.13 0.02 . 4 . . . . . . . . 4325 1 814 . 1 1 115 115 ALA HA H 1 4.36 0.02 . 4 . . . . . . . . 4325 1 815 . 1 1 115 115 ALA HB1 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 816 . 1 1 115 115 ALA HB2 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 817 . 1 1 115 115 ALA HB3 H 1 1.45 0.02 . 4 . . . . . . . . 4325 1 818 . 1 1 116 116 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4325 1 819 . 1 1 116 116 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4325 1 820 . 1 1 116 116 PRO HB3 H 1 2.24 0.02 . 2 . . . . . . . . 4325 1 821 . 1 1 116 116 PRO HG2 H 1 2.08 0.02 . 4 . . . . . . . . 4325 1 822 . 1 1 116 116 PRO HG3 H 1 2.08 0.02 . 4 . . . . . . . . 4325 1 823 . 1 1 116 116 PRO HD2 H 1 3.63 0.02 . 4 . . . . . . . . 4325 1 824 . 1 1 116 116 PRO HD3 H 1 3.79 0.02 . 4 . . . . . . . . 4325 1 825 . 1 1 117 117 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 4325 1 826 . 1 1 117 117 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 4325 1 827 . 1 1 117 117 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4325 1 828 . 1 1 117 117 LYS HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4325 1 829 . 1 1 117 117 LYS HG2 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 830 . 1 1 117 117 LYS HG3 H 1 1.49 0.02 . 4 . . . . . . . . 4325 1 831 . 1 1 117 117 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 4325 1 832 . 1 1 117 117 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 4325 1 833 . 1 1 117 117 LYS HE2 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 834 . 1 1 117 117 LYS HE3 H 1 3.04 0.02 . 4 . . . . . . . . 4325 1 835 . 1 1 118 118 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 4325 1 836 . 1 1 118 118 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 4325 1 837 . 1 1 118 118 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 4325 1 838 . 1 1 118 118 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4325 1 839 . 1 1 122 122 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4325 1 840 . 1 1 122 122 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 4325 1 841 . 1 1 122 122 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 4325 1 842 . 1 1 123 123 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4325 1 843 . 1 1 123 123 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4325 1 844 . 1 1 123 123 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 4325 1 845 . 1 1 123 123 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 4325 1 stop_ save_