data_15476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15476 _Entry.Title ; Solution NMR structure of the folded N-terminal fragment of UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384-1-46. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-18 _Entry.Accession_date 2007-09-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 James Aramini . M. . 15476 2 Seema Sharma . . . 15476 3 Yuanpeng Huang . J. . 15476 4 Li Zhao . . . 15476 5 Leah Owens . A. . 15476 6 Kate Stokes . . . 15476 7 Mei Jiang . . . 15476 8 Rong Xiao . . . 15476 9 Micheal Baran . C. . 15476 10 Gurla Swapna . V.T. . 15476 11 Thomas Acton . B. . 15476 12 Gaetano Montelione . T. . 15476 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 15476 '15N chemical shifts' 52 15476 '1H chemical shifts' 356 15476 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 3 . . 2009-06-18 2007-09-18 update BMRB 'added time domain data' 15476 2 . . 2008-07-03 2007-09-18 update BMRB 'complete entry citation' 15476 1 . . 2007-09-21 2007-09-18 original author 'original release' 15476 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HEP 'structure of full length ynzC' 15476 PDB 2JVD 'BMRB Entry Tracking System' 15476 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15476 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18431750 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 72 _Citation.Journal_issue 1 _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 526 _Citation.Page_last 530 _Citation.Year 2008 _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 James Aramini . M. . 15476 1 2 Seema Sharma . . . 15476 1 3 Yuanpeng Huang . J. . 15476 1 4 Gurla Swapna . V.T. . 15476 1 5 'Chi Kent' Ho . . . 15476 1 6 Karishma Shetty . . . 15476 1 7 Kellie Cunningham . . . 15476 1 8 Li-Chung Ma . . . 15476 1 9 Li Zhao . . . 15476 1 10 Leah Owens . A. . 15476 1 11 Mei Jiang . . . 15476 1 12 Rong Xiao . . . 15476 1 13 Jinfeng Liu . . . 15476 1 14 Micheal Baran . C. . 15476 1 15 Thomas Acton . B. . 15476 1 16 Burkhard Rost . . . 15476 1 17 Gaetano Montelione . T. . 15476 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'construct optimization' 15476 1 NMR 15476 1 solution 15476 1 structure 15476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15476 _Assembly.ID 1 _Assembly.Name SR384-1-46 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass 6290.30 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 SR384-1-46 1 $SR384-1-46 A . yes native no no . . . 15476 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 2HEP . . 'solution NMR' . 'structure of full length ynzC' . 15476 1 yes PDB 2JVD . . 'solution NMR' . 'structure of full length ynzC' ; THE FINAL STRUCTURES ARE BASED ON A TOTAL OF 1022 CONFORMATIONALLY-RESTRICTING NOE-DERIVED DISTANCE CONSTRAINTS, 68 DIHEDRAL ANGLE CONSTRAINTS, AND 48 HYDROGEN BOND CONSTRAINTS (25.9 CONSTRAINTS PER RESIDUE, 4.4 LONG RANGE CONSTRAINTS PER RESIDUE, COMPUTED FOR RESIDUES 1 TO 48 BY PSVS 1.3). STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA 2.1. THE 20 STRUCTURES OUT OF 100 WITH THE LOWEST TARGET FUNCTION WERE FURTHER REFINED BY RESTRAINED MOLECULAR DYNAMICS/ENERGY MINIMIZATION IN EXPLICIT WATER (CNS) WITH PARAM19. THE PROTEIN IS MONOMERIC BY STATIC LIGHT SCATTERING. THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE NMR SPECTROSCOPY. AUTOMATED BACKBONE ASSIGNMENTS WERE MADE USING AUTOASSIGN, AND THE SIDE CHAIN ASSIGNMENTS WERE COMPLETED MANUALLY. AUTOMATIC NOESY ASSIGNMENTS WERE DETERMINED USING CYANA 2.1. DIHEDRAL ANGLE CONSTRAINTS WERE OBTAINED FROM TALOS. HYDROGEN BOND CONSTRAINTS WERE DETERMINED USING BOTH AUTOSTRUCTURE AND CYANA, AND WERE APPLIED ONLY IN THE FINAL REFINEMENT STAGE (CNS) OF THE STRUCTURE DETERMINATION. COMPLETENESS OF NMR ASSIGNMENTS (EXCLUDING C-TERMINAL HHHHHH): BACKBONE, 98.8%, SIDE CHAIN, 96.9%, AROMATICS, 100%, STEREOSPECIFIC METHYL, 100%, STEREOSPECIFIC SIDE CHAIN NH2: 100%. FINAL STRUCTURE QUALITY FACTORS (FOR RESIDUES 1 TO 48, PSVS 1.3), WHERE ORDERED RESIDUES [S(PHI) + S(PSI) > 1.8] COMPRISE: 2-38: (A) RMSD (ORDERED RESIDUES): BB, 0.4, HEAVY ATOM, 0.9. (B) RAMACHANDRAN STATISTICS FOR ORDERED RESIDUES: MOST FAVORED, 98.6%, ADDITIONALLY ALLOWED, 1.4%, GENEROUSLY ALLOWED, 0.0%, DISALLOWED, 0.0%. (C) PROCHECK SCORES FOR ORDERED RESIDUES (RAW/Z-): PHI-PSI, 0.53/2.40, ALL, 0.50/2.96. (D) MOLPROBITY CLASH SCORE (RAW/Z-): 15.44/-1.12. (E) RPF SCORES FOR GOODNESS OF FIT TO NOESY DATA (RESIDUES 1-48): RECALL, 0.988, PRECISION, 0.944, F-MEASURE, 0.966, DP-SCORE, 0.822. (F) NUMBER OF CLOSE CONTACTS PER 20 MODELS: NONE. THE C- TERMINAL HIS TAG RESIDUES OF THE PROTEIN (HHHHHH) WERE NOT INCLUDED IN THE STRUCTURE CALCULATIONS AND HAVE BEEN OMITTED FROM THIS DEPOSITION. COORDINATES FOR THE FOLLOWING RESIDUES ARE NOT WELL DETERMINED [S(PHI) + S(PSI) < 1.8]: 1,39-48. ; 15476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SR384-1-46 _Entity.Sf_category entity _Entity.Sf_framecode SR384-1-46 _Entity.Entry_ID 15476 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SR384-1-46 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MISNAKIARINELAAKAKAG VITEEEKAEQQKLRQEYLKG FRSSMKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C-terminal LEHHHHHH purification tag starting at residue 47.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-46 of ynzC from Bacillus subtilis' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6290.301 _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 PDB 2HEP . "Solution Nmr Structure Of The Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural Genomics Target Sr384" . . . . . 85.19 85 100.00 100.00 2.71e-22 . . . . 15476 1 2 no PDB 2JVD . "Solution Nmr Structure Of The Folded N-Terminal Fragment Of Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural G" . . . . . 100.00 54 100.00 100.00 2.36e-28 . . . . 15476 1 3 no DBJ BAI85472 . "hypothetical protein BSNT_08369 [Bacillus subtilis subsp. natto BEST195]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 4 no DBJ BAM52440 . "hypothetical protein BEST7613_3509 [Synechocystis sp. PCC 6803]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 5 no DBJ BAM58016 . "hypothetical protein BEST7003_1815 [Bacillus subtilis BEST7003]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 6 no DBJ GAK81555 . "hypothetical protein BSMD_034710 [Bacillus subtilis Miyagi-4]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 7 no EMBL CAB13672 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 8 no EMBL CCU58402 . "hypothetical protein BSUBE1_1771 [Bacillus subtilis E1]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 9 no EMBL CEI56979 . "hypothetical protein BS49_19830 [Bacillus subtilis]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 10 no EMBL CEJ77403 . "hypothetical protein BS34A_19820 [Bacillus sp.]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 11 no EMBL CJS75223 . "Uncharacterized protein conserved in bacteria [Streptococcus pneumoniae]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 12 no GB ADV92690 . "hypothetical protein BSn5_00270 [Bacillus subtilis BSn5]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 13 no GB AEP86787 . "conserved hypothetical protein [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 85.19 77 97.83 100.00 1.07e-21 . . . . 15476 1 14 no GB AEP90959 . "hypothetical protein I33_2000 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 15 no GB AFI28488 . "hypothetical protein MY9_1953 [Bacillus sp. JS]" . . . . . 85.19 77 97.83 100.00 7.23e-22 . . . . 15476 1 16 no GB AFQ57722 . "YnzC [Bacillus subtilis QB928]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 17 no REF NP_389671 . "hypothetical protein BSU17880 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 18 no REF WP_003231595 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 19 no REF WP_010330660 . "hypothetical protein [Bacillus vallismortis]" . . . . . 85.19 77 97.83 97.83 2.39e-21 . . . . 15476 1 20 no REF WP_014113934 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 85.19 77 97.83 100.00 1.07e-21 . . . . 15476 1 21 no REF WP_014664125 . "hypothetical protein [Bacillus sp. JS]" . . . . . 85.19 77 97.83 100.00 7.23e-22 . . . . 15476 1 22 no SP O31818 . "RecName: Full=UPF0291 protein YnzC" . . . . . 85.19 77 100.00 100.00 3.55e-22 . . . . 15476 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 15476 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 . 15476 1 2 . ILE . 15476 1 3 . SER . 15476 1 4 . ASN . 15476 1 5 . ALA . 15476 1 6 . LYS . 15476 1 7 . ILE . 15476 1 8 . ALA . 15476 1 9 . ARG . 15476 1 10 . ILE . 15476 1 11 . ASN . 15476 1 12 . GLU . 15476 1 13 . LEU . 15476 1 14 . ALA . 15476 1 15 . ALA . 15476 1 16 . LYS . 15476 1 17 . ALA . 15476 1 18 . LYS . 15476 1 19 . ALA . 15476 1 20 . GLY . 15476 1 21 . VAL . 15476 1 22 . ILE . 15476 1 23 . THR . 15476 1 24 . GLU . 15476 1 25 . GLU . 15476 1 26 . GLU . 15476 1 27 . LYS . 15476 1 28 . ALA . 15476 1 29 . GLU . 15476 1 30 . GLN . 15476 1 31 . GLN . 15476 1 32 . LYS . 15476 1 33 . LEU . 15476 1 34 . ARG . 15476 1 35 . GLN . 15476 1 36 . GLU . 15476 1 37 . TYR . 15476 1 38 . LEU . 15476 1 39 . LYS . 15476 1 40 . GLY . 15476 1 41 . PHE . 15476 1 42 . ARG . 15476 1 43 . SER . 15476 1 44 . SER . 15476 1 45 . MET . 15476 1 46 . LYS . 15476 1 47 . LEU . 15476 1 48 . GLU . 15476 1 49 . HIS . 15476 1 50 . HIS . 15476 1 51 . HIS . 15476 1 52 . HIS . 15476 1 53 . HIS . 15476 1 54 . HIS . 15476 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 15476 1 . ILE 2 2 15476 1 . SER 3 3 15476 1 . ASN 4 4 15476 1 . ALA 5 5 15476 1 . LYS 6 6 15476 1 . ILE 7 7 15476 1 . ALA 8 8 15476 1 . ARG 9 9 15476 1 . ILE 10 10 15476 1 . ASN 11 11 15476 1 . GLU 12 12 15476 1 . LEU 13 13 15476 1 . ALA 14 14 15476 1 . ALA 15 15 15476 1 . LYS 16 16 15476 1 . ALA 17 17 15476 1 . LYS 18 18 15476 1 . ALA 19 19 15476 1 . GLY 20 20 15476 1 . VAL 21 21 15476 1 . ILE 22 22 15476 1 . THR 23 23 15476 1 . GLU 24 24 15476 1 . GLU 25 25 15476 1 . GLU 26 26 15476 1 . LYS 27 27 15476 1 . ALA 28 28 15476 1 . GLU 29 29 15476 1 . GLN 30 30 15476 1 . GLN 31 31 15476 1 . LYS 32 32 15476 1 . LEU 33 33 15476 1 . ARG 34 34 15476 1 . GLN 35 35 15476 1 . GLU 36 36 15476 1 . TYR 37 37 15476 1 . LEU 38 38 15476 1 . LYS 39 39 15476 1 . GLY 40 40 15476 1 . PHE 41 41 15476 1 . ARG 42 42 15476 1 . SER 43 43 15476 1 . SER 44 44 15476 1 . MET 45 45 15476 1 . LYS 46 46 15476 1 . LEU 47 47 15476 1 . GLU 48 48 15476 1 . HIS 49 49 15476 1 . HIS 50 50 15476 1 . HIS 51 51 15476 1 . HIS 52 52 15476 1 . HIS 53 53 15476 1 . HIS 54 54 15476 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 15476 _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 $SR384-1-46 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15476 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 15476 _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 $SR384-1-46 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)MGK . . . . . . . . . . . . . . . SR384-1-46-21.1 . . . 'pET21 vector' . . 15476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15476 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SR384-1-46 '[U-100% 13C; U-100% 15N]' . . 1 $SR384-1-46 . . 1.36 . . mM . . . . 15476 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15476 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15476 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15476 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15476 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15476 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15476 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SR384-1-46 '[U-5% 13C; U-100% 15N]' . . 1 $SR384-1-46 . . 1.1 . . mM . . . . 15476 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15476 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15476 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15476 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15476 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15476 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15476 _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 'ionic strength' 100 . mM 15476 1 pH 6.5 . pH 15476 1 pressure 1 . atm 15476 1 temperature 293 . K 15476 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15476 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15476 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15476 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15476 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15476 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15476 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15476 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15476 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15476 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15476 _Software.ID 4 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15476 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15476 4 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15476 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15476 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15476 5 'RPF calculation' 15476 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15476 _Software.ID 6 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15476 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15476 6 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 15476 _Software.ID 7 _Software.Name PDBStat _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero and Montelione' . . 15476 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PDB analysis' 15476 7 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15476 _Software.ID 8 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th' . . 15476 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15476 8 stop_ save_ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID 15476 _Software.ID 9 _Software.Name MolProbity _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 15476 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15476 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15476 _Software.ID 10 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15476 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15476 10 'peak picking' 15476 10 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15476 _Software.ID 11 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15476 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15476 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details TXI _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15476 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'HCN cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15476 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 TXI . . 15476 1 2 spectrometer_2 Varian INOVA . 600 'HCN cryoprobe' . . 15476 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 15476 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 2 '2D 1H-13C HSQC (aliph)' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 3 '3D HNCO' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 4 '3D HN(CA)CO' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 5 '3D HNCACB' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 6 '3D HN(CO)CACB' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 7 '3D HBHA(CO)NH' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 8 '3D HCCH-COSY' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 9 '3D CCH-TOCSY' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 10 '3D simultaneous CN-NOESY' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 11 '3D HNHA' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 12 '2D 1H-13C HSQC stereospecific Leu/Val methyl' yes 12 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15476 1 13 '2D 1H-13C HSQC (arom)' yes 13 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15476 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15476 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15476 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 15476 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15476 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15476 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15476 1 2 '2D 1H-13C HSQC (aliph)' . . . 15476 1 3 '3D HNCO' . . . 15476 1 4 '3D HN(CA)CO' . . . 15476 1 10 '3D simultaneous CN-NOESY' . . . 15476 1 13 '2D 1H-13C HSQC (arom)' . . . 15476 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 10 $SPARKY . . 15476 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 4.052 0.02 . 1 . . . . 1 MET HA . 15476 1 2 . 1 1 1 1 MET HB2 H 1 2.093 0.02 . 2 . . . . 1 MET HB2 . 15476 1 3 . 1 1 1 1 MET HB3 H 1 2.093 0.02 . 2 . . . . 1 MET HB3 . 15476 1 4 . 1 1 1 1 MET HG2 H 1 2.644 0.02 . 2 . . . . 1 MET HG2 . 15476 1 5 . 1 1 1 1 MET HG3 H 1 2.644 0.02 . 2 . . . . 1 MET HG3 . 15476 1 6 . 1 1 1 1 MET CA C 13 55.026 0.2 . 1 . . . . 1 MET CA . 15476 1 7 . 1 1 1 1 MET CB C 13 33.405 0.2 . 1 . . . . 1 MET CB . 15476 1 8 . 1 1 1 1 MET CG C 13 31.122 0.2 . 1 . . . . 1 MET CG . 15476 1 9 . 1 1 2 2 ILE HA H 1 4.350 0.02 . 1 . . . . 2 ILE HA . 15476 1 10 . 1 1 2 2 ILE HB H 1 1.918 0.02 . 1 . . . . 2 ILE HB . 15476 1 11 . 1 1 2 2 ILE HD11 H 1 0.866 0.02 . 1 . . . . 2 ILE HD1 . 15476 1 12 . 1 1 2 2 ILE HD12 H 1 0.866 0.02 . 1 . . . . 2 ILE HD1 . 15476 1 13 . 1 1 2 2 ILE HD13 H 1 0.866 0.02 . 1 . . . . 2 ILE HD1 . 15476 1 14 . 1 1 2 2 ILE HG12 H 1 1.571 0.02 . 2 . . . . 2 ILE HG12 . 15476 1 15 . 1 1 2 2 ILE HG13 H 1 1.347 0.02 . 2 . . . . 2 ILE HG13 . 15476 1 16 . 1 1 2 2 ILE HG21 H 1 0.975 0.02 . 1 . . . . 2 ILE HG2 . 15476 1 17 . 1 1 2 2 ILE HG22 H 1 0.975 0.02 . 1 . . . . 2 ILE HG2 . 15476 1 18 . 1 1 2 2 ILE HG23 H 1 0.975 0.02 . 1 . . . . 2 ILE HG2 . 15476 1 19 . 1 1 2 2 ILE C C 13 174.508 0.2 . 1 . . . . 2 ILE C . 15476 1 20 . 1 1 2 2 ILE CA C 13 61.095 0.2 . 1 . . . . 2 ILE CA . 15476 1 21 . 1 1 2 2 ILE CB C 13 39.193 0.2 . 1 . . . . 2 ILE CB . 15476 1 22 . 1 1 2 2 ILE CD1 C 13 13.882 0.2 . 1 . . . . 2 ILE CD1 . 15476 1 23 . 1 1 2 2 ILE CG1 C 13 27.221 0.2 . 1 . . . . 2 ILE CG1 . 15476 1 24 . 1 1 2 2 ILE CG2 C 13 17.466 0.2 . 1 . . . . 2 ILE CG2 . 15476 1 25 . 1 1 3 3 SER H H 1 8.112 0.02 . 1 . . . . 3 SER H . 15476 1 26 . 1 1 3 3 SER HA H 1 4.414 0.02 . 1 . . . . 3 SER HA . 15476 1 27 . 1 1 3 3 SER HB2 H 1 4.219 0.02 . 2 . . . . 3 SER HB2 . 15476 1 28 . 1 1 3 3 SER HB3 H 1 3.973 0.02 . 2 . . . . 3 SER HB3 . 15476 1 29 . 1 1 3 3 SER C C 13 174.652 0.2 . 1 . . . . 3 SER C . 15476 1 30 . 1 1 3 3 SER CA C 13 57.714 0.2 . 1 . . . . 3 SER CA . 15476 1 31 . 1 1 3 3 SER CB C 13 64.725 0.2 . 1 . . . . 3 SER CB . 15476 1 32 . 1 1 3 3 SER N N 15 119.280 0.2 . 1 . . . . 3 SER N . 15476 1 33 . 1 1 4 4 ASN H H 1 8.832 0.02 . 1 . . . . 4 ASN H . 15476 1 34 . 1 1 4 4 ASN HA H 1 4.511 0.02 . 1 . . . . 4 ASN HA . 15476 1 35 . 1 1 4 4 ASN HB2 H 1 2.841 0.02 . 2 . . . . 4 ASN HB2 . 15476 1 36 . 1 1 4 4 ASN HB3 H 1 2.841 0.02 . 2 . . . . 4 ASN HB3 . 15476 1 37 . 1 1 4 4 ASN HD21 H 1 7.725 0.02 . 1 . . . . 4 ASN HD21 . 15476 1 38 . 1 1 4 4 ASN HD22 H 1 7.000 0.02 . 1 . . . . 4 ASN HD22 . 15476 1 39 . 1 1 4 4 ASN C C 13 177.606 0.2 . 1 . . . . 4 ASN C . 15476 1 40 . 1 1 4 4 ASN CA C 13 55.617 0.2 . 1 . . . . 4 ASN CA . 15476 1 41 . 1 1 4 4 ASN CB C 13 37.972 0.2 . 1 . . . . 4 ASN CB . 15476 1 42 . 1 1 4 4 ASN CG C 13 176.271 0.2 . 1 . . . . 4 ASN CG . 15476 1 43 . 1 1 4 4 ASN N N 15 120.760 0.2 . 1 . . . . 4 ASN N . 15476 1 44 . 1 1 4 4 ASN ND2 N 15 112.906 0.2 . 1 . . . . 4 ASN ND2 . 15476 1 45 . 1 1 5 5 ALA H H 1 8.504 0.02 . 1 . . . . 5 ALA H . 15476 1 46 . 1 1 5 5 ALA HA H 1 4.191 0.02 . 1 . . . . 5 ALA HA . 15476 1 47 . 1 1 5 5 ALA HB1 H 1 1.437 0.02 . 1 . . . . 5 ALA HB . 15476 1 48 . 1 1 5 5 ALA HB2 H 1 1.437 0.02 . 1 . . . . 5 ALA HB . 15476 1 49 . 1 1 5 5 ALA HB3 H 1 1.437 0.02 . 1 . . . . 5 ALA HB . 15476 1 50 . 1 1 5 5 ALA C C 13 180.504 0.2 . 1 . . . . 5 ALA C . 15476 1 51 . 1 1 5 5 ALA CA C 13 54.896 0.2 . 1 . . . . 5 ALA CA . 15476 1 52 . 1 1 5 5 ALA CB C 13 18.468 0.2 . 1 . . . . 5 ALA CB . 15476 1 53 . 1 1 5 5 ALA N N 15 123.401 0.2 . 1 . . . . 5 ALA N . 15476 1 54 . 1 1 6 6 LYS H H 1 7.844 0.02 . 1 . . . . 6 LYS H . 15476 1 55 . 1 1 6 6 LYS HA H 1 4.119 0.02 . 1 . . . . 6 LYS HA . 15476 1 56 . 1 1 6 6 LYS HB2 H 1 2.000 0.02 . 2 . . . . 6 LYS HB2 . 15476 1 57 . 1 1 6 6 LYS HB3 H 1 1.717 0.02 . 2 . . . . 6 LYS HB3 . 15476 1 58 . 1 1 6 6 LYS HD2 H 1 1.731 0.02 . 2 . . . . 6 LYS HD2 . 15476 1 59 . 1 1 6 6 LYS HD3 H 1 1.678 0.02 . 2 . . . . 6 LYS HD3 . 15476 1 60 . 1 1 6 6 LYS HE2 H 1 2.983 0.02 . 2 . . . . 6 LYS HE2 . 15476 1 61 . 1 1 6 6 LYS HE3 H 1 2.959 0.02 . 2 . . . . 6 LYS HE3 . 15476 1 62 . 1 1 6 6 LYS HG2 H 1 1.522 0.02 . 2 . . . . 6 LYS HG2 . 15476 1 63 . 1 1 6 6 LYS HG3 H 1 1.388 0.02 . 2 . . . . 6 LYS HG3 . 15476 1 64 . 1 1 6 6 LYS C C 13 178.320 0.2 . 1 . . . . 6 LYS C . 15476 1 65 . 1 1 6 6 LYS CA C 13 59.550 0.2 . 1 . . . . 6 LYS CA . 15476 1 66 . 1 1 6 6 LYS CB C 13 32.639 0.2 . 1 . . . . 6 LYS CB . 15476 1 67 . 1 1 6 6 LYS CD C 13 29.350 0.2 . 1 . . . . 6 LYS CD . 15476 1 68 . 1 1 6 6 LYS CE C 13 42.192 0.2 . 1 . . . . 6 LYS CE . 15476 1 69 . 1 1 6 6 LYS CG C 13 26.773 0.2 . 1 . . . . 6 LYS CG . 15476 1 70 . 1 1 6 6 LYS N N 15 119.908 0.2 . 1 . . . . 6 LYS N . 15476 1 71 . 1 1 7 7 ILE H H 1 7.887 0.02 . 1 . . . . 7 ILE H . 15476 1 72 . 1 1 7 7 ILE HA H 1 3.615 0.02 . 1 . . . . 7 ILE HA . 15476 1 73 . 1 1 7 7 ILE HB H 1 1.928 0.02 . 1 . . . . 7 ILE HB . 15476 1 74 . 1 1 7 7 ILE HD11 H 1 0.863 0.02 . 1 . . . . 7 ILE HD1 . 15476 1 75 . 1 1 7 7 ILE HD12 H 1 0.863 0.02 . 1 . . . . 7 ILE HD1 . 15476 1 76 . 1 1 7 7 ILE HD13 H 1 0.863 0.02 . 1 . . . . 7 ILE HD1 . 15476 1 77 . 1 1 7 7 ILE HG12 H 1 1.655 0.02 . 2 . . . . 7 ILE HG12 . 15476 1 78 . 1 1 7 7 ILE HG13 H 1 1.102 0.02 . 2 . . . . 7 ILE HG13 . 15476 1 79 . 1 1 7 7 ILE HG21 H 1 0.896 0.02 . 1 . . . . 7 ILE HG2 . 15476 1 80 . 1 1 7 7 ILE HG22 H 1 0.896 0.02 . 1 . . . . 7 ILE HG2 . 15476 1 81 . 1 1 7 7 ILE HG23 H 1 0.896 0.02 . 1 . . . . 7 ILE HG2 . 15476 1 82 . 1 1 7 7 ILE C C 13 177.784 0.2 . 1 . . . . 7 ILE C . 15476 1 83 . 1 1 7 7 ILE CA C 13 64.351 0.2 . 1 . . . . 7 ILE CA . 15476 1 84 . 1 1 7 7 ILE CB C 13 37.623 0.2 . 1 . . . . 7 ILE CB . 15476 1 85 . 1 1 7 7 ILE CD1 C 13 12.617 0.2 . 1 . . . . 7 ILE CD1 . 15476 1 86 . 1 1 7 7 ILE CG1 C 13 28.999 0.2 . 1 . . . . 7 ILE CG1 . 15476 1 87 . 1 1 7 7 ILE CG2 C 13 17.205 0.2 . 1 . . . . 7 ILE CG2 . 15476 1 88 . 1 1 7 7 ILE N N 15 120.487 0.2 . 1 . . . . 7 ILE N . 15476 1 89 . 1 1 8 8 ALA H H 1 8.062 0.02 . 1 . . . . 8 ALA H . 15476 1 90 . 1 1 8 8 ALA HA H 1 4.160 0.02 . 1 . . . . 8 ALA HA . 15476 1 91 . 1 1 8 8 ALA HB1 H 1 1.478 0.02 . 1 . . . . 8 ALA HB . 15476 1 92 . 1 1 8 8 ALA HB2 H 1 1.478 0.02 . 1 . . . . 8 ALA HB . 15476 1 93 . 1 1 8 8 ALA HB3 H 1 1.478 0.02 . 1 . . . . 8 ALA HB . 15476 1 94 . 1 1 8 8 ALA C C 13 180.625 0.2 . 1 . . . . 8 ALA C . 15476 1 95 . 1 1 8 8 ALA CA C 13 55.102 0.2 . 1 . . . . 8 ALA CA . 15476 1 96 . 1 1 8 8 ALA CB C 13 17.517 0.2 . 1 . . . . 8 ALA CB . 15476 1 97 . 1 1 8 8 ALA N N 15 121.576 0.2 . 1 . . . . 8 ALA N . 15476 1 98 . 1 1 9 9 ARG H H 1 7.769 0.02 . 1 . . . . 9 ARG H . 15476 1 99 . 1 1 9 9 ARG HA H 1 4.226 0.02 . 1 . . . . 9 ARG HA . 15476 1 100 . 1 1 9 9 ARG HB2 H 1 2.243 0.02 . 2 . . . . 9 ARG HB2 . 15476 1 101 . 1 1 9 9 ARG HB3 H 1 1.969 0.02 . 2 . . . . 9 ARG HB3 . 15476 1 102 . 1 1 9 9 ARG HD2 H 1 3.458 0.02 . 2 . . . . 9 ARG HD2 . 15476 1 103 . 1 1 9 9 ARG HD3 H 1 2.994 0.02 . 2 . . . . 9 ARG HD3 . 15476 1 104 . 1 1 9 9 ARG HE H 1 8.007 0.02 . 1 . . . . 9 ARG HE . 15476 1 105 . 1 1 9 9 ARG HG2 H 1 1.841 0.02 . 2 . . . . 9 ARG HG2 . 15476 1 106 . 1 1 9 9 ARG HG3 H 1 1.460 0.02 . 2 . . . . 9 ARG HG3 . 15476 1 107 . 1 1 9 9 ARG C C 13 178.076 0.2 . 1 . . . . 9 ARG C . 15476 1 108 . 1 1 9 9 ARG CA C 13 57.517 0.2 . 1 . . . . 9 ARG CA . 15476 1 109 . 1 1 9 9 ARG CB C 13 29.638 0.2 . 1 . . . . 9 ARG CB . 15476 1 110 . 1 1 9 9 ARG CD C 13 43.191 0.2 . 1 . . . . 9 ARG CD . 15476 1 111 . 1 1 9 9 ARG CG C 13 26.130 0.2 . 1 . . . . 9 ARG CG . 15476 1 112 . 1 1 9 9 ARG N N 15 120.694 0.2 . 1 . . . . 9 ARG N . 15476 1 113 . 1 1 9 9 ARG NE N 15 85.585 0.2 . 1 . . . . 9 ARG NE . 15476 1 114 . 1 1 10 10 ILE H H 1 8.462 0.02 . 1 . . . . 10 ILE H . 15476 1 115 . 1 1 10 10 ILE HA H 1 3.576 0.02 . 1 . . . . 10 ILE HA . 15476 1 116 . 1 1 10 10 ILE HB H 1 2.041 0.02 . 1 . . . . 10 ILE HB . 15476 1 117 . 1 1 10 10 ILE HD11 H 1 0.682 0.02 . 1 . . . . 10 ILE HD1 . 15476 1 118 . 1 1 10 10 ILE HD12 H 1 0.682 0.02 . 1 . . . . 10 ILE HD1 . 15476 1 119 . 1 1 10 10 ILE HD13 H 1 0.682 0.02 . 1 . . . . 10 ILE HD1 . 15476 1 120 . 1 1 10 10 ILE HG12 H 1 1.905 0.02 . 2 . . . . 10 ILE HG12 . 15476 1 121 . 1 1 10 10 ILE HG13 H 1 0.917 0.02 . 2 . . . . 10 ILE HG13 . 15476 1 122 . 1 1 10 10 ILE HG21 H 1 0.794 0.02 . 1 . . . . 10 ILE HG2 . 15476 1 123 . 1 1 10 10 ILE HG22 H 1 0.794 0.02 . 1 . . . . 10 ILE HG2 . 15476 1 124 . 1 1 10 10 ILE HG23 H 1 0.794 0.02 . 1 . . . . 10 ILE HG2 . 15476 1 125 . 1 1 10 10 ILE C C 13 179.221 0.2 . 1 . . . . 10 ILE C . 15476 1 126 . 1 1 10 10 ILE CA C 13 66.414 0.2 . 1 . . . . 10 ILE CA . 15476 1 127 . 1 1 10 10 ILE CB C 13 37.872 0.2 . 1 . . . . 10 ILE CB . 15476 1 128 . 1 1 10 10 ILE CD1 C 13 13.401 0.2 . 1 . . . . 10 ILE CD1 . 15476 1 129 . 1 1 10 10 ILE CG1 C 13 31.233 0.2 . 1 . . . . 10 ILE CG1 . 15476 1 130 . 1 1 10 10 ILE CG2 C 13 16.531 0.2 . 1 . . . . 10 ILE CG2 . 15476 1 131 . 1 1 10 10 ILE N N 15 121.475 0.2 . 1 . . . . 10 ILE N . 15476 1 132 . 1 1 11 11 ASN H H 1 8.161 0.02 . 1 . . . . 11 ASN H . 15476 1 133 . 1 1 11 11 ASN HA H 1 4.485 0.02 . 1 . . . . 11 ASN HA . 15476 1 134 . 1 1 11 11 ASN HB2 H 1 2.900 0.02 . 2 . . . . 11 ASN HB2 . 15476 1 135 . 1 1 11 11 ASN HB3 H 1 2.811 0.02 . 2 . . . . 11 ASN HB3 . 15476 1 136 . 1 1 11 11 ASN HD21 H 1 7.558 0.02 . 1 . . . . 11 ASN HD21 . 15476 1 137 . 1 1 11 11 ASN HD22 H 1 6.881 0.02 . 1 . . . . 11 ASN HD22 . 15476 1 138 . 1 1 11 11 ASN C C 13 178.124 0.2 . 1 . . . . 11 ASN C . 15476 1 139 . 1 1 11 11 ASN CA C 13 55.961 0.2 . 1 . . . . 11 ASN CA . 15476 1 140 . 1 1 11 11 ASN CB C 13 37.642 0.2 . 1 . . . . 11 ASN CB . 15476 1 141 . 1 1 11 11 ASN CG C 13 175.418 0.2 . 1 . . . . 11 ASN CG . 15476 1 142 . 1 1 11 11 ASN N N 15 119.357 0.2 . 1 . . . . 11 ASN N . 15476 1 143 . 1 1 11 11 ASN ND2 N 15 112.248 0.2 . 1 . . . . 11 ASN ND2 . 15476 1 144 . 1 1 12 12 GLU H H 1 8.528 0.02 . 1 . . . . 12 GLU H . 15476 1 145 . 1 1 12 12 GLU HA H 1 4.111 0.02 . 1 . . . . 12 GLU HA . 15476 1 146 . 1 1 12 12 GLU HB2 H 1 2.264 0.02 . 2 . . . . 12 GLU HB2 . 15476 1 147 . 1 1 12 12 GLU HB3 H 1 2.185 0.02 . 2 . . . . 12 GLU HB3 . 15476 1 148 . 1 1 12 12 GLU HG2 H 1 2.388 0.02 . 2 . . . . 12 GLU HG2 . 15476 1 149 . 1 1 12 12 GLU HG3 H 1 2.010 0.02 . 2 . . . . 12 GLU HG3 . 15476 1 150 . 1 1 12 12 GLU C C 13 179.650 0.2 . 1 . . . . 12 GLU C . 15476 1 151 . 1 1 12 12 GLU CA C 13 59.252 0.2 . 1 . . . . 12 GLU CA . 15476 1 152 . 1 1 12 12 GLU CB C 13 30.026 0.2 . 1 . . . . 12 GLU CB . 15476 1 153 . 1 1 12 12 GLU CG C 13 36.091 0.2 . 1 . . . . 12 GLU CG . 15476 1 154 . 1 1 12 12 GLU N N 15 124.689 0.2 . 1 . . . . 12 GLU N . 15476 1 155 . 1 1 13 13 LEU H H 1 8.669 0.02 . 1 . . . . 13 LEU H . 15476 1 156 . 1 1 13 13 LEU HA H 1 3.948 0.02 . 1 . . . . 13 LEU HA . 15476 1 157 . 1 1 13 13 LEU HB2 H 1 1.939 0.02 . 2 . . . . 13 LEU HB2 . 15476 1 158 . 1 1 13 13 LEU HB3 H 1 1.199 0.02 . 2 . . . . 13 LEU HB3 . 15476 1 159 . 1 1 13 13 LEU HD11 H 1 0.778 0.02 . 1 . . . . 13 LEU HD1 . 15476 1 160 . 1 1 13 13 LEU HD12 H 1 0.778 0.02 . 1 . . . . 13 LEU HD1 . 15476 1 161 . 1 1 13 13 LEU HD13 H 1 0.778 0.02 . 1 . . . . 13 LEU HD1 . 15476 1 162 . 1 1 13 13 LEU HD21 H 1 0.749 0.02 . 1 . . . . 13 LEU HD2 . 15476 1 163 . 1 1 13 13 LEU HD22 H 1 0.749 0.02 . 1 . . . . 13 LEU HD2 . 15476 1 164 . 1 1 13 13 LEU HD23 H 1 0.749 0.02 . 1 . . . . 13 LEU HD2 . 15476 1 165 . 1 1 13 13 LEU HG H 1 1.772 0.02 . 1 . . . . 13 LEU HG . 15476 1 166 . 1 1 13 13 LEU C C 13 178.491 0.2 . 1 . . . . 13 LEU C . 15476 1 167 . 1 1 13 13 LEU CA C 13 57.835 0.2 . 1 . . . . 13 LEU CA . 15476 1 168 . 1 1 13 13 LEU CB C 13 41.160 0.2 . 1 . . . . 13 LEU CB . 15476 1 169 . 1 1 13 13 LEU CD1 C 13 25.584 0.2 . 1 . . . . 13 LEU CD1 . 15476 1 170 . 1 1 13 13 LEU CD2 C 13 21.656 0.2 . 1 . . . . 13 LEU CD2 . 15476 1 171 . 1 1 13 13 LEU CG C 13 26.709 0.2 . 1 . . . . 13 LEU CG . 15476 1 172 . 1 1 13 13 LEU N N 15 119.467 0.2 . 1 . . . . 13 LEU N . 15476 1 173 . 1 1 14 14 ALA H H 1 8.326 0.02 . 1 . . . . 14 ALA H . 15476 1 174 . 1 1 14 14 ALA HA H 1 4.076 0.02 . 1 . . . . 14 ALA HA . 15476 1 175 . 1 1 14 14 ALA HB1 H 1 1.525 0.02 . 1 . . . . 14 ALA HB . 15476 1 176 . 1 1 14 14 ALA HB2 H 1 1.525 0.02 . 1 . . . . 14 ALA HB . 15476 1 177 . 1 1 14 14 ALA HB3 H 1 1.525 0.02 . 1 . . . . 14 ALA HB . 15476 1 178 . 1 1 14 14 ALA C C 13 180.903 0.2 . 1 . . . . 14 ALA C . 15476 1 179 . 1 1 14 14 ALA CA C 13 55.100 0.2 . 1 . . . . 14 ALA CA . 15476 1 180 . 1 1 14 14 ALA CB C 13 17.838 0.2 . 1 . . . . 14 ALA CB . 15476 1 181 . 1 1 14 14 ALA N N 15 122.290 0.2 . 1 . . . . 14 ALA N . 15476 1 182 . 1 1 15 15 ALA H H 1 7.794 0.02 . 1 . . . . 15 ALA H . 15476 1 183 . 1 1 15 15 ALA HA H 1 4.176 0.02 . 1 . . . . 15 ALA HA . 15476 1 184 . 1 1 15 15 ALA HB1 H 1 1.545 0.02 . 1 . . . . 15 ALA HB . 15476 1 185 . 1 1 15 15 ALA HB2 H 1 1.545 0.02 . 1 . . . . 15 ALA HB . 15476 1 186 . 1 1 15 15 ALA HB3 H 1 1.545 0.02 . 1 . . . . 15 ALA HB . 15476 1 187 . 1 1 15 15 ALA C C 13 181.255 0.2 . 1 . . . . 15 ALA C . 15476 1 188 . 1 1 15 15 ALA CA C 13 55.196 0.2 . 1 . . . . 15 ALA CA . 15476 1 189 . 1 1 15 15 ALA CB C 13 17.568 0.2 . 1 . . . . 15 ALA CB . 15476 1 190 . 1 1 15 15 ALA N N 15 121.829 0.2 . 1 . . . . 15 ALA N . 15476 1 191 . 1 1 16 16 LYS H H 1 7.977 0.02 . 1 . . . . 16 LYS H . 15476 1 192 . 1 1 16 16 LYS HA H 1 4.026 0.02 . 1 . . . . 16 LYS HA . 15476 1 193 . 1 1 16 16 LYS HB2 H 1 1.896 0.02 . 2 . . . . 16 LYS HB2 . 15476 1 194 . 1 1 16 16 LYS HB3 H 1 1.514 0.02 . 2 . . . . 16 LYS HB3 . 15476 1 195 . 1 1 16 16 LYS HD2 H 1 1.663 0.02 . 2 . . . . 16 LYS HD2 . 15476 1 196 . 1 1 16 16 LYS HD3 H 1 1.548 0.02 . 2 . . . . 16 LYS HD3 . 15476 1 197 . 1 1 16 16 LYS HE2 H 1 2.936 0.02 . 2 . . . . 16 LYS HE2 . 15476 1 198 . 1 1 16 16 LYS HE3 H 1 2.859 0.02 . 2 . . . . 16 LYS HE3 . 15476 1 199 . 1 1 16 16 LYS HG2 H 1 1.775 0.02 . 2 . . . . 16 LYS HG2 . 15476 1 200 . 1 1 16 16 LYS HG3 H 1 1.320 0.02 . 2 . . . . 16 LYS HG3 . 15476 1 201 . 1 1 16 16 LYS C C 13 179.086 0.2 . 1 . . . . 16 LYS C . 15476 1 202 . 1 1 16 16 LYS CA C 13 59.878 0.2 . 1 . . . . 16 LYS CA . 15476 1 203 . 1 1 16 16 LYS CB C 13 32.727 0.2 . 1 . . . . 16 LYS CB . 15476 1 204 . 1 1 16 16 LYS CD C 13 29.898 0.2 . 1 . . . . 16 LYS CD . 15476 1 205 . 1 1 16 16 LYS CE C 13 42.030 0.2 . 1 . . . . 16 LYS CE . 15476 1 206 . 1 1 16 16 LYS CG C 13 26.123 0.2 . 1 . . . . 16 LYS CG . 15476 1 207 . 1 1 16 16 LYS N N 15 120.084 0.2 . 1 . . . . 16 LYS N . 15476 1 208 . 1 1 17 17 ALA H H 1 8.527 0.02 . 1 . . . . 17 ALA H . 15476 1 209 . 1 1 17 17 ALA HA H 1 4.026 0.02 . 1 . . . . 17 ALA HA . 15476 1 210 . 1 1 17 17 ALA HB1 H 1 1.573 0.02 . 1 . . . . 17 ALA HB . 15476 1 211 . 1 1 17 17 ALA HB2 H 1 1.573 0.02 . 1 . . . . 17 ALA HB . 15476 1 212 . 1 1 17 17 ALA HB3 H 1 1.573 0.02 . 1 . . . . 17 ALA HB . 15476 1 213 . 1 1 17 17 ALA C C 13 181.147 0.2 . 1 . . . . 17 ALA C . 15476 1 214 . 1 1 17 17 ALA CA C 13 54.993 0.2 . 1 . . . . 17 ALA CA . 15476 1 215 . 1 1 17 17 ALA CB C 13 17.858 0.2 . 1 . . . . 17 ALA CB . 15476 1 216 . 1 1 17 17 ALA N N 15 123.164 0.2 . 1 . . . . 17 ALA N . 15476 1 217 . 1 1 18 18 LYS H H 1 8.125 0.02 . 1 . . . . 18 LYS H . 15476 1 218 . 1 1 18 18 LYS HA H 1 4.053 0.02 . 1 . . . . 18 LYS HA . 15476 1 219 . 1 1 18 18 LYS HB2 H 1 1.943 0.02 . 2 . . . . 18 LYS HB2 . 15476 1 220 . 1 1 18 18 LYS HB3 H 1 1.930 0.02 . 2 . . . . 18 LYS HB3 . 15476 1 221 . 1 1 18 18 LYS HD2 H 1 1.701 0.02 . 2 . . . . 18 LYS HD2 . 15476 1 222 . 1 1 18 18 LYS HD3 H 1 1.701 0.02 . 2 . . . . 18 LYS HD3 . 15476 1 223 . 1 1 18 18 LYS HE2 H 1 2.979 0.02 . 2 . . . . 18 LYS HE2 . 15476 1 224 . 1 1 18 18 LYS HE3 H 1 2.979 0.02 . 2 . . . . 18 LYS HE3 . 15476 1 225 . 1 1 18 18 LYS HG2 H 1 1.557 0.02 . 2 . . . . 18 LYS HG2 . 15476 1 226 . 1 1 18 18 LYS HG3 H 1 1.476 0.02 . 2 . . . . 18 LYS HG3 . 15476 1 227 . 1 1 18 18 LYS C C 13 177.994 0.2 . 1 . . . . 18 LYS C . 15476 1 228 . 1 1 18 18 LYS CA C 13 58.961 0.2 . 1 . . . . 18 LYS CA . 15476 1 229 . 1 1 18 18 LYS CB C 13 32.400 0.2 . 1 . . . . 18 LYS CB . 15476 1 230 . 1 1 18 18 LYS CD C 13 29.364 0.2 . 1 . . . . 18 LYS CD . 15476 1 231 . 1 1 18 18 LYS CE C 13 42.185 0.2 . 1 . . . . 18 LYS CE . 15476 1 232 . 1 1 18 18 LYS CG C 13 25.038 0.2 . 1 . . . . 18 LYS CG . 15476 1 233 . 1 1 18 18 LYS N N 15 120.927 0.2 . 1 . . . . 18 LYS N . 15476 1 234 . 1 1 19 19 ALA H H 1 7.659 0.02 . 1 . . . . 19 ALA H . 15476 1 235 . 1 1 19 19 ALA HA H 1 4.355 0.02 . 1 . . . . 19 ALA HA . 15476 1 236 . 1 1 19 19 ALA HB1 H 1 1.544 0.02 . 1 . . . . 19 ALA HB . 15476 1 237 . 1 1 19 19 ALA HB2 H 1 1.544 0.02 . 1 . . . . 19 ALA HB . 15476 1 238 . 1 1 19 19 ALA HB3 H 1 1.544 0.02 . 1 . . . . 19 ALA HB . 15476 1 239 . 1 1 19 19 ALA C C 13 177.769 0.2 . 1 . . . . 19 ALA C . 15476 1 240 . 1 1 19 19 ALA CA C 13 52.453 0.2 . 1 . . . . 19 ALA CA . 15476 1 241 . 1 1 19 19 ALA CB C 13 19.483 0.2 . 1 . . . . 19 ALA CB . 15476 1 242 . 1 1 19 19 ALA N N 15 118.300 0.2 . 1 . . . . 19 ALA N . 15476 1 243 . 1 1 20 20 GLY H H 1 7.758 0.02 . 1 . . . . 20 GLY H . 15476 1 244 . 1 1 20 20 GLY HA2 H 1 4.180 0.02 . 2 . . . . 20 GLY HA2 . 15476 1 245 . 1 1 20 20 GLY HA3 H 1 3.947 0.02 . 2 . . . . 20 GLY HA3 . 15476 1 246 . 1 1 20 20 GLY C C 13 175.031 0.2 . 1 . . . . 20 GLY C . 15476 1 247 . 1 1 20 20 GLY CA C 13 45.907 0.2 . 1 . . . . 20 GLY CA . 15476 1 248 . 1 1 20 20 GLY N N 15 105.949 0.2 . 1 . . . . 20 GLY N . 15476 1 249 . 1 1 21 21 VAL H H 1 7.678 0.02 . 1 . . . . 21 VAL H . 15476 1 250 . 1 1 21 21 VAL HA H 1 4.608 0.02 . 1 . . . . 21 VAL HA . 15476 1 251 . 1 1 21 21 VAL HB H 1 2.424 0.02 . 1 . . . . 21 VAL HB . 15476 1 252 . 1 1 21 21 VAL HG11 H 1 0.858 0.02 . 1 . . . . 21 VAL HG1 . 15476 1 253 . 1 1 21 21 VAL HG12 H 1 0.858 0.02 . 1 . . . . 21 VAL HG1 . 15476 1 254 . 1 1 21 21 VAL HG13 H 1 0.858 0.02 . 1 . . . . 21 VAL HG1 . 15476 1 255 . 1 1 21 21 VAL HG21 H 1 0.859 0.02 . 1 . . . . 21 VAL HG2 . 15476 1 256 . 1 1 21 21 VAL HG22 H 1 0.859 0.02 . 1 . . . . 21 VAL HG2 . 15476 1 257 . 1 1 21 21 VAL HG23 H 1 0.859 0.02 . 1 . . . . 21 VAL HG2 . 15476 1 258 . 1 1 21 21 VAL C C 13 175.837 0.2 . 1 . . . . 21 VAL C . 15476 1 259 . 1 1 21 21 VAL CA C 13 60.158 0.2 . 1 . . . . 21 VAL CA . 15476 1 260 . 1 1 21 21 VAL CB C 13 32.525 0.2 . 1 . . . . 21 VAL CB . 15476 1 261 . 1 1 21 21 VAL CG1 C 13 20.969 0.2 . 1 . . . . 21 VAL CG1 . 15476 1 262 . 1 1 21 21 VAL CG2 C 13 18.785 0.2 . 1 . . . . 21 VAL CG2 . 15476 1 263 . 1 1 21 21 VAL N N 15 109.739 0.2 . 1 . . . . 21 VAL N . 15476 1 264 . 1 1 22 22 ILE H H 1 6.842 0.02 . 1 . . . . 22 ILE H . 15476 1 265 . 1 1 22 22 ILE HA H 1 4.347 0.02 . 1 . . . . 22 ILE HA . 15476 1 266 . 1 1 22 22 ILE HB H 1 1.287 0.02 . 1 . . . . 22 ILE HB . 15476 1 267 . 1 1 22 22 ILE HD11 H 1 0.809 0.02 . 1 . . . . 22 ILE HD1 . 15476 1 268 . 1 1 22 22 ILE HD12 H 1 0.809 0.02 . 1 . . . . 22 ILE HD1 . 15476 1 269 . 1 1 22 22 ILE HD13 H 1 0.809 0.02 . 1 . . . . 22 ILE HD1 . 15476 1 270 . 1 1 22 22 ILE HG12 H 1 1.799 0.02 . 2 . . . . 22 ILE HG12 . 15476 1 271 . 1 1 22 22 ILE HG13 H 1 1.628 0.02 . 2 . . . . 22 ILE HG13 . 15476 1 272 . 1 1 22 22 ILE HG21 H 1 0.870 0.02 . 1 . . . . 22 ILE HG2 . 15476 1 273 . 1 1 22 22 ILE HG22 H 1 0.870 0.02 . 1 . . . . 22 ILE HG2 . 15476 1 274 . 1 1 22 22 ILE HG23 H 1 0.870 0.02 . 1 . . . . 22 ILE HG2 . 15476 1 275 . 1 1 22 22 ILE C C 13 174.145 0.2 . 1 . . . . 22 ILE C . 15476 1 276 . 1 1 22 22 ILE CA C 13 61.285 0.2 . 1 . . . . 22 ILE CA . 15476 1 277 . 1 1 22 22 ILE CB C 13 40.142 0.2 . 1 . . . . 22 ILE CB . 15476 1 278 . 1 1 22 22 ILE CD1 C 13 13.758 0.2 . 1 . . . . 22 ILE CD1 . 15476 1 279 . 1 1 22 22 ILE CG1 C 13 30.502 0.2 . 1 . . . . 22 ILE CG1 . 15476 1 280 . 1 1 22 22 ILE CG2 C 13 15.723 0.2 . 1 . . . . 22 ILE CG2 . 15476 1 281 . 1 1 22 22 ILE N N 15 124.020 0.2 . 1 . . . . 22 ILE N . 15476 1 282 . 1 1 23 23 THR H H 1 9.104 0.02 . 1 . . . . 23 THR H . 15476 1 283 . 1 1 23 23 THR HA H 1 4.597 0.02 . 1 . . . . 23 THR HA . 15476 1 284 . 1 1 23 23 THR HB H 1 4.798 0.02 . 1 . . . . 23 THR HB . 15476 1 285 . 1 1 23 23 THR HG21 H 1 1.323 0.02 . 1 . . . . 23 THR HG2 . 15476 1 286 . 1 1 23 23 THR HG22 H 1 1.323 0.02 . 1 . . . . 23 THR HG2 . 15476 1 287 . 1 1 23 23 THR HG23 H 1 1.323 0.02 . 1 . . . . 23 THR HG2 . 15476 1 288 . 1 1 23 23 THR C C 13 175.820 0.2 . 1 . . . . 23 THR C . 15476 1 289 . 1 1 23 23 THR CA C 13 61.139 0.2 . 1 . . . . 23 THR CA . 15476 1 290 . 1 1 23 23 THR CB C 13 71.396 0.2 . 1 . . . . 23 THR CB . 15476 1 291 . 1 1 23 23 THR CG2 C 13 21.650 0.2 . 1 . . . . 23 THR CG2 . 15476 1 292 . 1 1 23 23 THR N N 15 120.184 0.2 . 1 . . . . 23 THR N . 15476 1 293 . 1 1 24 24 GLU H H 1 9.011 0.02 . 1 . . . . 24 GLU H . 15476 1 294 . 1 1 24 24 GLU HA H 1 3.965 0.02 . 1 . . . . 24 GLU HA . 15476 1 295 . 1 1 24 24 GLU HB2 H 1 2.100 0.02 . 2 . . . . 24 GLU HB2 . 15476 1 296 . 1 1 24 24 GLU HB3 H 1 2.069 0.02 . 2 . . . . 24 GLU HB3 . 15476 1 297 . 1 1 24 24 GLU HG2 H 1 2.421 0.02 . 2 . . . . 24 GLU HG2 . 15476 1 298 . 1 1 24 24 GLU HG3 H 1 2.402 0.02 . 2 . . . . 24 GLU HG3 . 15476 1 299 . 1 1 24 24 GLU C C 13 180.012 0.2 . 1 . . . . 24 GLU C . 15476 1 300 . 1 1 24 24 GLU CA C 13 60.049 0.2 . 1 . . . . 24 GLU CA . 15476 1 301 . 1 1 24 24 GLU CB C 13 29.095 0.2 . 1 . . . . 24 GLU CB . 15476 1 302 . 1 1 24 24 GLU CG C 13 36.489 0.2 . 1 . . . . 24 GLU CG . 15476 1 303 . 1 1 24 24 GLU N N 15 120.289 0.2 . 1 . . . . 24 GLU N . 15476 1 304 . 1 1 25 25 GLU H H 1 8.917 0.02 . 1 . . . . 25 GLU H . 15476 1 305 . 1 1 25 25 GLU HA H 1 4.116 0.02 . 1 . . . . 25 GLU HA . 15476 1 306 . 1 1 25 25 GLU HB2 H 1 2.040 0.02 . 2 . . . . 25 GLU HB2 . 15476 1 307 . 1 1 25 25 GLU HB3 H 1 1.973 0.02 . 2 . . . . 25 GLU HB3 . 15476 1 308 . 1 1 25 25 GLU HG2 H 1 2.414 0.02 . 2 . . . . 25 GLU HG2 . 15476 1 309 . 1 1 25 25 GLU HG3 H 1 2.318 0.02 . 2 . . . . 25 GLU HG3 . 15476 1 310 . 1 1 25 25 GLU C C 13 180.164 0.2 . 1 . . . . 25 GLU C . 15476 1 311 . 1 1 25 25 GLU CA C 13 60.042 0.2 . 1 . . . . 25 GLU CA . 15476 1 312 . 1 1 25 25 GLU CB C 13 29.131 0.2 . 1 . . . . 25 GLU CB . 15476 1 313 . 1 1 25 25 GLU CG C 13 36.837 0.2 . 1 . . . . 25 GLU CG . 15476 1 314 . 1 1 25 25 GLU N N 15 120.676 0.2 . 1 . . . . 25 GLU N . 15476 1 315 . 1 1 26 26 GLU H H 1 7.837 0.02 . 1 . . . . 26 GLU H . 15476 1 316 . 1 1 26 26 GLU HA H 1 4.074 0.02 . 1 . . . . 26 GLU HA . 15476 1 317 . 1 1 26 26 GLU HB2 H 1 2.460 0.02 . 2 . . . . 26 GLU HB2 . 15476 1 318 . 1 1 26 26 GLU HB3 H 1 1.745 0.02 . 2 . . . . 26 GLU HB3 . 15476 1 319 . 1 1 26 26 GLU HG2 H 1 2.354 0.02 . 2 . . . . 26 GLU HG2 . 15476 1 320 . 1 1 26 26 GLU HG3 H 1 2.073 0.02 . 2 . . . . 26 GLU HG3 . 15476 1 321 . 1 1 26 26 GLU C C 13 179.093 0.2 . 1 . . . . 26 GLU C . 15476 1 322 . 1 1 26 26 GLU CA C 13 58.684 0.2 . 1 . . . . 26 GLU CA . 15476 1 323 . 1 1 26 26 GLU CB C 13 30.606 0.2 . 1 . . . . 26 GLU CB . 15476 1 324 . 1 1 26 26 GLU CG C 13 37.538 0.2 . 1 . . . . 26 GLU CG . 15476 1 325 . 1 1 26 26 GLU N N 15 121.997 0.2 . 1 . . . . 26 GLU N . 15476 1 326 . 1 1 27 27 LYS H H 1 8.659 0.02 . 1 . . . . 27 LYS H . 15476 1 327 . 1 1 27 27 LYS HA H 1 3.964 0.02 . 1 . . . . 27 LYS HA . 15476 1 328 . 1 1 27 27 LYS HB2 H 1 1.951 0.02 . 2 . . . . 27 LYS HB2 . 15476 1 329 . 1 1 27 27 LYS HB3 H 1 1.903 0.02 . 2 . . . . 27 LYS HB3 . 15476 1 330 . 1 1 27 27 LYS HD2 H 1 1.664 0.02 . 2 . . . . 27 LYS HD2 . 15476 1 331 . 1 1 27 27 LYS HD3 H 1 1.664 0.02 . 2 . . . . 27 LYS HD3 . 15476 1 332 . 1 1 27 27 LYS HE2 H 1 2.876 0.02 . 2 . . . . 27 LYS HE2 . 15476 1 333 . 1 1 27 27 LYS HE3 H 1 2.800 0.02 . 2 . . . . 27 LYS HE3 . 15476 1 334 . 1 1 27 27 LYS HG2 H 1 1.664 0.02 . 2 . . . . 27 LYS HG2 . 15476 1 335 . 1 1 27 27 LYS HG3 H 1 1.397 0.02 . 2 . . . . 27 LYS HG3 . 15476 1 336 . 1 1 27 27 LYS C C 13 179.776 0.2 . 1 . . . . 27 LYS C . 15476 1 337 . 1 1 27 27 LYS CA C 13 60.129 0.2 . 1 . . . . 27 LYS CA . 15476 1 338 . 1 1 27 27 LYS CB C 13 32.537 0.2 . 1 . . . . 27 LYS CB . 15476 1 339 . 1 1 27 27 LYS CD C 13 29.901 0.2 . 1 . . . . 27 LYS CD . 15476 1 340 . 1 1 27 27 LYS CE C 13 42.002 0.2 . 1 . . . . 27 LYS CE . 15476 1 341 . 1 1 27 27 LYS CG C 13 26.074 0.2 . 1 . . . . 27 LYS CG . 15476 1 342 . 1 1 27 27 LYS N N 15 121.367 0.2 . 1 . . . . 27 LYS N . 15476 1 343 . 1 1 28 28 ALA H H 1 7.648 0.02 . 1 . . . . 28 ALA H . 15476 1 344 . 1 1 28 28 ALA HA H 1 4.216 0.02 . 1 . . . . 28 ALA HA . 15476 1 345 . 1 1 28 28 ALA HB1 H 1 1.534 0.02 . 1 . . . . 28 ALA HB . 15476 1 346 . 1 1 28 28 ALA HB2 H 1 1.534 0.02 . 1 . . . . 28 ALA HB . 15476 1 347 . 1 1 28 28 ALA HB3 H 1 1.534 0.02 . 1 . . . . 28 ALA HB . 15476 1 348 . 1 1 28 28 ALA C C 13 180.525 0.2 . 1 . . . . 28 ALA C . 15476 1 349 . 1 1 28 28 ALA CA C 13 55.014 0.2 . 1 . . . . 28 ALA CA . 15476 1 350 . 1 1 28 28 ALA CB C 13 17.610 0.2 . 1 . . . . 28 ALA CB . 15476 1 351 . 1 1 28 28 ALA N N 15 122.685 0.2 . 1 . . . . 28 ALA N . 15476 1 352 . 1 1 29 29 GLU H H 1 7.915 0.02 . 1 . . . . 29 GLU H . 15476 1 353 . 1 1 29 29 GLU HA H 1 3.971 0.02 . 1 . . . . 29 GLU HA . 15476 1 354 . 1 1 29 29 GLU HB2 H 1 2.258 0.02 . 2 . . . . 29 GLU HB2 . 15476 1 355 . 1 1 29 29 GLU HB3 H 1 2.047 0.02 . 2 . . . . 29 GLU HB3 . 15476 1 356 . 1 1 29 29 GLU HG2 H 1 2.385 0.02 . 2 . . . . 29 GLU HG2 . 15476 1 357 . 1 1 29 29 GLU HG3 H 1 2.041 0.02 . 2 . . . . 29 GLU HG3 . 15476 1 358 . 1 1 29 29 GLU C C 13 178.193 0.2 . 1 . . . . 29 GLU C . 15476 1 359 . 1 1 29 29 GLU CA C 13 59.269 0.2 . 1 . . . . 29 GLU CA . 15476 1 360 . 1 1 29 29 GLU CB C 13 29.467 0.2 . 1 . . . . 29 GLU CB . 15476 1 361 . 1 1 29 29 GLU CG C 13 35.082 0.2 . 1 . . . . 29 GLU CG . 15476 1 362 . 1 1 29 29 GLU N N 15 122.691 0.2 . 1 . . . . 29 GLU N . 15476 1 363 . 1 1 30 30 GLN H H 1 8.891 0.02 . 1 . . . . 30 GLN H . 15476 1 364 . 1 1 30 30 GLN HA H 1 3.805 0.02 . 1 . . . . 30 GLN HA . 15476 1 365 . 1 1 30 30 GLN HB2 H 1 2.398 0.02 . 2 . . . . 30 GLN HB2 . 15476 1 366 . 1 1 30 30 GLN HB3 H 1 2.092 0.02 . 2 . . . . 30 GLN HB3 . 15476 1 367 . 1 1 30 30 GLN HE21 H 1 7.659 0.02 . 1 . . . . 30 GLN HE21 . 15476 1 368 . 1 1 30 30 GLN HE22 H 1 6.157 0.02 . 1 . . . . 30 GLN HE22 . 15476 1 369 . 1 1 30 30 GLN HG2 H 1 2.358 0.02 . 2 . . . . 30 GLN HG2 . 15476 1 370 . 1 1 30 30 GLN HG3 H 1 2.185 0.02 . 2 . . . . 30 GLN HG3 . 15476 1 371 . 1 1 30 30 GLN C C 13 177.828 0.2 . 1 . . . . 30 GLN C . 15476 1 372 . 1 1 30 30 GLN CA C 13 59.703 0.2 . 1 . . . . 30 GLN CA . 15476 1 373 . 1 1 30 30 GLN CB C 13 29.404 0.2 . 1 . . . . 30 GLN CB . 15476 1 374 . 1 1 30 30 GLN CD C 13 178.653 0.2 . 1 . . . . 30 GLN CD . 15476 1 375 . 1 1 30 30 GLN CG C 13 33.681 0.2 . 1 . . . . 30 GLN CG . 15476 1 376 . 1 1 30 30 GLN N N 15 119.325 0.2 . 1 . . . . 30 GLN N . 15476 1 377 . 1 1 30 30 GLN NE2 N 15 108.422 0.2 . 1 . . . . 30 GLN NE2 . 15476 1 378 . 1 1 31 31 GLN H H 1 7.874 0.02 . 1 . . . . 31 GLN H . 15476 1 379 . 1 1 31 31 GLN HA H 1 4.085 0.02 . 1 . . . . 31 GLN HA . 15476 1 380 . 1 1 31 31 GLN HB2 H 1 2.216 0.02 . 2 . . . . 31 GLN HB2 . 15476 1 381 . 1 1 31 31 GLN HB3 H 1 2.192 0.02 . 2 . . . . 31 GLN HB3 . 15476 1 382 . 1 1 31 31 GLN HE21 H 1 7.489 0.02 . 1 . . . . 31 GLN HE21 . 15476 1 383 . 1 1 31 31 GLN HE22 H 1 6.891 0.02 . 1 . . . . 31 GLN HE22 . 15476 1 384 . 1 1 31 31 GLN HG2 H 1 2.511 0.02 . 2 . . . . 31 GLN HG2 . 15476 1 385 . 1 1 31 31 GLN HG3 H 1 2.484 0.02 . 2 . . . . 31 GLN HG3 . 15476 1 386 . 1 1 31 31 GLN C C 13 178.371 0.2 . 1 . . . . 31 GLN C . 15476 1 387 . 1 1 31 31 GLN CA C 13 58.842 0.2 . 1 . . . . 31 GLN CA . 15476 1 388 . 1 1 31 31 GLN CB C 13 28.283 0.2 . 1 . . . . 31 GLN CB . 15476 1 389 . 1 1 31 31 GLN CD C 13 180.088 0.2 . 1 . . . . 31 GLN CD . 15476 1 390 . 1 1 31 31 GLN CG C 13 33.406 0.2 . 1 . . . . 31 GLN CG . 15476 1 391 . 1 1 31 31 GLN N N 15 118.010 0.2 . 1 . . . . 31 GLN N . 15476 1 392 . 1 1 31 31 GLN NE2 N 15 111.900 0.2 . 1 . . . . 31 GLN NE2 . 15476 1 393 . 1 1 32 32 LYS H H 1 7.739 0.02 . 1 . . . . 32 LYS H . 15476 1 394 . 1 1 32 32 LYS HA H 1 4.096 0.02 . 1 . . . . 32 LYS HA . 15476 1 395 . 1 1 32 32 LYS HB2 H 1 2.028 0.02 . 2 . . . . 32 LYS HB2 . 15476 1 396 . 1 1 32 32 LYS HB3 H 1 1.997 0.02 . 2 . . . . 32 LYS HB3 . 15476 1 397 . 1 1 32 32 LYS HD2 H 1 1.694 0.02 . 2 . . . . 32 LYS HD2 . 15476 1 398 . 1 1 32 32 LYS HD3 H 1 1.694 0.02 . 2 . . . . 32 LYS HD3 . 15476 1 399 . 1 1 32 32 LYS HE2 H 1 2.979 0.02 . 2 . . . . 32 LYS HE2 . 15476 1 400 . 1 1 32 32 LYS HE3 H 1 2.979 0.02 . 2 . . . . 32 LYS HE3 . 15476 1 401 . 1 1 32 32 LYS HG2 H 1 1.608 0.02 . 2 . . . . 32 LYS HG2 . 15476 1 402 . 1 1 32 32 LYS HG3 H 1 1.440 0.02 . 2 . . . . 32 LYS HG3 . 15476 1 403 . 1 1 32 32 LYS C C 13 179.952 0.2 . 1 . . . . 32 LYS C . 15476 1 404 . 1 1 32 32 LYS CA C 13 59.708 0.2 . 1 . . . . 32 LYS CA . 15476 1 405 . 1 1 32 32 LYS CB C 13 32.403 0.2 . 1 . . . . 32 LYS CB . 15476 1 406 . 1 1 32 32 LYS CD C 13 29.333 0.2 . 1 . . . . 32 LYS CD . 15476 1 407 . 1 1 32 32 LYS CE C 13 42.185 0.2 . 1 . . . . 32 LYS CE . 15476 1 408 . 1 1 32 32 LYS CG C 13 25.051 0.2 . 1 . . . . 32 LYS CG . 15476 1 409 . 1 1 32 32 LYS N N 15 120.842 0.2 . 1 . . . . 32 LYS N . 15476 1 410 . 1 1 33 33 LEU H H 1 8.617 0.02 . 1 . . . . 33 LEU H . 15476 1 411 . 1 1 33 33 LEU HA H 1 4.153 0.02 . 1 . . . . 33 LEU HA . 15476 1 412 . 1 1 33 33 LEU HB2 H 1 1.918 0.02 . 2 . . . . 33 LEU HB2 . 15476 1 413 . 1 1 33 33 LEU HB3 H 1 1.353 0.02 . 2 . . . . 33 LEU HB3 . 15476 1 414 . 1 1 33 33 LEU HD11 H 1 0.922 0.02 . 1 . . . . 33 LEU HD1 . 15476 1 415 . 1 1 33 33 LEU HD12 H 1 0.922 0.02 . 1 . . . . 33 LEU HD1 . 15476 1 416 . 1 1 33 33 LEU HD13 H 1 0.922 0.02 . 1 . . . . 33 LEU HD1 . 15476 1 417 . 1 1 33 33 LEU HD21 H 1 0.964 0.02 . 1 . . . . 33 LEU HD2 . 15476 1 418 . 1 1 33 33 LEU HD22 H 1 0.964 0.02 . 1 . . . . 33 LEU HD2 . 15476 1 419 . 1 1 33 33 LEU HD23 H 1 0.964 0.02 . 1 . . . . 33 LEU HD2 . 15476 1 420 . 1 1 33 33 LEU HG H 1 1.904 0.02 . 1 . . . . 33 LEU HG . 15476 1 421 . 1 1 33 33 LEU C C 13 179.446 0.2 . 1 . . . . 33 LEU C . 15476 1 422 . 1 1 33 33 LEU CA C 13 57.774 0.2 . 1 . . . . 33 LEU CA . 15476 1 423 . 1 1 33 33 LEU CB C 13 42.585 0.2 . 1 . . . . 33 LEU CB . 15476 1 424 . 1 1 33 33 LEU CD1 C 13 26.394 0.2 . 1 . . . . 33 LEU CD1 . 15476 1 425 . 1 1 33 33 LEU CD2 C 13 22.690 0.2 . 1 . . . . 33 LEU CD2 . 15476 1 426 . 1 1 33 33 LEU CG C 13 27.026 0.2 . 1 . . . . 33 LEU CG . 15476 1 427 . 1 1 33 33 LEU N N 15 120.088 0.2 . 1 . . . . 33 LEU N . 15476 1 428 . 1 1 34 34 ARG H H 1 8.413 0.02 . 1 . . . . 34 ARG H . 15476 1 429 . 1 1 34 34 ARG HA H 1 4.009 0.02 . 1 . . . . 34 ARG HA . 15476 1 430 . 1 1 34 34 ARG HB2 H 1 1.961 0.02 . 2 . . . . 34 ARG HB2 . 15476 1 431 . 1 1 34 34 ARG HB3 H 1 1.939 0.02 . 2 . . . . 34 ARG HB3 . 15476 1 432 . 1 1 34 34 ARG HD2 H 1 3.202 0.02 . 2 . . . . 34 ARG HD2 . 15476 1 433 . 1 1 34 34 ARG HD3 H 1 3.147 0.02 . 2 . . . . 34 ARG HD3 . 15476 1 434 . 1 1 34 34 ARG HG2 H 1 1.826 0.02 . 2 . . . . 34 ARG HG2 . 15476 1 435 . 1 1 34 34 ARG HG3 H 1 1.607 0.02 . 2 . . . . 34 ARG HG3 . 15476 1 436 . 1 1 34 34 ARG C C 13 178.614 0.2 . 1 . . . . 34 ARG C . 15476 1 437 . 1 1 34 34 ARG CA C 13 59.839 0.2 . 1 . . . . 34 ARG CA . 15476 1 438 . 1 1 34 34 ARG CB C 13 29.772 0.2 . 1 . . . . 34 ARG CB . 15476 1 439 . 1 1 34 34 ARG CD C 13 43.454 0.2 . 1 . . . . 34 ARG CD . 15476 1 440 . 1 1 34 34 ARG CG C 13 27.894 0.2 . 1 . . . . 34 ARG CG . 15476 1 441 . 1 1 34 34 ARG N N 15 119.206 0.2 . 1 . . . . 34 ARG N . 15476 1 442 . 1 1 35 35 GLN H H 1 7.850 0.02 . 1 . . . . 35 GLN H . 15476 1 443 . 1 1 35 35 GLN HA H 1 4.085 0.02 . 1 . . . . 35 GLN HA . 15476 1 444 . 1 1 35 35 GLN HB2 H 1 2.279 0.02 . 2 . . . . 35 GLN HB2 . 15476 1 445 . 1 1 35 35 GLN HB3 H 1 2.190 0.02 . 2 . . . . 35 GLN HB3 . 15476 1 446 . 1 1 35 35 GLN HE21 H 1 7.492 0.02 . 1 . . . . 35 GLN HE21 . 15476 1 447 . 1 1 35 35 GLN HE22 H 1 6.897 0.02 . 1 . . . . 35 GLN HE22 . 15476 1 448 . 1 1 35 35 GLN HG2 H 1 2.574 0.02 . 2 . . . . 35 GLN HG2 . 15476 1 449 . 1 1 35 35 GLN HG3 H 1 2.488 0.02 . 2 . . . . 35 GLN HG3 . 15476 1 450 . 1 1 35 35 GLN C C 13 178.621 0.2 . 1 . . . . 35 GLN C . 15476 1 451 . 1 1 35 35 GLN CA C 13 58.771 0.2 . 1 . . . . 35 GLN CA . 15476 1 452 . 1 1 35 35 GLN CB C 13 28.331 0.2 . 1 . . . . 35 GLN CB . 15476 1 453 . 1 1 35 35 GLN CD C 13 180.198 0.2 . 1 . . . . 35 GLN CD . 15476 1 454 . 1 1 35 35 GLN CG C 13 34.090 0.2 . 1 . . . . 35 GLN CG . 15476 1 455 . 1 1 35 35 GLN N N 15 117.434 0.2 . 1 . . . . 35 GLN N . 15476 1 456 . 1 1 35 35 GLN NE2 N 15 111.993 0.2 . 1 . . . . 35 GLN NE2 . 15476 1 457 . 1 1 36 36 GLU H H 1 7.939 0.02 . 1 . . . . 36 GLU H . 15476 1 458 . 1 1 36 36 GLU HA H 1 4.015 0.02 . 1 . . . . 36 GLU HA . 15476 1 459 . 1 1 36 36 GLU HB2 H 1 2.172 0.02 . 2 . . . . 36 GLU HB2 . 15476 1 460 . 1 1 36 36 GLU HB3 H 1 2.100 0.02 . 2 . . . . 36 GLU HB3 . 15476 1 461 . 1 1 36 36 GLU HG2 H 1 2.449 0.02 . 2 . . . . 36 GLU HG2 . 15476 1 462 . 1 1 36 36 GLU HG3 H 1 2.186 0.02 . 2 . . . . 36 GLU HG3 . 15476 1 463 . 1 1 36 36 GLU C C 13 178.975 0.2 . 1 . . . . 36 GLU C . 15476 1 464 . 1 1 36 36 GLU CA C 13 59.271 0.2 . 1 . . . . 36 GLU CA . 15476 1 465 . 1 1 36 36 GLU CB C 13 29.750 0.2 . 1 . . . . 36 GLU CB . 15476 1 466 . 1 1 36 36 GLU CG C 13 36.473 0.2 . 1 . . . . 36 GLU CG . 15476 1 467 . 1 1 36 36 GLU N N 15 119.554 0.2 . 1 . . . . 36 GLU N . 15476 1 468 . 1 1 37 37 TYR H H 1 8.578 0.02 . 1 . . . . 37 TYR H . 15476 1 469 . 1 1 37 37 TYR HA H 1 4.164 0.02 . 1 . . . . 37 TYR HA . 15476 1 470 . 1 1 37 37 TYR HB2 H 1 3.252 0.02 . 2 . . . . 37 TYR HB2 . 15476 1 471 . 1 1 37 37 TYR HB3 H 1 3.027 0.02 . 2 . . . . 37 TYR HB3 . 15476 1 472 . 1 1 37 37 TYR HD1 H 1 7.026 0.02 . 3 . . . . 37 TYR HD1 . 15476 1 473 . 1 1 37 37 TYR HD2 H 1 7.026 0.02 . 3 . . . . 37 TYR HD2 . 15476 1 474 . 1 1 37 37 TYR HE1 H 1 6.763 0.02 . 3 . . . . 37 TYR HE1 . 15476 1 475 . 1 1 37 37 TYR HE2 H 1 6.763 0.02 . 3 . . . . 37 TYR HE2 . 15476 1 476 . 1 1 37 37 TYR C C 13 177.550 0.2 . 1 . . . . 37 TYR C . 15476 1 477 . 1 1 37 37 TYR CA C 13 60.590 0.2 . 1 . . . . 37 TYR CA . 15476 1 478 . 1 1 37 37 TYR CB C 13 38.709 0.2 . 1 . . . . 37 TYR CB . 15476 1 479 . 1 1 37 37 TYR CD1 C 13 132.917 0.2 . 3 . . . . 37 TYR CD1 . 15476 1 480 . 1 1 37 37 TYR CD2 C 13 132.917 0.2 . 3 . . . . 37 TYR CD2 . 15476 1 481 . 1 1 37 37 TYR CE1 C 13 118.294 0.2 . 3 . . . . 37 TYR CE1 . 15476 1 482 . 1 1 37 37 TYR CE2 C 13 118.294 0.2 . 3 . . . . 37 TYR CE2 . 15476 1 483 . 1 1 37 37 TYR N N 15 120.782 0.2 . 1 . . . . 37 TYR N . 15476 1 484 . 1 1 38 38 LEU H H 1 8.229 0.02 . 1 . . . . 38 LEU H . 15476 1 485 . 1 1 38 38 LEU HA H 1 4.072 0.02 . 1 . . . . 38 LEU HA . 15476 1 486 . 1 1 38 38 LEU HB2 H 1 1.868 0.02 . 2 . . . . 38 LEU HB2 . 15476 1 487 . 1 1 38 38 LEU HB3 H 1 1.585 0.02 . 2 . . . . 38 LEU HB3 . 15476 1 488 . 1 1 38 38 LEU HD11 H 1 0.922 0.02 . 1 . . . . 38 LEU HD1 . 15476 1 489 . 1 1 38 38 LEU HD12 H 1 0.922 0.02 . 1 . . . . 38 LEU HD1 . 15476 1 490 . 1 1 38 38 LEU HD13 H 1 0.922 0.02 . 1 . . . . 38 LEU HD1 . 15476 1 491 . 1 1 38 38 LEU HD21 H 1 0.888 0.02 . 1 . . . . 38 LEU HD2 . 15476 1 492 . 1 1 38 38 LEU HD22 H 1 0.888 0.02 . 1 . . . . 38 LEU HD2 . 15476 1 493 . 1 1 38 38 LEU HD23 H 1 0.888 0.02 . 1 . . . . 38 LEU HD2 . 15476 1 494 . 1 1 38 38 LEU HG H 1 1.868 0.02 . 1 . . . . 38 LEU HG . 15476 1 495 . 1 1 38 38 LEU C C 13 178.983 0.2 . 1 . . . . 38 LEU C . 15476 1 496 . 1 1 38 38 LEU CA C 13 57.053 0.2 . 1 . . . . 38 LEU CA . 15476 1 497 . 1 1 38 38 LEU CB C 13 42.020 0.2 . 1 . . . . 38 LEU CB . 15476 1 498 . 1 1 38 38 LEU CD1 C 13 25.277 0.2 . 1 . . . . 38 LEU CD1 . 15476 1 499 . 1 1 38 38 LEU CD2 C 13 22.928 0.2 . 1 . . . . 38 LEU CD2 . 15476 1 500 . 1 1 38 38 LEU CG C 13 27.095 0.2 . 1 . . . . 38 LEU CG . 15476 1 501 . 1 1 38 38 LEU N N 15 119.275 0.2 . 1 . . . . 38 LEU N . 15476 1 502 . 1 1 39 39 LYS H H 1 7.790 0.02 . 1 . . . . 39 LYS H . 15476 1 503 . 1 1 39 39 LYS HA H 1 4.152 0.02 . 1 . . . . 39 LYS HA . 15476 1 504 . 1 1 39 39 LYS HB2 H 1 1.886 0.02 . 2 . . . . 39 LYS HB2 . 15476 1 505 . 1 1 39 39 LYS HB3 H 1 1.886 0.02 . 2 . . . . 39 LYS HB3 . 15476 1 506 . 1 1 39 39 LYS HD2 H 1 1.689 0.02 . 2 . . . . 39 LYS HD2 . 15476 1 507 . 1 1 39 39 LYS HD3 H 1 1.689 0.02 . 2 . . . . 39 LYS HD3 . 15476 1 508 . 1 1 39 39 LYS HE2 H 1 2.975 0.02 . 2 . . . . 39 LYS HE2 . 15476 1 509 . 1 1 39 39 LYS HE3 H 1 2.984 0.02 . 2 . . . . 39 LYS HE3 . 15476 1 510 . 1 1 39 39 LYS HG2 H 1 1.574 0.02 . 2 . . . . 39 LYS HG2 . 15476 1 511 . 1 1 39 39 LYS HG3 H 1 1.454 0.02 . 2 . . . . 39 LYS HG3 . 15476 1 512 . 1 1 39 39 LYS C C 13 178.123 0.2 . 1 . . . . 39 LYS C . 15476 1 513 . 1 1 39 39 LYS CA C 13 58.197 0.2 . 1 . . . . 39 LYS CA . 15476 1 514 . 1 1 39 39 LYS CB C 13 32.466 0.2 . 1 . . . . 39 LYS CB . 15476 1 515 . 1 1 39 39 LYS CD C 13 29.213 0.2 . 1 . . . . 39 LYS CD . 15476 1 516 . 1 1 39 39 LYS CE C 13 42.174 0.2 . 1 . . . . 39 LYS CE . 15476 1 517 . 1 1 39 39 LYS CG C 13 25.057 0.2 . 1 . . . . 39 LYS CG . 15476 1 518 . 1 1 39 39 LYS N N 15 118.917 0.2 . 1 . . . . 39 LYS N . 15476 1 519 . 1 1 40 40 GLY H H 1 7.885 0.02 . 1 . . . . 40 GLY H . 15476 1 520 . 1 1 40 40 GLY HA2 H 1 3.970 0.02 . 2 . . . . 40 GLY HA2 . 15476 1 521 . 1 1 40 40 GLY HA3 H 1 3.768 0.02 . 2 . . . . 40 GLY HA3 . 15476 1 522 . 1 1 40 40 GLY C C 13 174.349 0.2 . 1 . . . . 40 GLY C . 15476 1 523 . 1 1 40 40 GLY CA C 13 45.758 0.2 . 1 . . . . 40 GLY CA . 15476 1 524 . 1 1 40 40 GLY N N 15 106.796 0.2 . 1 . . . . 40 GLY N . 15476 1 525 . 1 1 41 41 PHE H H 1 7.859 0.02 . 1 . . . . 41 PHE H . 15476 1 526 . 1 1 41 41 PHE HA H 1 4.455 0.02 . 1 . . . . 41 PHE HA . 15476 1 527 . 1 1 41 41 PHE HB2 H 1 3.047 0.02 . 2 . . . . 41 PHE HB2 . 15476 1 528 . 1 1 41 41 PHE HB3 H 1 2.891 0.02 . 2 . . . . 41 PHE HB3 . 15476 1 529 . 1 1 41 41 PHE HD1 H 1 7.169 0.02 . 3 . . . . 41 PHE HD1 . 15476 1 530 . 1 1 41 41 PHE HD2 H 1 7.169 0.02 . 3 . . . . 41 PHE HD2 . 15476 1 531 . 1 1 41 41 PHE HE1 H 1 7.186 0.02 . 3 . . . . 41 PHE HE1 . 15476 1 532 . 1 1 41 41 PHE HE2 H 1 7.186 0.02 . 3 . . . . 41 PHE HE2 . 15476 1 533 . 1 1 41 41 PHE HZ H 1 7.238 0.02 . 1 . . . . 41 PHE HZ . 15476 1 534 . 1 1 41 41 PHE C C 13 176.028 0.2 . 1 . . . . 41 PHE C . 15476 1 535 . 1 1 41 41 PHE CA C 13 58.735 0.2 . 1 . . . . 41 PHE CA . 15476 1 536 . 1 1 41 41 PHE CB C 13 39.408 0.2 . 1 . . . . 41 PHE CB . 15476 1 537 . 1 1 41 41 PHE CD1 C 13 131.872 0.2 . 3 . . . . 41 PHE CD1 . 15476 1 538 . 1 1 41 41 PHE CD2 C 13 131.872 0.2 . 3 . . . . 41 PHE CD2 . 15476 1 539 . 1 1 41 41 PHE CE1 C 13 131.422 0.2 . 3 . . . . 41 PHE CE1 . 15476 1 540 . 1 1 41 41 PHE CE2 C 13 131.422 0.2 . 3 . . . . 41 PHE CE2 . 15476 1 541 . 1 1 41 41 PHE CZ C 13 129.740 0.2 . 1 . . . . 41 PHE CZ . 15476 1 542 . 1 1 41 41 PHE N N 15 120.317 0.2 . 1 . . . . 41 PHE N . 15476 1 543 . 1 1 42 42 ARG H H 1 8.044 0.02 . 1 . . . . 42 ARG H . 15476 1 544 . 1 1 42 42 ARG HA H 1 4.269 0.02 . 1 . . . . 42 ARG HA . 15476 1 545 . 1 1 42 42 ARG HB2 H 1 1.850 0.02 . 2 . . . . 42 ARG HB2 . 15476 1 546 . 1 1 42 42 ARG HB3 H 1 1.763 0.02 . 2 . . . . 42 ARG HB3 . 15476 1 547 . 1 1 42 42 ARG HD2 H 1 3.171 0.02 . 2 . . . . 42 ARG HD2 . 15476 1 548 . 1 1 42 42 ARG HD3 H 1 3.171 0.02 . 2 . . . . 42 ARG HD3 . 15476 1 549 . 1 1 42 42 ARG HG2 H 1 1.618 0.02 . 2 . . . . 42 ARG HG2 . 15476 1 550 . 1 1 42 42 ARG HG3 H 1 1.589 0.02 . 2 . . . . 42 ARG HG3 . 15476 1 551 . 1 1 42 42 ARG C C 13 176.487 0.2 . 1 . . . . 42 ARG C . 15476 1 552 . 1 1 42 42 ARG CA C 13 56.505 0.2 . 1 . . . . 42 ARG CA . 15476 1 553 . 1 1 42 42 ARG CB C 13 30.801 0.2 . 1 . . . . 42 ARG CB . 15476 1 554 . 1 1 42 42 ARG CD C 13 43.437 0.2 . 1 . . . . 42 ARG CD . 15476 1 555 . 1 1 42 42 ARG CG C 13 27.282 0.2 . 1 . . . . 42 ARG CG . 15476 1 556 . 1 1 42 42 ARG N N 15 121.581 0.2 . 1 . . . . 42 ARG N . 15476 1 557 . 1 1 43 43 SER H H 1 8.218 0.02 . 1 . . . . 43 SER H . 15476 1 558 . 1 1 43 43 SER HA H 1 4.389 0.02 . 1 . . . . 43 SER HA . 15476 1 559 . 1 1 43 43 SER HB2 H 1 3.926 0.02 . 2 . . . . 43 SER HB2 . 15476 1 560 . 1 1 43 43 SER HB3 H 1 3.870 0.02 . 2 . . . . 43 SER HB3 . 15476 1 561 . 1 1 43 43 SER C C 13 174.872 0.2 . 1 . . . . 43 SER C . 15476 1 562 . 1 1 43 43 SER CA C 13 58.809 0.2 . 1 . . . . 43 SER CA . 15476 1 563 . 1 1 43 43 SER CB C 13 63.615 0.2 . 1 . . . . 43 SER CB . 15476 1 564 . 1 1 43 43 SER N N 15 116.338 0.2 . 1 . . . . 43 SER N . 15476 1 565 . 1 1 44 44 SER H H 1 8.247 0.02 . 1 . . . . 44 SER H . 15476 1 566 . 1 1 44 44 SER HA H 1 4.441 0.02 . 1 . . . . 44 SER HA . 15476 1 567 . 1 1 44 44 SER HB2 H 1 3.922 0.02 . 2 . . . . 44 SER HB2 . 15476 1 568 . 1 1 44 44 SER HB3 H 1 3.868 0.02 . 2 . . . . 44 SER HB3 . 15476 1 569 . 1 1 44 44 SER C C 13 174.653 0.2 . 1 . . . . 44 SER C . 15476 1 570 . 1 1 44 44 SER CA C 13 58.697 0.2 . 1 . . . . 44 SER CA . 15476 1 571 . 1 1 44 44 SER CB C 13 63.743 0.2 . 1 . . . . 44 SER CB . 15476 1 572 . 1 1 44 44 SER N N 15 117.375 0.2 . 1 . . . . 44 SER N . 15476 1 573 . 1 1 45 45 MET H H 1 8.194 0.02 . 1 . . . . 45 MET H . 15476 1 574 . 1 1 45 45 MET HA H 1 4.417 0.02 . 1 . . . . 45 MET HA . 15476 1 575 . 1 1 45 45 MET HB2 H 1 2.055 0.02 . 2 . . . . 45 MET HB2 . 15476 1 576 . 1 1 45 45 MET HB3 H 1 1.975 0.02 . 2 . . . . 45 MET HB3 . 15476 1 577 . 1 1 45 45 MET HG2 H 1 2.542 0.02 . 2 . . . . 45 MET HG2 . 15476 1 578 . 1 1 45 45 MET HG3 H 1 2.473 0.02 . 2 . . . . 45 MET HG3 . 15476 1 579 . 1 1 45 45 MET C C 13 176.033 0.2 . 1 . . . . 45 MET C . 15476 1 580 . 1 1 45 45 MET CA C 13 55.795 0.2 . 1 . . . . 45 MET CA . 15476 1 581 . 1 1 45 45 MET CB C 13 32.840 0.2 . 1 . . . . 45 MET CB . 15476 1 582 . 1 1 45 45 MET CG C 13 32.014 0.2 . 1 . . . . 45 MET CG . 15476 1 583 . 1 1 45 45 MET N N 15 122.021 0.2 . 1 . . . . 45 MET N . 15476 1 584 . 1 1 46 46 LYS H H 1 8.220 0.02 . 1 . . . . 46 LYS H . 15476 1 585 . 1 1 46 46 LYS HA H 1 4.276 0.02 . 1 . . . . 46 LYS HA . 15476 1 586 . 1 1 46 46 LYS HB2 H 1 1.801 0.02 . 2 . . . . 46 LYS HB2 . 15476 1 587 . 1 1 46 46 LYS HB3 H 1 1.730 0.02 . 2 . . . . 46 LYS HB3 . 15476 1 588 . 1 1 46 46 LYS HD2 H 1 1.659 0.02 . 2 . . . . 46 LYS HD2 . 15476 1 589 . 1 1 46 46 LYS HD3 H 1 1.659 0.02 . 2 . . . . 46 LYS HD3 . 15476 1 590 . 1 1 46 46 LYS HE2 H 1 2.975 0.02 . 2 . . . . 46 LYS HE2 . 15476 1 591 . 1 1 46 46 LYS HE3 H 1 2.975 0.02 . 2 . . . . 46 LYS HE3 . 15476 1 592 . 1 1 46 46 LYS HG2 H 1 1.428 0.02 . 2 . . . . 46 LYS HG2 . 15476 1 593 . 1 1 46 46 LYS HG3 H 1 1.358 0.02 . 2 . . . . 46 LYS HG3 . 15476 1 594 . 1 1 46 46 LYS C C 13 176.299 0.2 . 1 . . . . 46 LYS C . 15476 1 595 . 1 1 46 46 LYS CA C 13 56.399 0.2 . 1 . . . . 46 LYS CA . 15476 1 596 . 1 1 46 46 LYS CB C 13 32.834 0.2 . 1 . . . . 46 LYS CB . 15476 1 597 . 1 1 46 46 LYS CD C 13 29.089 0.2 . 1 . . . . 46 LYS CD . 15476 1 598 . 1 1 46 46 LYS CE C 13 42.169 0.2 . 1 . . . . 46 LYS CE . 15476 1 599 . 1 1 46 46 LYS CG C 13 24.800 0.2 . 1 . . . . 46 LYS CG . 15476 1 600 . 1 1 46 46 LYS N N 15 122.277 0.2 . 1 . . . . 46 LYS N . 15476 1 601 . 1 1 47 47 LEU H H 1 8.210 0.02 . 1 . . . . 47 LEU H . 15476 1 602 . 1 1 47 47 LEU HA H 1 4.299 0.02 . 1 . . . . 47 LEU HA . 15476 1 603 . 1 1 47 47 LEU HB2 H 1 1.573 0.02 . 2 . . . . 47 LEU HB2 . 15476 1 604 . 1 1 47 47 LEU HB3 H 1 1.483 0.02 . 2 . . . . 47 LEU HB3 . 15476 1 605 . 1 1 47 47 LEU HD11 H 1 0.881 0.02 . 1 . . . . 47 LEU HD1 . 15476 1 606 . 1 1 47 47 LEU HD12 H 1 0.881 0.02 . 1 . . . . 47 LEU HD1 . 15476 1 607 . 1 1 47 47 LEU HD13 H 1 0.881 0.02 . 1 . . . . 47 LEU HD1 . 15476 1 608 . 1 1 47 47 LEU HD21 H 1 0.821 0.02 . 1 . . . . 47 LEU HD2 . 15476 1 609 . 1 1 47 47 LEU HD22 H 1 0.821 0.02 . 1 . . . . 47 LEU HD2 . 15476 1 610 . 1 1 47 47 LEU HD23 H 1 0.821 0.02 . 1 . . . . 47 LEU HD2 . 15476 1 611 . 1 1 47 47 LEU HG H 1 1.561 0.02 . 1 . . . . 47 LEU HG . 15476 1 612 . 1 1 47 47 LEU C C 13 177.189 0.2 . 1 . . . . 47 LEU C . 15476 1 613 . 1 1 47 47 LEU CA C 13 55.134 0.2 . 1 . . . . 47 LEU CA . 15476 1 614 . 1 1 47 47 LEU CB C 13 42.301 0.2 . 1 . . . . 47 LEU CB . 15476 1 615 . 1 1 47 47 LEU CD1 C 13 24.964 0.2 . 1 . . . . 47 LEU CD1 . 15476 1 616 . 1 1 47 47 LEU CD2 C 13 23.522 0.2 . 1 . . . . 47 LEU CD2 . 15476 1 617 . 1 1 47 47 LEU CG C 13 27.118 0.2 . 1 . . . . 47 LEU CG . 15476 1 618 . 1 1 47 47 LEU N N 15 123.549 0.2 . 1 . . . . 47 LEU N . 15476 1 619 . 1 1 48 48 GLU H H 1 8.366 0.02 . 1 . . . . 48 GLU H . 15476 1 620 . 1 1 48 48 GLU HA H 1 4.211 0.02 . 1 . . . . 48 GLU HA . 15476 1 621 . 1 1 48 48 GLU HB2 H 1 1.899 0.02 . 2 . . . . 48 GLU HB2 . 15476 1 622 . 1 1 48 48 GLU HB3 H 1 1.840 0.02 . 2 . . . . 48 GLU HB3 . 15476 1 623 . 1 1 48 48 GLU HG2 H 1 2.186 0.02 . 2 . . . . 48 GLU HG2 . 15476 1 624 . 1 1 48 48 GLU HG3 H 1 2.125 0.02 . 2 . . . . 48 GLU HG3 . 15476 1 625 . 1 1 48 48 GLU C C 13 176.152 0.2 . 1 . . . . 48 GLU C . 15476 1 626 . 1 1 48 48 GLU CA C 13 56.461 0.2 . 1 . . . . 48 GLU CA . 15476 1 627 . 1 1 48 48 GLU CB C 13 30.428 0.2 . 1 . . . . 48 GLU CB . 15476 1 628 . 1 1 48 48 GLU CG C 13 36.149 0.2 . 1 . . . . 48 GLU CG . 15476 1 629 . 1 1 48 48 GLU N N 15 121.590 0.2 . 1 . . . . 48 GLU N . 15476 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15476 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D simultaneous CN-NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details ; C13 peak list from 3D simultaneous CN-NOESY; the aromatic peaks have been unaliased in the C13 dimension This peak list was converted to xeasy format for the final CYANA calculations and is the final C13 peak list used for RPF analysis Contains partial assignments; 2009 C13 peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; I10HD1-CD1-HD1 0.682 13.401 0.682 201702608 I10HG12-CD1-HD1 1.905 13.401 0.682 9720297 I10HG13-CD1-HD1 0.917 13.401 0.682 12998734 I10HB-CD1-HD1 2.041 13.401 0.682 5195680 I10HG2-CD1-HD1 0.794 13.401 0.682 7829196 I10HA-CD1-HD1 3.576 13.401 0.682 3709762 I10H-CD1-HD1 8.462 13.401 0.682 1325814 I10HA-CD1-HD1 3.576 13.401 0.682 3709762 ?-?-? 4.160 13.394 0.683 1109854 ?-?-? 3.612 13.401 0.683 4551784 ?-?-? 3.251 13.401 0.684 1596357 ?-?-? 3.028 13.400 0.684 3016595 ?-?-? 1.356 13.400 0.684 3556616 ?-?-? 7.026 13.405 0.684 1395381 ?-?-? 4.016 13.412 0.685 1611894 ?-?-? 1.690 13.420 0.685 1242738 ?-?-? 1.609 13.401 0.685 1162074 ?-?-? 1.110 13.407 0.685 1092279 L13HD1-CD2-HD2 0.778 21.656 0.749 237675056 L13HD2-CD2-HD2 0.749 21.656 0.749 246041312 L13HG-CD2-HD2 1.772 21.656 0.749 13048053 L13HB2-CD2-HD2 1.939 21.656 0.749 4153720 L13HB3-CD2-HD2 1.199 21.656 0.749 5208529 L13HA-CD2-HD2 3.948 21.656 0.749 8722614 ?-?-? 2.853 21.631 0.749 1447961 ?-?-? 1.551 21.638 0.750 4782268 ?-?-? 2.438 21.642 0.750 2564568 ?-?-? 2.374 21.642 0.750 2719566 ?-?-? 2.955 21.635 0.750 1028687 ?-?-? 4.083 21.639 0.750 1763316 ?-?-? 8.664 21.637 0.750 1531191 E26HG3-L13CD2-HD2 2.064 21.642 0.750 4666106 L13HD1-CD1-HD1 0.778 25.584 0.778 171875184 L13HD2-CD1-HD1 0.749 25.584 0.778 98187992 L13HG-CD1-HD1 1.772 25.584 0.778 3983312 L13HB2-CD1-HD1 1.939 25.584 0.778 4817320 L13HB3-CD1-HD1 1.199 25.584 0.778 3906553 L13H-CD1-HD1 8.669 25.584 0.778 454723 ?-?-? 8.891 25.610 0.780 1327842 ?-?-? 3.809 25.590 0.780 3729628 ?-?-? 2.381 25.565 0.780 3154160 ?-?-? 2.070 25.592 0.780 4938120 ?-?-? 1.461 25.618 0.780 2407673 ?-?-? 4.084 25.544 0.781 1011869 ?-?-? 2.252 25.554 0.781 2255608 L13HA-CD1-HD1 3.961 25.539 0.781 1390398 I10HA-L13CD1-HD1 3.580 25.545 0.782 1545340 I10HG2-CG2-HG2 0.794 16.531 0.794 319342816 I10HB-CG2-HG2 2.041 16.531 0.794 7198475 I10HD1-CG2-HG2 0.682 16.531 0.794 1431628 I10H-CG2-HG2 8.462 16.531 0.794 979642 I10HG12-CG2-HG2 1.905 16.531 0.794 3295284 I10HG13-CG2-HG2 0.917 16.531 0.794 7105800 ?-?-? 8.162 16.576 0.794 1276156 ?-?-? 4.490 16.547 0.795 1586900 I10HA-CG2-HG2 3.585 16.568 0.796 5215455 ?-?-? 1.530 16.577 0.796 2314174 ?-?-? 9.099 13.770 0.808 684929 I22HD1-CD1-HD1 0.809 13.758 0.809 186499776 I22HG12-CD1-HD1 1.799 13.758 0.809 6282720 I22HB-CD1-HD1 1.287 13.758 0.809 5017464 I22HG2-CD1-HD1 0.870 13.758 0.809 49370972 I22HA-CD1-HD1 4.347 13.758 0.809 1641124 I22H-CD1-HD1 6.842 13.758 0.809 281189 I22HA-CD1-HD1 4.347 13.758 0.809 1641124 ?-?-? 6.154 13.790 0.809 636971 ?-?-? 3.974 13.780 0.810 4543106 I22HG13-CD1-HD1 1.607 13.790 0.811 10079183 ?-?-? 2.435 13.791 0.811 2174982 ?-?-? 2.090 13.778 0.811 2107806 ?-?-? 1.923 13.789 0.811 3065524 ?-?-? 8.527 13.772 0.811 873593 ?-?-? 1.397 13.787 0.811 2927398 ?-?-? 8.657 13.820 0.811 582984 ?-?-? 7.658 13.819 0.812 468547 L47HD1-CD2-HD2 0.881 23.522 0.821 26010028 L47HD2-CD2-HD2 0.821 23.522 0.821 682784768 L47HG-CD2-HD2 1.561 23.522 0.821 3179025 L47HB2-CD2-HD2 1.573 23.522 0.821 2673440 L47HB3-CD2-HD2 1.483 23.522 0.821 2890803 L47HA-CD2-HD2 4.299 23.522 0.821 3170268 V21HG1-CG1-HG1 0.858 20.969 0.858 448075744 V21HG2-CG2-HG2 0.859 18.785 0.859 366260160 V21HB-CG2-HG2 2.424 18.785 0.859 9950737 V21H-CG2-HG2 7.678 18.785 0.859 7223274 ?-?-? 2.424 20.990 0.859 9943734 ?-?-? 1.544 21.013 0.859 4882383 ?-?-? 4.613 20.974 0.859 6596572 V21HA-CG2-HG2 4.614 18.721 0.860 1903341 ?-?-? 4.352 18.797 0.860 1321800 ?-?-? 4.033 18.767 0.860 6594981 ?-?-? 2.939 18.757 0.860 1372245 ?-?-? 1.763 18.754 0.860 2386640 ?-?-? 1.538 18.771 0.860 11224783 ?-?-? 1.319 18.758 0.860 4696702 ?-?-? 6.843 18.764 0.861 1395461 ?-?-? 1.904 18.756 0.861 2344444 I7HD1-CD1-HD1 0.863 12.617 0.863 341690368 I7HG12-CD1-HD1 1.655 12.617 0.863 6010648 I7HG13-CD1-HD1 1.102 12.617 0.863 7804456 I7HB-CD1-HD1 1.928 12.617 0.863 4457078 I7HG2-CD1-HD1 0.896 12.617 0.863 245693744 I7HA-CD1-HD1 3.615 12.617 0.863 2478690 I7H-CD1-HD1 7.887 12.617 0.863 888786 I7HA-CD1-HD1 3.615 12.617 0.863 2478690 ?-?-? 2.885 18.776 0.863 1186822 ?-?-? 6.760 12.541 0.865 1082396 ?-?-? 4.518 12.555 0.865 2261806 I2HD1-CD1-HD1 0.866 13.882 0.866 333749536 I2HG12-CD1-HD1 1.571 13.882 0.866 5908200 I2HG13-CD1-HD1 1.347 13.882 0.866 7247356 I2HB-CD1-HD1 1.918 13.882 0.866 5070224 I2HG2-CD1-HD1 0.975 13.882 0.866 1059086 I2HA-CD1-HD1 4.350 13.882 0.866 1195982 ?-?-? 1.707 13.793 0.867 4921606 ?-?-? 2.175 13.869 0.867 1963518 ?-?-? 3.025 13.863 0.868 2399528 ?-?-? 4.164 13.889 0.868 2806251 ?-?-? 9.103 15.651 0.869 577086 ?-?-? 7.023 13.859 0.869 1372326 I22HG2-CG2-HG2 0.870 15.723 0.870 260374288 I22HB-CG2-HG2 1.287 15.723 0.870 8326114 I22HD1-CG2-HG2 0.809 15.723 0.870 67924640 I22HA-CG2-HG2 4.347 15.723 0.870 2097097 I22H-CG2-HG2 6.842 15.723 0.870 6039638 I22HG12-CG2-HG2 1.799 15.723 0.870 2771080 I22HG13-CG2-HG2 1.628 15.723 0.870 8687645 K27HD2-I22CG2-HG2 1.667 15.723 0.870 8236479 K27HE2-I22CG2-HG2 2.865 15.675 0.871 2154560 ?-?-? 4.026 15.674 0.871 7035150 ?-?-? 4.611 15.632 0.871 696806 K27HG3-I22CG2-HG2 1.395 15.700 0.871 3085766 ?-?-? 1.572 15.723 0.871 7278259 K27HB3-I22CG2-HG2 1.910 15.785 0.871 1858388 K27HE3-I22CG2-HG2 2.804 15.723 0.872 2063038 L47HD1-CD1-HD1 0.881 24.964 0.881 652008576 L47HD2-CD1-HD1 0.821 24.964 0.881 47327456 L47HG-CD1-HD1 1.561 24.964 0.881 3632067 L47HB2-CD1-HD1 1.573 24.964 0.881 3216855 L47HB3-CD1-HD1 1.483 24.964 0.881 2677473 L47HA-CD1-HD1 4.299 24.964 0.881 942885 L47HA-CD1-HD1 4.299 24.964 0.881 942885 L38HD1-CD2-HD2 0.922 22.928 0.888 324329568 L38HD2-CD2-HD2 0.888 22.928 0.888 459983296 L38HG-CD2-HD2 1.868 22.928 0.888 10843797 L38HB3-CD2-HD2 1.585 22.928 0.888 5398013 L38HA-CD2-HD2 4.072 22.928 0.888 8827409 ?-?-? 7.025 23.006 0.890 1468592 ?-?-? 7.553 17.287 0.895 1327355 I7HG2-CG2-HG2 0.896 17.205 0.896 386710880 I7HB-CG2-HG2 1.928 17.205 0.896 8578208 I7HD1-CG2-HG2 0.863 17.205 0.896 265480288 I7HA-CG2-HG2 3.615 17.205 0.896 4842830 I7H-CG2-HG2 7.887 17.205 0.896 1008334 I7HG12-CG2-HG2 1.655 17.205 0.896 3458756 I7HG13-CG2-HG2 1.102 17.205 0.896 5625234 ?-?-? 4.166 17.273 0.897 1769195 ?-?-? 8.062 17.256 0.897 1264203 ?-?-? 6.877 17.264 0.898 1858789 ?-?-? 4.513 17.362 0.899 1070510 I10HG2-CG1-HG13 0.794 31.292 0.921 2744980 I10HD1-CG1-HG13 0.686 31.276 0.921 4283990 I10HG13-CG1-HG13 0.921 31.293 0.921 17901526 I10HG12-CG1-HG13 1.907 31.273 0.921 11512092 ?-?-? 1.356 31.282 0.921 1621312 ?-?-? 2.039 31.279 0.921 1427563 L33HD1-CD1-HD1 0.922 26.394 0.922 206619488 L38HD1-CD1-HD1 0.922 25.277 0.922 470225472 L33HD2-CD1-HD1 0.964 26.394 0.922 96450608 L38HD2-CD1-HD1 0.888 25.277 0.922 317892224 L33HG-CD1-HD1 1.904 26.394 0.922 14749381 L38HG-CD1-HD1 1.868 25.277 0.922 13000754 L33HB3-CD1-HD1 1.353 26.394 0.922 3902771 L38HB3-CD1-HD1 1.585 25.277 0.922 7073547 L33HA-CD1-HD1 4.153 26.394 0.922 1509004 L38HA-CD1-HD1 4.072 25.277 0.922 2952141 L33H-CD1-HD1 8.617 26.394 0.922 879694 L38H-CD1-HD1 8.229 25.277 0.922 657000 L33HA-CD1-HD1 4.153 26.394 0.922 1509004 L38HA-CD1-HD1 4.072 25.277 0.922 2952141 ?-?-? 3.582 31.283 0.922 3059442 ?-?-? 8.458 31.275 0.922 1291098 I10H-L33CD1-HD1 8.450 26.448 0.922 468963 ?-?-? 2.380 26.295 0.923 1849900 ?-?-? 1.452 26.314 0.924 3338666 ?-?-? 3.808 26.352 0.924 1893467 ?-?-? 2.243 26.291 0.925 2206601 L33HD1-CD2-HD2 0.922 22.690 0.964 130847320 L33HD2-CD2-HD2 0.964 22.690 0.964 349688736 L33HG-CD2-HD2 1.904 22.690 0.964 12504133 L33HB2-CD2-HD2 1.918 22.690 0.964 12504133 L33HB3-CD2-HD2 1.353 22.690 0.964 6674257 L33HA-CD2-HD2 4.153 22.690 0.964 9353896 ?-?-? 1.703 22.736 0.965 6407478 ?-?-? 1.504 22.739 0.965 2569270 ?-?-? 8.612 22.660 0.965 1177544 ?-?-? 2.967 22.738 0.966 2903280 ?-?-? 7.025 17.471 0.974 649860 I2HG2-CG2-HG2 0.975 17.466 0.975 405658720 I2HB-CG2-HG2 1.918 17.466 0.975 7748936 I2HA-CG2-HG2 4.350 17.466 0.975 3592350 I2HG12-CG2-HG2 1.571 17.466 0.975 2413313 I2HG13-CG2-HG2 1.347 17.466 0.975 3827318 ?-?-? 1.661 17.499 0.975 2729606 ?-?-? 3.774 17.507 0.975 741533 ?-?-? 4.169 17.498 0.975 1888766 ?-?-? 4.025 17.485 0.976 863704 I7HG2-CG1-HG13 0.896 28.999 1.102 6153984 I7HD1-CG1-HG13 0.863 28.999 1.102 6105874 I7HG13-CG1-HG13 1.102 28.999 1.102 33732316 I7HG12-CG1-HG13 1.655 28.999 1.102 15592294 ?-?-? 7.883 29.014 1.104 1935341 ?-?-? 1.930 29.027 1.104 2124648 ?-?-? 3.618 29.020 1.104 2461983 L13HD1-CB-HB3 0.778 41.160 1.199 6222610 L13HB2-CB-HB3 1.939 41.160 1.199 11790147 L13HD2-CB-HB3 0.749 41.160 1.199 4367634 L13HB3-CB-HB3 1.200 41.171 1.200 16724706 L13HA-CB-HB3 3.952 41.171 1.200 2428890 ?-?-? 7.657 41.163 1.200 377087 L13H-CB-HB3 8.665 41.172 1.201 1447349 A14H-L13CB-HB3 8.329 41.146 1.201 697952 ?-?-? 3.579 41.171 1.201 606467 ?-?-? 2.371 41.172 1.201 967366 ?-?-? 2.090 41.167 1.201 1188222 ?-?-? 1.774 41.166 1.201 2258282 I22HB-CB-HB 1.287 40.142 1.287 24475820 I22HG2-CB-HB 0.870 40.142 1.287 6971164 I22HD1-CB-HB 0.809 40.142 1.287 5251382 I22HG12-CB-HB 1.799 40.142 1.287 2284538 I22HG13-CB-HB 1.628 40.142 1.287 1978399 ?-?-? 8.528 40.158 1.288 706938 I22H-CB-HB 6.842 40.162 1.289 4103980 I22HA-CB-HB 4.353 40.163 1.289 3345010 T23H-I22CB-HB 9.100 40.142 1.289 652034 ?-?-? 1.903 40.235 1.289 1302500 ?-?-? 4.028 40.167 1.289 2674592 ?-?-? 7.675 40.186 1.289 422142 ?-?-? 1.562 40.142 1.291 2562326 K16HA-CG-HG3 4.026 26.123 1.320 2174830 K16H-CG-HG3 7.977 26.123 1.320 1288680 K16HG2-CG-HG3 1.775 26.123 1.320 13346376 K16HG3-CG-HG3 1.320 26.123 1.320 23515646 K16HB2-CG-HG3 1.896 26.123 1.320 1927312 K16HB3-CG-HG3 1.514 26.123 1.320 3683144 K16HD2-CG-HG3 1.663 26.123 1.320 1435361 K16HD3-CG-HG3 1.548 26.123 1.320 4345368 ?-?-? 2.937 26.074 1.322 1040115 T23HG2-CG2-HG2 1.323 21.650 1.323 318626016 T23HB-CG2-HG2 4.798 21.650 1.323 11568510 T23HA-CG2-HG2 4.597 21.650 1.323 6308101 T23H-CG2-HG2 9.104 21.650 1.323 6390002 ?-?-? 2.859 26.123 1.323 596395 E24H-T23CG2-HG2 9.015 21.650 1.324 1260126 ?-?-? 4.354 21.628 1.324 1518631 ?-?-? 0.860 25.986 1.331 4668160 ?-?-? 7.028 27.240 1.346 378972 I2HG2-CG1-HG13 0.975 27.221 1.347 2388979 I2HD1-CG1-HG13 0.866 27.221 1.347 4527456 I2HG13-CG1-HG13 1.347 27.221 1.347 43531492 I2HG12-CG1-HG13 1.571 27.221 1.347 14391934 ?-?-? 4.352 27.239 1.347 761939 ?-?-? 4.156 27.084 1.350 676873 ?-?-? 1.915 27.062 1.352 2960984 ?-?-? 1.999 27.221 1.352 1220192 L33HB3-CB-HB3 1.353 42.585 1.353 17243934 L33HD1-CB-HB3 0.922 42.585 1.353 5866672 L33HB2-CB-HB3 1.918 42.585 1.353 14769902 L33HD2-CB-HB3 0.964 42.585 1.353 4922309 L33HA-CB-HB3 4.160 42.594 1.355 2467470 L33H-CB-HB3 8.614 42.582 1.355 1575895 R34H-L33CB-HB3 8.415 42.584 1.355 842356 ?-?-? 3.809 42.550 1.355 827875 ?-?-? 0.685 42.588 1.356 1731819 ?-?-? 0.794 42.555 1.356 502026 K46HA-CG-HG3 4.276 24.800 1.358 665674 K46HG2-CG-HG3 1.428 24.800 1.358 69891888 K46HG3-CG-HG3 1.358 24.800 1.358 57722968 K46HB2-CG-HG3 1.801 24.800 1.358 1289225 K46HB3-CG-HG3 1.730 24.800 1.358 964128 K46HD2-CG-HG3 1.659 24.800 1.358 1314527 ?-?-? 2.979 24.779 1.361 432006 ?-?-? 0.959 26.762 1.385 1775776 K6HA-CG-HG3 4.119 26.773 1.388 2010876 K6HG2-CG-HG3 1.522 26.773 1.388 11563966 K6HG3-CG-HG3 1.388 26.773 1.388 42478372 K6HB2-CG-HG3 2.009 26.773 1.388 1756256 K6HB3-CG-HG3 1.710 26.773 1.388 9032206 K6HD2-CG-HG3 1.731 26.773 1.388 5373574 K6HD3-CG-HG3 1.678 26.773 1.388 11480127 ?-?-? 0.858 26.811 1.388 1463800 K6H-CG-HG3 7.850 26.704 1.391 607095 ?-?-? 2.965 26.708 1.391 1935307 K27HA-CG-HG3 3.964 26.074 1.397 2806719 K27HG2-CG-HG3 1.664 26.074 1.397 21596592 K27HG3-CG-HG3 1.397 26.074 1.397 54782320 K27HB2-CG-HG3 1.951 26.074 1.397 2966623 K27HB3-CG-HG3 1.903 26.074 1.397 3725700 K27HD2-CG-HG3 1.664 26.074 1.397 21596592 ?-?-? 0.859 26.079 1.398 2536898 ?-?-? 0.809 26.074 1.398 2414576 K27HE3-CG-HG3 2.805 26.074 1.399 685317 K27HE2-CG-HG3 2.869 26.044 1.399 987226 K27H-CG-HG3 8.657 26.045 1.400 661358 K46HA-CG-HG2 4.276 24.800 1.428 780501 K46HG3-CG-HG2 1.358 24.800 1.428 65763904 K46HG2-CG-HG2 1.428 24.800 1.428 148891408 K46HB3-CG-HG2 1.730 24.800 1.428 3576819 K46HB2-CG-HG2 1.801 24.800 1.428 1545297 K46HD2-CG-HG2 1.659 24.800 1.428 6796620 K46HD3-CG-HG2 1.659 24.800 1.428 6796620 A5HB-CB-HB 1.437 18.468 1.437 369585504 A5HA-CB-HB 4.191 18.468 1.437 12137067 K6H-A5CB-HB 7.844 18.468 1.437 2099224 A5H-CB-HB 8.504 18.468 1.437 345937 K32HA-CG-HG3 4.096 25.051 1.440 1889034 K32H-CG-HG3 7.739 25.051 1.440 641669 K32HG2-CG-HG3 1.608 25.051 1.440 19662626 K32HG3-CG-HG3 1.440 25.051 1.440 161433488 K32HB2-CG-HG3 2.028 25.051 1.440 3054132 K32HB3-CG-HG3 1.997 25.051 1.440 3413174 K32HD2-CG-HG3 1.694 25.051 1.440 7065106 ?-?-? 2.988 25.057 1.443 2020279 K39H-CG-HG3 7.790 25.057 1.454 415121 K39HG2-CG-HG3 1.574 25.057 1.454 36872732 K39HG3-CG-HG3 1.454 25.057 1.454 132858128 K39HB2-CG-HG3 1.886 25.057 1.454 4949149 K39HD3-CG-HG3 1.689 25.057 1.454 9130407 K39HA-CG-HG3 4.151 25.057 1.457 1684958 E36HA-K39CG-HG3 4.018 25.057 1.457 827294 R9HA-CG-HG3 4.226 26.130 1.460 830883 R9H-CG-HG3 7.769 26.130 1.460 363548 R9HG2-CG-HG3 1.841 26.130 1.460 8730773 R9HG3-CG-HG3 1.460 26.130 1.460 24248910 R9HB2-CG-HG3 2.238 26.130 1.460 2447427 R9HB3-CG-HG3 1.969 26.130 1.460 2403752 R9HD2-CG-HG3 3.458 26.130 1.460 1494453 R9HD3-CG-HG3 2.994 26.130 1.460 1503274 R9HE-CG-HG3 8.007 26.130 1.460 1153856 ?-?-? 0.927 26.085 1.460 2655850 ?-?-? 0.778 26.123 1.461 1870151 ?-?-? 2.990 25.057 1.470 1634798 K18HA-CG-HG3 4.053 25.038 1.476 1131957 K18H-CG-HG3 8.125 25.038 1.476 379200 K18HG2-CG-HG3 1.557 25.038 1.476 48886564 K18HG3-CG-HG3 1.476 25.038 1.476 73881064 K18HB2-CG-HG3 1.943 25.038 1.476 3912610 K18HD2-CG-HG3 1.701 25.038 1.476 7111244 A8HB-CB-HB 1.478 17.517 1.478 391721856 A8H-CB-HB 8.062 17.517 1.478 9921709 A8HA-CB-HB 4.160 17.517 1.478 15912705 R9H-A8CB-HB 7.769 17.517 1.478 3327147 A5HA-A8CB-HB 4.194 17.610 1.479 14235258 ?-?-? 0.893 17.598 1.481 1414208 L47HB3-CB-HB3 1.483 42.301 1.483 60192964 L47HD1-CB-HB3 0.881 42.301 1.483 1425946 L47HB2-CB-HB3 1.573 42.301 1.483 47636700 L47HD2-CB-HB3 0.821 42.301 1.483 1115530 L47HA-CB-HB3 4.300 42.328 1.484 1887732 L47H-CB-HB3 8.209 42.335 1.486 568335 K16HB3-CB-HB3 1.514 32.727 1.514 14003785 K16HA-CB-HB3 4.026 32.727 1.514 2200768 K16HG3-CB-HB3 1.320 32.727 1.514 3479162 K16HG2-CB-HB3 1.775 32.727 1.514 2510996 K16HD3-CB-HB3 1.548 32.727 1.514 10296396 K16HB2-CB-HB3 1.896 32.727 1.514 7026725 K16H-CB-HB3 7.977 32.727 1.514 1450188 K16HD2-CB-HB3 1.663 32.727 1.514 1321823 A17H-K16CB-HB3 8.527 32.727 1.514 757088 ?-?-? 4.351 32.760 1.515 1184914 ?-?-? 0.857 32.756 1.516 2704692 ?-?-? 3.957 32.674 1.516 1140400 ?-?-? 0.958 26.635 1.517 1067347 ?-?-? 2.970 26.726 1.518 1614054 ?-?-? 0.863 26.811 1.518 1075661 ?-?-? 6.840 32.779 1.518 461878 K6H-CG-HG2 7.851 26.710 1.519 752747 K6HA-CG-HG2 4.119 26.773 1.522 1261315 K6HG3-CG-HG2 1.388 26.773 1.522 11940375 K6HG2-CG-HG2 1.522 26.773 1.522 29020180 K6HB3-CG-HG2 1.710 26.773 1.522 7439131 K6HB2-CG-HG2 2.009 26.773 1.522 1677158 K6HD2-CG-HG2 1.731 26.773 1.522 5833300 K6HD3-CG-HG2 1.678 26.773 1.522 6853150 A14HB-CB-HB 1.525 17.838 1.525 552054464 A14H-CB-HB 8.326 17.838 1.525 7729786 A15H-A14CB-HB 7.794 17.838 1.525 5404698 ?-?-? 4.492 17.795 1.529 5027614 A14HA-CB-HB 4.081 17.838 1.530 16187688 ?-?-? 0.796 17.804 1.532 1982956 A28HB-CB-HB 1.534 17.610 1.534 815000640 A28H-CB-HB 7.648 17.610 1.534 10806432 A28HA-CB-HB 4.216 17.610 1.534 18394184 E29H-A28CB-HB 7.915 17.610 1.534 3762973 E25HA-A28CB-HB 4.119 17.610 1.534 14083109 ?-?-? 2.969 17.678 1.537 1843093 ?-?-? 2.796 17.708 1.538 1724633 A19HB-CB-HB 1.544 19.483 1.544 364333888 A19H-CB-HB 7.659 19.483 1.544 11841530 A19HA-CB-HB 4.355 19.483 1.544 11608124 G20H-A19CB-HB 7.758 19.483 1.544 1044070 A15HB-CB-HB 1.545 17.568 1.545 777313920 A15H-CB-HB 7.794 17.568 1.545 11902374 A15HA-CB-HB 4.176 17.568 1.545 18744530 K16H-A15CB-HB 7.977 17.568 1.545 4164666 ?-?-? 4.032 19.555 1.545 4967944 ?-?-? 2.420 19.599 1.545 1248476 K18H-CG-HG2 8.128 25.035 1.546 460827 ?-?-? 1.934 19.606 1.548 2326839 K16HD3-CD-HD3 1.548 29.898 1.548 44032812 K16HD2-CD-HD3 1.663 29.898 1.548 8232885 K16HB3-CD-HD3 1.514 29.898 1.548 16532327 K16HB2-CD-HD3 1.896 29.898 1.548 1621799 K16HG3-CD-HD3 1.320 29.898 1.548 2465854 K16HG2-CD-HD3 1.775 29.898 1.548 3256298 K16HE3-CD-HD3 2.859 29.898 1.548 1087975 K16HE2-CD-HD3 2.936 29.898 1.548 1237041 ?-?-? 0.754 29.887 1.551 2179983 ?-?-? 0.848 29.898 1.551 663900 K18HA-CG-HG2 4.053 25.038 1.557 1389153 K18HG3-CG-HG2 1.476 25.038 1.557 61046092 K18HG2-CG-HG2 1.557 25.038 1.557 87800760 K18HB3-CG-HG2 1.930 25.038 1.557 4019799 K18HD2-CG-HG2 1.701 25.038 1.557 10976823 ?-?-? 2.978 25.084 1.558 1745230 L47HB2-CG-HG 1.573 27.118 1.561 134717072 L47HB3-CG-HG 1.483 27.118 1.561 6832573 L47HD1-CG-HG 0.881 27.118 1.561 2077786 L47HD2-CG-HG 0.821 27.118 1.561 1347910 L47HA-CG-HG 4.299 27.118 1.561 1277127 K39HA-CG-HG2 4.147 25.118 1.565 1167080 E36HA-K39CG-HG2 4.016 25.057 1.566 811082 I2HG2-CG1-HG12 0.975 27.221 1.571 1217445 I2HD1-CG1-HG12 0.866 27.221 1.571 4285376 I2HG12-CG1-HG12 1.571 27.221 1.571 155520592 I2HG13-CG1-HG12 1.347 27.221 1.571 13650034 ?-?-? 2.006 27.084 1.571 1163250 A17HB-CB-HB 1.573 17.858 1.573 335543840 L47HB2-CB-HB2 1.573 42.301 1.573 98958408 A17H-CB-HB 8.527 17.858 1.573 8191540 L47H-CB-HB2 8.210 42.301 1.573 1700961 A17HA-CB-HB 4.036 17.858 1.573 15810082 L47HA-CB-HB2 4.299 42.301 1.573 1971627 L47HD2-CB-HB2 0.821 42.301 1.573 1061839 L47HD1-CB-HB2 0.881 42.301 1.573 6087910 L47HB3-CB-HB2 1.483 42.301 1.573 42963868 K18H-A17CB-HB 8.125 17.858 1.573 4439771 K39H-CG-HG2 7.790 25.057 1.574 575057 K39HG3-CG-HG2 1.454 25.057 1.574 19260236 K39HG2-CG-HG2 1.574 25.057 1.574 70006824 K39HB3-CG-HG2 1.886 25.057 1.574 2646994 K39HB2-CG-HG2 1.886 25.057 1.574 2646994 K39HD2-CG-HG2 1.689 25.057 1.574 8470875 ?-?-? 4.342 27.084 1.574 1656754 ?-?-? 4.164 27.188 1.574 509424 ?-?-? 7.660 17.836 1.574 1447934 ?-?-? 4.080 17.858 1.574 12838225 ?-?-? 6.156 17.845 1.576 2155549 ?-?-? 0.850 17.864 1.576 8710919 ?-?-? 0.803 17.838 1.577 5977894 L38HB3-CB-HB3 1.585 42.020 1.585 89211424 L38HD1-CB-HB3 0.922 42.020 1.585 7182448 L38HD2-CB-HB3 0.888 42.020 1.585 7371937 ?-?-? 1.908 27.221 1.585 3870323 L38H-CB-HB3 8.227 42.091 1.587 2226365 L38HA-CB-HB3 4.078 42.038 1.588 4120504 L38HB2-CB-HB3 1.867 42.034 1.588 23557682 R42HA-CG-HG3 4.269 27.282 1.589 1013051 R42HG2-CG-HG3 1.618 27.282 1.589 89588288 R42HG3-CG-HG3 1.589 27.282 1.589 111092168 R42HB2-CG-HG3 1.850 27.282 1.589 6928192 R42HB3-CG-HG3 1.763 27.282 1.589 6296320 R42HD2-CG-HG3 3.171 27.282 1.589 2714906 K39H-L38CB-HB3 7.790 41.996 1.589 737606 ?-?-? 0.907 27.894 1.605 2026896 R34HG2-CG-HG3 1.826 27.894 1.607 14460812 R34HG3-CG-HG3 1.607 27.894 1.607 79567944 R34HB2-CG-HG3 1.961 27.894 1.607 5300628 R34HB3-CG-HG3 1.939 27.894 1.607 4562884 R34HD2-CG-HG3 3.202 27.894 1.607 3258259 R34HD3-CG-HG3 3.147 27.894 1.607 3288674 K32HA-CG-HG2 4.096 25.051 1.608 1390317 K32H-CG-HG2 7.739 25.051 1.608 902363 K32HG3-CG-HG2 1.440 25.051 1.608 7635110 K32HG2-CG-HG2 1.608 25.051 1.608 74998856 K32HB3-CG-HG2 1.997 25.051 1.608 3123919 K32HB2-CG-HG2 2.028 25.051 1.608 2185213 K32HD2-CG-HG2 1.694 25.051 1.608 8151622 ?-?-? 0.682 27.896 1.608 399277 ?-?-? 2.980 25.091 1.609 962317 Q31HA-R34CG-HG3 4.091 27.894 1.609 660736 R34HA-CG-HG3 4.018 27.939 1.610 1987507 ?-?-? 0.812 27.894 1.610 753594 R34H-CG-HG3 8.412 28.011 1.611 540033 R42HA-CG-HG2 4.269 27.282 1.618 1088792 R42HG3-CG-HG2 1.589 27.282 1.618 80213080 R42HG2-CG-HG2 1.618 27.282 1.618 71328232 R42HB3-CG-HG2 1.763 27.282 1.618 7412800 R42HB2-CG-HG2 1.850 27.282 1.618 5276196 R42HD2-CG-HG2 3.171 27.282 1.618 3159487 ?-?-? 9.100 30.562 1.624 1486620 ?-?-? 1.296 30.593 1.625 1394040 ?-?-? 4.353 30.554 1.625 1913532 ?-?-? 2.459 30.503 1.626 1851621 K27HG3-I22CG1-HG13 1.392 30.502 1.626 1817518 I22HG2-CG1-HG13 0.870 30.502 1.628 3489682 I22HD1-CG1-HG13 0.809 30.502 1.628 4753302 I22HG13-CG1-HG13 1.628 30.502 1.628 29379494 I22HG12-CG1-HG13 1.799 30.502 1.628 8460316 ?-?-? 8.658 30.365 1.631 782931 ?-?-? 8.659 30.009 1.653 1128088 ?-?-? 7.883 28.982 1.654 2808884 I7HG2-CG1-HG12 0.896 28.999 1.655 6340550 I7HD1-CG1-HG12 0.863 28.999 1.655 6915641 I7HG12-CG1-HG12 1.655 28.999 1.655 449172544 I7HG13-CG1-HG12 1.102 28.999 1.655 15960873 ?-?-? 3.618 29.098 1.656 2000407 K46HD3-CD-HD3 1.659 29.089 1.659 447835168 K46HB3-CD-HD3 1.730 29.089 1.659 66432760 K46HB2-CD-HD3 1.801 29.089 1.659 2754390 K46HG3-CD-HD3 1.358 29.089 1.659 610821 K46HG2-CD-HD3 1.428 29.089 1.659 4368140 K46HG3-CD-HD2 1.358 29.089 1.659 610821 K46HG2-CD-HD2 1.428 29.089 1.659 4368140 K46HE3-CD-HD3 2.975 29.089 1.659 5007077 ?-?-? 3.972 29.813 1.660 3968524 ?-?-? 0.961 29.623 1.662 1574387 K27HE3-CG-HG2 2.801 26.074 1.663 902881 K16HB3-CD-HD2 1.514 29.898 1.663 879224 K16HG2-CD-HD2 1.775 29.898 1.663 7465444 K16HE3-CD-HD2 2.859 29.898 1.663 2898981 K16HE2-CD-HD2 2.936 29.898 1.663 2763621 K27HA-CG-HG2 3.964 26.074 1.664 2173991 K27H-CG-HG2 8.659 26.074 1.664 1704005 K27HG3-CG-HG2 1.397 26.074 1.664 14171734 K27HB3-CG-HG2 1.903 26.074 1.664 3008915 K27HB2-CG-HG2 1.951 26.074 1.664 2308410 K27HD2-CG-HG2 1.664 26.074 1.664 41221396 K27HD3-CD-HD3 1.664 29.901 1.664 340844192 K27HB3-CD-HD3 1.903 29.901 1.664 7712772 K27HB2-CD-HD3 1.951 29.901 1.664 6523924 K27HG3-CD-HD3 1.397 29.901 1.664 9778190 K27HE3-CD-HD3 2.800 29.901 1.664 2622285 K27HE2-CD-HD3 2.876 29.901 1.664 2639103 ?-?-? 0.865 30.038 1.664 4276248 ?-?-? 0.855 26.052 1.665 2142712 K27HE2-CG-HG2 2.859 26.074 1.666 880198 ?-?-? 0.811 26.074 1.666 1720531 K6HD3-CD-HD3 1.678 29.350 1.678 462850880 K6HD2-CD-HD3 1.731 29.350 1.678 190286688 K6HB3-CD-HD3 1.710 29.350 1.678 368997408 K6HB2-CD-HD3 2.009 29.350 1.678 3697797 K6HG3-CD-HD3 1.388 29.350 1.678 4640836 K6HG2-CD-HD3 1.522 29.350 1.678 10637148 K6HE3-CD-HD3 2.959 29.350 1.678 5989868 K6HE2-CD-HD3 2.983 29.350 1.678 6721582 ?-?-? 4.354 29.950 1.688 1150664 ?-?-? 4.357 29.582 1.688 1240870 K39HD3-CD-HD3 1.689 29.213 1.689 587852608 K39HB3-CD-HD3 1.886 29.213 1.689 7625257 K39HG3-CD-HD3 1.454 29.213 1.689 4290133 K39HG2-CD-HD3 1.574 29.213 1.689 17171874 K39HE3-CD-HD3 2.984 29.213 1.689 10390491 K32HD3-CD-HD3 1.694 29.333 1.694 772362240 K32HB3-CD-HD3 1.997 29.333 1.694 7241273 K32HB2-CD-HD3 2.028 29.333 1.694 4635184 K32HG3-CD-HD3 1.440 29.333 1.694 6081122 K32HG2-CD-HD3 1.608 29.333 1.694 805499 K32HE3-CD-HD3 2.979 29.333 1.694 13988295 ?-?-? 0.756 30.106 1.695 1665802 ?-?-? 3.967 29.623 1.696 2478130 ?-?-? 4.061 29.382 1.697 2886546 K18HD3-CD-HD3 1.701 29.364 1.701 663916224 K18HB3-CD-HD3 1.930 29.364 1.701 8653091 K18HG3-CD-HD3 1.476 29.364 1.701 8174632 K18HG2-CD-HD3 1.557 29.364 1.701 24968402 K18HE3-CD-HD3 2.979 29.364 1.701 11675560 ?-?-? 0.756 29.934 1.702 1492240 K6HB3-CB-HB3 1.710 32.639 1.710 41414628 K6HG3-CB-HB3 1.388 32.639 1.710 2154594 K6HG2-CB-HB3 1.522 32.639 1.710 2072874 K6HD3-CB-HB3 1.678 32.639 1.710 21736104 K6HD2-CB-HB3 1.731 32.639 1.710 48199592 I7H-K6CB-HB3 7.887 32.639 1.717 1212091 K6HA-CB-HB3 4.122 32.719 1.718 2504908 K6HB2-CB-HB3 2.003 32.713 1.718 12094677 K6H-CB-HB3 7.844 32.639 1.718 1335996 ?-?-? 0.962 32.660 1.718 2066772 ?-?-? 0.873 32.678 1.718 1780250 ?-?-? 2.975 32.950 1.723 757155 K46HA-CB-HB3 4.279 32.852 1.725 1562085 K46H-CB-HB3 8.214 32.779 1.725 466515 ?-?-? 0.962 29.421 1.728 1629941 K46HB3-CB-HB3 1.730 32.834 1.730 77163104 K46HG3-CB-HB3 1.358 32.834 1.730 2155581 K46HG2-CB-HB3 1.428 32.834 1.730 2596480 K46HD3-CB-HB3 1.659 32.834 1.730 7866310 K46HB2-CB-HB3 1.801 32.834 1.730 56535844 K46HD2-CB-HB3 1.659 32.834 1.730 7866310 K6HD2-CD-HD2 1.731 29.350 1.731 116400736 K6HD3-CD-HD2 1.678 29.350 1.731 127852544 K6HB3-CD-HD2 1.710 29.350 1.731 154059344 K6HB2-CD-HD2 2.009 29.350 1.731 2818419 K6HG3-CD-HD2 1.388 29.350 1.731 2527648 K6HG2-CD-HD2 1.522 29.350 1.731 4858858 K6HE3-CD-HD2 2.959 29.350 1.731 3089590 K6HE2-CD-HD2 2.983 29.350 1.731 3318203 ?-?-? 4.362 30.606 1.740 741213 E26H-CB-HB3 7.837 30.506 1.742 1135371 E26HA-CB-HB3 4.082 30.426 1.743 1594262 E26HG2-CB-HB3 2.351 30.606 1.743 1603630 E26HB2-CB-HB3 2.461 30.531 1.743 7109604 K27H-E26CB-HB3 8.659 30.501 1.744 584246 ?-?-? 9.100 30.547 1.744 1687235 ?-?-? 0.772 30.518 1.744 3371642 E26HG3-CB-HB3 2.065 30.457 1.746 2289591 E26HB3-CB-HB3 1.755 30.606 1.755 45626488 R42HB2-CB-HB3 1.847 30.801 1.755 31388736 R42HA-CB-HB3 4.272 30.771 1.758 1687748 R42HD2-CB-HB3 3.175 30.745 1.758 1530186 R42HG3-CB-HB3 1.589 30.801 1.763 7190006 R42HG2-CB-HB3 1.618 30.801 1.763 8356126 R42HB3-CB-HB3 1.763 30.801 1.763 45353348 ?-?-? 3.460 26.725 1.771 935142 L13H-CG-HG 8.669 26.709 1.772 3334482 L13HB2-CG-HG 1.939 26.709 1.772 3680856 L13HB3-CG-HG 1.199 26.709 1.772 1738038 L13HD1-CG-HG 0.778 26.709 1.772 6223774 L13HD2-CG-HG 0.749 26.709 1.772 5510204 L13HA-CG-HG 3.948 26.709 1.772 1548562 ?-?-? 2.382 26.447 1.773 532382 ?-?-? 1.518 32.741 1.774 899540 I10HA-L13CG-HG 3.579 26.662 1.775 383591 K16HA-CG-HG2 4.026 26.123 1.775 1539166 K16H-CG-HG2 7.977 26.123 1.775 1957364 K16HG3-CG-HG2 1.320 26.123 1.775 12184215 K16HG2-CG-HG2 1.775 26.123 1.775 33071920 K16HB3-CG-HG2 1.514 26.123 1.775 2847040 K16HB2-CG-HG2 1.896 26.123 1.775 3465410 K16HD2-CG-HG2 1.663 26.123 1.775 2096654 K16HD3-CG-HG2 1.548 26.123 1.775 4199100 ?-?-? 2.251 26.637 1.775 752296 ?-?-? 2.857 26.134 1.777 777680 ?-?-? 2.943 26.168 1.778 962251 ?-?-? 9.101 30.560 1.793 1777077 ?-?-? 8.661 30.534 1.793 379995 ?-?-? 2.455 30.502 1.793 2217932 ?-?-? 1.295 30.553 1.794 2108538 ?-?-? 4.352 30.556 1.794 3534527 I22HG2-CG1-HG12 0.870 30.502 1.799 2500255 I22HD1-CG1-HG12 0.809 30.502 1.799 4503780 I22HG12-CG1-HG12 1.799 30.502 1.799 24195188 I22HG13-CG1-HG12 1.628 30.502 1.799 8608955 K27HG3-I22CG1-HG12 1.390 30.502 1.799 409423 K46HB2-CB-HB2 1.801 32.834 1.801 60616012 K46HA-CB-HB2 4.276 32.834 1.801 1765672 K46HG3-CB-HB2 1.358 32.834 1.801 944177 K46HG2-CB-HB2 1.428 32.834 1.801 1329590 K46HD2-CB-HB2 1.659 32.834 1.801 4312576 K46HB3-CB-HB2 1.730 32.834 1.801 60566004 K46HD3-CB-HB2 1.659 32.834 1.801 4312576 K46H-CB-HB2 8.216 32.850 1.802 526463 ?-?-? 0.797 27.951 1.825 426812 R34H-CG-HG2 8.413 27.894 1.826 1227504 R34HG3-CG-HG2 1.607 27.894 1.826 12214780 R34HG2-CG-HG2 1.826 27.894 1.826 40153044 R34HB3-CG-HG2 1.939 27.894 1.826 6999446 R34HB2-CG-HG2 1.961 27.894 1.826 9167005 R34HD2-CG-HG2 3.202 27.894 1.826 2702830 R34HD3-CG-HG2 3.147 27.894 1.826 2218588 ?-?-? 0.912 27.894 1.826 1351947 ?-?-? 0.687 27.967 1.826 339760 R34HA-CG-HG2 4.020 27.964 1.827 1511543 Q31HA-R34CG-HG2 4.085 27.894 1.827 737912 E48HB3-CB-HB3 1.840 30.428 1.840 74114824 E48HA-CB-HB3 4.211 30.428 1.840 2140990 E48HG3-CB-HB3 2.125 30.428 1.840 2315903 E48HG2-CB-HB3 2.186 30.428 1.840 1114122 E48HB2-CB-HB3 1.899 30.428 1.840 71612992 E48H-CB-HB3 8.366 30.428 1.840 477057 R9HG2-CG-HG2 1.841 26.130 1.841 19114762 R9HB3-CG-HG2 1.969 26.130 1.841 52250284 ?-?-? 0.917 26.130 1.843 4127709 R9HG3-CG-HG2 1.461 26.163 1.844 9663138 R9HB2-CG-HG2 2.244 26.123 1.844 2796690 R9HD2-CG-HG2 3.461 26.123 1.844 1338873 R9HE-CG-HG2 8.008 26.104 1.844 1833952 R9HD3-CG-HG2 2.990 26.123 1.845 1724734 ?-?-? 0.773 26.197 1.845 1209973 R9HA-CG-HG2 4.229 26.129 1.846 674576 R9H-CG-HG2 7.772 26.152 1.846 428748 R42HB2-CB-HB2 1.850 30.801 1.850 89250264 R42HA-CB-HB2 4.269 30.801 1.850 2124297 R42HG3-CB-HB2 1.589 30.801 1.850 4768179 R42HG2-CB-HB2 1.618 30.801 1.850 5468148 R42HB3-CB-HB2 1.763 30.801 1.850 25162920 R42HD2-CB-HB2 3.175 30.725 1.853 1673880 ?-?-? 3.021 27.095 1.863 374569 ?-?-? 3.237 27.095 1.865 519331 ?-?-? 7.025 27.047 1.866 851479 L38HB2-CB-HB2 1.868 42.020 1.868 38326172 L38HA-CB-HB2 4.081 42.037 1.868 4003028 L38HD2-CB-HB2 0.888 42.020 1.868 5293030 L38H-CG-HG 8.229 27.095 1.868 2624578 L38HB2-CG-HG 1.868 27.095 1.868 51504976 L38HB3-CG-HG 1.585 27.095 1.868 5015365 L38HD1-CG-HG 0.922 27.095 1.868 7503204 L38HD2-CG-HG 0.888 27.095 1.868 7456727 L38HA-CG-HG 4.072 27.095 1.868 1922860 L38HD1-CB-HB2 0.922 42.020 1.868 6064984 L38HB3-CB-HB2 1.588 42.033 1.868 21534744 L38H-CB-HB2 8.231 42.038 1.869 3293052 K39H-L38CB-HB2 7.791 42.018 1.869 1019867 K39HB2-CB-HB2 1.886 32.466 1.886 175057104 K39HG3-CB-HB2 1.454 32.466 1.886 5826026 K39HG2-CB-HB2 1.574 32.466 1.886 6196906 K39HD2-CB-HB2 1.689 32.466 1.886 7468818 K39H-CB-HB3 7.790 32.466 1.886 4993396 G40H-K39CB-HB3 7.885 32.466 1.886 640341 ?-?-? 2.961 32.550 1.893 975456 K39HA-CB-HB2 4.145 32.466 1.894 6213549 K16HB2-CB-HB2 1.896 32.727 1.896 172681152 K16H-CB-HB2 7.977 32.727 1.896 2056206 K16HA-CB-HB2 4.026 32.727 1.896 6024091 K16HG3-CB-HB2 1.320 32.727 1.896 2864580 K16HG2-CB-HB2 1.775 32.727 1.896 687785 K16HD2-CB-HB2 1.663 32.727 1.896 7363356 K16HB3-CB-HB2 1.514 32.727 1.896 12267407 K16HD3-CB-HB2 1.548 32.727 1.896 11180171 A17H-K16CB-HB2 8.527 32.727 1.896 980928 E48HB2-CB-HB2 1.899 30.428 1.899 61002072 E48H-CB-HB2 8.366 30.428 1.899 501449 E48HA-CB-HB2 4.211 30.428 1.899 1687631 E48HG3-CB-HB2 2.125 30.428 1.899 1788582 E48HG2-CB-HB2 2.186 30.428 1.899 1618182 E48HB3-CB-HB2 1.840 30.428 1.899 74038632 ?-?-? 2.412 32.556 1.899 1077073 ?-?-? 0.789 32.538 1.901 1406911 ?-?-? 2.847 32.559 1.902 884398 ?-?-? 0.852 32.622 1.902 2380949 K27HB3-CB-HB3 1.903 32.537 1.903 181957616 K27HA-CB-HB3 3.964 32.537 1.903 6686926 K27HG3-CB-HB3 1.397 32.537 1.903 3015097 K27HG2-CB-HB3 1.664 32.537 1.903 7593357 K27HB2-CB-HB3 1.951 32.537 1.903 62602220 K27HD2-CB-HB3 1.664 32.537 1.903 7593357 A28H-K27CB-HB3 7.648 32.537 1.903 1627848 ?-?-? 4.354 32.711 1.903 969267 L33H-CG-HG 8.617 27.026 1.904 2520487 L33HB2-CG-HG 1.918 27.026 1.904 28979460 L33HD1-CG-HG 0.922 27.026 1.904 7341242 L33HD2-CG-HG 0.964 27.026 1.904 6196526 L33HA-CG-HG 4.153 27.026 1.904 1356351 ?-?-? 8.460 31.286 1.904 2646943 I10HG2-CG1-HG12 0.794 31.233 1.905 1983357 I10HD1-CG1-HG12 0.682 31.233 1.905 4739388 I10HG12-CG1-HG12 1.905 31.233 1.905 38836200 I10HG13-CG1-HG12 0.917 31.233 1.905 13301552 ?-?-? 1.361 31.370 1.905 1467376 ?-?-? 2.036 31.370 1.905 2866124 ?-?-? 3.584 31.273 1.905 2703941 K27H-CB-HB3 8.658 32.604 1.906 2263727 E29HG2-L33CG-HG 2.384 26.994 1.908 629466 E29HB3-L33CG-HG 2.052 27.026 1.909 1127961 L33HB3-CG-HG 1.354 27.026 1.911 3604314 I2HB-CB-HB 1.918 39.193 1.918 56196840 L33HB2-CB-HB2 1.918 42.585 1.918 19848646 I2HA-CB-HB 4.350 39.193 1.918 3445232 L33HA-CB-HB2 4.153 42.585 1.918 2119430 I2HG2-CB-HB 0.975 39.193 1.918 5479934 I2HD1-CB-HB 0.866 39.193 1.918 3065392 L33HD2-CB-HB2 0.964 42.585 1.918 4248685 I2HG12-CB-HB 1.571 39.193 1.918 2548828 I2HG13-CB-HB 1.347 39.193 1.918 1541962 L33HD1-CB-HB2 0.922 42.585 1.918 5658599 L33HB3-CB-HB2 1.353 42.585 1.918 12988782 S3H-I2CB-HB 8.112 39.193 1.918 554550 ?-?-? 1.709 39.183 1.918 1300450 ?-?-? 4.355 32.398 1.919 855318 ?-?-? 0.685 42.576 1.919 1163726 L33H-CB-HB2 8.615 42.580 1.920 2803944 R34H-L33CB-HB2 8.413 42.591 1.920 1354543 ?-?-? 3.808 42.587 1.920 1543860 ?-?-? 4.163 39.105 1.920 477003 ?-?-? 0.787 42.585 1.922 600415 I7HB-CB-HB 1.928 37.623 1.928 42907424 I7HA-CB-HB 3.615 37.623 1.928 1730987 I7HG2-CB-HB 0.896 37.623 1.928 8354610 I7HD1-CB-HB 0.863 37.623 1.928 7195025 I7HG12-CB-HB 1.655 37.623 1.928 3030874 I7HG13-CB-HB 1.102 37.623 1.928 2076245 ?-?-? 1.476 37.663 1.929 757150 ?-?-? 2.823 32.554 1.929 709069 K18HB3-CB-HB3 1.930 32.400 1.930 179093936 I7H-CB-HB 7.882 37.633 1.930 4828480 K18HA-CB-HB3 4.053 32.400 1.930 7333401 K18HG3-CB-HB3 1.476 32.400 1.930 6576779 K18HG2-CB-HB3 1.557 32.400 1.930 8706221 K18HD3-CB-HB3 1.701 32.400 1.930 6449734 K18H-CB-HB3 8.125 32.400 1.930 7840539 K18HD2-CB-HB3 1.701 32.400 1.930 6449734 A19H-K18CB-HB3 7.659 32.400 1.930 3882758 A8H-I7CB-HB 8.060 37.629 1.930 3150458 ?-?-? 4.518 37.630 1.930 2897670 ?-?-? 4.172 37.746 1.930 480877 ?-?-? 2.843 37.703 1.930 923370 ?-?-? 2.969 32.430 1.932 922439 ?-?-? 4.182 32.425 1.933 3795829 Q31HA-R34CB-HB3 4.092 29.772 1.936 1868007 R34HB3-CB-HB3 1.939 29.772 1.939 54422452 R34HA-CB-HB3 4.009 29.772 1.939 2925412 R34HG3-CB-HB3 1.607 29.772 1.939 3019681 R34HG2-CB-HB3 1.826 29.772 1.939 7246890 L13HD2-CB-HB2 0.749 41.160 1.939 3398464 R34HD3-CB-HB3 3.147 29.772 1.939 1765773 L13HD1-CB-HB2 0.778 41.160 1.939 5005688 R34HB2-CB-HB3 1.961 29.772 1.939 65879996 R34H-CB-HB3 8.413 29.772 1.939 3054750 R34HD2-CB-HB3 3.202 29.772 1.939 1761488 Q35H-R34CB-HB3 7.850 29.772 1.939 1805353 L13HB2-CB-HB2 1.940 41.334 1.941 13233229 L13H-CB-HB2 8.665 41.192 1.941 2271226 L13HA-CB-HB2 3.953 41.175 1.941 1507381 ?-?-? 7.655 41.191 1.941 329905 ?-?-? 3.580 41.176 1.941 982042 ?-?-? 2.086 41.209 1.941 875497 ?-?-? 0.855 32.400 1.941 943448 L13HB3-CB-HB2 1.200 41.170 1.942 11664560 A14H-L13CB-HB2 8.328 41.158 1.942 1007530 ?-?-? 1.775 41.176 1.942 2685874 ?-?-? 1.539 41.322 1.942 535869 K18HB2-CB-HB2 1.943 32.400 1.943 168488320 K18H-CB-HB2 8.125 32.400 1.943 7107217 K18HA-CB-HB2 4.053 32.400 1.943 6527696 K18HG3-CB-HB2 1.476 32.400 1.943 5234184 K18HG2-CB-HB2 1.557 32.400 1.943 6759111 K18HD2-CB-HB2 1.701 32.400 1.943 6412084 K18HB3-CB-HB2 1.930 32.400 1.943 168488320 K18HD3-CB-HB2 1.701 32.400 1.943 6412084 A19H-K18CB-HB2 7.659 32.400 1.943 3627635 ?-?-? 2.368 41.215 1.943 822035 K27HB2-CB-HB2 1.951 32.537 1.951 116558256 K27H-CB-HB2 8.659 32.537 1.951 1839884 K27CA-CB-HB2 3.964 32.537 1.951 4469262 K27HG3-CB-HB2 1.397 32.537 1.951 2950902 K27HG2-CB-HB2 1.664 32.537 1.951 6584812 K27HD2-CB-HB2 1.664 32.537 1.951 6584812 K27HB3-CB-HB2 1.903 32.537 1.951 94615872 K27HD3-CB-HB2 1.664 32.537 1.951 6584812 A28H-K27CB-HB2 7.648 32.537 1.951 2472672 ?-?-? 2.832 32.641 1.960 631630 Q31HA-R34CB-HB2 4.093 29.772 1.960 4971994 R34HB2-CB-HB2 1.961 29.772 1.961 92972736 R34H-CB-HB2 8.413 29.772 1.961 4001559 R34HA-CB-HB2 4.009 29.772 1.961 3565241 R34HG3-CB-HB2 1.607 29.772 1.961 3329962 R34HG2-CB-HB2 1.826 29.772 1.961 10372775 R34HD2-CB-HB2 3.202 29.772 1.961 2104986 R34HB3-CB-HB2 1.939 29.772 1.961 72977952 R34HD3-CB-HB2 3.147 29.772 1.961 2105887 Q35H-R34CB-HB2 7.850 29.772 1.961 2474035 E26H-E25CB-HB3 7.837 29.131 1.965 2105296 E25HA-CB-HB3 4.115 29.131 1.966 5256126 E25H-CB-HB3 8.918 29.131 1.966 2329360 E25HB3-CB-HB3 1.973 29.131 1.967 71078632 E25HB2-CB-HB3 2.041 29.131 1.969 36474844 E25HG2-CB-HB3 2.414 29.131 1.969 3426526 R9HB3-CB-HB3 1.969 29.638 1.969 95416176 R9HA-CB-HB3 4.226 29.638 1.969 2102916 R9HG3-CB-HB3 1.460 29.638 1.969 2035379 R9HG2-CB-HB3 1.841 29.638 1.969 10134664 R9HD3-CB-HB3 2.994 29.638 1.969 1888128 R9HB2-CB-HB3 2.238 29.638 1.969 9214332 R9H-CB-HB3 7.769 29.638 1.969 2322273 R9HD2-CB-HB3 3.458 29.638 1.969 932844 I10H-R9CB-HB3 8.462 29.638 1.969 1711136 ?-?-? 0.926 29.696 1.969 1674195 ?-?-? 0.787 29.629 1.970 671884 M45HA-CB-HB3 4.418 32.856 1.972 1315810 M45HG2-CB-HB3 2.543 32.840 1.972 2281470 E25HG3-CB-HB3 2.318 29.131 1.973 3435779 M45HG3-CB-HB3 2.473 32.840 1.973 2364323 ?-?-? 2.492 32.296 1.973 3897551 M45HB3-CB-HB3 1.983 32.840 1.976 88732272 M45HB2-CB-HB3 2.045 32.840 1.978 71414680 ?-?-? 2.975 32.604 1.989 768250 K32HB3-CB-HB3 1.997 32.403 1.997 66099188 K32HA-CB-HB3 4.096 32.403 1.997 3784403 K32HG3-CB-HB3 1.440 32.403 1.997 2387805 K32HG2-CB-HB3 1.608 32.403 1.997 2358610 K32HD3-CB-HB3 1.694 32.403 1.997 13647517 K32HB2-CB-HB3 2.028 32.403 1.997 48633344 K32H-CB-HB3 7.739 32.403 1.997 2557223 L33H-K32CB-HB3 8.617 32.403 1.997 1213266 ?-?-? 0.871 32.704 1.999 1519476 ?-?-? 1.695 29.360 1.999 2897631 ?-?-? 0.963 32.658 2.000 1490962 K6H-CB-HB2 7.845 32.639 2.001 2558452 I7H-K6CB-HB2 7.887 32.639 2.001 2288743 K6HB2-CB-HB2 2.009 32.639 2.009 56366160 K6HA-CB-HB2 4.119 32.639 2.009 3745653 K6HG3-CB-HB2 1.388 32.639 2.009 2763678 K6HG2-CB-HB2 1.522 32.639 2.009 3020846 K6HD2-CB-HB2 1.731 32.639 2.009 13284642 K6HB3-CB-HB2 1.710 32.639 2.009 14060310 K6HD3-CB-HB2 1.678 32.639 2.009 9826231 E12H-CG-HG3 8.530 36.091 2.010 600392 E12HG2-CG-HG3 2.388 36.091 2.010 15237510 E12HG3-CG-HG3 2.010 36.091 2.010 44088688 E12HB2-CG-HG3 2.264 36.091 2.010 3607077 E12HB3-CG-HG3 2.185 36.091 2.010 6026751 L13H-E12CG-HG3 8.669 36.091 2.010 340561 ?-?-? 4.226 35.956 2.013 389476 ?-?-? 2.859 35.967 2.014 624423 ?-?-? 1.783 35.940 2.014 877054 E12HA-CG-HG3 4.118 35.910 2.015 1573188 ?-?-? 2.931 36.091 2.015 514329 ?-?-? 1.548 35.951 2.015 1018894 ?-?-? 3.971 32.467 2.023 1816466 K32HB2-CB-HB2 2.028 32.403 2.028 48636844 K32H-CB-HB2 7.739 32.403 2.028 3682468 K32HA-CB-HB2 4.096 32.403 2.028 4069780 K32HG3-CB-HB2 1.440 32.403 2.028 2295834 K32HG2-CB-HB2 1.608 32.403 2.028 2469532 K32HD2-CB-HB2 1.694 32.403 2.028 6494528 K32HB3-CB-HB2 1.997 32.403 2.028 59641016 K32HD3-CB-HB2 1.694 32.403 2.028 6494528 L33H-K32CB-HB2 8.617 32.403 2.028 1458898 E25HB2-CB-HB2 2.040 29.131 2.040 55903680 E25H-CB-HB2 8.917 29.131 2.040 2697993 E25HG3-CB-HB2 2.318 29.131 2.040 5369666 E25HG2-CB-HB2 2.414 29.131 2.040 7607430 E25HB3-CB-HB2 1.973 29.131 2.040 23897326 E26H-E25CB-HB2 7.837 29.131 2.040 624398 I10HB-CB-HB 2.041 37.872 2.041 31339396 I10H-CB-HB 8.462 37.872 2.041 4572853 I10HA-CB-HB 3.576 37.872 2.041 3508282 I10HG2-CB-HB 0.794 37.872 2.041 5916924 I10HD1-CB-HB 0.682 37.872 2.041 3551986 I10HG12-CB-HB 1.905 37.872 2.041 3239465 I10HG13-CB-HB 0.917 37.872 2.041 2462144 E29HA-CG-HG3 3.971 35.082 2.041 2469456 E29H-CG-HG3 7.915 35.082 2.041 1389741 E29HG2-CG-HG3 2.385 35.082 2.041 13653287 E29HB2-CG-HG3 2.258 35.082 2.041 6382188 E29HB3-CG-HG3 2.047 35.082 2.041 30502226 N11H-I10CB-HB 8.161 37.872 2.041 2561068 Q30H-E29CG-HG3 8.891 35.082 2.041 561685 ?-?-? 0.778 35.148 2.041 1541546 ?-?-? 3.616 37.872 2.042 4223694 L33HG-E29CG-HG3 1.904 35.081 2.043 1087516 ?-?-? 0.929 35.061 2.045 2006921 E29HB3-CB-HB3 2.047 29.467 2.047 71629672 E29HA-CB-HB3 3.971 29.467 2.047 5741402 E29HG3-CB-HB3 2.041 29.467 2.047 71629672 E29HG2-CB-HB3 2.385 29.467 2.047 12896200 E29HB2-CB-HB3 2.258 29.467 2.047 10205506 E29H-CB-HB3 7.915 29.467 2.047 2965635 Q30H-E29CB-HB3 8.891 29.467 2.047 3278335 ?-?-? 0.776 29.362 2.050 1519615 E25HA-CB-HB2 4.112 29.131 2.050 3968861 M45HB2-CB-HB2 2.045 32.840 2.051 52442168 M45HG3-CB-HB2 2.476 32.840 2.051 1635580 M45HG2-CB-HB2 2.538 32.840 2.051 1587169 M45HB3-CB-HB2 1.977 32.840 2.051 47570424 ?-?-? 0.928 29.445 2.052 1217812 M45HA-CB-HB2 4.420 32.860 2.054 1224041 ?-?-? 1.538 29.372 2.058 1026487 ?-?-? 1.687 29.424 2.058 1681940 ?-?-? 1.340 29.367 2.060 486712 ?-?-? 0.755 37.538 2.064 3887671 ?-?-? 1.321 37.558 2.067 392491 E24HB3-CB-HB3 2.069 29.095 2.069 89994184 E24HA-CB-HB3 3.965 29.095 2.069 5190993 E24HG3-CB-HB3 2.402 29.095 2.069 12843630 E24HG2-CB-HB3 2.421 29.095 2.069 11837848 E26HA-CG-HG3 4.081 37.546 2.069 2206754 E26H-CG-HG3 7.839 37.580 2.069 1076234 E24HB2-CB-HB3 2.100 29.095 2.069 65431160 E24H-CB-HB3 9.011 29.095 2.069 1812754 E25H-E24CB-HB3 8.917 29.095 2.069 3637166 E26HB3-CG-HG3 1.749 37.550 2.070 2247390 ?-?-? 9.101 37.593 2.071 316748 E26HG2-CG-HG3 2.354 37.538 2.073 11650979 E26HG3-CG-HG3 2.073 37.538 2.073 21142910 E26HB2-CG-HG3 2.460 37.538 2.073 1630901 ?-?-? 1.696 29.589 2.087 1551589 ?-?-? 4.151 29.669 2.091 1682946 Q30HB3-CB-HB3 2.092 29.404 2.092 93372560 Q30HA-CB-HB3 3.805 29.404 2.092 2658421 Q30HG3-CB-HB3 2.185 29.404 2.092 27793388 Q30HG2-CB-HB3 2.358 29.404 2.092 13809970 Q30HB2-CB-HB3 2.398 29.404 2.092 17852518 Q30H-CB-HB3 8.891 29.404 2.092 3689236 E36H-CB-HB3 7.933 29.750 2.092 2290354 Q31H-Q30CB-HB3 7.874 29.404 2.092 1470168 M1HB2-CB-HB2 2.093 33.405 2.093 242033344 M1HA-CB-HB3 4.052 33.405 2.093 2564038 M1HG3-CB-HB3 2.644 33.405 2.093 5696754 ?-?-? 0.962 29.759 2.095 1337552 ?-?-? 0.786 29.385 2.095 3283947 ?-?-? 1.558 29.362 2.095 730285 ?-?-? 1.200 29.398 2.097 1015238 ?-?-? 1.683 29.362 2.098 1511815 ?-?-? 1.364 29.512 2.099 536722 E24HB2-CB-HB2 2.100 29.095 2.100 64199164 E36HB3-CB-HB3 2.100 29.750 2.100 63631404 E24H-CB-HB2 9.011 29.095 2.100 2423029 E24HA-CB-HB2 3.965 29.095 2.100 4795302 E36HA-CB-HB3 4.015 29.750 2.100 3993291 E24HG3-CB-HB2 2.402 29.095 2.100 15657990 E36HG3-CB-HB3 2.182 29.750 2.100 29979354 E24HG2-CB-HB2 2.421 29.095 2.100 14477024 E36HG2-CB-HB3 2.449 29.750 2.100 9029604 E24HB3-CB-HB2 2.069 29.095 2.100 71237080 E36HB2-CB-HB3 2.172 29.750 2.100 33400502 Y37H-E36CB-HB3 8.582 29.750 2.100 643020 E25H-E24CB-HB2 8.917 29.095 2.100 2935959 E48HA-CG-HG3 4.211 36.149 2.125 493072 E48HG2-CG-HG3 2.186 36.149 2.125 103465872 E48HG3-CG-HG3 2.125 36.149 2.125 69856104 E48HB2-CG-HG3 1.899 36.149 2.125 1702604 E48HB3-CG-HG3 1.840 36.149 2.125 1094904 E36HB2-CB-HB2 2.172 29.750 2.172 27143698 E36HG3-CB-HB2 2.182 29.750 2.172 30960008 E36HG2-CB-HB2 2.449 29.750 2.172 2745484 E36HB3-CB-HB2 2.100 29.750 2.172 14062628 Y37H-E36CB-HB2 8.574 29.750 2.175 1773926 E36H-CB-HB2 7.935 29.725 2.179 2240260 ?-?-? 1.684 36.429 2.181 641360 ?-?-? 1.683 36.226 2.181 628709 E36HA-CG-HG3 4.015 36.473 2.182 2652379 E36HG2-CG-HG3 2.449 36.473 2.182 17396166 E36HG3-CG-HG3 2.182 36.473 2.182 127360344 E36HB2-CG-HG3 2.172 36.473 2.182 132953608 E36HB3-CG-HG3 2.100 36.473 2.182 72297760 ?-?-? 4.156 36.473 2.182 1145532 E36H-CG-HG3 7.936 36.486 2.183 1589114 ?-?-? 0.867 36.222 2.184 674972 E12HB3-CB-HB3 2.185 30.026 2.185 57284240 E12HA-CB-HB3 4.111 30.026 2.185 3282085 E12HG3-CB-HB3 2.010 30.026 2.185 5599362 E12HG2-CB-HB3 2.388 30.026 2.185 7325204 Q30HA-CG-HG3 3.805 33.681 2.185 1518488 Q30HG2-CG-HG3 2.358 33.681 2.185 16222539 Q30HG3-CG-HG3 2.185 33.681 2.185 31083416 Q30HB2-CG-HG3 2.398 33.681 2.185 13402304 Q30HB3-CG-HG3 2.092 33.681 2.185 3872518 E12HB2-CB-HB3 2.264 30.026 2.185 19086468 Q30HE22-CG-HG3 6.157 33.681 2.185 554325 E12H-CB-HB3 8.530 30.026 2.185 3195227 L13H-E12CB-HB3 8.669 30.026 2.185 1103493 Y37H-E36CG-HG3 8.577 36.408 2.185 377246 ?-?-? 0.968 36.509 2.185 847428 R9HA-E12CB-HB3 4.232 30.014 2.185 2022141 E48HA-CG-HG2 4.211 36.149 2.186 957047 E48HG3-CG-HG2 2.125 36.149 2.186 133358584 E48HG2-CG-HG2 2.186 36.149 2.186 117481144 E48HB3-CG-HG2 1.840 36.149 2.186 989297 E48HB2-CG-HG2 1.899 36.149 2.186 2876166 ?-?-? 0.770 30.026 2.186 675151 E36HA-CB-HB2 4.015 29.805 2.187 3208859 Q30H-CG-HG3 8.890 33.716 2.187 758801 ?-?-? 1.589 36.341 2.187 555029 ?-?-? 3.190 33.675 2.187 499932 ?-?-? 1.590 33.659 2.187 318614 ?-?-? 0.963 29.842 2.187 1245793 ?-?-? 0.875 29.848 2.187 814481 Q30HE21-CG-HG3 7.658 33.673 2.188 1197995 ?-?-? 3.970 33.687 2.188 637224 ?-?-? 1.951 33.485 2.188 1185330 ?-?-? 1.844 33.486 2.188 617837 ?-?-? 1.201 33.693 2.188 489400 ?-?-? 0.919 33.691 2.188 332090 ?-?-? 0.776 29.818 2.188 737943 ?-?-? 0.788 33.680 2.189 1487767 ?-?-? 3.461 30.103 2.189 630000 Q35HB3-CB-HB3 2.190 28.331 2.190 94178672 Q35HA-CB-HB3 4.085 28.331 2.190 8062148 Q35HG3-CB-HB3 2.488 28.331 2.190 7688588 Q35HG2-CB-HB3 2.574 28.331 2.190 2422490 Q35HB2-CB-HB3 2.279 28.331 2.190 29196496 Q35H-CB-HB3 7.850 28.331 2.190 5931807 E36H-Q35CB-HB3 7.939 28.331 2.190 2232436 Q31H-Q30CG-HG3 7.874 33.698 2.190 601710 ?-?-? 4.089 33.734 2.190 544530 Q31HB3-CB-HB3 2.192 28.283 2.192 93115400 Q31HA-CB-HB3 4.085 28.283 2.192 7952769 Q31HG3-CB-HB3 2.484 28.283 2.192 7587412 Q31HG2-CB-HB3 2.511 28.283 2.192 5721743 Q31HB2-CB-HB3 2.216 28.283 2.192 100549808 Q31H-CB-HB3 7.874 28.283 2.192 6302302 K32H-Q31CB-HB3 7.739 28.283 2.192 1438400 ?-?-? 2.996 29.931 2.192 801824 ?-?-? 4.223 28.309 2.210 2584043 Q31HB2-CB-HB2 2.216 28.283 2.216 131319536 Q31H-CB-HB2 7.874 28.283 2.216 7020893 Q31HA-CB-HB2 4.085 28.283 2.216 7452890 Q31HG3-CB-HB2 2.484 28.283 2.216 7753290 Q31HG2-CB-HB2 2.511 28.283 2.216 5955168 Q31HB3-CB-HB2 2.192 28.283 2.216 117434600 K32H-Q31CB-HB2 7.739 28.283 2.216 2556773 I10H-R9CB-HB2 8.462 29.638 2.238 1070234 R9H-CB-HB2 7.771 29.620 2.244 2339490 R9HG3-CB-HB2 1.463 29.643 2.246 2382965 R9HG2-CB-HB2 1.844 29.615 2.247 2633638 R9HB2-CB-HB2 2.244 29.638 2.248 23701052 R9HB3-CB-HB2 1.975 29.638 2.249 12152847 ?-?-? 0.930 29.605 2.249 1728943 R9HA-CB-HB2 4.229 29.638 2.252 2067985 R9HD3-CB-HB2 2.994 29.638 2.252 1065407 R9HD2-CB-HB2 3.461 29.638 2.253 793994 E29HB2-CB-HB2 2.258 29.467 2.258 27896408 E29H-CB-HB2 7.915 29.467 2.258 2047528 E29HG3-CB-HB2 2.041 29.467 2.258 13309544 E29HG2-CB-HB2 2.385 29.467 2.258 5869800 E29HB3-CB-HB2 2.047 29.467 2.258 13309544 Q30H-E29CB-HB2 8.891 29.467 2.258 1113130 ?-?-? 2.982 30.026 2.261 876569 ?-?-? 3.462 30.026 2.263 798602 R9HA-E12CB-HB2 4.231 30.014 2.263 2157220 E12HB2-CB-HB2 2.264 30.026 2.264 31003396 E12H-CB-HB2 8.530 30.026 2.264 2516252 E12HA-CB-HB2 4.111 30.026 2.264 3719344 E12HG3-CB-HB2 2.010 30.026 2.264 12584247 E12HG2-CB-HB2 2.388 30.026 2.264 8177306 E12HB3-CB-HB2 2.185 30.026 2.264 20431398 L13H-E12CB-HB2 8.669 30.026 2.264 1187157 ?-?-? 0.773 29.602 2.264 1580696 ?-?-? 4.099 29.522 2.264 4006733 E29HA-CB-HB2 3.970 29.467 2.265 1673814 Q35HB2-CB-HB2 2.279 28.331 2.279 30438764 Q35H-CB-HB2 7.850 28.331 2.279 3020691 Q35HA-CB-HB2 4.085 28.331 2.279 4289359 Q35HG3-CB-HB2 2.488 28.331 2.279 3698705 Q35HG2-CB-HB2 2.574 28.331 2.279 1864969 Q35HB3-CB-HB2 2.190 28.331 2.279 28417614 E36H-Q35CB-HB2 7.939 28.331 2.279 1526115 E25HG2-CG-HG3 2.414 36.837 2.318 62027676 E25HG3-CG-HG3 2.318 36.837 2.318 58793848 E25HB2-CG-HG3 2.040 36.837 2.318 2732081 E25HB3-CG-HG3 1.973 36.837 2.318 2755522 E25H-CG-HG3 8.914 36.880 2.322 701418 E25HA-CG-HG3 4.113 36.980 2.324 1989758 ?-?-? 1.541 36.945 2.327 485197 E26HA-CG-HG2 4.083 37.511 2.350 2034554 E26HG3-CG-HG2 2.073 37.538 2.354 11817374 E26HG2-CG-HG2 2.354 37.538 2.354 16853828 E26HB3-CG-HG2 1.749 37.547 2.354 1776984 E26HB2-CG-HG2 2.460 37.538 2.354 774193 ?-?-? 1.323 37.523 2.354 505153 ?-?-? 0.758 37.538 2.354 1365649 E26H-CG-HG2 7.838 37.545 2.355 1582142 Q30H-CG-HG2 8.891 33.710 2.356 855234 Q30HE21-CG-HG2 7.657 33.699 2.356 1400300 Q31H-Q30CG-HG2 7.877 33.711 2.356 580115 ?-?-? 3.192 33.687 2.356 335332 ?-?-? 1.823 33.671 2.356 514312 ?-?-? 3.970 33.681 2.357 874945 ?-?-? 0.789 33.709 2.357 1636568 ?-?-? 9.099 37.564 2.357 393337 Q30HA-CG-HG2 3.805 33.681 2.358 1812116 Q30HG3-CG-HG2 2.185 33.681 2.358 12852611 Q30HG2-CG-HG2 2.358 33.681 2.358 27396790 Q30HB3-CG-HG2 2.092 33.681 2.358 4620514 Q30HB2-CG-HG2 2.398 33.681 2.358 21511250 Q30HE22-CG-HG2 6.157 33.681 2.358 657762 ?-?-? 1.942 33.553 2.358 1032841 ?-?-? 1.581 33.693 2.358 363558 ?-?-? 1.202 33.711 2.358 621899 ?-?-? 0.912 33.681 2.358 406821 E12HA-CG-HG2 4.121 36.091 2.383 2479608 L13H-E12CG-HG2 8.666 36.002 2.383 401693 ?-?-? 2.922 36.091 2.384 454827 ?-?-? 0.929 35.119 2.384 1423352 L33HG-E29CG-HG2 1.916 35.051 2.384 851192 E29HA-CG-HG2 3.971 35.082 2.385 2712793 E29H-CG-HG2 7.915 35.082 2.385 861546 E29HG2-CG-HG2 2.385 35.082 2.385 40980204 E29HB3-CG-HG2 2.047 35.082 2.385 21983204 E29HB2-CG-HG2 2.258 35.082 2.385 7500089 Q30H-E29CG-HG2 8.891 35.082 2.385 354169 ?-?-? 4.233 35.960 2.385 551531 ?-?-? 0.773 35.285 2.385 1081997 E12H-CG-HG2 8.527 35.971 2.386 810771 ?-?-? 2.863 36.091 2.386 490744 ?-?-? 1.778 36.006 2.386 651475 E12HG3-CG-HG2 2.010 36.091 2.388 20744112 E12HG2-CG-HG2 2.388 36.091 2.388 137905472 E12HB3-CG-HG2 2.185 36.091 2.388 6410652 E12HB2-CG-HG2 2.264 36.091 2.388 6490219 ?-?-? 2.858 35.875 2.389 543034 ?-?-? 1.544 35.935 2.389 950420 ?-?-? 1.545 36.101 2.390 944209 ?-?-? 1.320 36.408 2.392 418872 ?-?-? 4.094 29.482 2.392 594528 ?-?-? 1.658 36.389 2.395 533411 Q30HB2-CB-HB2 2.398 29.404 2.398 16325676 Q30H-CB-HB2 8.891 29.404 2.398 2074789 Q30HA-CB-HB2 3.805 29.404 2.398 1610797 Q30HG3-CB-HB2 2.185 29.404 2.398 5071554 Q30HG2-CB-HB2 2.358 29.404 2.398 13769034 Q30HB3-CB-HB2 2.092 29.404 2.398 10711514 Q31H-Q30CB-HB2 7.874 29.404 2.398 1574192 ?-?-? 3.970 29.363 2.399 2092846 ?-?-? 0.788 29.389 2.401 1699483 E24HA-CG-HG3 3.965 36.489 2.402 1250938 E24H-CG-HG3 9.011 36.489 2.402 1280083 E24HG2-CG-HG3 2.421 36.489 2.402 152840256 E24HG3-CG-HG3 2.402 36.489 2.402 148972768 E24HB2-CG-HG3 2.100 36.489 2.402 4968875 E24HB3-CG-HG3 2.069 36.489 2.402 8571194 E25H-E24CG-HG3 8.917 36.489 2.402 663055 ?-?-? 1.201 29.364 2.402 459425 ?-?-? 7.658 29.353 2.403 534222 E25HA-CG-HG2 4.117 36.837 2.409 2233576 E25H-CG-HG2 8.919 36.783 2.414 958592 E25HG3-CG-HG2 2.318 36.837 2.414 65140608 E25HG2-CG-HG2 2.414 36.837 2.414 132688024 E25HB3-CG-HG2 1.973 36.837 2.414 3050903 E25HB2-CG-HG2 2.040 36.837 2.414 4473760 ?-?-? 1.544 36.837 2.414 611004 E24HA-CG-HG2 3.965 36.489 2.421 1721127 E24H-CG-HG2 9.011 36.489 2.421 2025304 E24HG3-CG-HG2 2.402 36.489 2.421 146493488 E24HG2-CG-HG2 2.421 36.489 2.421 150724272 E24HB3-CG-HG2 2.069 36.489 2.421 6786143 E24HB2-CG-HG2 2.100 36.489 2.421 6526310 E25H-E24CG-HG2 8.917 36.489 2.421 598015 ?-?-? 1.343 36.428 2.422 319981 V21HB-CB-HB 2.424 32.525 2.424 73362992 V21H-CB-HB 7.678 32.525 2.424 900884 ?-?-? 1.542 32.520 2.426 778769 V21HA-CB-HB 4.614 32.526 2.426 6289703 V21HG2-CB-HB 0.861 32.525 2.426 16069459 I22H-V21CB-HB 6.842 32.506 2.429 378133 ?-?-? 1.653 36.403 2.438 631560 ?-?-? 4.153 36.473 2.446 830978 ?-?-? 1.434 36.510 2.448 533131 E36HA-CG-HG2 4.015 36.473 2.449 1891678 E36HG3-CG-HG2 2.182 36.473 2.449 20236188 E36HG2-CG-HG2 2.449 36.473 2.449 103816456 E36HB3-CG-HG2 2.100 36.473 2.449 6486166 E36HB2-CG-HG2 2.172 36.473 2.449 18252408 ?-?-? 0.967 36.475 2.450 679299 E36H-CG-HG2 7.937 36.487 2.451 1586134 ?-?-? 0.873 36.462 2.452 389643 E26HB2-CB-HB2 2.460 30.606 2.460 7133097 E26H-CB-HB2 7.837 30.606 2.460 1655065 E26HA-CB-HB2 4.074 30.606 2.460 880373 E26HG3-CB-HB2 2.073 30.606 2.460 1807658 E26HG2-CB-HB2 2.354 30.606 2.460 1415351 E26HB3-CB-HB2 1.755 30.606 2.460 7200400 K27H-E26CB-HB2 8.659 30.606 2.460 791753 ?-?-? 4.352 30.540 2.461 671842 ?-?-? 1.313 30.537 2.461 643587 ?-?-? 0.776 30.534 2.461 1691686 ?-?-? 9.101 30.538 2.462 2384514 ?-?-? 1.636 30.497 2.462 1904389 M45HA-CG-HG3 4.417 32.014 2.473 469451 M45HG2-CG-HG3 2.542 32.014 2.473 43692760 M45HG3-CG-HG3 2.473 32.014 2.473 39634600 M45HB2-CG-HG3 2.045 32.014 2.473 1451963 M45HB3-CG-HG3 1.995 32.014 2.473 1420553 Q35HE21-CG-HG3 7.487 33.913 2.483 378236 Q31HA-CG-HG3 4.085 33.406 2.484 2111507 Q31H-CG-HG3 7.874 33.406 2.484 1505579 Q31HG2-CG-HG3 2.511 33.406 2.484 134219072 Q31HG3-CG-HG3 2.484 33.406 2.484 127429416 Q31HB2-CG-HG3 2.216 33.406 2.484 5982938 Q31HB3-CG-HG3 2.192 33.406 2.484 5088602 Q35H-CG-HG3 7.850 34.090 2.488 2000109 Q35HG2-CG-HG3 2.574 34.090 2.488 72912408 Q35HG3-CG-HG3 2.488 34.090 2.488 133140200 Q35HB2-CG-HG3 2.279 34.090 2.488 4426684 Q35HB3-CG-HG3 2.190 34.090 2.488 5758312 ?-?-? 1.678 33.767 2.488 581036 Q35HA-CG-HG3 4.091 33.904 2.490 3094848 ?-?-? 1.580 33.842 2.491 507563 ?-?-? 0.915 33.938 2.491 494991 Q31HA-CG-HG2 4.085 33.406 2.511 1848148 Q31H-CG-HG2 7.874 33.406 2.511 1261516 Q31HG3-CG-HG2 2.484 33.406 2.511 130835848 Q31HG2-CG-HG2 2.511 33.406 2.511 100255824 Q31HB3-CG-HG2 2.192 33.406 2.511 4865020 Q31HB2-CG-HG2 2.216 33.406 2.511 6024126 M45HA-CG-HG2 4.417 32.014 2.542 595363 M45HG3-CG-HG2 2.473 32.014 2.542 54274960 M45HG2-CG-HG2 2.542 32.014 2.542 52308956 M45HB3-CG-HG2 1.995 32.014 2.542 2182884 M45HB2-CG-HG2 2.045 32.014 2.542 2207064 Q35H-CG-HG2 7.850 34.090 2.574 1497540 Q35HG3-CG-HG2 2.488 34.090 2.574 55721980 Q35HG2-CG-HG2 2.574 34.090 2.574 59253200 Q35HB3-CG-HG2 2.190 34.090 2.574 3141454 Q35HB2-CG-HG2 2.279 34.090 2.574 4641899 Q35HA-CG-HG2 4.091 34.102 2.577 2133466 ?-?-? 0.924 34.127 2.580 334378 M1HA-CG-HG2 4.052 31.122 2.644 662485 M1HG2-CG-HG2 2.644 31.122 2.644 297578368 M1HB2-CG-HG2 2.093 31.122 2.644 5352227 K27HE2-CE-HE3 2.876 42.002 2.800 65466292 K27HE3-CE-HE3 2.800 42.002 2.800 67751320 K27HG2-CE-HE3 1.664 42.002 2.800 3971095 K27HG3-CE-HE3 1.397 42.002 2.800 1152172 K27HD2-CE-HE3 1.664 42.002 2.800 3971095 K27HD3-CE-HE3 1.664 42.002 2.800 3971095 ?-?-? 3.971 42.010 2.802 785078 ?-?-? 1.927 42.032 2.802 956061 ?-?-? 0.868 42.007 2.803 2027746 N11HA-CB-HB3 4.496 37.642 2.804 3166452 N11HD21-CB-HB3 7.555 37.623 2.804 1939572 N11HD22-CB-HB3 6.875 37.651 2.804 865859 N11H-CB-HB3 8.164 37.631 2.804 2360278 E12H-N11CB-HB3 8.526 37.627 2.804 1304912 ?-?-? 4.165 37.644 2.805 1582159 ?-?-? 1.512 37.651 2.808 625812 N11HB3-CB-HB3 2.811 37.642 2.811 43100420 N11HB2-CB-HB3 2.900 37.642 2.811 27071978 ?-?-? 0.888 37.642 2.812 464650 ?-?-? 1.932 37.996 2.843 943252 N4HB2-CB-HB2 2.844 37.989 2.844 162643728 N4HA-CB-HB2 4.517 37.984 2.844 5797452 ?-?-? 4.202 38.005 2.844 721022 N4HD21-CB-HB3 7.723 37.983 2.845 1018636 ?-?-? 1.457 38.011 2.845 928819 ?-?-? 0.880 38.006 2.845 897160 N4HD22-CB-HB2 6.995 38.036 2.847 505133 ?-?-? 0.851 42.002 2.850 1157294 K16HG2-CE-HE3 1.772 42.030 2.853 1811982 K16HG3-CE-HE3 1.328 42.041 2.854 1734208 ?-?-? 0.758 42.022 2.854 1041525 ?-?-? 2.006 42.042 2.855 1192889 ?-?-? 2.387 42.046 2.856 783056 K16HE2-CE-HE3 2.936 42.030 2.859 66085652 K16HE3-CE-HE3 2.859 42.030 2.859 122503096 K16HD2-CE-HE3 1.663 42.030 2.859 2847501 K16HD3-CE-HE3 1.548 42.030 2.859 2391090 ?-?-? 1.921 42.010 2.867 1138849 ?-?-? 0.867 42.019 2.867 2577856 ?-?-? 3.972 42.008 2.870 887586 K27HE2-CE-HE2 2.876 42.002 2.876 94062184 K27HE3-CE-HE2 2.800 42.002 2.876 68205792 K27HG2-CE-HE2 1.664 42.002 2.876 3799477 K27HG3-CE-HE2 1.397 42.002 2.876 1259447 K27HD2-CE-HE2 1.664 42.002 2.876 3799477 K27HD3-CE-HE2 1.664 42.002 2.876 3799477 F41HB3-CB-HB3 2.895 39.455 2.895 49704768 F41HA-CB-HB3 4.451 39.429 2.895 2918541 F41HB2-CB-HB3 3.049 39.435 2.895 25702870 F41H-CB-HB3 7.860 39.447 2.895 1353985 F41HD2-CB-HB3 7.163 39.446 2.895 2198005 ?-?-? 1.590 39.337 2.895 360833 ?-?-? 4.074 39.411 2.896 828113 ?-?-? 1.890 39.297 2.896 326882 ?-?-? 0.888 39.460 2.896 528066 N11HB2-CB-HB2 2.900 37.642 2.900 21159248 N11HB3-CB-HB2 2.811 37.642 2.900 25282244 N11HA-CB-HB2 4.493 37.646 2.901 2439734 E12H-N11CB-HB2 8.525 37.627 2.901 1245952 N11H-CB-HB2 8.164 37.633 2.902 2337447 N11HD21-CB-HB2 7.555 37.630 2.902 1821066 ?-?-? 4.165 37.632 2.902 1494380 N11HD22-CB-HB2 6.875 37.671 2.903 768696 ?-?-? 0.891 37.591 2.903 380589 ?-?-? 1.519 37.714 2.906 525704 K16HE2-CE-HE2 2.936 42.030 2.936 99115224 K16HE3-CE-HE2 2.859 42.030 2.936 45192976 K16HG2-CE-HE2 1.775 42.030 2.936 1802846 K16HG3-CE-HE2 1.320 42.030 2.936 1912799 K16HD2-CE-HE2 1.663 42.030 2.936 1495472 K16HD3-CE-HE2 1.548 42.030 2.936 2650273 ?-?-? 2.380 42.078 2.943 770240 ?-?-? 2.007 42.101 2.947 1409592 ?-?-? 0.868 42.165 2.947 1443990 K6HE2-CE-HE3 2.983 42.192 2.959 1098885120 K6HE3-CE-HE3 2.959 42.192 2.959 835007040 K6HG2-CE-HE3 1.522 42.192 2.959 5176084 K6HG3-CE-HE3 1.388 42.192 2.959 2099576 K6HD2-CE-HE3 1.731 42.192 2.959 8038678 K6HD3-CE-HE3 1.678 42.192 2.959 11787605 ?-?-? 2.317 42.090 2.970 1072853 ?-?-? 4.021 42.304 2.974 2316605 ?-?-? 4.389 42.315 2.974 1191514 ?-?-? 4.390 42.099 2.974 1088945 K39HE2-CE-HE2 2.975 42.174 2.975 1885869824 K46HE2-CE-HE2 2.975 42.169 2.975 1885869824 K39HG2-CE-HE2 1.574 42.174 2.975 5078439 K46HG2-CE-HE2 1.428 42.169 2.975 5086738 K39HG3-CE-HE2 1.454 42.174 2.975 6089201 K46HG3-CE-HE2 1.358 42.169 2.975 2207961 K46HG2-CE-HE3 1.428 42.169 2.975 5086738 K46HG3-CE-HE3 1.358 42.169 2.975 2207961 K39HD2-CE-HE2 1.689 42.174 2.975 20850946 K46HD2-CE-HE2 1.659 42.169 2.975 13793295 ?-?-? 3.862 42.313 2.975 1662009 ?-?-? 3.862 42.104 2.975 1527034 ?-?-? 1.925 42.340 2.976 3785192 ?-?-? 2.385 42.328 2.976 1587743 ?-?-? 2.385 42.078 2.976 1454906 K18HE2-CE-HE2 2.979 42.185 2.979 1885869824 K18HG2-CE-HE2 1.557 42.185 2.979 6552141 K32HG2-CE-HE2 1.608 42.185 2.979 4088883 K18HG3-CE-HE2 1.476 42.185 2.979 6445048 K32HG3-CE-HE2 1.440 42.185 2.979 6089201 K18HG2-CE-HE3 1.557 42.185 2.979 6552141 K32HG2-CE-HE3 1.608 42.185 2.979 4088883 K18HG3-CE-HE3 1.476 42.185 2.979 6445048 K32HG3-CE-HE3 1.440 42.185 2.979 6089201 K18HD2-CE-HE2 1.701 42.185 2.979 20979054 ?-?-? 1.990 42.192 2.979 3067183 ?-?-? 2.161 42.231 2.981 2367159 ?-?-? 4.198 42.376 2.982 2309162 ?-?-? 3.823 42.221 2.982 1436986 K6HE2-CE-HE2 2.983 42.192 2.983 1751877760 K6HE3-CE-HE2 2.959 42.192 2.983 1256224000 K6HG2-CE-HE2 1.522 42.192 2.983 6729842 K6HG3-CE-HE2 1.388 42.192 2.983 5624995 K6HD2-CE-HE2 1.731 42.192 2.983 14774763 K6HD3-CE-HE2 1.678 42.192 2.983 19277700 ?-?-? 0.964 42.563 2.983 3049116 ?-?-? 0.965 42.231 2.983 3232647 K39HE2-CE-HE3 2.975 42.174 2.984 1751877760 K39HG2-CE-HE3 1.574 42.174 2.984 6237280 K39HG3-CE-HE3 1.454 42.174 2.984 6106614 K39HD2-CE-HE3 1.689 42.174 2.984 19277700 ?-?-? 0.778 42.621 2.985 1950728 ?-?-? 4.226 42.954 2.988 3150938 R9HD2-CD-HD3 3.461 43.165 2.990 10971266 ?-?-? 8.015 43.364 2.991 1117728 ?-?-? 0.776 43.119 2.993 1027772 R9HD3-CD-HD3 2.994 43.191 2.994 171834960 R9HB3-CD-HD3 1.969 43.191 2.994 2959574 R9HB2-CD-HD3 2.238 43.191 2.994 1947633 R9HG3-CD-HD3 1.460 43.191 2.994 2932898 R9HG2-CD-HD3 1.841 43.191 2.994 2555474 ?-?-? 6.806 43.286 2.996 651033 Y37HB3-CB-HB3 3.027 38.709 3.027 32350566 Y37HB2-CB-HB3 3.252 38.709 3.027 15446758 Y37HA-CB-HB3 4.169 38.689 3.029 4114199 Y37HD2-CB-HB3 7.026 38.689 3.029 2625166 ?-?-? 4.020 38.719 3.029 1832003 Y37H-CB-HB3 8.575 38.682 3.030 3032389 L38H-Y37CB-HB3 8.231 38.691 3.030 1153194 ?-?-? 0.683 38.687 3.030 2264318 ?-?-? 1.940 38.709 3.031 557069 ?-?-? 0.872 38.735 3.031 1869084 ?-?-? 0.935 38.709 3.032 673187 ?-?-? 1.889 38.868 3.033 657622 ?-?-? 0.888 39.408 3.044 951032 ?-?-? 1.595 39.321 3.045 498085 ?-?-? 4.068 39.314 3.047 1224282 F41HB2-CB-HB2 3.049 39.373 3.049 61755084 F41H-CB-HB2 7.860 39.435 3.049 1106556 F41HA-CB-HB2 4.452 39.429 3.050 2974433 F41HD2-CB-HB2 7.164 39.434 3.050 2435380 F41HB3-CB-HB2 2.895 39.435 3.050 27733260 R34HD2-CD-HD3 3.202 43.454 3.147 94787600 R34HB3-CD-HD3 1.939 43.454 3.147 2148736 R34HB2-CD-HD3 1.961 43.454 3.147 2471099 R34HG3-CD-HD3 1.607 43.454 3.147 3222830 R34HG2-CD-HD3 1.826 43.454 3.147 2880128 R34HD3-CD-HD3 3.147 43.454 3.147 88326120 ?-?-? 2.186 43.449 3.157 921334 ?-?-? 4.024 43.454 3.157 762357 ?-?-? 0.804 43.491 3.158 459886 ?-?-? 4.083 43.457 3.159 823540 ?-?-? 2.370 43.433 3.159 653812 ?-?-? 0.911 43.455 3.161 912823 R42HD3-CD-HD3 3.171 43.437 3.171 310768896 R42HB3-CD-HD3 1.763 43.437 3.171 1975633 R42HB2-CD-HD2 1.850 43.437 3.171 3492996 R42HG3-CD-HD3 1.589 43.437 3.171 4591196 R42HG2-CD-HD2 1.618 43.437 3.171 5179892 ?-?-? 4.260 43.427 3.173 834148 R34HD2-CD-HD2 3.202 43.454 3.202 123415232 R34HD3-CD-HD2 3.147 43.454 3.202 134648288 R34HB3-CD-HD2 1.939 43.454 3.202 2280336 R34HB2-CD-HD2 1.961 43.454 3.202 2586149 R34HG3-CD-HD2 1.607 43.454 3.202 4044528 R34HG2-CD-HD2 1.826 43.454 3.202 3025711 ?-?-? 0.915 43.515 3.206 745414 ?-?-? 0.804 43.542 3.206 488015 ?-?-? 2.363 43.551 3.207 482865 ?-?-? 2.190 43.483 3.207 785088 ?-?-? 4.074 43.481 3.208 781996 ?-?-? 4.026 43.454 3.209 724944 Y37HB2-CB-HB2 3.252 38.709 3.252 20154896 Y37HB3-CB-HB2 3.027 38.709 3.252 13909520 ?-?-? 4.017 38.687 3.253 2636988 Y37HA-CB-HB2 4.168 38.683 3.254 2523316 Y37HD1-CB-HB2 7.025 38.681 3.254 2490413 L38H-Y37CB-HB2 8.231 38.682 3.254 1964909 ?-?-? 1.872 38.679 3.254 859315 ?-?-? 1.926 38.709 3.254 525835 ?-?-? 0.878 38.671 3.254 1005563 ?-?-? 0.684 38.671 3.254 1206151 ?-?-? 0.930 38.709 3.254 687284 Y37H-CB-HB2 8.576 38.681 3.255 2829777 ?-?-? 1.599 38.682 3.257 346438 R9HG2-CD-HD2 1.841 43.191 3.458 1756128 ?-?-? 4.229 43.191 3.460 3524238 ?-?-? 0.768 43.177 3.460 1009583 R9HD3-CD-HD2 2.990 43.137 3.460 10598599 R9HD2-CD-HD2 3.461 43.185 3.460 13472955 R9HB3-CD-HD2 1.979 43.183 3.461 1602289 R9HG3-CD-HD2 1.462 43.172 3.461 2048013 ?-?-? 8.008 43.187 3.461 741055 R9HB2-CD-HD2 2.250 43.182 3.461 1640566 ?-?-? 1.776 43.191 3.462 1384756 ?-?-? 6.801 43.215 3.462 725801 ?-?-? 0.927 43.141 3.463 417270 ?-?-? 2.363 66.424 3.577 530597 I10HD1-CA-HA 0.693 66.402 3.578 1448645 ?-?-? 8.665 66.402 3.578 838754 ?-?-? 2.213 66.375 3.578 444671 ?-?-? 1.489 66.378 3.578 488837 ?-?-? 1.201 66.424 3.578 817336 L13HG-I10CA-HA 1.781 66.416 3.578 706378 I10HA-CA-HA 3.579 66.395 3.579 55500168 I10H-CA-HA 8.461 66.415 3.579 2348664 I10HB-CA-HA 2.038 66.410 3.579 2213223 I10HG2-CA-HA 0.791 66.405 3.579 6848296 I10HG12-CA-HA 1.916 66.407 3.579 4963823 I10HG13-CA-HA 0.922 66.406 3.579 6616084 N11H-I10CA-HA 8.165 66.408 3.579 664160 ?-?-? 1.360 66.426 3.579 502132 I7HG2-CA-HA 0.896 64.351 3.617 7400984 I7HD1-CA-HA 0.863 64.351 3.617 6564632 I7HB-CA-HA 1.926 64.417 3.618 2853920 I7HG12-CA-HA 1.655 64.425 3.618 2374501 I7HG13-CA-HA 1.103 64.420 3.618 3785497 ?-?-? 8.160 64.382 3.618 505764 I7HA-CA-HA 3.619 64.438 3.619 56796396 I7H-CA-HA 7.882 64.417 3.619 2212521 A8H-I7CA-HA 8.061 64.397 3.619 890686 ?-?-? 8.461 64.416 3.619 1524197 ?-?-? 2.040 64.414 3.619 4494929 ?-?-? 0.683 64.415 3.619 3811353 G40HA3-CA-HA3 3.768 45.758 3.768 28699832 ?-?-? 0.974 45.771 3.772 372266 G40H-CA-HA3 7.878 45.770 3.773 2331779 F41H-G40CA-HA3 7.855 45.758 3.773 1773408 ?-?-? 3.970 45.760 3.774 20985630 ?-?-? 1.890 45.802 3.774 375858 Q30HA-CA-HA 3.805 59.703 3.805 50623520 Q30HB2-CA-HA 2.398 59.703 3.807 4633862 Q30HG2-CA-HA 2.357 59.703 3.807 4734349 Q30H-CA-HA 8.891 59.686 3.808 2922783 Q30HG3-CA-HA 2.185 59.703 3.808 2314385 Q31H-Q30CA-HA 7.880 59.670 3.808 990042 ?-?-? 8.616 59.670 3.808 996651 ?-?-? 8.412 59.713 3.808 497489 ?-?-? 1.922 59.679 3.808 3431554 ?-?-? 1.358 59.676 3.808 1069204 ?-?-? 1.202 59.647 3.808 435669 ?-?-? 0.926 59.674 3.808 2855844 ?-?-? 0.781 59.678 3.808 5065022 Q30HB3-CA-HA 2.093 59.703 3.809 4833698 S44HB3-CB-HB3 3.868 63.743 3.868 161939600 S44HA-CB-HB3 4.441 63.743 3.868 4990682 S44HB2-CB-HB3 3.922 63.743 3.868 191706368 S43HA-CB-HB3 4.389 63.615 3.870 5206699 S44HB2-CB-HB2 3.922 63.743 3.922 176941728 S44HA-CB-HB2 4.441 63.743 3.922 4669966 S44HB3-CB-HB2 3.868 63.743 3.922 160295280 S43HA-CB-HB2 4.389 63.615 3.926 4889534 G20HA3-CA-HA3 3.947 45.907 3.947 43242372 L13HB3-CA-HA 1.199 57.835 3.948 3303670 L13HD1-CA-HA 0.778 57.835 3.948 7716818 L13HD2-CA-HA 0.749 57.835 3.948 7379334 ?-?-? 7.680 45.907 3.949 1617267 L13H-CA-HA 8.665 57.840 3.950 2003210 L13HB2-CA-HA 1.928 57.835 3.950 4005847 L13HA-CA-HA 3.952 57.866 3.951 37256168 L13HG-CA-HA 1.773 57.856 3.951 3128241 ?-?-? 7.978 57.834 3.951 1476626 A14H-L13CA-HA 8.329 57.845 3.952 667886 G20H-CA-HA3 7.756 45.917 3.952 5116158 ?-?-? 8.527 57.776 3.952 535351 ?-?-? 1.541 57.843 3.952 3157890 ?-?-? 4.181 45.912 3.952 21638384 ?-?-? 1.319 57.829 3.953 788563 ?-?-? 1.552 45.914 3.953 618328 ?-?-? 0.863 45.897 3.953 1169648 ?-?-? 4.617 45.935 3.954 366574 ?-?-? 1.896 45.808 3.967 457256 K27HA-CA-HA 3.968 60.129 3.968 166972576 E24HG2-CA-HA 2.417 60.049 3.969 7849412 G40HA2-CA-HA2 3.970 45.758 3.970 46478336 K27HB2-CA-HA 1.952 60.129 3.970 10222357 K27HE2-CA-HA 2.859 60.129 3.970 972151 G40H-CA-HA2 7.877 45.752 3.970 2137455 ?-?-? 7.900 59.992 3.970 2686698 E29HA-CA-HA 3.971 59.269 3.971 105597712 K27H-CA-HA 8.657 60.179 3.971 4526890 E29H-CA-HA 7.915 59.269 3.971 3662100 E24HB2-CA-HA 2.086 60.049 3.971 12375797 E29HB2-CA-HA 2.258 59.269 3.971 3032331 E24HB3-CA-HA 2.058 60.049 3.971 12310874 K27HB3-CA-HA 1.902 60.129 3.971 9573001 E29HB3-CA-HA 2.047 59.269 3.971 12554126 E29HG2-CA-HA 2.385 59.269 3.971 6249320 K27HG3-CA-HA 1.397 60.129 3.971 4865610 E29HG3-CA-HA 2.041 59.269 3.971 12554126 K27HE3-CA-HA 2.805 60.129 3.971 1053217 E25H-E24CA-HA 8.897 59.990 3.971 2341484 A28H-K27CA-HA 7.650 60.166 3.971 1679846 Q30H-E29CA-HA 8.891 59.269 3.971 1469913 ?-?-? 3.774 45.761 3.971 21075878 ?-?-? 0.811 60.216 3.971 5114576 E24H-CA-HA 9.011 60.055 3.972 2599058 K27HG2-CA-HA 1.660 60.129 3.972 8916489 ?-?-? 2.059 59.665 3.972 14447988 F41H-G40CA-HA2 7.848 45.758 3.972 1677570 E24HG3-CA-HA 2.392 60.049 3.973 8823374 ?-?-? 7.734 59.307 3.973 1151961 ?-?-? 0.975 45.849 3.973 303696 S3H-CB-HB3 8.115 64.689 3.974 851328 ?-?-? 1.715 64.770 3.974 491761 S3HB3-CB-HB3 3.975 64.722 3.975 47210540 ?-?-? 1.527 64.698 3.975 395962 S3HA-CB-HB3 4.421 64.736 3.976 4858556 S3HB2-CB-HB3 4.219 64.744 3.976 19836858 ?-?-? 1.434 64.734 3.977 545088 R34HA-CA-HA 4.009 59.839 4.009 115830064 R34H-CA-HA 8.413 59.839 4.009 2983196 R34HB2-CA-HA 1.961 59.839 4.009 7389024 R34HB3-CA-HA 1.939 59.839 4.009 7612840 R34HG2-CA-HA 1.826 59.839 4.009 3041670 Q35H-R34CA-HA 7.850 59.839 4.009 1087290 Y37H-R34CA-HA 8.584 59.702 4.009 1524601 R34HD3-CA-HA 3.148 59.839 4.014 834374 ?-?-? 3.251 59.878 4.014 3929354 K39HG3-E36CA-HA 1.456 59.271 4.014 923994 E36HA-CA-HA 4.015 59.271 4.015 152379008 E36H-CA-HA 7.939 59.271 4.015 4394294 E36HB2-CA-HA 2.172 59.271 4.015 7490528 E36HB3-CA-HA 2.100 59.271 4.015 5123166 E36HG2-CA-HA 2.449 59.271 4.015 2419984 E36HG3-CA-HA 2.182 59.271 4.015 8199766 R34HD2-CA-HA 3.203 59.839 4.015 2617849 Y37H-E36CA-HA 8.582 59.271 4.015 1705486 ?-?-? 3.023 59.677 4.015 2297439 ?-?-? 0.683 59.726 4.015 1747558 ?-?-? 8.230 59.606 4.015 749666 Y37HD1-R34CA-HA 7.029 59.741 4.015 567308 K39HG2-E36CA-HA 1.570 59.271 4.016 4076411 K39H-E36CA-HA 7.800 59.408 4.018 1126970 K16HA-CA-HA 4.026 59.878 4.026 134328912 K16H-CA-HA 7.977 59.878 4.026 3937821 K16HB2-CA-HA 1.896 59.878 4.026 7151475 K16HB3-CA-HA 1.514 59.878 4.026 5659630 K16HG2-CA-HA 1.775 59.878 4.026 3125118 K16HG3-CA-HA 1.320 59.878 4.026 4245569 K16HD2-CA-HA 1.663 59.878 4.026 1815997 K16HD3-CA-HA 1.548 59.878 4.026 8278727 A17H-K16CA-HA 8.527 59.878 4.026 1488848 K18H-A17CA-HA 8.125 54.995 4.027 941367 ?-?-? 7.750 55.011 4.027 857216 ?-?-? 7.678 54.995 4.027 927800 ?-?-? 6.842 55.007 4.027 1637716 A17H-CA-HA 8.528 54.999 4.028 2657779 A17HB-CA-HA 1.576 54.992 4.028 12501080 ?-?-? 1.290 54.985 4.028 3778810 ?-?-? 0.867 54.991 4.028 8435931 ?-?-? 0.862 59.755 4.031 6752538 A17HA-CA-HA 4.036 54.993 4.036 104887512 ?-?-? 7.666 59.665 4.038 1592315 M1HA-CA-HA 4.052 55.026 4.052 123864792 M1HB3-CA-HA 2.093 55.026 4.052 3985537 M1HG2-CA-HA 2.644 55.026 4.052 1050353 K18HA-CA-HA 4.053 58.961 4.053 97958560 K18HB2-CA-HA 1.943 58.961 4.053 9198981 K18HB3-CA-HA 1.930 58.961 4.053 9198981 K18HG2-CA-HA 1.557 58.961 4.053 4986244 K18HG3-CA-HA 1.476 58.961 4.053 2051828 K18HD2-CA-HA 1.701 58.961 4.053 1671970 A19H-K18CA-HA 7.659 58.961 4.053 1272078 K18H-CA-HA 8.125 58.961 4.057 4134190 R34HG3-CA-HA 1.607 59.839 4.073 1259203 K39H-L38CA-HA 7.786 57.032 4.073 1243967 E26HA-CA-HA 4.074 58.684 4.074 155876048 E26H-CA-HA 7.837 58.684 4.074 3446344 E26HB2-CA-HA 2.460 58.684 4.074 3311026 E26HG2-CA-HA 2.354 58.684 4.074 3282255 K27H-E26CA-HA 8.659 58.684 4.074 606158 ?-?-? 7.027 56.964 4.074 777243 L38HA-CA-HA 4.075 56.986 4.075 61388664 L38H-CA-HA 8.230 57.020 4.075 2722120 L38HB2-CA-HA 1.867 56.991 4.075 5107754 L38HB3-CA-HA 1.590 57.029 4.075 4301600 L38HD1-CA-HA 0.921 57.053 4.075 6487632 L38HD2-CA-HA 0.888 57.053 4.075 8528899 ?-?-? 3.048 57.016 4.075 1220386 A14HA-CA-HA 4.076 55.100 4.076 78475584 ?-?-? 7.166 57.031 4.076 952651 ?-?-? 2.895 57.004 4.077 849055 ?-?-? 3.251 57.035 4.078 408680 ?-?-? 0.810 55.040 4.078 866418 E26HG3-CA-HA 2.062 58.684 4.080 7373364 ?-?-? 0.769 58.707 4.080 2439934 E26HB3-CA-HA 1.745 58.684 4.081 3285933 ?-?-? 8.893 58.688 4.081 816458 ?-?-? 7.658 55.088 4.081 1419257 ?-?-? 8.126 55.067 4.082 531524 A14H-CA-HA 8.329 55.081 4.082 2863147 A14HB-CA-HA 1.526 55.100 4.082 14912247 A15H-A14CA-HA 7.797 55.072 4.082 1114409 ?-?-? 8.528 55.067 4.082 1753546 ?-?-? 6.156 55.061 4.082 1711041 ?-?-? 1.575 54.963 4.082 10208238 Q31HA-CA-HA 4.085 58.842 4.085 212860272 Q35HA-CA-HA 4.085 58.771 4.085 200875008 Q31H-CA-HA 7.874 58.842 4.085 8666700 Q35H-CA-HA 7.850 58.771 4.085 8564182 Q31HB2-CA-HA 2.216 58.842 4.085 14018707 Q35HB2-CA-HA 2.279 58.771 4.085 8465098 Q31HB3-CA-HA 2.192 58.842 4.085 12325301 Q35HB3-CA-HA 2.190 58.771 4.085 11745571 Q31HG2-CA-HA 2.511 58.842 4.085 4402369 Q35HG2-CA-HA 2.574 58.771 4.085 1689918 Q31HG3-CA-HA 2.484 58.842 4.085 6005581 Q35HG3-CA-HA 2.488 58.771 4.085 5821798 K32H-Q31CA-HA 7.739 58.842 4.085 1861322 E36H-Q35CA-HA 7.939 58.771 4.085 3657517 ?-?-? 3.194 58.979 4.089 890854 ?-?-? 8.231 58.820 4.091 739039 ?-?-? 8.411 58.992 4.091 1424641 ?-?-? 0.921 58.959 4.092 2711478 ?-?-? 1.593 59.249 4.093 3741950 K32HA-CA-HA 4.096 59.708 4.096 174834848 K32H-CA-HA 7.739 59.708 4.096 4706656 K32HB2-CA-HA 2.028 59.708 4.096 7419730 K32HB3-CA-HA 1.997 59.708 4.096 10629831 K32HG2-CA-HA 1.608 59.708 4.096 3120851 K32HG3-CA-HA 1.440 59.708 4.096 2326255 K32HD2-CA-HA 1.694 59.708 4.096 2450436 K32HD3-CA-HA 1.694 59.708 4.096 2450436 K32HE2-CA-HA 2.979 59.708 4.096 333011 K32HE3-CA-HA 2.979 59.708 4.096 333011 L33H-K32CA-HA 8.617 59.708 4.096 1179336 ?-?-? 0.938 59.382 4.110 2007648 E12HA-CA-HA 4.111 59.252 4.111 205740880 E12HB2-CA-HA 2.264 59.252 4.111 8404276 E12HB3-CA-HA 2.185 59.252 4.111 9645307 E12HG3-CA-HA 2.010 59.252 4.111 10317482 A28HB-E25CA-HA 1.540 60.042 4.113 7240062 E12HG2-CA-HA 2.386 59.252 4.114 4528756 L13H-E12CA-HA 8.660 59.252 4.114 1028748 E25HA-CA-HA 4.116 60.042 4.116 165600464 E25HB2-CA-HA 2.040 60.042 4.116 7904426 E25HB3-CA-HA 1.973 60.042 4.116 10243731 E25HG2-CA-HA 2.414 60.042 4.116 2718506 E25HG3-CA-HA 2.318 60.042 4.116 4521990 E26H-E25CA-HA 7.837 60.042 4.116 2690381 K6HA-CA-HA 4.119 59.550 4.119 204002224 K6H-CA-HA 7.844 59.550 4.119 3660517 K6HB2-CA-HA 2.009 59.550 4.119 9901967 K6HB3-CA-HA 1.710 59.550 4.119 5394351 K6HG2-CA-HA 1.522 59.550 4.119 9377240 K6HG3-CA-HA 1.388 59.550 4.119 4131814 K6HD2-CA-HA 1.731 59.550 4.119 5085564 K6HD3-CA-HA 1.678 59.550 4.119 4071367 K6HE2-CA-HA 2.983 59.550 4.119 700553 K6HE3-CA-HA 2.959 59.550 4.119 696935 I7H-K6CA-HA 7.887 59.550 4.119 2987881 R9H-K6CA-HA 7.773 59.550 4.119 2825217 E12H-CA-HA 8.526 59.304 4.120 3482953 E25H-CA-HA 8.915 60.099 4.121 3410993 ?-?-? 7.648 60.112 4.122 1432061 K39HA-CA-HA 4.142 58.197 4.142 119890432 K39H-CA-HA 7.791 58.186 4.149 3642721 K39HG2-CA-HA 1.577 58.233 4.150 2346796 G40H-K39CA-HA 7.883 58.197 4.150 1274916 K39HG3-CA-HA 1.444 58.076 4.152 2767915 K39HD2-CA-HA 1.692 58.080 4.152 1631984 L33HA-CA-HA 4.153 57.774 4.153 123482816 L33HB2-CA-HA 1.918 57.774 4.153 12183750 L33HG-CA-HA 1.904 57.774 4.153 12183750 K39HB2-CA-HA 1.898 58.021 4.154 13265135 K39HE3-CA-HA 2.986 58.197 4.156 493221 ?-?-? 0.684 57.872 4.156 550187 L33HD2-CA-HA 0.964 57.774 4.157 9002391 L33HB3-CA-HA 1.354 57.774 4.158 3867464 K39HE2-CA-HA 2.976 58.197 4.158 493221 ?-?-? 2.089 58.060 4.158 2056476 ?-?-? 7.925 57.911 4.158 1633491 L33H-CA-HA 8.613 57.831 4.159 2892805 L33HD1-CA-HA 0.923 57.774 4.159 4610706 A8HA-CA-HA 4.160 55.102 4.160 69250416 A8HB-CA-HA 1.478 55.102 4.160 9587078 ?-?-? 2.450 57.900 4.160 935234 ?-?-? 2.183 57.861 4.160 3440431 R34H-L33CA-HA 8.412 57.846 4.162 762361 ?-?-? 1.569 60.459 4.162 561715 ?-?-? 1.914 60.590 4.162 917544 ?-?-? 2.087 60.590 4.163 465806 ?-?-? 2.181 60.372 4.163 445562 A8H-CA-HA 8.062 55.091 4.164 3404730 R9H-A8CA-HA 7.775 55.102 4.166 2463953 ?-?-? 6.883 55.152 4.166 568950 ?-?-? 0.974 60.524 4.167 1518004 ?-?-? 7.554 55.098 4.167 872149 ?-?-? 2.813 55.102 4.167 1254058 Y37HA-CA-HA 4.168 60.563 4.168 52244568 Y37H-CA-HA 8.577 60.576 4.168 2266692 ?-?-? 1.353 60.438 4.168 633609 ?-?-? 2.901 55.076 4.168 2926571 Y37HB2-CA-HA 3.254 60.594 4.169 3056430 Y37HB3-CA-HA 3.029 60.589 4.169 5105158 Y37HD2-CA-HA 7.025 60.589 4.169 2566469 ?-?-? 0.868 60.599 4.169 2245714 ?-?-? 0.686 60.595 4.169 475032 ?-?-? 0.894 55.078 4.169 1893807 L38H-Y37CA-HA 8.230 60.545 4.170 940967 A17H-A15CA-HA 8.520 55.102 4.175 759877 A15HA-CA-HA 4.176 55.196 4.176 165633872 A15H-CA-HA 7.794 55.196 4.176 4008904 K16H-A15CA-HA 7.977 55.196 4.176 819706 K18H-A15CA-HA 8.133 55.196 4.176 2300785 ?-?-? 4.610 45.904 4.179 330496 G20HA2-CA-HA2 4.180 45.907 4.180 27765530 G20H-CA-HA2 7.758 45.907 4.180 3541492 ?-?-? 1.549 45.935 4.181 477979 ?-?-? 0.862 45.927 4.181 974158 A15HB-CA-HA 1.542 55.196 4.182 14236064 ?-?-? 7.682 45.907 4.182 1385994 ?-?-? 3.952 45.910 4.182 20593360 ?-?-? 1.935 55.127 4.183 5658476 ?-?-? 1.690 55.124 4.184 1217509 A5H-CA-HA 8.510 54.896 4.186 260690 ?-?-? 2.852 54.896 4.190 1065608 A5HA-CA-HA 4.191 54.896 4.191 172990208 A5HB-CA-HA 1.437 54.896 4.191 12057605 K6H-A5CA-HA 7.844 54.896 4.191 1617964 A8H-A5CA-HA 8.067 54.896 4.191 2087973 E48HA-CA-HA 4.211 56.461 4.211 140684688 E48HB2-CA-HA 1.899 56.461 4.211 3243255 E48HB3-CA-HA 1.840 56.461 4.211 2455522 E48HG2-CA-HA 2.186 56.461 4.211 1144667 E48HG3-CA-HA 2.125 56.461 4.211 1257107 E48H-CA-HA 8.358 56.430 4.214 745223 A28HA-CA-HA 4.216 55.014 4.216 103271288 A28HB-CA-HA 1.536 55.024 4.218 14244674 ?-?-? 1.938 55.014 4.219 1134464 S3HB2-CB-HB2 4.220 64.746 4.220 45081884 S3H-CB-HB2 8.113 64.722 4.220 344187 S3HA-CB-HB2 4.420 64.746 4.220 7245626 S3HB3-CB-HB2 3.976 64.739 4.220 19453678 ?-?-? 7.873 55.014 4.220 2275041 E29H-A28CA-HA 7.916 55.014 4.221 1318961 ?-?-? 1.710 64.787 4.221 322693 ?-?-? 1.437 64.706 4.221 791163 A28H-CA-HA 7.648 55.018 4.222 3953610 ?-?-? 2.496 55.051 4.222 1016065 ?-?-? 2.210 55.029 4.222 4374154 R9HA-CA-HA 4.226 57.517 4.226 48550024 R9H-CA-HA 7.769 57.517 4.226 1721140 R9HG2-CA-HA 1.841 57.517 4.226 1350004 R9HG3-CA-HA 1.460 57.517 4.226 1545118 ?-?-? 0.935 57.525 4.228 534762 I10H-R9CA-HA 8.460 57.517 4.229 675298 ?-?-? 8.518 57.517 4.229 1303976 ?-?-? 2.189 57.517 4.229 2851982 R9HB2-CA-HA 2.251 57.494 4.230 5132874 R9HB3-CA-HA 1.979 57.502 4.230 3610986 R9HD2-CA-HA 3.460 57.501 4.230 4301762 R9HD3-CA-HA 2.991 57.466 4.230 2598185 ?-?-? 0.769 57.437 4.230 500979 ?-?-? 2.386 57.506 4.231 770495 R42H-CA-HA 8.039 56.532 4.263 401677 R42HD3-CA-HA 3.182 56.448 4.267 1267568 R42HA-CA-HA 4.269 56.505 4.269 230065136 R42HB2-CA-HA 1.850 56.505 4.269 4448719 R42HB3-CA-HA 1.763 56.505 4.269 4842532 R42HG2-CA-HA 1.618 56.505 4.269 2774858 R42HG3-CA-HA 1.589 56.505 4.269 2912098 K46HA-CA-HA 4.276 56.399 4.276 232213536 K46HB2-CA-HA 1.801 56.399 4.276 5147326 K46HB3-CA-HA 1.730 56.399 4.276 4001506 K46HG2-CA-HA 1.428 56.399 4.276 1047910 K46HG3-CA-HA 1.358 56.399 4.276 1360620 K46HD3-CA-HA 1.659 56.399 4.276 2010384 K46H-CA-HA 8.213 56.404 4.280 3679482 L47H-CA-HA 8.210 55.134 4.299 683425 L47HB3-CA-HA 1.484 55.134 4.301 3165656 L47HD1-CA-HA 0.881 55.134 4.301 763088 L47HD2-CA-HA 0.821 55.134 4.301 2995575 L47HA-CA-HA 4.301 55.178 4.302 133215136 L47HB2-CA-HA 1.574 55.134 4.302 3370068 L47HG-CA-HA 1.560 55.134 4.302 3436140 E48H-L47CA-HA 8.365 55.117 4.302 2362308 I22HG2-CA-HA 0.869 61.285 4.351 5301204 I2HB-CA-HA 1.916 61.130 4.352 6728666 I2HG2-CA-HA 0.975 61.084 4.352 4192203 I2HG12-CA-HA 1.561 61.095 4.352 4741915 S3H-I2CA-HA 8.112 61.077 4.352 2768157 I22HA-CA-HA 4.352 61.153 4.353 127463320 I22H-CA-HA 6.841 61.305 4.353 2206538 I22HB-CA-HA 1.287 61.285 4.353 6963100 I22HD1-CA-HA 0.808 61.285 4.353 3645770 T23H-I22CA-HA 9.100 61.290 4.353 8081489 ?-?-? 2.459 61.276 4.353 1509890 I2HD1-CA-HA 0.864 61.095 4.354 5080602 I22HG12-CA-HA 1.787 61.249 4.354 7441756 I2HG13-CA-HA 1.348 61.095 4.354 3689843 I22HG13-CA-HA 1.618 61.285 4.354 4513245 ?-?-? 2.937 61.184 4.354 615771 G20H-A19CA-HA 7.753 52.453 4.358 1098554 A19HA-CA-HA 4.358 52.495 4.359 93071856 A19H-CA-HA 7.660 52.654 4.359 3333581 A19HB-CA-HA 1.546 52.503 4.359 12916068 ?-?-? 1.930 52.563 4.359 870703 ?-?-? 0.865 52.528 4.360 825774 S43HA-CA-HA 4.389 58.809 4.389 123105016 S43H-CA-HA 8.218 58.809 4.389 288895 S43HB2-CA-HA 3.926 58.809 4.389 5797514 S43HB3-CA-HA 3.870 58.809 4.389 4422768 S3HA-CA-HA 4.414 57.714 4.414 221947104 M45HA-CA-HA 4.417 55.795 4.417 101375336 M45HG2-CA-HA 2.542 55.795 4.417 835620 M45HG3-CA-HA 2.473 55.795 4.417 997132 M45H-CA-HA 8.195 55.795 4.419 1845280 M45HB2-CA-HA 2.047 55.795 4.420 2957953 M45HB3-CA-HA 1.992 55.795 4.420 1834581 K46H-M45CA-HA 8.221 55.795 4.420 1734057 S3H-CA-HA 8.114 57.854 4.423 691682 S3HB2-CA-HA 4.219 57.795 4.423 8996517 S3HB3-CA-HA 3.973 57.862 4.424 5275654 N4H-S3CA-HA 8.838 57.879 4.424 355221 ?-?-? 2.847 57.753 4.429 547455 M45H-S44CA-HA 8.204 58.704 4.440 491319 S44HA-CA-HA 4.441 58.697 4.441 211440800 S44HB2-CA-HA 3.922 58.697 4.441 6428113 S44HB3-CA-HA 3.868 58.697 4.441 5627534 ?-?-? 0.889 58.733 4.444 458774 F41HA-CA-HA 4.445 58.735 4.445 211440800 ?-?-? 1.576 58.783 4.447 759848 F41H-CA-HA 7.860 58.759 4.453 1107331 F41HB2-CA-HA 3.049 58.745 4.454 4127597 F41HB3-CA-HA 2.895 58.738 4.454 4287564 F41HD2-CA-HA 7.164 58.737 4.454 2075902 R42H-F41CA-HA 8.041 58.748 4.454 953427 ?-?-? 2.078 58.794 4.455 667593 N11HA-CA-HA 4.485 55.961 4.485 77973280 N11HB2-CA-HA 2.900 55.961 4.485 3328628 N11HB3-CA-HA 2.811 55.961 4.485 5293937 ?-?-? 8.327 55.968 4.491 1603108 N11H-CA-HA 8.163 56.016 4.492 2708030 ?-?-? 1.529 56.005 4.492 6440680 E12H-N11CA-HA 8.523 56.031 4.493 959711 ?-?-? 7.803 55.906 4.494 492775 ?-?-? 0.806 55.927 4.495 1794744 N4HA-CA-HA 4.511 55.617 4.511 87940352 N4H-CA-HA 8.832 55.617 4.511 402880 A5H-N4CA-HA 8.504 55.617 4.511 475774 N4HB2-CA-HA 2.844 55.607 4.516 8241697 ?-?-? 7.877 55.559 4.518 1485673 ?-?-? 1.932 55.585 4.518 4502452 ?-?-? 1.108 55.638 4.518 642856 ?-?-? 0.872 55.563 4.518 3334193 ?-?-? 8.066 55.454 4.519 654485 ?-?-? 1.653 55.583 4.520 1094501 T23H-CA-HA 9.098 61.139 4.603 1876404 T23HA-CA-HA 4.606 61.139 4.604 81567184 T23HB-CA-HA 4.804 60.976 4.604 9259315 T23HG2-CA-HA 1.324 60.960 4.604 7190739 E24H-T23CA-HA 9.012 61.000 4.604 5920732 V21HA-CA-HA 4.612 60.158 4.611 95687488 V21H-CA-HA 7.676 60.331 4.614 2696222 V21HB-CA-HA 2.424 60.319 4.614 8271338 V21HG2-CA-HA 0.861 60.322 4.614 10351822 I22H-V21CA-HA 6.844 60.336 4.614 2700101 Y37HD2-CE2-HE2 7.023 118.325 6.763 8832050 Y37HE2-CE2-HE2 6.762 118.320 6.763 97738768 ?-?-? 3.033 118.301 6.763 340102 ?-?-? 1.106 118.273 6.764 391152 ?-?-? 0.879 118.308 6.764 1794367 ?-?-? 1.894 118.291 6.766 336902 ?-?-? 8.233 132.993 7.025 400863 ?-?-? 1.347 132.977 7.025 548835 ?-?-? 0.952 132.917 7.025 998242 ?-?-? 1.101 132.979 7.025 327195 Y37HD2-CD1-HD1 7.026 132.972 7.026 67490184 Y37HB2-CD1-HD1 3.251 132.960 7.026 1903206 Y37HE1-CD1-HD1 6.764 132.971 7.026 6902056 ?-?-? 4.065 132.993 7.026 640093 ?-?-? 0.880 132.963 7.026 2229307 Y37HB3-CD2-HD2 3.029 132.978 7.027 1882789 Y37HA-CD1-HD1 4.166 132.966 7.027 1515386 ?-?-? 1.870 132.976 7.027 1095712 ?-?-? 1.596 132.947 7.027 445832 ?-?-? 0.684 132.979 7.027 871474 Y37H-CD1-HD1 8.580 132.950 7.030 273107 ?-?-? 0.885 131.882 7.167 375035 F41HZ-CD2-HD2 7.239 131.872 7.168 19284344 ?-?-? 4.072 131.815 7.169 302304 F41HD1-CD1-HD1 7.158 131.872 7.170 71155936 F41HB2-CD1-HD1 3.049 131.838 7.170 814507 F41HB3-CD2-HD2 2.895 131.817 7.170 719577 F41HA-CD1-HD1 4.448 131.829 7.171 527182 F41HE1-CD1-HD1 7.182 131.872 7.171 65320600 F41HE2-CE2-HE2 7.186 131.422 7.186 49423924 F41HD1-CE1-HE1 7.159 131.422 7.186 51605576 F41HZ-CE2-HE2 7.238 131.422 7.186 17101178 F41HZ-CZ-HZ 7.238 129.740 7.238 44373900 F41HE1-CZ-HZ 7.186 129.740 7.238 24543508 F41HD2-CZ-HZ 7.159 129.740 7.238 10255292 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 N . . . . . 15476 1 2 C 13 H . . . . . 15476 1 3 H 1 H . . . . . 15476 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 10 $SPARKY . . 15476 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15476 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D simultaneous CN-NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details ; Raw N15 peak list from 3D simultaneous CN-NOESY; all N15 peaks are negative and the N15 chemical shifts are in C13 ppm. To convert the peak list into the final lists used for CYANA and RPF analysis the following equation was used: 15Nactual = { (N15sim - C13center) * 1/2.2705 } + 15Ncenter where C13center and N15center are the C13 and N15 offsets, 54.751 and 119.609 ppm, respectively. This peak list was converted to xeasy format for the final CYANA calculations and is the final N15 peak list used for RPF analysis Contains partial assignments; 617 N15 peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Q30HE22-NE2-HE22 6.157 29.357 6.157 -48128232 Q30HE21-NE2-HE22 7.659 29.357 6.157 -32515546 Q30HG2-NE2-HE22 2.358 29.357 6.157 -1694888 Q30HG3-NE2-HE22 2.185 29.357 6.157 -995245 ?-?-? 4.079 29.346 6.157 -1764044 ?-?-? 1.566 29.325 6.157 -2952180 ?-?-? 0.804 29.337 6.157 -1862530 ?-?-? 1.935 29.275 6.157 -474390 ?-?-? 1.201 29.321 6.158 -454492 I22HB-N-H 1.287 64.764 6.842 -6901788 I22HG2-N-H 0.870 64.764 6.842 -10963583 I22HD1-N-H 0.809 64.764 6.842 -3882981 I22HG12-N-H 1.799 64.764 6.842 -842347 I22HG13-N-H 1.628 64.764 6.842 -1018061 I22HA-N-H 4.353 64.667 6.843 -2455233 I22H-N-H 6.842 64.664 6.843 -53600460 V21H-I22N-H 7.678 64.665 6.843 -6459848 V21HA-I22N-H 4.613 64.661 6.843 -2597859 ?-?-? 2.429 64.691 6.843 -628236 ?-?-? 1.908 64.668 6.843 -591094 ?-?-? 1.549 64.665 6.843 -1600189 ?-?-? 4.027 64.667 6.843 -2153506 T23H-I22N-H 9.100 64.630 6.844 -338122 N11HB2-ND2-HD22 2.901 37.994 6.877 -2220904 N11HB3-ND2-HD22 2.805 37.991 6.877 -1525440 ?-?-? 0.895 37.978 6.878 -2910546 ?-?-? 4.168 37.968 6.878 -734215 N11HD22-ND2-HD22 6.881 38.042 6.881 -82796784 N11HD21-ND2-HD22 7.558 38.042 6.881 -30355314 ?-?-? 1.929 37.582 6.882 -334222 ?-?-? 2.200 37.489 6.887 -320173 Q31HE22-NE2-HE22 6.891 37.252 6.891 -116420152 Q31HE21-NE2-HE22 7.489 37.252 6.891 -40909288 Q31HG2-NE2-HE22 2.511 37.252 6.891 -801254 Q31HG3-NE2-HE22 2.484 37.252 6.891 -865034 Q35HE22-NE2-HE22 6.897 37.463 6.897 -117487888 Q35HE21-NE2-HE22 7.492 37.463 6.897 -40767296 Q35HG2-NE2-HE22 2.574 37.463 6.897 -503092 Q35HG3-NE2-HE22 2.488 37.463 6.897 -843221 N4HD22-ND2-HD22 6.993 39.515 6.995 -37653160 N4HD21-ND2-HD22 7.723 39.525 6.995 -11777163 N4HB3-ND2-HD22 2.844 39.519 6.995 -1457643 ?-?-? 1.945 37.400 7.486 -420098 Q31HE21-NE2-HE21 7.489 37.252 7.489 -116839576 Q31HE22-NE2-HE21 6.891 37.252 7.489 -56288080 Q31HG2-NE2-HE21 2.511 37.252 7.489 -1468031 Q31HG3-NE2-HE21 2.484 37.252 7.489 -1585671 ?-?-? 2.206 37.403 7.489 -544192 ?-?-? 4.092 37.435 7.491 -492464 Q35HE21-NE2-HE21 7.492 37.463 7.492 -87185808 Q35HE22-NE2-HE21 6.897 37.463 7.492 -39423236 Q35HG2-NE2-HE21 2.574 37.463 7.492 -814028 Q35HG3-NE2-HE21 2.488 37.463 7.492 -1258814 ?-?-? 1.493 37.984 7.555 -394031 N11HD21-ND2-HD21 7.554 37.999 7.556 -37457920 N11HD22-ND2-HD21 6.877 37.997 7.556 -30352640 N11HB2-ND2-HD21 2.901 37.982 7.556 -3495740 N11HB3-ND2-HD21 2.807 37.997 7.556 -2309255 ?-?-? 0.895 37.989 7.556 -2313218 ?-?-? 4.168 37.991 7.556 -1144478 ?-?-? 8.161 37.976 7.556 -481790 ?-?-? 4.492 37.958 7.557 -372486 ?-?-? 2.405 61.775 7.647 -595961 A28HA-N-H 4.216 61.734 7.648 -4716878 A28HB-N-H 1.534 61.734 7.648 -12725192 A28H-N-H 7.648 61.734 7.648 -81008736 K27H-A28N-H 8.659 61.734 7.648 -4657070 K27HA-A28N-H 3.971 61.773 7.648 -2223318 ?-?-? 8.896 61.785 7.648 -745194 ?-?-? 7.911 61.775 7.648 -5437210 ?-?-? 4.116 61.774 7.648 -1936041 ?-?-? 2.246 61.796 7.648 -599594 ?-?-? 1.942 61.772 7.648 -4589992 ?-?-? 1.666 61.779 7.648 -1073430 Q30HE21-NE2-HE21 7.656 29.329 7.657 -46098324 Q30HG2-NE2-HE21 2.364 29.339 7.657 -3214504 ?-?-? 1.556 29.334 7.657 -1960842 ?-?-? 0.800 29.345 7.657 -1670645 Q30HE22-NE2-HE21 6.157 29.346 7.658 -32325302 ?-?-? 1.940 29.326 7.658 -695736 ?-?-? 2.097 29.357 7.658 -587091 ?-?-? 1.202 29.365 7.658 -678571 ?-?-? 4.081 29.340 7.658 -1423915 A19HA-N-H 4.355 51.780 7.659 -2588283 A19HB-N-H 1.544 51.780 7.659 -14720091 A19H-N-H 7.659 51.780 7.659 -75631096 K18H-A19N-H 8.125 51.780 7.659 -6404640 K18HA-A19N-H 4.053 51.780 7.659 -3099907 Q30HG3-NE2-HE21 2.185 29.357 7.659 -1929888 ?-?-? 4.182 51.747 7.660 -917758 ?-?-? 1.935 51.748 7.660 -6149762 ?-?-? 0.861 51.732 7.660 -1086525 ?-?-? 7.774 51.762 7.660 -3414378 K16HA-A19N-H 4.021 51.780 7.660 -2400446 ?-?-? 8.529 51.738 7.661 -543090 V21HB-N-H 2.424 32.346 7.678 -1313283 V21H-N-H 7.678 32.346 7.678 -65666824 G20H-V21N-H 7.758 32.346 7.678 -7158432 V21HA-N-H 4.614 32.465 7.679 -3174384 V21HG1-N-H 0.862 32.476 7.679 -13280016 ?-?-? 1.546 32.471 7.679 -3109189 ?-?-? 1.295 32.468 7.679 -1050799 ?-?-? 4.354 32.479 7.679 -585353 ?-?-? 4.182 32.488 7.679 -1327007 ?-?-? 4.017 32.346 7.679 -1703224 ?-?-? 3.959 32.346 7.679 -1740687 ?-?-? 6.842 32.479 7.679 -7568699 N4HD21-ND2-HD21 7.723 39.519 7.723 -12047850 N4HD22-ND2-HD21 6.994 39.528 7.723 -13159847 N4HB3-ND2-HD21 2.845 39.509 7.723 -2296702 R34H-K32N-H 8.414 57.550 7.738 -445350 K32HA-N-H 4.096 57.550 7.739 -6345412 K32HB2-N-H 2.028 57.550 7.739 -7076746 K32HB3-N-H 1.997 57.550 7.739 -10024077 K32H-N-H 7.739 57.550 7.739 -77311896 Q31H-K32N-H 7.874 57.550 7.739 -5436988 Q31HA-K32N-H 4.085 57.550 7.739 -6345412 K32HG2-N-H 1.608 57.550 7.739 -2018001 K32HG3-N-H 1.440 57.550 7.739 -1326472 K32HD2-N-H 1.694 57.550 7.739 -731175 K32HD3-N-H 1.694 57.550 7.739 -731175 ?-?-? 2.493 57.595 7.739 -839240 ?-?-? 8.615 57.591 7.739 -4434466 ?-?-? 2.402 57.550 7.740 -495037 ?-?-? 3.970 57.582 7.740 -1493264 ?-?-? 8.892 57.552 7.740 -432366 ?-?-? 2.211 57.563 7.741 -5644869 G20HA2-N-H 4.180 23.743 7.758 -3792191 G20HA3-N-H 3.947 23.743 7.758 -5998228 G20H-N-H 7.757 23.943 7.758 -54167408 A19H-G20N-H 7.662 23.932 7.758 -8619271 A19HA-G20N-H 4.355 23.743 7.758 -1337550 ?-?-? 1.932 23.931 7.759 -559687 ?-?-? 1.549 23.934 7.759 -2928042 ?-?-? 0.862 23.925 7.759 -1650219 ?-?-? 6.840 23.918 7.759 -542075 ?-?-? 8.128 23.950 7.760 -686216 ?-?-? 4.026 23.743 7.760 -2800538 R9HA-N-H 4.226 57.214 7.769 -2983340 R9HB2-N-H 2.238 57.214 7.769 -5014346 R9HB3-N-H 1.969 57.214 7.769 -5446665 R9H-N-H 7.769 57.214 7.769 -54175468 A8H-R9N-H 8.062 57.214 7.769 -3593736 A8HA-R9N-H 4.160 57.214 7.769 -2692667 R9HG2-N-H 1.841 57.214 7.769 -878938 R9HG3-N-H 1.476 57.257 7.769 -5416133 R9HD2-N-H 3.458 57.214 7.769 -332732 R9HD3-N-H 2.994 57.214 7.769 -517725 ?-?-? 8.460 57.253 7.769 -3149975 ?-?-? 3.608 57.289 7.769 -497059 ?-?-? 0.916 57.256 7.769 -885461 K6HA-R9N-H 4.115 57.214 7.770 -2714896 E36HA-K39N-H 4.013 53.180 7.789 -1520527 K39HA-N-H 4.142 53.180 7.790 -4992074 K39HB2-N-H 1.886 53.180 7.790 -11489213 K39H-N-H 7.790 53.180 7.790 -59287292 L38H-K39N-H 8.229 53.180 7.790 -3373775 L38HA-K39N-H 4.072 53.180 7.790 -2379006 K39HG3-N-H 1.454 53.180 7.790 -1109277 K39HD2-N-H 1.689 53.180 7.790 -603233 K39HD3-N-H 1.689 53.180 7.790 -603233 ?-?-? 0.905 53.142 7.790 -722333 K39HG2-N-H 1.574 53.180 7.790 -3149203 A15HA-N-H 4.176 59.790 7.794 -4718728 A15HB-N-H 1.545 59.790 7.794 -19593666 A15H-N-H 7.794 59.790 7.794 -82928032 A14H-A15N-H 8.326 59.790 7.794 -4667242 A14HA-A15N-H 4.076 59.790 7.794 -1949392 ?-?-? 4.490 59.798 7.796 -659315 ?-?-? 1.926 59.832 7.796 -879645 ?-?-? 7.980 59.817 7.796 -6097774 ?-?-? 8.528 59.803 7.796 -780946 ?-?-? 1.767 59.809 7.797 -640340 ?-?-? 8.664 59.923 7.800 -575521 E26HA-N-H 4.074 60.172 7.837 -2755160 E26HB2-N-H 2.460 60.172 7.837 -4834722 E26HB3-N-H 1.755 60.172 7.837 -2647062 E26H-N-H 7.837 60.172 7.837 -47385332 E25H-E26N-H 8.917 60.172 7.837 -3656753 E25HA-E26N-H 4.116 60.172 7.837 -1989266 E26HG2-N-H 2.354 60.172 7.837 -3623384 E26HG3-N-H 2.073 60.172 7.837 -4326746 ?-?-? 1.555 60.172 7.837 -903144 ?-?-? 1.323 60.136 7.837 -831806 ?-?-? 1.969 60.164 7.838 -2053316 ?-?-? 0.780 60.135 7.838 -748293 ?-?-? 3.970 60.125 7.838 -663419 ?-?-? 8.658 60.141 7.838 -4363140 ?-?-? 9.100 60.117 7.838 -1237426 K6HA-N-H 4.119 55.430 7.844 -2432858 K6HB2-N-H 2.009 55.430 7.844 -4479144 K6HB3-N-H 1.710 55.430 7.844 -2697778 K6H-N-H 7.844 55.430 7.844 -42879000 A5HA-K6N-H 4.191 55.430 7.844 -1656177 K6HG2-N-H 1.522 55.430 7.844 -2242542 K6HG3-N-H 1.388 55.430 7.844 -2818099 K6HD2-N-H 1.731 55.430 7.844 -2443220 K6HD3-N-H 1.678 55.430 7.844 -2117680 ?-?-? 1.442 55.430 7.844 -3620497 Q35HA-N-H 4.085 49.814 7.850 -6282514 Q35HB2-N-H 2.279 49.814 7.850 -6128151 Q35HB3-N-H 2.190 49.814 7.850 -4372870 Q35H-N-H 7.850 49.814 7.850 -68147552 R34H-Q35N-H 8.413 49.814 7.850 -3975062 R34HA-Q35N-H 4.009 49.814 7.850 -1572370 Q35HG2-N-H 2.574 49.814 7.850 -2332145 Q35HG3-N-H 2.488 49.814 7.850 -2619919 ?-?-? 8.600 49.839 7.851 -707541 ?-?-? 7.950 49.814 7.851 -3118955 ?-?-? 1.957 49.826 7.851 -4237600 ?-?-? 1.607 49.813 7.851 -589357 ?-?-? 0.926 49.838 7.851 -484714 ?-?-? 1.855 49.814 7.853 -807450 F41HB2-N-H 3.047 56.358 7.859 -2039206 F41HB3-N-H 2.891 56.358 7.859 -2869769 F41H-N-H 7.859 56.358 7.859 -31968276 F41HD1-N-H 7.163 56.305 7.860 -504055 ?-?-? 3.972 56.232 7.860 -1091673 F41HA-N-H 4.455 56.290 7.861 -1796908 ?-?-? 3.773 56.291 7.861 -1066194 Q31HB2-N-H 2.216 51.121 7.874 -12748523 Q31HB3-N-H 2.192 51.121 7.874 -10916815 Q31H-N-H 7.874 51.121 7.874 -80017592 Q30H-Q31N-H 8.891 51.121 7.874 -3635876 Q31HG2-N-H 2.511 51.121 7.874 -2550618 Q31HG3-N-H 2.484 51.121 7.874 -3072252 ?-?-? 8.620 51.065 7.874 -537446 Q31HA-N-H 4.090 51.024 7.875 -4993716 ?-?-? 7.738 51.114 7.875 -4807902 ?-?-? 4.222 51.094 7.875 -1814647 ?-?-? 3.970 51.087 7.875 -1179639 ?-?-? 2.400 51.095 7.875 -4385960 ?-?-? 2.089 51.082 7.875 -1887607 ?-?-? 1.542 51.128 7.875 -604760 ?-?-? 1.968 51.024 7.875 -1102991 Q30HA-Q31N-H 3.808 51.085 7.876 -1153820 ?-?-? 0.789 51.084 7.876 -567141 ?-?-? 4.510 56.765 7.882 -1278213 ?-?-? 2.008 56.744 7.883 -2359317 K6HA-I7N-H 4.129 56.741 7.884 -1331371 G40HA2-N-H 3.972 25.833 7.885 -2690721 G40HA3-N-H 3.773 25.830 7.885 -3269092 I7HB-N-H 1.934 56.782 7.885 -7271371 G40H-N-H 7.885 25.665 7.885 -14613116 K39H-G40N-H 7.790 25.665 7.885 -1666552 K39HA-G40N-H 4.151 25.840 7.885 -1826639 I7HG12-N-H 1.660 56.786 7.885 -5607475 I7HG13-N-H 1.103 56.782 7.885 -2900726 ?-?-? 1.475 56.782 7.885 -1216938 ?-?-? 8.065 56.788 7.885 -4031389 K39HB2-G40N-H 1.891 25.836 7.885 -1711261 I7HA-N-H 3.615 56.744 7.887 -2588889 I7H-N-H 7.887 56.744 7.887 -59065936 K6H-I7N-H 7.844 56.744 7.887 -39793288 I7HG2-N-H 0.896 56.744 7.887 -3140289 I7HD1-N-H 0.863 56.744 7.887 -3006084 E29H-N-H 7.913 61.750 7.914 -64339044 A28H-E29N-H 7.647 61.752 7.914 -5611741 ?-?-? 8.891 61.755 7.914 -4316938 ?-?-? 8.653 61.777 7.914 -567483 ?-?-? 4.088 61.740 7.914 -2540951 ?-?-? 1.537 61.748 7.914 -5588661 E29HA-N-H 3.971 61.747 7.915 -4627555 E29HB2-N-H 2.258 61.747 7.915 -5772285 E29HB3-N-H 2.047 61.747 7.915 -7736073 A28HA-E29N-H 4.216 61.747 7.915 -1320332 E29HG2-N-H 2.385 61.747 7.915 -2197018 E29HG3-N-H 2.041 61.747 7.915 -7736073 ?-?-? 0.778 61.742 7.915 -800836 ?-?-? 4.137 54.626 7.937 -2135318 E36HA-N-H 4.015 54.626 7.939 -4502530 E36HB2-N-H 2.172 54.626 7.939 -7459460 E36HB3-N-H 2.100 54.626 7.939 -3542477 E36H-N-H 7.939 54.626 7.939 -61106468 Q35H-E36N-H 7.850 54.626 7.939 -2782357 Q35HA-E36N-H 4.085 54.626 7.939 -2067450 E36HG2-N-H 2.449 54.626 7.939 -2837951 E36HG3-N-H 2.182 54.626 7.939 -8735461 ?-?-? 0.955 54.567 7.939 -510154 ?-?-? 8.579 54.612 7.939 -3395901 ?-?-? 1.908 54.577 7.939 -743753 R34H-E36N-H 8.417 54.584 7.939 -449741 ?-?-? 2.269 54.626 7.940 -2408470 ?-?-? 3.954 55.829 7.976 -2412180 K16HA-N-H 4.026 55.829 7.977 -4367738 K16HB2-N-H 1.896 55.829 7.977 -5495935 K16HB3-N-H 1.514 55.829 7.977 -5412094 K16H-N-H 7.977 55.829 7.977 -69486328 A15H-K16N-H 7.794 55.829 7.977 -5185974 A15HA-K16N-H 4.176 55.829 7.977 -1385227 K16HG2-N-H 1.775 55.829 7.977 -5447822 K16HG3-N-H 1.320 55.829 7.977 -2677164 K16HD2-N-H 1.663 55.829 7.977 -444831 K16HD3-N-H 1.548 55.829 7.977 -9266961 ?-?-? 0.846 55.740 7.978 -1054852 ?-?-? 0.781 55.829 7.978 -747341 ?-?-? 8.527 55.747 7.978 -4486799 ?-?-? 3.461 -22.540 8.007 -910289 ?-?-? 2.247 -22.591 8.007 -526813 ?-?-? 2.990 -22.557 8.008 -1228821 ?-?-? 1.986 -22.512 8.008 -619575 ?-?-? 1.843 -22.537 8.008 -2758915 ?-?-? 1.461 -22.545 8.008 -1834200 ?-?-? 0.930 -22.559 8.008 -667763 ?-?-? 0.772 -22.553 8.008 -1427560 ?-?-? 8.007 -22.549 8.008 -11721830 F41HA-R42N-H 4.452 59.227 8.042 -1504530 ?-?-? 3.049 59.280 8.042 -463762 R42HA-N-H 4.269 59.227 8.044 -821003 R42HB2-N-H 1.850 59.227 8.044 -892432 R42HB3-N-H 1.763 59.227 8.044 -1006211 R42H-N-H 8.044 59.227 8.044 -29975656 R42HG2-N-H 1.618 59.227 8.044 -857049 R42HG3-N-H 1.589 59.227 8.044 -556210 ?-?-? 2.877 59.305 8.058 -517790 ?-?-? 4.495 59.216 8.059 -1061056 I7HA-A8N-H 3.619 59.327 8.061 -1126415 ?-?-? 1.647 59.216 8.061 -772333 ?-?-? 0.893 59.301 8.061 -2492856 ?-?-? 7.771 59.333 8.061 -3165630 A8HA-N-H 4.160 59.216 8.062 -4607572 A8HB-N-H 1.478 59.216 8.062 -12200696 A8H-N-H 8.062 59.216 8.062 -63553396 I7H-A8N-H 7.887 59.216 8.062 -3875339 ?-?-? 4.189 59.216 8.062 -3985482 ?-?-? 1.931 59.290 8.062 -4897165 ?-?-? 1.101 59.327 8.062 -415118 S3HA-N-H 4.414 54.004 8.112 -1026079 S3HB2-N-H 4.219 54.004 8.112 -639835 S3HB3-N-H 3.973 54.004 8.112 -1245022 S3H-N-H 8.112 54.004 8.112 -6688192 I2HA-S3N-H 4.350 54.004 8.112 -3418094 ?-?-? 1.923 53.906 8.112 -1207480 ?-?-? 1.355 53.882 8.112 -528840 ?-?-? 0.975 53.906 8.112 -566467 ?-?-? 1.719 53.882 8.113 -792346 ?-?-? 1.568 53.915 8.113 -659124 ?-?-? 0.851 57.725 8.124 -570063 K18HA-N-H 4.053 57.743 8.125 -5623964 K18HB2-N-H 1.943 57.743 8.125 -13396020 K18HB3-N-H 1.930 57.743 8.125 -13396020 K18H-N-H 8.125 57.743 8.125 -81526640 A17H-K18N-H 8.527 57.743 8.125 -3894535 A17HA-K18N-H 4.036 57.743 8.125 -5623964 K18HG2-N-H 1.557 57.743 8.125 -7732161 K18HG3-N-H 1.476 57.743 8.125 -899905 K18HD2-N-H 1.701 57.743 8.125 -731165 K18HD3-N-H 1.701 57.743 8.125 -731165 ?-?-? 4.186 57.736 8.126 -1876422 ?-?-? 7.660 57.746 8.126 -5710161 N11HB2-N-H 2.900 54.179 8.161 -5812271 N11HB3-N-H 2.811 54.179 8.161 -2770686 N11H-N-H 8.161 54.179 8.161 -58987916 I10H-N11N-H 8.462 54.179 8.161 -3757032 ?-?-? 8.517 54.179 8.162 -5408244 N11HA-N-H 4.492 54.136 8.163 -3261532 I10HA-N11N-H 3.595 54.122 8.163 -1430974 N11HD21-N-H 7.556 54.110 8.163 -451746 ?-?-? 8.666 54.106 8.163 -546531 ?-?-? 4.166 54.118 8.163 -1562805 ?-?-? 2.233 54.143 8.163 -622209 ?-?-? 2.042 54.127 8.163 -4724436 ?-?-? 1.902 54.153 8.163 -936120 ?-?-? 1.506 54.129 8.163 -729907 ?-?-? 0.903 54.109 8.163 -1186371 ?-?-? 0.795 54.133 8.163 -2493402 ?-?-? 0.679 54.124 8.164 -532887 M45HA-N-H 4.417 60.226 8.194 -1009487 M45HB2-N-H 2.045 60.226 8.194 -333952 M45HB3-N-H 1.995 60.226 8.194 -457837 M45H-N-H 8.194 60.226 8.194 -1346119 L47HA-N-H 4.299 63.695 8.210 -5321418 L47HB2-N-H 1.573 63.695 8.210 -3531958 L47HB3-N-H 1.483 63.695 8.210 -927328 L47H-N-H 8.210 63.695 8.210 -35730124 K46HA-L47N-H 4.276 63.695 8.210 -5248083 L47HG-N-H 1.561 63.695 8.210 -3358554 L47HD1-N-H 0.881 63.695 8.210 -307798 L47HD2-N-H 0.821 63.695 8.210 -303542 R42HA-S43N-H 4.269 47.326 8.218 -387112 K46HB2-N-H 1.801 60.807 8.220 -781010 K46HB3-N-H 1.730 60.807 8.220 -1307430 K46H-N-H 8.220 60.807 8.220 -9468962 K46HG2-N-H 1.428 60.807 8.220 -420909 K46HG3-N-H 1.358 60.807 8.220 -301408 K46HD2-N-H 1.659 60.807 8.220 -242400 K46HD3-N-H 1.659 60.807 8.220 -242400 K46HA-N-H 4.279 60.770 8.221 -1073323 M45HA-K46N-H 4.421 60.749 8.221 -2644961 L38HA-N-H 4.072 53.993 8.229 -4522078 L38HB2-N-H 1.868 53.993 8.229 -10300218 L38HB3-N-H 1.590 53.909 8.229 -2790800 L38H-N-H 8.230 53.912 8.229 -55000616 Y37H-L38N-H 8.578 53.895 8.229 -2819381 Y37HA-L38N-H 4.164 53.993 8.229 -1505336 L38HG-N-H 1.868 53.993 8.229 -10300218 L38HD1-N-H 0.922 53.993 8.229 -2162138 L38HD2-N-H 0.888 53.993 8.229 -2154330 ?-?-? 3.253 53.907 8.229 -3448828 ?-?-? 3.028 53.904 8.229 -1645611 ?-?-? 7.023 53.897 8.230 -838617 ?-?-? 7.790 53.895 8.230 -2947253 A14H-N-H 8.326 60.837 8.326 -64372180 L13H-A14N-H 8.669 60.837 8.326 -3707013 L13HA-A14N-H 3.948 60.837 8.326 -1020284 A14HA-N-H 4.084 60.796 8.328 -3572085 A14HB-N-H 1.530 60.791 8.328 -12053041 ?-?-? 7.796 60.780 8.328 -4505420 ?-?-? 6.158 60.798 8.328 -419869 ?-?-? 4.491 60.832 8.328 -1775996 ?-?-? 3.582 60.827 8.328 -512646 ?-?-? 1.939 60.787 8.328 -2425574 ?-?-? 1.769 60.807 8.328 -742100 ?-?-? 0.788 60.782 8.328 -1490737 ?-?-? 8.534 60.807 8.329 -1085431 ?-?-? 1.201 60.807 8.329 -1178327 ?-?-? 1.488 59.314 8.365 -792773 E48HA-N-H 4.211 59.248 8.366 -1325461 E48HB2-N-H 1.899 59.248 8.366 -1235084 E48HB3-N-H 1.840 59.248 8.366 -2181213 E48H-N-H 8.366 59.248 8.366 -30805738 L47HA-E48N-H 4.299 59.248 8.366 -4511974 E48HG2-N-H 2.186 59.248 8.366 -629712 E48HG3-N-H 2.125 59.248 8.366 -646944 ?-?-? 1.561 59.248 8.368 -642521 ?-?-? 2.193 53.774 8.412 -934436 ?-?-? 0.932 53.751 8.412 -1127177 ?-?-? 0.791 53.776 8.412 -360724 ?-?-? 0.684 53.784 8.412 -511545 ?-?-? 4.093 53.836 8.412 -2225559 R34HA-N-H 4.009 53.836 8.413 -3499446 R34HB2-N-H 1.961 53.836 8.413 -10763251 R34HB3-N-H 1.939 53.836 8.413 -10588591 R34H-N-H 8.413 53.744 8.413 -57901216 L33H-R34N-H 8.616 53.744 8.413 -4011971 L33HA-R34N-H 4.153 53.836 8.413 -1584936 R34HG2-N-H 1.826 53.836 8.413 -2546974 R34HG3-N-H 1.607 53.836 8.413 -1122879 R34HD2-N-H 3.202 53.836 8.413 -492252 R34HD3-N-H 3.147 53.836 8.413 -410179 ?-?-? 3.807 53.719 8.413 -683765 ?-?-? 1.355 53.740 8.413 -1456095 ?-?-? 7.853 53.747 8.413 -4284338 ?-?-? 1.471 59.043 8.459 -909370 I10HB-N-H 2.039 59.031 8.460 -7234211 I10H-N-H 8.460 59.030 8.460 -44436536 R9H-I10N-H 7.770 59.029 8.460 -2860001 R9HA-I10N-H 4.219 59.032 8.460 -943203 I10HG2-N-H 0.795 59.020 8.460 -1889023 I10HD1-N-H 0.685 59.037 8.460 -1765158 I10HG12-N-H 1.908 59.031 8.460 -5870894 I10HG13-N-H 0.921 59.027 8.460 -3636397 ?-?-? 2.243 59.027 8.460 -2213414 ?-?-? 3.607 58.987 8.460 -3577062 ?-?-? 4.154 59.018 8.460 -717187 ?-?-? 8.164 59.034 8.460 -2651314 I10HA-N-H 3.576 58.987 8.462 -3811170 A5HA-N-H 4.191 63.359 8.504 -282374 A5HB-N-H 1.437 63.359 8.504 -337955 ?-?-? 1.777 66.317 8.526 -508570 E12HA-N-H 4.122 66.299 8.527 -4796681 A17HA-N-H 4.036 62.821 8.527 -6141450 A17HB-N-H 1.571 62.712 8.527 -13299414 E12HB2-N-H 2.263 66.283 8.527 -6659078 E12H-N-H 8.527 66.299 8.527 -62205468 A17H-N-H 8.527 62.821 8.527 -67908808 N11H-E12N-H 8.162 66.302 8.527 -4468516 K16H-A17N-H 7.977 62.821 8.527 -4600430 N11HA-E12N-H 4.491 66.301 8.527 -1177626 E12HG2-N-H 2.385 66.295 8.527 -1896648 E12HG3-N-H 2.017 66.297 8.527 -2023575 ?-?-? 4.215 66.300 8.527 -1817879 ?-?-? 2.901 66.302 8.527 -3040370 ?-?-? 2.808 66.294 8.527 -1784616 ?-?-? 1.521 66.316 8.527 -786394 ?-?-? 0.783 66.316 8.527 -641296 ?-?-? 8.666 66.299 8.527 -3922456 ?-?-? 8.125 62.714 8.527 -4316202 ?-?-? 1.909 62.713 8.527 -3627069 ?-?-? 1.781 62.722 8.527 -993389 ?-?-? 1.295 62.718 8.527 -1879015 ?-?-? 0.826 62.710 8.527 -2685044 A15HA-A17N-H 4.173 62.821 8.527 -511419 E12HB3-N-H 2.185 66.283 8.528 -6809923 A14HA-A17N-H 4.073 62.821 8.528 -5003665 ?-?-? 7.785 62.686 8.528 -527946 ?-?-? 7.664 62.680 8.529 -740614 Y37HA-N-H 4.165 57.452 8.578 -3391580 Y37HB2-N-H 3.254 57.440 8.578 -4696694 Y37HB3-N-H 3.029 57.438 8.578 -4695374 Y37H-N-H 8.578 57.435 8.578 -40362888 E36H-Y37N-H 7.938 57.435 8.578 -3367100 E36HA-Y37N-H 4.018 57.445 8.578 -2447541 Y37HD1-N-H 7.024 57.425 8.578 -749012 ?-?-? 8.230 57.443 8.578 -2700193 ?-?-? 2.183 57.441 8.578 -2451352 ?-?-? 1.886 57.404 8.578 -894197 ?-?-? 2.102 57.414 8.578 -1775315 ?-?-? 0.874 57.449 8.578 -1032254 ?-?-? 0.684 57.450 8.578 -632410 ?-?-? 0.953 57.414 8.578 -597989 ?-?-? 2.454 57.425 8.579 -375919 ?-?-? 3.975 55.784 8.615 -643397 ?-?-? 2.391 55.756 8.615 -436343 ?-?-? 2.198 55.773 8.615 -709997 ?-?-? 7.870 55.780 8.615 -798740 L33HB3-N-H 1.357 55.789 8.616 -2294785 L33H-N-H 8.615 55.784 8.616 -51765504 K32H-L33N-H 7.739 55.779 8.616 -4111544 ?-?-? 3.808 55.772 8.616 -1169433 ?-?-? 8.410 55.791 8.616 -3286489 K32HB3-L33N-H 1.990 55.779 8.616 -5406331 L33HA-N-H 4.153 55.838 8.617 -3501182 L33HB2-N-H 1.918 55.838 8.617 -10600331 K32HA-L33N-H 4.096 55.838 8.617 -1830148 L33HG-N-H 1.904 55.838 8.617 -10600331 L33HD1-N-H 0.922 55.838 8.617 -2204371 L33HD2-N-H 0.964 55.838 8.617 -2222138 K32HB2-L33N-H 2.020 55.779 8.617 -4565784 I22HG13-K27N-H 1.607 58.743 8.657 -2737010 K27H-N-H 8.658 58.720 8.658 -63455356 E26H-K27N-H 7.839 58.719 8.658 -3930728 E26HA-K27N-H 4.094 58.743 8.658 -1216094 ?-?-? 9.101 58.685 8.658 -627213 ?-?-? 8.897 58.692 8.658 -711843 ?-?-? 7.647 58.724 8.658 -4731055 ?-?-? 2.455 58.716 8.658 -2210297 ?-?-? 0.817 58.728 8.658 -1609598 I22HG12-K27N-H 1.786 58.743 8.658 -1510259 K27HA-N-H 3.964 58.742 8.659 -5878058 K27HB2-N-H 1.951 58.742 8.659 -7171036 K27HB3-N-H 1.903 58.742 8.659 -5803843 K27HG3-N-H 1.397 58.742 8.659 -1581652 K27HD2-N-H 1.664 58.742 8.659 -7079129 ?-?-? 2.072 58.742 8.659 -1032694 L13HA-N-H 3.951 54.388 8.666 -2633932 L13HB2-N-H 1.942 54.391 8.666 -4692519 L13HB3-N-H 1.201 54.397 8.666 -2236054 L13H-N-H 8.665 54.391 8.666 -49701812 E12H-L13N-H 8.528 54.384 8.666 -3377460 E12HA-L13N-H 4.117 54.393 8.666 -1201795 L13HG-N-H 1.774 54.389 8.666 -6309846 ?-?-? 1.533 54.391 8.666 -1140556 ?-?-? 2.258 54.390 8.666 -3465670 ?-?-? 2.199 54.429 8.666 -1899998 ?-?-? 2.383 54.387 8.666 -831109 ?-?-? 3.580 54.379 8.666 -1033072 ?-?-? 3.460 54.404 8.666 -403154 ?-?-? 4.223 54.425 8.666 -601761 ?-?-? 8.328 54.392 8.666 -3447882 L13HD1-N-H 0.779 54.429 8.667 -2791626 L13HD2-N-H 0.749 54.429 8.667 -2529618 ?-?-? 7.792 54.378 8.667 -459628 ?-?-? 4.488 54.379 8.667 -329971 ?-?-? 8.161 54.270 8.668 -401482 S3HA-N4N-H 4.423 57.455 8.830 -444373 N4HB3-N-H 2.841 57.364 8.832 -260145 Q30HB2-N-H 2.398 54.106 8.891 -6354287 Q30HB3-N-H 2.092 54.106 8.891 -6696504 E29H-Q30N-H 7.915 54.106 8.891 -6302030 Q30HG2-N-H 2.358 54.106 8.891 -5073044 Q30HG3-N-H 2.185 54.106 8.891 -1895410 Q30HE21-N-H 7.659 54.106 8.891 -605297 ?-?-? 7.871 54.106 8.891 -5758283 Q30HA-N-H 3.809 54.067 8.892 -3632748 Q30H-N-H 8.891 54.065 8.892 -55374768 E29HA-Q30N-H 3.971 54.065 8.892 -2702941 ?-?-? 4.087 54.087 8.892 -1125839 ?-?-? 1.942 54.070 8.892 -820462 ?-?-? 1.541 54.080 8.892 -485285 ?-?-? 0.922 54.060 8.892 -482783 ?-?-? 0.781 54.062 8.892 -3263849 E29HB2-Q30N-H 2.259 54.066 8.892 -3475506 E29HB3-Q30N-H 2.046 54.065 8.892 -3625338 K27H-Q30N-H 8.665 54.082 8.892 -603230 E25HA-N-H 4.120 57.203 8.916 -4562966 E25HB2-N-H 2.063 57.203 8.916 -10058915 E25H-N-H 8.916 57.202 8.916 -60160488 E24HA-E25N-H 3.972 57.212 8.916 -1247836 ?-?-? 1.535 57.198 8.916 -439542 ?-?-? 4.598 56.994 8.916 -762676 ?-?-? 7.837 57.203 8.916 -3738530 T23HB-E25N-H 4.789 57.213 8.916 -6334692 K27H-E25N-H 8.668 57.168 8.916 -507568 E25HB3-N-H 1.973 57.173 8.917 -3690148 E24H-E25N-H 9.011 57.173 8.917 -1285252 E25HG2-N-H 2.414 57.173 8.917 -1908383 E25HG3-N-H 2.318 57.173 8.917 -1852113 ?-?-? 1.324 57.202 8.917 -720258 ?-?-? 1.655 56.294 9.010 -466452 E24HA-N-H 3.965 56.295 9.011 -3887986 E24HB2-N-H 2.100 56.295 9.011 -4891302 E24HB3-N-H 2.069 56.295 9.011 -7281634 E24H-N-H 9.011 56.295 9.011 -41483272 T23HA-E24N-H 4.597 56.295 9.011 -7244826 E24HG2-N-H 2.421 56.295 9.011 -4306748 E24HG3-N-H 2.402 56.295 9.011 -4788175 ?-?-? 1.325 56.279 9.011 -1734867 ?-?-? 4.795 56.284 9.011 -11293865 ?-?-? 8.906 56.295 9.011 -1915353 I22H-T23N-H 6.842 55.987 9.100 -348499 ?-?-? 7.836 56.002 9.101 -909943 E26HG3-T23N-H 2.068 56.023 9.101 -691365 E26HB3-T23N-H 1.737 55.833 9.101 -3014371 I22HG12-T23N-H 1.784 55.971 9.101 -4327006 T23HA-N-H 4.597 55.906 9.102 -2455257 T23HB-N-H 4.793 56.015 9.102 -1232499 T23H-N-H 9.100 55.969 9.102 -35519844 I22HA-T23N-H 4.353 55.968 9.102 -7959422 T23HG2-N-H 1.322 55.970 9.102 -6909192 E26HB2-T23N-H 2.460 55.968 9.102 -4803635 I22HG13-T23N-H 1.629 55.965 9.102 -3015710 ?-?-? 0.805 55.961 9.102 -1460193 E26HA-T23N-H 4.072 55.937 9.102 -409300 E26HG2-T23N-H 2.359 55.970 9.102 -927106 ?-?-? 8.660 55.995 9.103 -515233 ?-?-? 0.863 55.961 9.103 -1294761 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 . . . . . . 15476 2 2 N 15 . . . . . . 15476 2 3 H 1 . . . . . . 15476 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 10 $SPARKY . . 15476 2 stop_ save_