data_1037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1037 _Entry.Title ; Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy ; _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 Martin Billeter . . . 1037 2 Yan-qiu Qian . . . 1037 3 Gottfried Otting . . . 1037 4 Martin Muller . . . 1037 5 Walter Gehring . . . 1037 6 Kurt Wuthrich . . . 1037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 569 1037 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 5 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1037 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1037 3 . . 1997-04-11 . revision BMRB 'Corrections made to assigned chemical shift entries' 1037 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1037 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Billeter, Martin, Qian, Yan-qiu, Otting, Gottfried, Muller, Martin, Gehring, Walter, Wuthrich, Kurt, "Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy," J. Mol. Biol. 214, 183-197 (1990). ; _Citation.Title ; Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 214 _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 183 _Citation.Page_last 197 _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 Martin Billeter . . . 1037 1 2 Yan-qiu Qian . . . 1037 1 3 Gottfried Otting . . . 1037 1 4 Martin Muller . . . 1037 1 5 Walter Gehring . . . 1037 1 6 Kurt Wuthrich . . . 1037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_antennepedia _Assembly.Sf_category assembly _Assembly.Sf_framecode system_antennepedia _Assembly.Entry_ID 1037 _Assembly.ID 1 _Assembly.Name antennepedia _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 antennepedia 1 $antennepedia . . . . . . . . . 1037 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1AHD . . . . . . 1037 1 yes PDB 1HOM . . . . . . 1037 1 yes PDB 1SAN . . . . . . 1037 1 yes PDB 2HOA . . . . . . 1037 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID antennepedia system 1037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_antennepedia _Entity.Sf_category entity _Entity.Sf_framecode antennepedia _Entity.Entry_ID 1037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name antennepedia _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 ; MRKRGRQTYTRYQTLELEKE FHFNRYLTRRRRIEIAHALC LTERQIKIWFQNRRMKWKKE NKTKGEPG ; _Entity.Polymer_seq_one_letter_code ; MRKRGRQTYTRYQTLELEKE FHFNRYLTRRRRIEIAHALC LTERQIKIWFQNRRMKWKKE NKTKGEPG ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4104 . "Antennapedia Homeodomain" . . . . . 100.00 68 98.53 98.53 3.44e-39 . . . . 1037 1 2 no PDB 1AHD . "Determination Of The Nmr Solution Structure Of An Antennapedia Homeodomain-Dna Complex" . . . . . 98.53 68 98.51 98.51 3.27e-38 . . . . 1037 1 3 no PDB 1HOM . "Determination Of The Three-Dimensional Structure Of The Antennapedia Homeodomain From Drosophila In Solution By 1h Nuclear Magn" . . . . . 100.00 68 100.00 100.00 3.25e-40 . . . . 1037 1 4 no PDB 1SAN . "The Des(1-6)antennapedia Homeodomain: Comparison Of The Nmr Solution Structure And The Dna Binding Affinity With The Intact Ant" . . . . . 89.71 62 98.36 98.36 3.14e-34 . . . . 1037 1 5 no PDB 2HOA . "Structure Determination Of The Antp(C39->s) Homeodomain From Nuclear Magnetic Resonance Data In Solution Using A Novel Strategy" . . . . . 98.53 68 98.51 98.51 3.27e-38 . . . . 1037 1 6 no PDB 9ANT . "Antennapedia Homeodomain-Dna Complex" . . . . . 88.24 62 98.33 98.33 2.01e-32 . . . . 1037 1 7 no DBJ BAA04087 . "Antennapedia homologue protein [Bombyx mori]" . . . . . 98.53 259 100.00 100.00 2.17e-37 . . . . 1037 1 8 no DBJ BAA86247 . "HOXB6B [Oryzias latipes]" . . . . . 60.29 59 97.56 100.00 8.92e-20 . . . . 1037 1 9 no DBJ BAD95554 . "Hoxb-7, partial [Gallus gallus]" . . . . . 91.18 145 98.39 100.00 8.58e-35 . . . . 1037 1 10 no DBJ BAD95559 . "Hoxa-7, partial [Pelodiscus sinensis]" . . . . . 73.53 180 98.00 100.00 1.05e-25 . . . . 1037 1 11 no DBJ BAE44269 . "hoxB6a [Oryzias latipes]" . . . . . 88.24 274 98.33 100.00 7.44e-35 . . . . 1037 1 12 no EMBL CAA27417 . "antennapedia protein [Drosophila melanogaster]" . . . . . 98.53 378 100.00 100.00 3.16e-37 . . . . 1037 1 13 no EMBL CAA35171 . "Hox 2.2 [Danio rerio]" . . . . . 88.24 228 98.33 100.00 3.75e-33 . . . . 1037 1 14 no EMBL CAA43307 . "Antp [Drosophila subobscura]" . . . . . 98.53 394 100.00 100.00 1.06e-36 . . . . 1037 1 15 no EMBL CAA48319 . "homeodomain protein [Danio rerio]" . . . . . 88.24 228 98.33 100.00 3.75e-33 . . . . 1037 1 16 no EMBL CAA84519 . "Hox-7 homeodomain protein [Branchiostoma floridae]" . . . . . 89.71 81 98.36 100.00 1.93e-34 . . . . 1037 1 17 no GB AAA28373 . "Antennepedia protein, partial [Drosophila melanogaster]" . . . . . 98.53 74 98.51 98.51 2.13e-38 . . . . 1037 1 18 no GB AAA28376 . "Antennapedia differentiation protein [Drosophila melanogaster]" . . . . . 98.53 378 100.00 100.00 3.16e-37 . . . . 1037 1 19 no GB AAA28737 . "homeobox protein [Drosophila virilis]" . . . . . 98.53 82 100.00 100.00 1.97e-39 . . . . 1037 1 20 no GB AAA68461 . "putative, partial [Junonia coenia]" . . . . . 85.29 58 100.00 100.00 7.65e-32 . . . . 1037 1 21 no GB AAA70214 . "antennapedia protein [Drosophila melanogaster]" . . . . . 98.53 378 100.00 100.00 3.16e-37 . . . . 1037 1 22 no PIR F45186 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 54.41 37 97.30 100.00 3.27e-16 . . . . 1037 1 23 no PIR H45186 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 75.00 62 100.00 100.00 1.03e-26 . . . . 1037 1 24 no PIR I45186 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 75.00 62 98.04 100.00 3.28e-26 . . . . 1037 1 25 no PIR I65241 . "homeotic protein Hox-A - rat (fragment)" . . . . . 61.76 42 97.62 100.00 1.14e-19 . . . . 1037 1 26 no PRF 1205216A . "gene Antp" . . . . . 98.53 378 100.00 100.00 3.16e-37 . . . . 1037 1 27 no PRF 2016458F . "Hox-7 gene" . . . . . 89.71 81 98.36 100.00 1.93e-34 . . . . 1037 1 28 no REF NP_001034505 . "prothoraxless [Tribolium castaneum]" . . . . . 98.53 325 98.51 98.51 2.96e-34 . . . . 1037 1 29 no REF NP_001037319 . "antennapedia homologue protein [Bombyx mori]" . . . . . 98.53 259 100.00 100.00 2.17e-37 . . . . 1037 1 30 no REF NP_001133047 . "homeobox protein HoxB6aa [Salmo salar]" . . . . . 88.24 227 98.33 100.00 2.47e-33 . . . . 1037 1 31 no REF NP_001133052 . "homeobox protein HoxB6ab [Salmo salar]" . . . . . 88.24 227 98.33 100.00 2.32e-33 . . . . 1037 1 32 no REF NP_001134382 . "Homeobox protein Hox-B7a [Salmo salar]" . . . . . 94.12 223 98.44 98.44 4.96e-36 . . . . 1037 1 33 no SP P02833 . "RecName: Full=Homeotic protein antennapedia" . . . . . 98.53 378 100.00 100.00 3.16e-37 . . . . 1037 1 34 no SP P15861 . "RecName: Full=Homeobox protein Hox-B6a; Short=Hox-B6; AltName: Full=Homeobox protein Zf-22" . . . . . 88.24 228 98.33 100.00 3.75e-33 . . . . 1037 1 35 no SP Q1KKY0 . "RecName: Full=Homeobox protein Hox-B6a" . . . . . 88.24 274 98.33 100.00 1.39e-34 . . . . 1037 1 36 no SP Q24645 . "RecName: Full=Homeotic protein antennapedia" . . . . . 98.53 394 100.00 100.00 1.06e-36 . . . . 1037 1 37 no SP Q90VZ9 . "RecName: Full=Homeobox protein Hox-A7" . . . . . 89.71 219 98.36 100.00 2.13e-32 . . . . 1037 1 38 no TPG DAA30525 . "TPA: homeobox A7-like [Bos taurus]" . . . . . 89.71 238 98.36 100.00 3.86e-36 . . . . 1037 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID antennepedia common 1037 1 homeodomain variant 1037 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 . 1037 1 2 . ARG . 1037 1 3 . LYS . 1037 1 4 . ARG . 1037 1 5 . GLY . 1037 1 6 . ARG . 1037 1 7 . GLN . 1037 1 8 . THR . 1037 1 9 . TYR . 1037 1 10 . THR . 1037 1 11 . ARG . 1037 1 12 . TYR . 1037 1 13 . GLN . 1037 1 14 . THR . 1037 1 15 . LEU . 1037 1 16 . GLU . 1037 1 17 . LEU . 1037 1 18 . GLU . 1037 1 19 . LYS . 1037 1 20 . GLU . 1037 1 21 . PHE . 1037 1 22 . HIS . 1037 1 23 . PHE . 1037 1 24 . ASN . 1037 1 25 . ARG . 1037 1 26 . TYR . 1037 1 27 . LEU . 1037 1 28 . THR . 1037 1 29 . ARG . 1037 1 30 . ARG . 1037 1 31 . ARG . 1037 1 32 . ARG . 1037 1 33 . ILE . 1037 1 34 . GLU . 1037 1 35 . ILE . 1037 1 36 . ALA . 1037 1 37 . HIS . 1037 1 38 . ALA . 1037 1 39 . LEU . 1037 1 40 . CYS . 1037 1 41 . LEU . 1037 1 42 . THR . 1037 1 43 . GLU . 1037 1 44 . ARG . 1037 1 45 . GLN . 1037 1 46 . ILE . 1037 1 47 . LYS . 1037 1 48 . ILE . 1037 1 49 . TRP . 1037 1 50 . PHE . 1037 1 51 . GLN . 1037 1 52 . ASN . 1037 1 53 . ARG . 1037 1 54 . ARG . 1037 1 55 . MET . 1037 1 56 . LYS . 1037 1 57 . TRP . 1037 1 58 . LYS . 1037 1 59 . LYS . 1037 1 60 . GLU . 1037 1 61 . ASN . 1037 1 62 . LYS . 1037 1 63 . THR . 1037 1 64 . LYS . 1037 1 65 . GLY . 1037 1 66 . GLU . 1037 1 67 . PRO . 1037 1 68 . GLY . 1037 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 1037 1 . ARG 2 2 1037 1 . LYS 3 3 1037 1 . ARG 4 4 1037 1 . GLY 5 5 1037 1 . ARG 6 6 1037 1 . GLN 7 7 1037 1 . THR 8 8 1037 1 . TYR 9 9 1037 1 . THR 10 10 1037 1 . ARG 11 11 1037 1 . TYR 12 12 1037 1 . GLN 13 13 1037 1 . THR 14 14 1037 1 . LEU 15 15 1037 1 . GLU 16 16 1037 1 . LEU 17 17 1037 1 . GLU 18 18 1037 1 . LYS 19 19 1037 1 . GLU 20 20 1037 1 . PHE 21 21 1037 1 . HIS 22 22 1037 1 . PHE 23 23 1037 1 . ASN 24 24 1037 1 . ARG 25 25 1037 1 . TYR 26 26 1037 1 . LEU 27 27 1037 1 . THR 28 28 1037 1 . ARG 29 29 1037 1 . ARG 30 30 1037 1 . ARG 31 31 1037 1 . ARG 32 32 1037 1 . ILE 33 33 1037 1 . GLU 34 34 1037 1 . ILE 35 35 1037 1 . ALA 36 36 1037 1 . HIS 37 37 1037 1 . ALA 38 38 1037 1 . LEU 39 39 1037 1 . CYS 40 40 1037 1 . LEU 41 41 1037 1 . THR 42 42 1037 1 . GLU 43 43 1037 1 . ARG 44 44 1037 1 . GLN 45 45 1037 1 . ILE 46 46 1037 1 . LYS 47 47 1037 1 . ILE 48 48 1037 1 . TRP 49 49 1037 1 . PHE 50 50 1037 1 . GLN 51 51 1037 1 . ASN 52 52 1037 1 . ARG 53 53 1037 1 . ARG 54 54 1037 1 . MET 55 55 1037 1 . LYS 56 56 1037 1 . TRP 57 57 1037 1 . LYS 58 58 1037 1 . LYS 59 59 1037 1 . GLU 60 60 1037 1 . ASN 61 61 1037 1 . LYS 62 62 1037 1 . THR 63 63 1037 1 . LYS 64 64 1037 1 . GLY 65 65 1037 1 . GLU 66 66 1037 1 . PRO 67 67 1037 1 . GLY 68 68 1037 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 1037 _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 $antennepedia . 7244 organism . 'Drosophila virilis' fly . . Eukaryota Metazoa Drosphila virilis . . . . . . . . . . . . . . . . . . . . . 1037 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 1037 _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 $antennepedia . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1037 _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 1037 _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 4.3 . na 1037 1 temperature 293 . K 1037 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 1037 _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 1037 _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' . . 1037 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 1037 _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 . . . . . . . . . . . . . . . . 1037 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 1037 _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 1037 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 1037 _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 . 1037 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 MET HA H 1 4.11 . . 1 . . . . . . . . 1037 1 2 . 1 1 1 1 MET HB2 H 1 2.1 . . 1 . . . . . . . . 1037 1 3 . 1 1 1 1 MET HB3 H 1 2.1 . . 1 . . . . . . . . 1037 1 4 . 1 1 1 1 MET HG2 H 1 2.55 . . 1 . . . . . . . . 1037 1 5 . 1 1 1 1 MET HG3 H 1 2.55 . . 1 . . . . . . . . 1037 1 6 . 1 1 1 1 MET HE1 H 1 2.13 . . 1 . . . . . . . . 1037 1 7 . 1 1 1 1 MET HE2 H 1 2.13 . . 1 . . . . . . . . 1037 1 8 . 1 1 1 1 MET HE3 H 1 2.13 . . 1 . . . . . . . . 1037 1 9 . 1 1 2 2 ARG H H 1 8.75 . . 1 . . . . . . . . 1037 1 10 . 1 1 2 2 ARG HA H 1 4.33 . . 1 . . . . . . . . 1037 1 11 . 1 1 2 2 ARG HB2 H 1 1.75 . . 1 . . . . . . . . 1037 1 12 . 1 1 2 2 ARG HB3 H 1 1.75 . . 1 . . . . . . . . 1037 1 13 . 1 1 2 2 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 1037 1 14 . 1 1 2 2 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 1037 1 15 . 1 1 2 2 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 1037 1 16 . 1 1 2 2 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 1037 1 17 . 1 1 2 2 ARG HE H 1 7.18 . . 1 . . . . . . . . 1037 1 18 . 1 1 3 3 LYS H H 1 8.55 . . 1 . . . . . . . . 1037 1 19 . 1 1 3 3 LYS HA H 1 4.24 . . 1 . . . . . . . . 1037 1 20 . 1 1 3 3 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 1037 1 21 . 1 1 3 3 LYS HB3 H 1 1.7 . . 2 . . . . . . . . 1037 1 22 . 1 1 3 3 LYS HG2 H 1 1.41 . . 2 . . . . . . . . 1037 1 23 . 1 1 3 3 LYS HG3 H 1 1.35 . . 2 . . . . . . . . 1037 1 24 . 1 1 3 3 LYS HD2 H 1 1.57 . . 1 . . . . . . . . 1037 1 25 . 1 1 3 3 LYS HD3 H 1 1.57 . . 1 . . . . . . . . 1037 1 26 . 1 1 3 3 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 1037 1 27 . 1 1 3 3 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 1037 1 28 . 1 1 3 3 LYS HZ1 H 1 7.45 . . 1 . . . . . . . . 1037 1 29 . 1 1 3 3 LYS HZ2 H 1 7.45 . . 1 . . . . . . . . 1037 1 30 . 1 1 3 3 LYS HZ3 H 1 7.45 . . 1 . . . . . . . . 1037 1 31 . 1 1 4 4 ARG H H 1 8.49 . . 1 . . . . . . . . 1037 1 32 . 1 1 4 4 ARG HA H 1 4.29 . . 1 . . . . . . . . 1037 1 33 . 1 1 4 4 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 1037 1 34 . 1 1 4 4 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 1037 1 35 . 1 1 4 4 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 1037 1 36 . 1 1 4 4 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 1037 1 37 . 1 1 4 4 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 1037 1 38 . 1 1 4 4 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 1037 1 39 . 1 1 4 4 ARG HE H 1 7.18 . . 1 . . . . . . . . 1037 1 40 . 1 1 5 5 GLY H H 1 8.45 . . 1 . . . . . . . . 1037 1 41 . 1 1 5 5 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 1037 1 42 . 1 1 5 5 GLY HA3 H 1 3.86 . . 2 . . . . . . . . 1037 1 43 . 1 1 6 6 ARG H H 1 8.28 . . 1 . . . . . . . . 1037 1 44 . 1 1 6 6 ARG HA H 1 4.28 . . 1 . . . . . . . . 1037 1 45 . 1 1 6 6 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 1037 1 46 . 1 1 6 6 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 1037 1 47 . 1 1 6 6 ARG HG2 H 1 1.56 . . 2 . . . . . . . . 1037 1 48 . 1 1 6 6 ARG HG3 H 1 1.51 . . 2 . . . . . . . . 1037 1 49 . 1 1 6 6 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 1037 1 50 . 1 1 6 6 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 1037 1 51 . 1 1 6 6 ARG HE H 1 7.15 . . 1 . . . . . . . . 1037 1 52 . 1 1 7 7 GLN H H 1 8.55 . . 1 . . . . . . . . 1037 1 53 . 1 1 7 7 GLN HA H 1 4.31 . . 1 . . . . . . . . 1037 1 54 . 1 1 7 7 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 1037 1 55 . 1 1 7 7 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 1037 1 56 . 1 1 7 7 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 1037 1 57 . 1 1 7 7 GLN HG3 H 1 2.21 . . 1 . . . . . . . . 1037 1 58 . 1 1 7 7 GLN HE21 H 1 7.49 . . 2 . . . . . . . . 1037 1 59 . 1 1 7 7 GLN HE22 H 1 6.81 . . 2 . . . . . . . . 1037 1 60 . 1 1 8 8 THR H H 1 8.15 . . 1 . . . . . . . . 1037 1 61 . 1 1 8 8 THR HA H 1 4.17 . . 1 . . . . . . . . 1037 1 62 . 1 1 8 8 THR HB H 1 3.97 . . 1 . . . . . . . . 1037 1 63 . 1 1 8 8 THR HG21 H 1 .96 . . 1 . . . . . . . . 1037 1 64 . 1 1 8 8 THR HG22 H 1 .96 . . 1 . . . . . . . . 1037 1 65 . 1 1 8 8 THR HG23 H 1 .96 . . 1 . . . . . . . . 1037 1 66 . 1 1 9 9 TYR H H 1 8.15 . . 1 . . . . . . . . 1037 1 67 . 1 1 9 9 TYR HA H 1 4.89 . . 1 . . . . . . . . 1037 1 68 . 1 1 9 9 TYR HB2 H 1 2.66 . . 1 . . . . . . . . 1037 1 69 . 1 1 9 9 TYR HB3 H 1 3.04 . . 1 . . . . . . . . 1037 1 70 . 1 1 9 9 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 1037 1 71 . 1 1 9 9 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 1037 1 72 . 1 1 9 9 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 1037 1 73 . 1 1 9 9 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 1037 1 74 . 1 1 10 10 THR H H 1 9.14 . . 1 . . . . . . . . 1037 1 75 . 1 1 10 10 THR HA H 1 4.4 . . 1 . . . . . . . . 1037 1 76 . 1 1 10 10 THR HB H 1 4.8 . . 1 . . . . . . . . 1037 1 77 . 1 1 10 10 THR HG21 H 1 1.32 . . 1 . . . . . . . . 1037 1 78 . 1 1 10 10 THR HG22 H 1 1.32 . . 1 . . . . . . . . 1037 1 79 . 1 1 10 10 THR HG23 H 1 1.32 . . 1 . . . . . . . . 1037 1 80 . 1 1 11 11 ARG H H 1 9.06 . . 1 . . . . . . . . 1037 1 81 . 1 1 11 11 ARG HA H 1 4.05 . . 1 . . . . . . . . 1037 1 82 . 1 1 11 11 ARG HB2 H 1 1.94 . . 1 . . . . . . . . 1037 1 83 . 1 1 11 11 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 1037 1 84 . 1 1 11 11 ARG HG2 H 1 1.72 . . 2 . . . . . . . . 1037 1 85 . 1 1 11 11 ARG HG3 H 1 1.63 . . 2 . . . . . . . . 1037 1 86 . 1 1 11 11 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 1037 1 87 . 1 1 11 11 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 1037 1 88 . 1 1 11 11 ARG HE H 1 7.28 . . 1 . . . . . . . . 1037 1 89 . 1 1 12 12 TYR H H 1 8.41 . . 1 . . . . . . . . 1037 1 90 . 1 1 12 12 TYR HA H 1 4.12 . . 1 . . . . . . . . 1037 1 91 . 1 1 12 12 TYR HB2 H 1 3.2 . . 1 . . . . . . . . 1037 1 92 . 1 1 12 12 TYR HB3 H 1 2.72 . . 1 . . . . . . . . 1037 1 93 . 1 1 12 12 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 1037 1 94 . 1 1 12 12 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 1037 1 95 . 1 1 12 12 TYR HE1 H 1 6.7 . . 1 . . . . . . . . 1037 1 96 . 1 1 12 12 TYR HE2 H 1 6.7 . . 1 . . . . . . . . 1037 1 97 . 1 1 13 13 GLN H H 1 7.73 . . 1 . . . . . . . . 1037 1 98 . 1 1 13 13 GLN HA H 1 3.49 . . 1 . . . . . . . . 1037 1 99 . 1 1 13 13 GLN HB2 H 1 1.53 . . 1 . . . . . . . . 1037 1 100 . 1 1 13 13 GLN HB3 H 1 2.57 . . 1 . . . . . . . . 1037 1 101 . 1 1 13 13 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 1037 1 102 . 1 1 13 13 GLN HG3 H 1 2.69 . . 2 . . . . . . . . 1037 1 103 . 1 1 13 13 GLN HE21 H 1 7.63 . . 2 . . . . . . . . 1037 1 104 . 1 1 13 13 GLN HE22 H 1 6.78 . . 2 . . . . . . . . 1037 1 105 . 1 1 14 14 THR H H 1 8.46 . . 1 . . . . . . . . 1037 1 106 . 1 1 14 14 THR HA H 1 3.34 . . 1 . . . . . . . . 1037 1 107 . 1 1 14 14 THR HB H 1 4.24 . . 1 . . . . . . . . 1037 1 108 . 1 1 14 14 THR HG21 H 1 1.26 . . 1 . . . . . . . . 1037 1 109 . 1 1 14 14 THR HG22 H 1 1.26 . . 1 . . . . . . . . 1037 1 110 . 1 1 14 14 THR HG23 H 1 1.26 . . 1 . . . . . . . . 1037 1 111 . 1 1 15 15 LEU H H 1 8.15 . . 1 . . . . . . . . 1037 1 112 . 1 1 15 15 LEU HA H 1 3.89 . . 1 . . . . . . . . 1037 1 113 . 1 1 15 15 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 1037 1 114 . 1 1 15 15 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 1037 1 115 . 1 1 15 15 LEU HG H 1 1.69 . . 1 . . . . . . . . 1037 1 116 . 1 1 15 15 LEU HD11 H 1 .82 . . 1 . . . . . . . . 1037 1 117 . 1 1 15 15 LEU HD12 H 1 .82 . . 1 . . . . . . . . 1037 1 118 . 1 1 15 15 LEU HD13 H 1 .82 . . 1 . . . . . . . . 1037 1 119 . 1 1 15 15 LEU HD21 H 1 .82 . . 1 . . . . . . . . 1037 1 120 . 1 1 15 15 LEU HD22 H 1 .82 . . 1 . . . . . . . . 1037 1 121 . 1 1 15 15 LEU HD23 H 1 .82 . . 1 . . . . . . . . 1037 1 122 . 1 1 16 16 GLU H H 1 7.74 . . 1 . . . . . . . . 1037 1 123 . 1 1 16 16 GLU HA H 1 3.82 . . 1 . . . . . . . . 1037 1 124 . 1 1 16 16 GLU HB2 H 1 1.81 . . 2 . . . . . . . . 1037 1 125 . 1 1 16 16 GLU HB3 H 1 1.68 . . 2 . . . . . . . . 1037 1 126 . 1 1 17 17 LEU H H 1 8.18 . . 1 . . . . . . . . 1037 1 127 . 1 1 17 17 LEU HA H 1 3.46 . . 1 . . . . . . . . 1037 1 128 . 1 1 17 17 LEU HB2 H 1 .43 . . 1 . . . . . . . . 1037 1 129 . 1 1 17 17 LEU HB3 H 1 -1.21 . . 1 . . . . . . . . 1037 1 130 . 1 1 17 17 LEU HG H 1 1.03 . . 1 . . . . . . . . 1037 1 131 . 1 1 17 17 LEU HD11 H 1 .37 . . 1 . . . . . . . . 1037 1 132 . 1 1 17 17 LEU HD12 H 1 .37 . . 1 . . . . . . . . 1037 1 133 . 1 1 17 17 LEU HD13 H 1 .37 . . 1 . . . . . . . . 1037 1 134 . 1 1 17 17 LEU HD21 H 1 -.69 . . 1 . . . . . . . . 1037 1 135 . 1 1 17 17 LEU HD22 H 1 -.69 . . 1 . . . . . . . . 1037 1 136 . 1 1 17 17 LEU HD23 H 1 -.69 . . 1 . . . . . . . . 1037 1 137 . 1 1 18 18 GLU H H 1 8.18 . . 1 . . . . . . . . 1037 1 138 . 1 1 18 18 GLU HA H 1 4.19 . . 1 . . . . . . . . 1037 1 139 . 1 1 18 18 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 1037 1 140 . 1 1 18 18 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 1037 1 141 . 1 1 18 18 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 1037 1 142 . 1 1 18 18 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 1037 1 143 . 1 1 19 19 LYS H H 1 7.77 . . 1 . . . . . . . . 1037 1 144 . 1 1 19 19 LYS HA H 1 3.95 . . 1 . . . . . . . . 1037 1 145 . 1 1 19 19 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 1037 1 146 . 1 1 19 19 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 1037 1 147 . 1 1 19 19 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 1037 1 148 . 1 1 19 19 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 1037 1 149 . 1 1 19 19 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 1037 1 150 . 1 1 19 19 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 1037 1 151 . 1 1 19 19 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 1037 1 152 . 1 1 19 19 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 1037 1 153 . 1 1 20 20 GLU H H 1 7.95 . . 1 . . . . . . . . 1037 1 154 . 1 1 20 20 GLU HA H 1 4.18 . . 1 . . . . . . . . 1037 1 155 . 1 1 20 20 GLU HB2 H 1 2.3 . . 1 . . . . . . . . 1037 1 156 . 1 1 20 20 GLU HB3 H 1 2.3 . . 1 . . . . . . . . 1037 1 157 . 1 1 20 20 GLU HG2 H 1 2.49 . . 1 . . . . . . . . 1037 1 158 . 1 1 20 20 GLU HG3 H 1 2.49 . . 1 . . . . . . . . 1037 1 159 . 1 1 21 21 PHE H H 1 8.91 . . 1 . . . . . . . . 1037 1 160 . 1 1 21 21 PHE HA H 1 4.39 . . 1 . . . . . . . . 1037 1 161 . 1 1 21 21 PHE HB2 H 1 2.98 . . 1 . . . . . . . . 1037 1 162 . 1 1 21 21 PHE HB3 H 1 3.07 . . 1 . . . . . . . . 1037 1 163 . 1 1 21 21 PHE HD1 H 1 6.86 . . 1 . . . . . . . . 1037 1 164 . 1 1 21 21 PHE HD2 H 1 6.86 . . 1 . . . . . . . . 1037 1 165 . 1 1 21 21 PHE HE1 H 1 6.96 . . 1 . . . . . . . . 1037 1 166 . 1 1 21 21 PHE HE2 H 1 6.96 . . 1 . . . . . . . . 1037 1 167 . 1 1 21 21 PHE HZ H 1 6.53 . . 1 . . . . . . . . 1037 1 168 . 1 1 22 22 HIS H H 1 7.81 . . 1 . . . . . . . . 1037 1 169 . 1 1 22 22 HIS HA H 1 4.06 . . 1 . . . . . . . . 1037 1 170 . 1 1 22 22 HIS HB2 H 1 3.22 . . 1 . . . . . . . . 1037 1 171 . 1 1 22 22 HIS HB3 H 1 3.22 . . 1 . . . . . . . . 1037 1 172 . 1 1 22 22 HIS HD2 H 1 6.95 . . 1 . . . . . . . . 1037 1 173 . 1 1 22 22 HIS HE1 H 1 8.62 . . 1 . . . . . . . . 1037 1 174 . 1 1 23 23 PHE H H 1 7.56 . . 1 . . . . . . . . 1037 1 175 . 1 1 23 23 PHE HA H 1 4.38 . . 1 . . . . . . . . 1037 1 176 . 1 1 23 23 PHE HB2 H 1 3.13 . . 1 . . . . . . . . 1037 1 177 . 1 1 23 23 PHE HB3 H 1 3.2 . . 1 . . . . . . . . 1037 1 178 . 1 1 23 23 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 1037 1 179 . 1 1 23 23 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 1037 1 180 . 1 1 23 23 PHE HE1 H 1 7.3 . . 1 . . . . . . . . 1037 1 181 . 1 1 23 23 PHE HE2 H 1 7.3 . . 1 . . . . . . . . 1037 1 182 . 1 1 23 23 PHE HZ H 1 7.3 . . 1 . . . . . . . . 1037 1 183 . 1 1 24 24 ASN H H 1 8.27 . . 1 . . . . . . . . 1037 1 184 . 1 1 24 24 ASN HA H 1 4.49 . . 1 . . . . . . . . 1037 1 185 . 1 1 24 24 ASN HB2 H 1 2.71 . . 1 . . . . . . . . 1037 1 186 . 1 1 24 24 ASN HB3 H 1 2.71 . . 1 . . . . . . . . 1037 1 187 . 1 1 24 24 ASN HD21 H 1 7.14 . . 2 . . . . . . . . 1037 1 188 . 1 1 24 24 ASN HD22 H 1 7.9 . . 2 . . . . . . . . 1037 1 189 . 1 1 25 25 ARG H H 1 8.15 . . 1 . . . . . . . . 1037 1 190 . 1 1 25 25 ARG HA H 1 3.57 . . 1 . . . . . . . . 1037 1 191 . 1 1 25 25 ARG HB2 H 1 .89 . . 1 . . . . . . . . 1037 1 192 . 1 1 25 25 ARG HB3 H 1 1.19 . . 1 . . . . . . . . 1037 1 193 . 1 1 25 25 ARG HG2 H 1 .86 . . 2 . . . . . . . . 1037 1 194 . 1 1 25 25 ARG HG3 H 1 .07 . . 2 . . . . . . . . 1037 1 195 . 1 1 25 25 ARG HD2 H 1 1.81 . . 1 . . . . . . . . 1037 1 196 . 1 1 25 25 ARG HD3 H 1 1.81 . . 1 . . . . . . . . 1037 1 197 . 1 1 25 25 ARG HE H 1 6.51 . . 1 . . . . . . . . 1037 1 198 . 1 1 25 25 ARG HH11 H 1 6.26 . . 1 . . . . . . . . 1037 1 199 . 1 1 25 25 ARG HH12 H 1 6.26 . . 1 . . . . . . . . 1037 1 200 . 1 1 25 25 ARG HH21 H 1 6.26 . . 1 . . . . . . . . 1037 1 201 . 1 1 25 25 ARG HH22 H 1 6.26 . . 1 . . . . . . . . 1037 1 202 . 1 1 26 26 TYR H H 1 7.65 . . 1 . . . . . . . . 1037 1 203 . 1 1 26 26 TYR HA H 1 4.5 . . 1 . . . . . . . . 1037 1 204 . 1 1 26 26 TYR HB2 H 1 2.59 . . 1 . . . . . . . . 1037 1 205 . 1 1 26 26 TYR HB3 H 1 2.85 . . 1 . . . . . . . . 1037 1 206 . 1 1 26 26 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 1037 1 207 . 1 1 26 26 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 1037 1 208 . 1 1 26 26 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 1037 1 209 . 1 1 26 26 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 1037 1 210 . 1 1 27 27 LEU H H 1 8.36 . . 1 . . . . . . . . 1037 1 211 . 1 1 27 27 LEU HA H 1 4.5 . . 1 . . . . . . . . 1037 1 212 . 1 1 27 27 LEU HB2 H 1 1.44 . . 1 . . . . . . . . 1037 1 213 . 1 1 27 27 LEU HB3 H 1 1.15 . . 1 . . . . . . . . 1037 1 214 . 1 1 27 27 LEU HG H 1 .6 . . 1 . . . . . . . . 1037 1 215 . 1 1 27 27 LEU HD11 H 1 .14 . . 1 . . . . . . . . 1037 1 216 . 1 1 27 27 LEU HD12 H 1 .14 . . 1 . . . . . . . . 1037 1 217 . 1 1 27 27 LEU HD13 H 1 .14 . . 1 . . . . . . . . 1037 1 218 . 1 1 27 27 LEU HD21 H 1 .37 . . 1 . . . . . . . . 1037 1 219 . 1 1 27 27 LEU HD22 H 1 .37 . . 1 . . . . . . . . 1037 1 220 . 1 1 27 27 LEU HD23 H 1 .37 . . 1 . . . . . . . . 1037 1 221 . 1 1 28 28 THR H H 1 7.49 . . 1 . . . . . . . . 1037 1 222 . 1 1 28 28 THR HA H 1 4.34 . . 1 . . . . . . . . 1037 1 223 . 1 1 28 28 THR HB H 1 4.6 . . 1 . . . . . . . . 1037 1 224 . 1 1 28 28 THR HG21 H 1 1.28 . . 1 . . . . . . . . 1037 1 225 . 1 1 28 28 THR HG22 H 1 1.28 . . 1 . . . . . . . . 1037 1 226 . 1 1 28 28 THR HG23 H 1 1.28 . . 1 . . . . . . . . 1037 1 227 . 1 1 29 29 ARG H H 1 8.85 . . 1 . . . . . . . . 1037 1 228 . 1 1 29 29 ARG HA H 1 3.76 . . 1 . . . . . . . . 1037 1 229 . 1 1 29 29 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 1037 1 230 . 1 1 29 29 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 1037 1 231 . 1 1 29 29 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 1037 1 232 . 1 1 29 29 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 1037 1 233 . 1 1 29 29 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 1037 1 234 . 1 1 29 29 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 1037 1 235 . 1 1 29 29 ARG HE H 1 7.65 . . 1 . . . . . . . . 1037 1 236 . 1 1 30 30 ARG H H 1 8.3 . . 1 . . . . . . . . 1037 1 237 . 1 1 30 30 ARG HA H 1 3.85 . . 1 . . . . . . . . 1037 1 238 . 1 1 30 30 ARG HB2 H 1 1.62 . . 2 . . . . . . . . 1037 1 239 . 1 1 30 30 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 1037 1 240 . 1 1 30 30 ARG HG2 H 1 1.49 . . 1 . . . . . . . . 1037 1 241 . 1 1 30 30 ARG HG3 H 1 1.49 . . 1 . . . . . . . . 1037 1 242 . 1 1 30 30 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 1037 1 243 . 1 1 30 30 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 1037 1 244 . 1 1 30 30 ARG HE H 1 7.23 . . 1 . . . . . . . . 1037 1 245 . 1 1 31 31 ARG H H 1 7.63 . . 1 . . . . . . . . 1037 1 246 . 1 1 31 31 ARG HA H 1 4.05 . . 1 . . . . . . . . 1037 1 247 . 1 1 31 31 ARG HB2 H 1 1.85 . . 2 . . . . . . . . 1037 1 248 . 1 1 31 31 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 1037 1 249 . 1 1 31 31 ARG HG2 H 1 1.72 . . 2 . . . . . . . . 1037 1 250 . 1 1 31 31 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 1037 1 251 . 1 1 31 31 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 1037 1 252 . 1 1 31 31 ARG HD3 H 1 3.42 . . 2 . . . . . . . . 1037 1 253 . 1 1 31 31 ARG HE H 1 7.72 . . 1 . . . . . . . . 1037 1 254 . 1 1 32 32 ARG H H 1 8.44 . . 1 . . . . . . . . 1037 1 255 . 1 1 32 32 ARG HA H 1 3.64 . . 1 . . . . . . . . 1037 1 256 . 1 1 32 32 ARG HB2 H 1 1.98 . . 1 . . . . . . . . 1037 1 257 . 1 1 32 32 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 1037 1 258 . 1 1 32 32 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 1037 1 259 . 1 1 32 32 ARG HG3 H 1 1.39 . . 2 . . . . . . . . 1037 1 260 . 1 1 32 32 ARG HD2 H 1 3.25 . . 2 . . . . . . . . 1037 1 261 . 1 1 32 32 ARG HD3 H 1 3.44 . . 2 . . . . . . . . 1037 1 262 . 1 1 32 32 ARG HE H 1 8.01 . . 1 . . . . . . . . 1037 1 263 . 1 1 33 33 ILE H H 1 7.92 . . 1 . . . . . . . . 1037 1 264 . 1 1 33 33 ILE HA H 1 3.44 . . 1 . . . . . . . . 1037 1 265 . 1 1 33 33 ILE HB H 1 1.78 . . 1 . . . . . . . . 1037 1 266 . 1 1 33 33 ILE HG12 H 1 .96 . . 2 . . . . . . . . 1037 1 267 . 1 1 33 33 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 1037 1 268 . 1 1 33 33 ILE HG21 H 1 .75 . . 1 . . . . . . . . 1037 1 269 . 1 1 33 33 ILE HG22 H 1 .75 . . 1 . . . . . . . . 1037 1 270 . 1 1 33 33 ILE HG23 H 1 .75 . . 1 . . . . . . . . 1037 1 271 . 1 1 33 33 ILE HD11 H 1 .75 . . 1 . . . . . . . . 1037 1 272 . 1 1 33 33 ILE HD12 H 1 .75 . . 1 . . . . . . . . 1037 1 273 . 1 1 33 33 ILE HD13 H 1 .75 . . 1 . . . . . . . . 1037 1 274 . 1 1 34 34 GLU H H 1 7.69 . . 1 . . . . . . . . 1037 1 275 . 1 1 34 34 GLU HA H 1 4.00 . . 1 . . . . . . . . 1037 1 276 . 1 1 34 34 GLU HB2 H 1 2.26 . . 2 . . . . . . . . 1037 1 277 . 1 1 34 34 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 1037 1 278 . 1 1 34 34 GLU HG2 H 1 2.53 . . 1 . . . . . . . . 1037 1 279 . 1 1 34 34 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 1037 1 280 . 1 1 35 35 ILE H H 1 8.61 . . 1 . . . . . . . . 1037 1 281 . 1 1 35 35 ILE HA H 1 3.77 . . 1 . . . . . . . . 1037 1 282 . 1 1 35 35 ILE HB H 1 1.7 . . 1 . . . . . . . . 1037 1 283 . 1 1 35 35 ILE HG12 H 1 1.66 . . 1 . . . . . . . . 1037 1 284 . 1 1 35 35 ILE HG13 H 1 1.00 . . 1 . . . . . . . . 1037 1 285 . 1 1 35 35 ILE HG21 H 1 .8 . . 1 . . . . . . . . 1037 1 286 . 1 1 35 35 ILE HG22 H 1 .8 . . 1 . . . . . . . . 1037 1 287 . 1 1 35 35 ILE HG23 H 1 .8 . . 1 . . . . . . . . 1037 1 288 . 1 1 35 35 ILE HD11 H 1 .66 . . 1 . . . . . . . . 1037 1 289 . 1 1 35 35 ILE HD12 H 1 .66 . . 1 . . . . . . . . 1037 1 290 . 1 1 35 35 ILE HD13 H 1 .66 . . 1 . . . . . . . . 1037 1 291 . 1 1 36 36 ALA H H 1 8.29 . . 1 . . . . . . . . 1037 1 292 . 1 1 36 36 ALA HA H 1 3.68 . . 1 . . . . . . . . 1037 1 293 . 1 1 36 36 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 1037 1 294 . 1 1 36 36 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 1037 1 295 . 1 1 36 36 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 1037 1 296 . 1 1 37 37 HIS H H 1 7.99 . . 1 . . . . . . . . 1037 1 297 . 1 1 37 37 HIS HA H 1 4.44 . . 1 . . . . . . . . 1037 1 298 . 1 1 37 37 HIS HB2 H 1 3.3 . . 1 . . . . . . . . 1037 1 299 . 1 1 37 37 HIS HB3 H 1 3.3 . . 1 . . . . . . . . 1037 1 300 . 1 1 37 37 HIS HD2 H 1 7.36 . . 1 . . . . . . . . 1037 1 301 . 1 1 37 37 HIS HE1 H 1 8.56 . . 1 . . . . . . . . 1037 1 302 . 1 1 38 38 ALA H H 1 8.2 . . 1 . . . . . . . . 1037 1 303 . 1 1 38 38 ALA HA H 1 4.1 . . 1 . . . . . . . . 1037 1 304 . 1 1 38 38 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 1037 1 305 . 1 1 38 38 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 1037 1 306 . 1 1 38 38 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 1037 1 307 . 1 1 39 39 LEU H H 1 8.3 . . 1 . . . . . . . . 1037 1 308 . 1 1 39 39 LEU HA H 1 4.48 . . 1 . . . . . . . . 1037 1 309 . 1 1 39 39 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 1037 1 310 . 1 1 39 39 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 1037 1 311 . 1 1 39 39 LEU HG H 1 1.89 . . 1 . . . . . . . . 1037 1 312 . 1 1 39 39 LEU HD11 H 1 .68 . . 1 . . . . . . . . 1037 1 313 . 1 1 39 39 LEU HD12 H 1 .68 . . 1 . . . . . . . . 1037 1 314 . 1 1 39 39 LEU HD13 H 1 .68 . . 1 . . . . . . . . 1037 1 315 . 1 1 39 39 LEU HD21 H 1 .62 . . 1 . . . . . . . . 1037 1 316 . 1 1 39 39 LEU HD22 H 1 .62 . . 1 . . . . . . . . 1037 1 317 . 1 1 39 39 LEU HD23 H 1 .62 . . 1 . . . . . . . . 1037 1 318 . 1 1 40 40 CYS H H 1 7.92 . . 1 . . . . . . . . 1037 1 319 . 1 1 40 40 CYS HA H 1 4.04 . . 1 . . . . . . . . 1037 1 320 . 1 1 40 40 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 1037 1 321 . 1 1 40 40 CYS HB3 H 1 3.08 . . 2 . . . . . . . . 1037 1 322 . 1 1 41 41 LEU H H 1 8.19 . . 1 . . . . . . . . 1037 1 323 . 1 1 41 41 LEU HA H 1 4.89 . . 1 . . . . . . . . 1037 1 324 . 1 1 41 41 LEU HB2 H 1 1.26 . . 1 . . . . . . . . 1037 1 325 . 1 1 41 41 LEU HB3 H 1 1.57 . . 1 . . . . . . . . 1037 1 326 . 1 1 41 41 LEU HG H 1 1.52 . . 1 . . . . . . . . 1037 1 327 . 1 1 41 41 LEU HD11 H 1 .86 . . 1 . . . . . . . . 1037 1 328 . 1 1 41 41 LEU HD12 H 1 .86 . . 1 . . . . . . . . 1037 1 329 . 1 1 41 41 LEU HD13 H 1 .86 . . 1 . . . . . . . . 1037 1 330 . 1 1 41 41 LEU HD21 H 1 .61 . . 1 . . . . . . . . 1037 1 331 . 1 1 41 41 LEU HD22 H 1 .61 . . 1 . . . . . . . . 1037 1 332 . 1 1 41 41 LEU HD23 H 1 .61 . . 1 . . . . . . . . 1037 1 333 . 1 1 42 42 THR H H 1 8.77 . . 1 . . . . . . . . 1037 1 334 . 1 1 42 42 THR HA H 1 4.54 . . 1 . . . . . . . . 1037 1 335 . 1 1 42 42 THR HB H 1 4.72 . . 1 . . . . . . . . 1037 1 336 . 1 1 42 42 THR HG21 H 1 1.27 . . 1 . . . . . . . . 1037 1 337 . 1 1 42 42 THR HG22 H 1 1.27 . . 1 . . . . . . . . 1037 1 338 . 1 1 42 42 THR HG23 H 1 1.27 . . 1 . . . . . . . . 1037 1 339 . 1 1 43 43 GLU H H 1 9.08 . . 1 . . . . . . . . 1037 1 340 . 1 1 43 43 GLU HA H 1 3.62 . . 1 . . . . . . . . 1037 1 341 . 1 1 43 43 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 1037 1 342 . 1 1 43 43 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 1037 1 343 . 1 1 43 43 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 1037 1 344 . 1 1 43 43 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 1037 1 345 . 1 1 44 44 ARG H H 1 8.31 . . 1 . . . . . . . . 1037 1 346 . 1 1 44 44 ARG HA H 1 3.96 . . 1 . . . . . . . . 1037 1 347 . 1 1 44 44 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 1037 1 348 . 1 1 44 44 ARG HB3 H 1 1.89 . . 2 . . . . . . . . 1037 1 349 . 1 1 44 44 ARG HG2 H 1 1.61 . . 1 . . . . . . . . 1037 1 350 . 1 1 44 44 ARG HG3 H 1 1.61 . . 1 . . . . . . . . 1037 1 351 . 1 1 44 44 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 1037 1 352 . 1 1 44 44 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 1037 1 353 . 1 1 44 44 ARG HE H 1 7.3 . . 1 . . . . . . . . 1037 1 354 . 1 1 45 45 GLN H H 1 7.95 . . 1 . . . . . . . . 1037 1 355 . 1 1 45 45 GLN HA H 1 4.00 . . 1 . . . . . . . . 1037 1 356 . 1 1 45 45 GLN HB2 H 1 2.58 . . 2 . . . . . . . . 1037 1 357 . 1 1 45 45 GLN HB3 H 1 2.41 . . 2 . . . . . . . . 1037 1 358 . 1 1 45 45 GLN HG2 H 1 2.01 . . 2 . . . . . . . . 1037 1 359 . 1 1 45 45 GLN HG3 H 1 2.53 . . 2 . . . . . . . . 1037 1 360 . 1 1 45 45 GLN HE21 H 1 6.84 . . 2 . . . . . . . . 1037 1 361 . 1 1 45 45 GLN HE22 H 1 7.4 . . 2 . . . . . . . . 1037 1 362 . 1 1 46 46 ILE H H 1 7.95 . . 1 . . . . . . . . 1037 1 363 . 1 1 46 46 ILE HA H 1 3.85 . . 1 . . . . . . . . 1037 1 364 . 1 1 46 46 ILE HB H 1 2.11 . . 1 . . . . . . . . 1037 1 365 . 1 1 46 46 ILE HG12 H 1 1.53 . . 1 . . . . . . . . 1037 1 366 . 1 1 46 46 ILE HG13 H 1 1.43 . . 1 . . . . . . . . 1037 1 367 . 1 1 46 46 ILE HG21 H 1 .92 . . 1 . . . . . . . . 1037 1 368 . 1 1 46 46 ILE HG22 H 1 .92 . . 1 . . . . . . . . 1037 1 369 . 1 1 46 46 ILE HG23 H 1 .92 . . 1 . . . . . . . . 1037 1 370 . 1 1 46 46 ILE HD11 H 1 .67 . . 1 . . . . . . . . 1037 1 371 . 1 1 46 46 ILE HD12 H 1 .67 . . 1 . . . . . . . . 1037 1 372 . 1 1 46 46 ILE HD13 H 1 .67 . . 1 . . . . . . . . 1037 1 373 . 1 1 47 47 LYS H H 1 8.49 . . 1 . . . . . . . . 1037 1 374 . 1 1 47 47 LYS HA H 1 3.96 . . 1 . . . . . . . . 1037 1 375 . 1 1 47 47 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 1037 1 376 . 1 1 47 47 LYS HB3 H 1 2.08 . . 1 . . . . . . . . 1037 1 377 . 1 1 47 47 LYS HG2 H 1 1.62 . . 2 . . . . . . . . 1037 1 378 . 1 1 47 47 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 1037 1 379 . 1 1 47 47 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 1037 1 380 . 1 1 47 47 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 1037 1 381 . 1 1 47 47 LYS HE2 H 1 2.78 . . 1 . . . . . . . . 1037 1 382 . 1 1 47 47 LYS HE3 H 1 2.78 . . 1 . . . . . . . . 1037 1 383 . 1 1 47 47 LYS HZ1 H 1 7.48 . . 1 . . . . . . . . 1037 1 384 . 1 1 47 47 LYS HZ2 H 1 7.48 . . 1 . . . . . . . . 1037 1 385 . 1 1 47 47 LYS HZ3 H 1 7.48 . . 1 . . . . . . . . 1037 1 386 . 1 1 48 48 ILE H H 1 8.53 . . 1 . . . . . . . . 1037 1 387 . 1 1 48 48 ILE HA H 1 3.79 . . 1 . . . . . . . . 1037 1 388 . 1 1 48 48 ILE HB H 1 1.9 . . 1 . . . . . . . . 1037 1 389 . 1 1 48 48 ILE HG12 H 1 1.27 . . 2 . . . . . . . . 1037 1 390 . 1 1 48 48 ILE HG13 H 1 1.69 . . 2 . . . . . . . . 1037 1 391 . 1 1 48 48 ILE HG21 H 1 .96 . . 1 . . . . . . . . 1037 1 392 . 1 1 48 48 ILE HG22 H 1 .96 . . 1 . . . . . . . . 1037 1 393 . 1 1 48 48 ILE HG23 H 1 .96 . . 1 . . . . . . . . 1037 1 394 . 1 1 48 48 ILE HD11 H 1 .82 . . 1 . . . . . . . . 1037 1 395 . 1 1 48 48 ILE HD12 H 1 .82 . . 1 . . . . . . . . 1037 1 396 . 1 1 48 48 ILE HD13 H 1 .82 . . 1 . . . . . . . . 1037 1 397 . 1 1 49 49 TRP H H 1 8.12 . . 1 . . . . . . . . 1037 1 398 . 1 1 49 49 TRP HA H 1 3.88 . . 1 . . . . . . . . 1037 1 399 . 1 1 49 49 TRP HB2 H 1 3.24 . . 1 . . . . . . . . 1037 1 400 . 1 1 49 49 TRP HB3 H 1 3.42 . . 1 . . . . . . . . 1037 1 401 . 1 1 49 49 TRP HD1 H 1 6.08 . . 1 . . . . . . . . 1037 1 402 . 1 1 49 49 TRP HE1 H 1 9.93 . . 1 . . . . . . . . 1037 1 403 . 1 1 49 49 TRP HE3 H 1 6.74 . . 1 . . . . . . . . 1037 1 404 . 1 1 49 49 TRP HZ2 H 1 7.13 . . 1 . . . . . . . . 1037 1 405 . 1 1 49 49 TRP HZ3 H 1 5.63 . . 1 . . . . . . . . 1037 1 406 . 1 1 49 49 TRP HH2 H 1 6.35 . . 1 . . . . . . . . 1037 1 407 . 1 1 50 50 PHE H H 1 9.01 . . 1 . . . . . . . . 1037 1 408 . 1 1 50 50 PHE HA H 1 3.79 . . 1 . . . . . . . . 1037 1 409 . 1 1 50 50 PHE HB2 H 1 3.49 . . 1 . . . . . . . . 1037 1 410 . 1 1 50 50 PHE HB3 H 1 3.21 . . 1 . . . . . . . . 1037 1 411 . 1 1 50 50 PHE HD1 H 1 7.68 . . 1 . . . . . . . . 1037 1 412 . 1 1 50 50 PHE HD2 H 1 7.68 . . 1 . . . . . . . . 1037 1 413 . 1 1 50 50 PHE HE1 H 1 7.45 . . 1 . . . . . . . . 1037 1 414 . 1 1 50 50 PHE HE2 H 1 7.45 . . 1 . . . . . . . . 1037 1 415 . 1 1 50 50 PHE HZ H 1 7.13 . . 1 . . . . . . . . 1037 1 416 . 1 1 51 51 GLN H H 1 8.23 . . 1 . . . . . . . . 1037 1 417 . 1 1 51 51 GLN HA H 1 3.96 . . 1 . . . . . . . . 1037 1 418 . 1 1 51 51 GLN HB2 H 1 2.25 . . 1 . . . . . . . . 1037 1 419 . 1 1 51 51 GLN HB3 H 1 2.12 . . 1 . . . . . . . . 1037 1 420 . 1 1 51 51 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 1037 1 421 . 1 1 51 51 GLN HG3 H 1 2.5 . . 2 . . . . . . . . 1037 1 422 . 1 1 51 51 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 1037 1 423 . 1 1 51 51 GLN HE22 H 1 7.54 . . 2 . . . . . . . . 1037 1 424 . 1 1 52 52 ASN H H 1 8.29 . . 1 . . . . . . . . 1037 1 425 . 1 1 52 52 ASN HA H 1 4.31 . . 1 . . . . . . . . 1037 1 426 . 1 1 52 52 ASN HB2 H 1 2.41 . . 2 . . . . . . . . 1037 1 427 . 1 1 52 52 ASN HB3 H 1 2.6 . . 2 . . . . . . . . 1037 1 428 . 1 1 52 52 ASN HD21 H 1 6.89 . . 2 . . . . . . . . 1037 1 429 . 1 1 52 52 ASN HD22 H 1 7.4 . . 2 . . . . . . . . 1037 1 430 . 1 1 53 53 ARG H H 1 8.31 . . 1 . . . . . . . . 1037 1 431 . 1 1 53 53 ARG HA H 1 3.5 . . 1 . . . . . . . . 1037 1 432 . 1 1 53 53 ARG HB2 H 1 -.38 . . 1 . . . . . . . . 1037 1 433 . 1 1 53 53 ARG HB3 H 1 .65 . . 1 . . . . . . . . 1037 1 434 . 1 1 53 53 ARG HG2 H 1 -.64 . . 1 . . . . . . . . 1037 1 435 . 1 1 53 53 ARG HG3 H 1 -.22 . . 1 . . . . . . . . 1037 1 436 . 1 1 53 53 ARG HD2 H 1 1.95 . . 2 . . . . . . . . 1037 1 437 . 1 1 53 53 ARG HD3 H 1 2.36 . . 2 . . . . . . . . 1037 1 438 . 1 1 53 53 ARG HE H 1 9.46 . . 1 . . . . . . . . 1037 1 439 . 1 1 53 53 ARG HH11 H 1 7.07 . . 1 . . . . . . . . 1037 1 440 . 1 1 53 53 ARG HH12 H 1 7.07 . . 1 . . . . . . . . 1037 1 441 . 1 1 53 53 ARG HH21 H 1 7.07 . . 1 . . . . . . . . 1037 1 442 . 1 1 53 53 ARG HH22 H 1 7.07 . . 1 . . . . . . . . 1037 1 443 . 1 1 54 54 ARG H H 1 8.31 . . 1 . . . . . . . . 1037 1 444 . 1 1 54 54 ARG HA H 1 4.18 . . 1 . . . . . . . . 1037 1 445 . 1 1 54 54 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 1037 1 446 . 1 1 54 54 ARG HB3 H 1 2.2 . . 2 . . . . . . . . 1037 1 447 . 1 1 54 54 ARG HG2 H 1 2.25 . . 1 . . . . . . . . 1037 1 448 . 1 1 54 54 ARG HG3 H 1 1.33 . . 1 . . . . . . . . 1037 1 449 . 1 1 54 54 ARG HD2 H 1 2.53 . . 2 . . . . . . . . 1037 1 450 . 1 1 54 54 ARG HD3 H 1 2.82 . . 2 . . . . . . . . 1037 1 451 . 1 1 54 54 ARG HE H 1 7.6 . . 1 . . . . . . . . 1037 1 452 . 1 1 55 55 MET H H 1 7.51 . . 1 . . . . . . . . 1037 1 453 . 1 1 55 55 MET HA H 1 4.25 . . 1 . . . . . . . . 1037 1 454 . 1 1 55 55 MET HB2 H 1 2.14 . . 1 . . . . . . . . 1037 1 455 . 1 1 55 55 MET HB3 H 1 2.19 . . 1 . . . . . . . . 1037 1 456 . 1 1 55 55 MET HG2 H 1 2.74 . . 1 . . . . . . . . 1037 1 457 . 1 1 55 55 MET HG3 H 1 2.61 . . 1 . . . . . . . . 1037 1 458 . 1 1 55 55 MET HE1 H 1 2.13 . . 1 . . . . . . . . 1037 1 459 . 1 1 55 55 MET HE2 H 1 2.13 . . 1 . . . . . . . . 1037 1 460 . 1 1 55 55 MET HE3 H 1 2.13 . . 1 . . . . . . . . 1037 1 461 . 1 1 56 56 LYS H H 1 7.49 . . 1 . . . . . . . . 1037 1 462 . 1 1 56 56 LYS HA H 1 3.96 . . 1 . . . . . . . . 1037 1 463 . 1 1 56 56 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 1037 1 464 . 1 1 56 56 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 1037 1 465 . 1 1 56 56 LYS HG2 H 1 1.35 . . 2 . . . . . . . . 1037 1 466 . 1 1 56 56 LYS HG3 H 1 1.14 . . 2 . . . . . . . . 1037 1 467 . 1 1 56 56 LYS HD2 H 1 1.44 . . 1 . . . . . . . . 1037 1 468 . 1 1 56 56 LYS HD3 H 1 1.44 . . 1 . . . . . . . . 1037 1 469 . 1 1 56 56 LYS HE2 H 1 2.78 . . 1 . . . . . . . . 1037 1 470 . 1 1 56 56 LYS HE3 H 1 2.78 . . 1 . . . . . . . . 1037 1 471 . 1 1 56 56 LYS HZ1 H 1 7.46 . . 1 . . . . . . . . 1037 1 472 . 1 1 56 56 LYS HZ2 H 1 7.46 . . 1 . . . . . . . . 1037 1 473 . 1 1 56 56 LYS HZ3 H 1 7.46 . . 1 . . . . . . . . 1037 1 474 . 1 1 57 57 TRP H H 1 8.13 . . 1 . . . . . . . . 1037 1 475 . 1 1 57 57 TRP HA H 1 4.44 . . 1 . . . . . . . . 1037 1 476 . 1 1 57 57 TRP HB2 H 1 3.28 . . 1 . . . . . . . . 1037 1 477 . 1 1 57 57 TRP HB3 H 1 3.64 . . 1 . . . . . . . . 1037 1 478 . 1 1 57 57 TRP HD1 H 1 7.36 . . 1 . . . . . . . . 1037 1 479 . 1 1 57 57 TRP HE1 H 1 10.22 . . 1 . . . . . . . . 1037 1 480 . 1 1 57 57 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 1037 1 481 . 1 1 57 57 TRP HZ2 H 1 7.38 . . 1 . . . . . . . . 1037 1 482 . 1 1 57 57 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 1037 1 483 . 1 1 57 57 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 1037 1 484 . 1 1 58 58 LYS H H 1 8.24 . . 1 . . . . . . . . 1037 1 485 . 1 1 58 58 LYS HA H 1 3.74 . . 1 . . . . . . . . 1037 1 486 . 1 1 58 58 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 1037 1 487 . 1 1 58 58 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 1037 1 488 . 1 1 58 58 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 1037 1 489 . 1 1 58 58 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 1037 1 490 . 1 1 58 58 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 1037 1 491 . 1 1 58 58 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 1037 1 492 . 1 1 58 58 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 1037 1 493 . 1 1 58 58 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 1037 1 494 . 1 1 58 58 LYS HZ1 H 1 7.44 . . 1 . . . . . . . . 1037 1 495 . 1 1 58 58 LYS HZ2 H 1 7.44 . . 1 . . . . . . . . 1037 1 496 . 1 1 58 58 LYS HZ3 H 1 7.44 . . 1 . . . . . . . . 1037 1 497 . 1 1 59 59 LYS H H 1 7.61 . . 1 . . . . . . . . 1037 1 498 . 1 1 59 59 LYS HA H 1 4.01 . . 1 . . . . . . . . 1037 1 499 . 1 1 59 59 LYS HB2 H 1 1.83 . . 1 . . . . . . . . 1037 1 500 . 1 1 59 59 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 1037 1 501 . 1 1 59 59 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 1037 1 502 . 1 1 59 59 LYS HG3 H 1 1.35 . . 2 . . . . . . . . 1037 1 503 . 1 1 59 59 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 1037 1 504 . 1 1 59 59 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 1037 1 505 . 1 1 59 59 LYS HE2 H 1 2.9 . . 1 . . . . . . . . 1037 1 506 . 1 1 59 59 LYS HE3 H 1 2.9 . . 1 . . . . . . . . 1037 1 507 . 1 1 59 59 LYS HZ1 H 1 7.52 . . 1 . . . . . . . . 1037 1 508 . 1 1 59 59 LYS HZ2 H 1 7.52 . . 1 . . . . . . . . 1037 1 509 . 1 1 59 59 LYS HZ3 H 1 7.52 . . 1 . . . . . . . . 1037 1 510 . 1 1 60 60 GLU H H 1 7.9 . . 1 . . . . . . . . 1037 1 511 . 1 1 60 60 GLU HA H 1 4.08 . . 1 . . . . . . . . 1037 1 512 . 1 1 60 60 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 1037 1 513 . 1 1 60 60 GLU HB3 H 1 1.88 . . 1 . . . . . . . . 1037 1 514 . 1 1 60 60 GLU HG2 H 1 2.2 . . 2 . . . . . . . . 1037 1 515 . 1 1 60 60 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 1037 1 516 . 1 1 61 61 ASN H H 1 7.8 . . 1 . . . . . . . . 1037 1 517 . 1 1 61 61 ASN HA H 1 4.46 . . 1 . . . . . . . . 1037 1 518 . 1 1 61 61 ASN HB2 H 1 2 . . 2 . . . . . . . . 1037 1 519 . 1 1 61 61 ASN HB3 H 1 2.32 . . 2 . . . . . . . . 1037 1 520 . 1 1 61 61 ASN HD21 H 1 6.36 . . 2 . . . . . . . . 1037 1 521 . 1 1 61 61 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 1037 1 522 . 1 1 62 62 LYS H H 1 7.94 . . 1 . . . . . . . . 1037 1 523 . 1 1 62 62 LYS HA H 1 4.23 . . 1 . . . . . . . . 1037 1 524 . 1 1 62 62 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 1037 1 525 . 1 1 62 62 LYS HB3 H 1 1.8 . . 1 . . . . . . . . 1037 1 526 . 1 1 62 62 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 1037 1 527 . 1 1 62 62 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 1037 1 528 . 1 1 62 62 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 1037 1 529 . 1 1 62 62 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 1037 1 530 . 1 1 62 62 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 1037 1 531 . 1 1 62 62 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 1037 1 532 . 1 1 62 62 LYS HZ1 H 1 7.55 . . 1 . . . . . . . . 1037 1 533 . 1 1 62 62 LYS HZ2 H 1 7.55 . . 1 . . . . . . . . 1037 1 534 . 1 1 62 62 LYS HZ3 H 1 7.55 . . 1 . . . . . . . . 1037 1 535 . 1 1 63 63 THR H H 1 8.07 . . 1 . . . . . . . . 1037 1 536 . 1 1 63 63 THR HA H 1 4.24 . . 1 . . . . . . . . 1037 1 537 . 1 1 63 63 THR HB H 1 4.16 . . 1 . . . . . . . . 1037 1 538 . 1 1 63 63 THR HG21 H 1 1.14 . . 1 . . . . . . . . 1037 1 539 . 1 1 63 63 THR HG22 H 1 1.14 . . 1 . . . . . . . . 1037 1 540 . 1 1 63 63 THR HG23 H 1 1.14 . . 1 . . . . . . . . 1037 1 541 . 1 1 64 64 LYS H H 1 8.27 . . 1 . . . . . . . . 1037 1 542 . 1 1 64 64 LYS HA H 1 4.24 . . 1 . . . . . . . . 1037 1 543 . 1 1 64 64 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 1037 1 544 . 1 1 64 64 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 1037 1 545 . 1 1 64 64 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 1037 1 546 . 1 1 64 64 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 1037 1 547 . 1 1 64 64 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 1037 1 548 . 1 1 64 64 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 1037 1 549 . 1 1 64 64 LYS HE2 H 1 3.14 . . 1 . . . . . . . . 1037 1 550 . 1 1 64 64 LYS HE3 H 1 3.14 . . 1 . . . . . . . . 1037 1 551 . 1 1 65 65 GLY H H 1 8.37 . . 1 . . . . . . . . 1037 1 552 . 1 1 65 65 GLY HA2 H 1 3.89 . . 1 . . . . . . . . 1037 1 553 . 1 1 65 65 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 1037 1 554 . 1 1 66 66 GLU H H 1 8.08 . . 1 . . . . . . . . 1037 1 555 . 1 1 66 66 GLU HA H 1 4.61 . . 1 . . . . . . . . 1037 1 556 . 1 1 66 66 GLU HB2 H 1 1.85 . . 1 . . . . . . . . 1037 1 557 . 1 1 66 66 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 1037 1 558 . 1 1 66 66 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 1037 1 559 . 1 1 66 66 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 1037 1 560 . 1 1 67 67 PRO HA H 1 4.38 . . 1 . . . . . . . . 1037 1 561 . 1 1 67 67 PRO HB2 H 1 1.91 . . 2 . . . . . . . . 1037 1 562 . 1 1 67 67 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 1037 1 563 . 1 1 67 67 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 1037 1 564 . 1 1 67 67 PRO HG3 H 1 1.99 . . 2 . . . . . . . . 1037 1 565 . 1 1 67 67 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 1037 1 566 . 1 1 67 67 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 1037 1 567 . 1 1 68 68 GLY H H 1 8.05 . . 1 . . . . . . . . 1037 1 568 . 1 1 68 68 GLY HA2 H 1 3.73 . . 1 . . . . . . . . 1037 1 569 . 1 1 68 68 GLY HA3 H 1 3.73 . . 1 . . . . . . . . 1037 1 stop_ save_