data_15281 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15281 _Entry.Title ; Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics target CcR55. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-05 _Entry.Accession_date 2007-06-05 _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. . 15281 2 Paolo Rossi . . . 15281 3 Hunter Moseley . N.B. . 15281 4 Dongyan Wang . . . 15281 5 Chioma Nwosu . . . 15281 6 Kellie Cunningham . . . 15281 7 Li-Chung Ma . . . 15281 8 Rong Xiao . . . 15281 9 Jinfeng Liu . . . 15281 10 Micheal Baran . C. . 15281 11 Gurla Swapna . V.T. . 15281 12 Thomas Acton . B. . 15281 13 Burkhard Rost . . . 15281 14 Gaetano Montelione . T. . 15281 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'solution NMR structure' . 15281 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15281 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 15281 '15N chemical shifts' 122 15281 '1H chemical shifts' 805 15281 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 . . 2010-09-28 2007-06-05 update author 'add peak lists' 15281 2 . . 2009-06-22 2007-06-05 update author 'add time domain data' 15281 1 . . 2007-08-16 2007-06-05 original author 'original release' 15281 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2o0q 'Xray crystal structure' 15281 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15281 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics target CcR55.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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. . 15281 1 2 Paolo Rossi . . . 15281 1 3 Hunter Moseley . N.B. . 15281 1 4 Dongyan Wang . . . 15281 1 5 Chioma Nwosu . . . 15281 1 6 Kellie Cunningham . . . 15281 1 7 Li-Chung Ma . . . 15281 1 8 Rong Xiao . . . 15281 1 9 Jinfeng Liu . . . 15281 1 10 Micheal Baran . C. . 15281 1 11 Gurla Swapna . V.T. . 15281 1 12 Thomas Acton . B. . 15281 1 13 Burkhard Rost . . . 15281 1 14 Gaetano Montelione . T. . 15281 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15281 _Assembly.ID 1 _Assembly.Name CcR55 _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CcR55 1 $CcR55 A . yes native no no . . . 15281 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CcR55 _Entity.Sf_category entity _Entity.Sf_framecode CcR55 _Entity.Entry_ID 15281 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CcR55 _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 ; MTLIYKILSRAEWDAAKAQG RFEGSAVDLADGFIHLSAGE QAQETAAKWFRGQANLVLLA VEAEPLGEDLKWEASRGGAR FPHLYRPLLVSEVTREADLD LDADGVPQLGDHLALEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 115-122 represent a non-native affinity purification tag (LEHHHHHH)' _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13533.255 _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 2JQN . "Solution Nmr Structure Of Cc0527 From Caulobacter Crescentus. Northeast Structural Genomics Target Ccr55" . . . . . 100.00 122 100.00 100.00 2.68e-80 . . . . 15281 1 2 no PDB 2O0P . "X-Ray Crystal Structure Of Protein Cc0527 (V27m L66M Double Mutant) From Caulobacter Crescentus. Northeast Structural Genomics" . . . . . 99.18 122 98.35 98.35 1.29e-77 . . . . 15281 1 3 no PDB 2O0Q . "X-Ray Crystal Structure Of Protein Cc0527 From Caulobacter Crescentus. Northeast Structural Genomics Consortium Target Ccr55" . . . . . 94.26 115 100.00 100.00 1.75e-74 . . . . 15281 1 4 no GB AAK22514 . "conserved hypothetical protein [Caulobacter crescentus CB15]" . . . . . 93.44 114 100.00 100.00 7.55e-74 . . . . 15281 1 5 no GB ACL94026 . "conserved hypothetical cytosolic protein [Caulobacter crescentus NA1000]" . . . . . 93.44 114 100.00 100.00 7.55e-74 . . . . 15281 1 6 no REF NP_419346 . "hypothetical protein CC_0527 [Caulobacter crescentus CB15]" . . . . . 93.44 114 100.00 100.00 7.55e-74 . . . . 15281 1 7 no REF WP_010918415 . "glutathione S-transferase [Caulobacter vibrioides]" . . . . . 93.44 114 100.00 100.00 7.55e-74 . . . . 15281 1 8 no REF YP_002515934 . "conserved hypothetical cytosolic protein [Caulobacter crescentus NA1000]" . . . . . 93.44 114 100.00 100.00 7.55e-74 . . . . 15281 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 . 15281 1 2 . THR . 15281 1 3 . LEU . 15281 1 4 . ILE . 15281 1 5 . TYR . 15281 1 6 . LYS . 15281 1 7 . ILE . 15281 1 8 . LEU . 15281 1 9 . SER . 15281 1 10 . ARG . 15281 1 11 . ALA . 15281 1 12 . GLU . 15281 1 13 . TRP . 15281 1 14 . ASP . 15281 1 15 . ALA . 15281 1 16 . ALA . 15281 1 17 . LYS . 15281 1 18 . ALA . 15281 1 19 . GLN . 15281 1 20 . GLY . 15281 1 21 . ARG . 15281 1 22 . PHE . 15281 1 23 . GLU . 15281 1 24 . GLY . 15281 1 25 . SER . 15281 1 26 . ALA . 15281 1 27 . VAL . 15281 1 28 . ASP . 15281 1 29 . LEU . 15281 1 30 . ALA . 15281 1 31 . ASP . 15281 1 32 . GLY . 15281 1 33 . PHE . 15281 1 34 . ILE . 15281 1 35 . HIS . 15281 1 36 . LEU . 15281 1 37 . SER . 15281 1 38 . ALA . 15281 1 39 . GLY . 15281 1 40 . GLU . 15281 1 41 . GLN . 15281 1 42 . ALA . 15281 1 43 . GLN . 15281 1 44 . GLU . 15281 1 45 . THR . 15281 1 46 . ALA . 15281 1 47 . ALA . 15281 1 48 . LYS . 15281 1 49 . TRP . 15281 1 50 . PHE . 15281 1 51 . ARG . 15281 1 52 . GLY . 15281 1 53 . GLN . 15281 1 54 . ALA . 15281 1 55 . ASN . 15281 1 56 . LEU . 15281 1 57 . VAL . 15281 1 58 . LEU . 15281 1 59 . LEU . 15281 1 60 . ALA . 15281 1 61 . VAL . 15281 1 62 . GLU . 15281 1 63 . ALA . 15281 1 64 . GLU . 15281 1 65 . PRO . 15281 1 66 . LEU . 15281 1 67 . GLY . 15281 1 68 . GLU . 15281 1 69 . ASP . 15281 1 70 . LEU . 15281 1 71 . LYS . 15281 1 72 . TRP . 15281 1 73 . GLU . 15281 1 74 . ALA . 15281 1 75 . SER . 15281 1 76 . ARG . 15281 1 77 . GLY . 15281 1 78 . GLY . 15281 1 79 . ALA . 15281 1 80 . ARG . 15281 1 81 . PHE . 15281 1 82 . PRO . 15281 1 83 . HIS . 15281 1 84 . LEU . 15281 1 85 . TYR . 15281 1 86 . ARG . 15281 1 87 . PRO . 15281 1 88 . LEU . 15281 1 89 . LEU . 15281 1 90 . VAL . 15281 1 91 . SER . 15281 1 92 . GLU . 15281 1 93 . VAL . 15281 1 94 . THR . 15281 1 95 . ARG . 15281 1 96 . GLU . 15281 1 97 . ALA . 15281 1 98 . ASP . 15281 1 99 . LEU . 15281 1 100 . ASP . 15281 1 101 . LEU . 15281 1 102 . ASP . 15281 1 103 . ALA . 15281 1 104 . ASP . 15281 1 105 . GLY . 15281 1 106 . VAL . 15281 1 107 . PRO . 15281 1 108 . GLN . 15281 1 109 . LEU . 15281 1 110 . GLY . 15281 1 111 . ASP . 15281 1 112 . HIS . 15281 1 113 . LEU . 15281 1 114 . ALA . 15281 1 115 . LEU . 15281 1 116 . GLU . 15281 1 117 . HIS . 15281 1 118 . HIS . 15281 1 119 . HIS . 15281 1 120 . HIS . 15281 1 121 . HIS . 15281 1 122 . HIS . 15281 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 15281 1 . THR 2 2 15281 1 . LEU 3 3 15281 1 . ILE 4 4 15281 1 . TYR 5 5 15281 1 . LYS 6 6 15281 1 . ILE 7 7 15281 1 . LEU 8 8 15281 1 . SER 9 9 15281 1 . ARG 10 10 15281 1 . ALA 11 11 15281 1 . GLU 12 12 15281 1 . TRP 13 13 15281 1 . ASP 14 14 15281 1 . ALA 15 15 15281 1 . ALA 16 16 15281 1 . LYS 17 17 15281 1 . ALA 18 18 15281 1 . GLN 19 19 15281 1 . GLY 20 20 15281 1 . ARG 21 21 15281 1 . PHE 22 22 15281 1 . GLU 23 23 15281 1 . GLY 24 24 15281 1 . SER 25 25 15281 1 . ALA 26 26 15281 1 . VAL 27 27 15281 1 . ASP 28 28 15281 1 . LEU 29 29 15281 1 . ALA 30 30 15281 1 . ASP 31 31 15281 1 . GLY 32 32 15281 1 . PHE 33 33 15281 1 . ILE 34 34 15281 1 . HIS 35 35 15281 1 . LEU 36 36 15281 1 . SER 37 37 15281 1 . ALA 38 38 15281 1 . GLY 39 39 15281 1 . GLU 40 40 15281 1 . GLN 41 41 15281 1 . ALA 42 42 15281 1 . GLN 43 43 15281 1 . GLU 44 44 15281 1 . THR 45 45 15281 1 . ALA 46 46 15281 1 . ALA 47 47 15281 1 . LYS 48 48 15281 1 . TRP 49 49 15281 1 . PHE 50 50 15281 1 . ARG 51 51 15281 1 . GLY 52 52 15281 1 . GLN 53 53 15281 1 . ALA 54 54 15281 1 . ASN 55 55 15281 1 . LEU 56 56 15281 1 . VAL 57 57 15281 1 . LEU 58 58 15281 1 . LEU 59 59 15281 1 . ALA 60 60 15281 1 . VAL 61 61 15281 1 . GLU 62 62 15281 1 . ALA 63 63 15281 1 . GLU 64 64 15281 1 . PRO 65 65 15281 1 . LEU 66 66 15281 1 . GLY 67 67 15281 1 . GLU 68 68 15281 1 . ASP 69 69 15281 1 . LEU 70 70 15281 1 . LYS 71 71 15281 1 . TRP 72 72 15281 1 . GLU 73 73 15281 1 . ALA 74 74 15281 1 . SER 75 75 15281 1 . ARG 76 76 15281 1 . GLY 77 77 15281 1 . GLY 78 78 15281 1 . ALA 79 79 15281 1 . ARG 80 80 15281 1 . PHE 81 81 15281 1 . PRO 82 82 15281 1 . HIS 83 83 15281 1 . LEU 84 84 15281 1 . TYR 85 85 15281 1 . ARG 86 86 15281 1 . PRO 87 87 15281 1 . LEU 88 88 15281 1 . LEU 89 89 15281 1 . VAL 90 90 15281 1 . SER 91 91 15281 1 . GLU 92 92 15281 1 . VAL 93 93 15281 1 . THR 94 94 15281 1 . ARG 95 95 15281 1 . GLU 96 96 15281 1 . ALA 97 97 15281 1 . ASP 98 98 15281 1 . LEU 99 99 15281 1 . ASP 100 100 15281 1 . LEU 101 101 15281 1 . ASP 102 102 15281 1 . ALA 103 103 15281 1 . ASP 104 104 15281 1 . GLY 105 105 15281 1 . VAL 106 106 15281 1 . PRO 107 107 15281 1 . GLN 108 108 15281 1 . LEU 109 109 15281 1 . GLY 110 110 15281 1 . ASP 111 111 15281 1 . HIS 112 112 15281 1 . LEU 113 113 15281 1 . ALA 114 114 15281 1 . LEU 115 115 15281 1 . GLU 116 116 15281 1 . HIS 117 117 15281 1 . HIS 118 118 15281 1 . HIS 119 119 15281 1 . HIS 120 120 15281 1 . HIS 121 121 15281 1 . HIS 122 122 15281 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 15281 _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 $CcR55 . 155892 organism . 'Caulobacter crescentus' 'Caulobacter crescentus' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . . . . CC0527 . . . . 15281 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 15281 _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 $CcR55 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)MGK . . . . . . . . . . . . . . . CcR55-21.3 . . . ; C-terminal tag: LEHHHHHH The protein is a monomer by gel filtration chromatography and static light scattering ; . . 15281 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15281 _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 CcR55 '[U-100% 13C; U-100% 15N]' . . 1 $CcR55 . . 0.98 . . mM . . . . 15281 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15281 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15281 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15281 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15281 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15281 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15281 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 CcR55 '[U-100% 13C; U-100% 15N]' . . 1 $CcR55 . . 0.98 . . mM . . . . 15281 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15281 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15281 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15281 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15281 2 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15281 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15281 _Sample.ID 3 _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 CcR55 '[U-5% 13C; U-100% 15N]' . . 1 $CcR55 . . 0.58 . . mM . . . . 15281 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15281 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15281 3 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15281 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15281 3 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15281 3 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 15281 _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 15281 1 pH 6.5 . pH 15281 1 pressure 1 . atm 15281 1 temperature 293 . K 15281 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15281 _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' . . 15281 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15281 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15281 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15281 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15281 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15281 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15281 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15281 3 'peak picking' 15281 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15281 _Software.ID 4 _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' . . 15281 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15281 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15281 _Software.ID 5 _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' . . 15281 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15281 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15281 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15281 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15281 6 'structure solution' 15281 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15281 _Software.ID 7 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15281 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15281 7 'structure solution' 15281 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15281 _Software.ID 8 _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' . . 15281 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15281 8 stop_ save_ save_PdbStat _Software.Sf_category software _Software.Sf_framecode PdbStat _Software.Entry_ID 15281 _Software.ID 9 _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' . . 15281 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PDB analysis' 15281 9 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15281 _Software.ID 10 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15281 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15281 10 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 15281 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15281 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details TXI _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15281 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15281 _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 Varian INOVA . 600 . . . 15281 1 2 spectrometer_2 Bruker Avance . 600 TXI . . 15281 1 3 spectrometer_3 Bruker Avance . 800 cryoprobe . . 15281 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 15281 _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 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 2 '2D 1H-13C HSQC (aliph)' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 3 '3D 1H-15N NOESY' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 4 '3D 1H-13C NOESY (aliph)' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 5 '3D 1H-13C NOESY aromatic' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 7 '3D HNCO' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 8 '3D HN(CA)CO' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 9 '3D HN(CO)CA' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 10 '3D HNCA' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 11 '3D GFT HNNCACBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15281 1 12 '3D GFT CACB(CO)NHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15281 1 13 '3D GFT HAHBCACB(CO)NHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15281 1 14 '3D HCCH-TOCSY' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15281 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15281 1 16 '3D CCH-TOCSY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15281 1 17 '3D HNHA' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15281 1 18 '2D 1H-13C HSQC high res.' yes 13 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15281 1 19 '2D 1H-13C HSQC (arom)' yes 14 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15281 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.5029_CcR55_hsqcetf3gpsi.fid/' . . . . . . . 15281 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.5029_CcR55_hsqcetf3gpsi.fid/' . . . . . . . 15281 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.5029_CcR55_hsqcetf3gpsi.fid/' . . . . . . . 15281 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.5029_CcR55_hsqcetf3gpsi.fid/' . . . . . . . 15281 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.6911_CcR55_hsqcetgp.fid/' . . . . . . . 15281 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.6911_CcR55_hsqcetgp.fid/' . . . . . . . 15281 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.6911_CcR55_hsqcetgp.fid/' . . . . . . . 15281 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.6911_CcR55_hsqcetgp.fid/' . . . . . . . 15281 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.8087_CcR55_noesyhsqcetf3gp3d.fid/' . . . . . . . 15281 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.8087_CcR55_noesyhsqcetf3gp3d.fid/' . . . . . . . 15281 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.8087_CcR55_noesyhsqcetf3gp3d.fid/' . . . . . . . 15281 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.8087_CcR55_noesyhsqcetf3gp3d.fid/' . . . . . . . 15281 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-13C NOESY (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4221_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4221_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4221_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4221_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-13C NOESY aromatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4496_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4496_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4496_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4496_CcR55_noesyhsqcetgp3d_arom.fid/' . . . . . . . 15281 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3434_CcR55_hncogp3d.fid/' . . . . . . . 15281 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3434_CcR55_hncogp3d.fid/' . . . . . . . 15281 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3434_CcR55_hncogp3d.fid/' . . . . . . . 15281 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3434_CcR55_hncogp3d.fid/' . . . . . . . 15281 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4114_CcR55_hncacogp3d.fid/' . . . . . . . 15281 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4114_CcR55_hncacogp3d.fid/' . . . . . . . 15281 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4114_CcR55_hncacogp3d.fid/' . . . . . . . 15281 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.4114_CcR55_hncacogp3d.fid/' . . . . . . . 15281 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3853_CcR55_hncocagp3d.fid/' . . . . . . . 15281 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3853_CcR55_hncocagp3d.fid/' . . . . . . . 15281 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3853_CcR55_hncocagp3d.fid/' . . . . . . . 15281 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.3853_CcR55_hncocagp3d.fid/' . . . . . . . 15281 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.687_CcR55_hncagp3d.fid/' . . . . . . . 15281 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.687_CcR55_hncagp3d.fid/' . . . . . . . 15281 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.687_CcR55_hncagp3d.fid/' . . . . . . . 15281 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.687_CcR55_hncagp3d.fid/' . . . . . . . 15281 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.9171_CcR55_hcchdigp3d.fid/' . . . . . . . 15281 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.9171_CcR55_hcchdigp3d.fid/' . . . . . . . 15281 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.9171_CcR55_hcchdigp3d.fid/' . . . . . . . 15281 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.9171_CcR55_hcchdigp3d.fid/' . . . . . . . 15281 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.996_CcR55_hcchdigp3d2.fid/' . . . . . . . 15281 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.996_CcR55_hcchdigp3d2.fid/' . . . . . . . 15281 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.996_CcR55_hcchdigp3d2.fid/' . . . . . . . 15281 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.996_CcR55_hcchdigp3d2.fid/' . . . . . . . 15281 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1606_CcR55_hnhagp3d.fid/' . . . . . . . 15281 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1606_CcR55_hnhagp3d.fid/' . . . . . . . 15281 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1606_CcR55_hnhagp3d.fid/' . . . . . . . 15281 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1606_CcR55_hnhagp3d.fid/' . . . . . . . 15281 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 1H-13C HSQC high res.' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.7649_CcR55_hsqcetgp.fid/' . . . . . . . 15281 13 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.7649_CcR55_hsqcetgp.fid/' . . . . . . . 15281 13 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.7649_CcR55_hsqcetgp.fid/' . . . . . . . 15281 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.7649_CcR55_hsqcetgp.fid/' . . . . . . . 15281 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 15281 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-13C HSQC (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1008_CcR55_hsqcetgp.fid/' . . . . . . . 15281 14 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1008_CcR55_hsqcetgp.fid/' . . . . . . . 15281 14 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1008_CcR55_hsqcetgp.fid/' . . . . . . . 15281 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15281/timedomain_data/JMA.I.1008_CcR55_hsqcetgp.fid/' . . . . . . . 15281 14 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 15281 _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 external indirect 0.251449530 . . . . . . . . . 15281 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15281 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15281 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 15281 _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 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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' . . . 15281 1 2 '2D 1H-13C HSQC (aliph)' . . . 15281 1 3 '3D 1H-15N NOESY' . . . 15281 1 4 '3D 1H-13C NOESY (aliph)' . . . 15281 1 7 '3D HNCO' . . . 15281 1 8 '3D HN(CA)CO' . . . 15281 1 9 '3D HN(CO)CA' . . . 15281 1 10 '3D HNCA' . . . 15281 1 11 '3D GFT HNNCACBCA' . . . 15281 1 12 '3D GFT CACB(CO)NHN' . . . 15281 1 13 '3D GFT HAHBCACB(CO)NHN' . . . 15281 1 14 '3D HCCH-TOCSY' . . . 15281 1 15 '3D HCCH-COSY' . . . 15281 1 16 '3D CCH-TOCSY' . . . 15281 1 17 '3D HNHA' . . . 15281 1 18 '2D 1H-13C HSQC high res.' . . . 15281 1 19 '2D 1H-13C HSQC (arom)' . . . 15281 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 1 $TOPSPIN . . 15281 1 2 $AutoAssign . . 15281 1 3 $SPARKY . . 15281 1 5 $NMRPipe . . 15281 1 10 $VNMR . . 15281 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 HB2 H 1 2.652 0.02 . 2 . . . . 1 MET HB2 . 15281 1 2 . 1 1 1 1 MET HB3 H 1 2.574 0.02 . 2 . . . . 1 MET HB3 . 15281 1 3 . 1 1 1 1 MET HE1 H 1 2.062 0.02 . 1 . . . . 1 MET HE . 15281 1 4 . 1 1 1 1 MET HE2 H 1 2.062 0.02 . 1 . . . . 1 MET HE . 15281 1 5 . 1 1 1 1 MET HE3 H 1 2.062 0.02 . 1 . . . . 1 MET HE . 15281 1 6 . 1 1 1 1 MET HG2 H 1 2.163 0.02 . 2 . . . . 1 MET HG2 . 15281 1 7 . 1 1 1 1 MET HG3 H 1 2.132 0.02 . 2 . . . . 1 MET HG3 . 15281 1 8 . 1 1 1 1 MET CA C 13 55.065 0.15 . 1 . . . . 1 MET CA . 15281 1 9 . 1 1 1 1 MET CB C 13 31.572 0.15 . 1 . . . . 1 MET CB . 15281 1 10 . 1 1 1 1 MET CE C 13 17.175 0.15 . 1 . . . . 1 MET CE . 15281 1 11 . 1 1 1 1 MET CG C 13 33.129 0.15 . 1 . . . . 1 MET CG . 15281 1 12 . 1 1 2 2 THR HA H 1 3.833 0.02 . 1 . . . . 2 THR HA . 15281 1 13 . 1 1 2 2 THR HB H 1 4.294 0.02 . 1 . . . . 2 THR HB . 15281 1 14 . 1 1 2 2 THR HG21 H 1 1.377 0.02 . 1 . . . . 2 THR HG2 . 15281 1 15 . 1 1 2 2 THR HG22 H 1 1.377 0.02 . 1 . . . . 2 THR HG2 . 15281 1 16 . 1 1 2 2 THR HG23 H 1 1.377 0.02 . 1 . . . . 2 THR HG2 . 15281 1 17 . 1 1 2 2 THR C C 13 170.665 0.15 . 1 . . . . 2 THR C . 15281 1 18 . 1 1 2 2 THR CA C 13 62.154 0.15 . 1 . . . . 2 THR CA . 15281 1 19 . 1 1 2 2 THR CB C 13 69.580 0.15 . 1 . . . . 2 THR CB . 15281 1 20 . 1 1 2 2 THR CG2 C 13 20.909 0.15 . 1 . . . . 2 THR CG2 . 15281 1 21 . 1 1 3 3 LEU H H 1 9.068 0.02 . 1 . . . . 3 LEU H . 15281 1 22 . 1 1 3 3 LEU HA H 1 4.887 0.02 . 1 . . . . 3 LEU HA . 15281 1 23 . 1 1 3 3 LEU HB2 H 1 1.767 0.02 . 2 . . . . 3 LEU HB2 . 15281 1 24 . 1 1 3 3 LEU HB3 H 1 0.762 0.02 . 2 . . . . 3 LEU HB3 . 15281 1 25 . 1 1 3 3 LEU HD11 H 1 0.840 0.02 . 1 . . . . 3 LEU HD1 . 15281 1 26 . 1 1 3 3 LEU HD12 H 1 0.840 0.02 . 1 . . . . 3 LEU HD1 . 15281 1 27 . 1 1 3 3 LEU HD13 H 1 0.840 0.02 . 1 . . . . 3 LEU HD1 . 15281 1 28 . 1 1 3 3 LEU HD21 H 1 0.619 0.02 . 1 . . . . 3 LEU HD2 . 15281 1 29 . 1 1 3 3 LEU HD22 H 1 0.619 0.02 . 1 . . . . 3 LEU HD2 . 15281 1 30 . 1 1 3 3 LEU HD23 H 1 0.619 0.02 . 1 . . . . 3 LEU HD2 . 15281 1 31 . 1 1 3 3 LEU HG H 1 1.619 0.02 . 1 . . . . 3 LEU HG . 15281 1 32 . 1 1 3 3 LEU C C 13 175.859 0.15 . 1 . . . . 3 LEU C . 15281 1 33 . 1 1 3 3 LEU CA C 13 54.426 0.15 . 1 . . . . 3 LEU CA . 15281 1 34 . 1 1 3 3 LEU CB C 13 43.222 0.15 . 1 . . . . 3 LEU CB . 15281 1 35 . 1 1 3 3 LEU CD1 C 13 25.928 0.15 . 1 . . . . 3 LEU CD1 . 15281 1 36 . 1 1 3 3 LEU CD2 C 13 23.342 0.15 . 1 . . . . 3 LEU CD2 . 15281 1 37 . 1 1 3 3 LEU CG C 13 26.616 0.15 . 1 . . . . 3 LEU CG . 15281 1 38 . 1 1 3 3 LEU N N 15 129.030 0.15 . 1 . . . . 3 LEU N . 15281 1 39 . 1 1 4 4 ILE H H 1 8.897 0.02 . 1 . . . . 4 ILE H . 15281 1 40 . 1 1 4 4 ILE HA H 1 4.753 0.02 . 1 . . . . 4 ILE HA . 15281 1 41 . 1 1 4 4 ILE HB H 1 1.680 0.02 . 1 . . . . 4 ILE HB . 15281 1 42 . 1 1 4 4 ILE HD11 H 1 0.555 0.02 . 1 . . . . 4 ILE HD1 . 15281 1 43 . 1 1 4 4 ILE HD12 H 1 0.555 0.02 . 1 . . . . 4 ILE HD1 . 15281 1 44 . 1 1 4 4 ILE HD13 H 1 0.555 0.02 . 1 . . . . 4 ILE HD1 . 15281 1 45 . 1 1 4 4 ILE HG12 H 1 1.090 0.02 . 2 . . . . 4 ILE HG12 . 15281 1 46 . 1 1 4 4 ILE HG13 H 1 1.091 0.02 . 2 . . . . 4 ILE HG13 . 15281 1 47 . 1 1 4 4 ILE HG21 H 1 0.927 0.02 . 1 . . . . 4 ILE HG2 . 15281 1 48 . 1 1 4 4 ILE HG22 H 1 0.927 0.02 . 1 . . . . 4 ILE HG2 . 15281 1 49 . 1 1 4 4 ILE HG23 H 1 0.927 0.02 . 1 . . . . 4 ILE HG2 . 15281 1 50 . 1 1 4 4 ILE C C 13 174.211 0.15 . 1 . . . . 4 ILE C . 15281 1 51 . 1 1 4 4 ILE CA C 13 59.998 0.15 . 1 . . . . 4 ILE CA . 15281 1 52 . 1 1 4 4 ILE CB C 13 41.129 0.15 . 1 . . . . 4 ILE CB . 15281 1 53 . 1 1 4 4 ILE CD1 C 13 15.918 0.15 . 1 . . . . 4 ILE CD1 . 15281 1 54 . 1 1 4 4 ILE CG1 C 13 24.360 0.15 . 1 . . . . 4 ILE CG1 . 15281 1 55 . 1 1 4 4 ILE CG2 C 13 18.723 0.15 . 1 . . . . 4 ILE CG2 . 15281 1 56 . 1 1 4 4 ILE N N 15 115.702 0.15 . 1 . . . . 4 ILE N . 15281 1 57 . 1 1 5 5 TYR H H 1 9.050 0.02 . 1 . . . . 5 TYR H . 15281 1 58 . 1 1 5 5 TYR HA H 1 5.770 0.02 . 1 . . . . 5 TYR HA . 15281 1 59 . 1 1 5 5 TYR HB2 H 1 2.823 0.02 . 2 . . . . 5 TYR HB2 . 15281 1 60 . 1 1 5 5 TYR HB3 H 1 2.413 0.02 . 2 . . . . 5 TYR HB3 . 15281 1 61 . 1 1 5 5 TYR HD1 H 1 6.852 0.02 . 1 . . . . 5 TYR HD1 . 15281 1 62 . 1 1 5 5 TYR HD2 H 1 6.852 0.02 . 1 . . . . 5 TYR HD2 . 15281 1 63 . 1 1 5 5 TYR HE1 H 1 6.583 0.02 . 1 . . . . 5 TYR HE1 . 15281 1 64 . 1 1 5 5 TYR HE2 H 1 6.583 0.02 . 1 . . . . 5 TYR HE2 . 15281 1 65 . 1 1 5 5 TYR C C 13 175.987 0.15 . 1 . . . . 5 TYR C . 15281 1 66 . 1 1 5 5 TYR CA C 13 57.923 0.15 . 1 . . . . 5 TYR CA . 15281 1 67 . 1 1 5 5 TYR CB C 13 42.963 0.15 . 1 . . . . 5 TYR CB . 15281 1 68 . 1 1 5 5 TYR CD1 C 13 132.618 0.15 . 1 . . . . 5 TYR CD1 . 15281 1 69 . 1 1 5 5 TYR CD2 C 13 132.618 0.15 . 1 . . . . 5 TYR CD2 . 15281 1 70 . 1 1 5 5 TYR CE1 C 13 117.633 0.15 . 1 . . . . 5 TYR CE1 . 15281 1 71 . 1 1 5 5 TYR CE2 C 13 117.633 0.15 . 1 . . . . 5 TYR CE2 . 15281 1 72 . 1 1 5 5 TYR N N 15 114.414 0.15 . 1 . . . . 5 TYR N . 15281 1 73 . 1 1 6 6 LYS H H 1 8.858 0.02 . 1 . . . . 6 LYS H . 15281 1 74 . 1 1 6 6 LYS HA H 1 4.813 0.02 . 1 . . . . 6 LYS HA . 15281 1 75 . 1 1 6 6 LYS HB2 H 1 1.623 0.02 . 2 . . . . 6 LYS HB2 . 15281 1 76 . 1 1 6 6 LYS HB3 H 1 1.463 0.02 . 2 . . . . 6 LYS HB3 . 15281 1 77 . 1 1 6 6 LYS HD2 H 1 2.438 0.02 . 2 . . . . 6 LYS HD2 . 15281 1 78 . 1 1 6 6 LYS HD3 H 1 1.743 0.02 . 2 . . . . 6 LYS HD3 . 15281 1 79 . 1 1 6 6 LYS HE2 H 1 3.264 0.02 . 2 . . . . 6 LYS HE2 . 15281 1 80 . 1 1 6 6 LYS HE3 H 1 3.095 0.02 . 2 . . . . 6 LYS HE3 . 15281 1 81 . 1 1 6 6 LYS HG2 H 1 1.086 0.02 . 2 . . . . 6 LYS HG2 . 15281 1 82 . 1 1 6 6 LYS HG3 H 1 1.014 0.02 . 2 . . . . 6 LYS HG3 . 15281 1 83 . 1 1 6 6 LYS C C 13 172.801 0.15 . 1 . . . . 6 LYS C . 15281 1 84 . 1 1 6 6 LYS CA C 13 52.969 0.15 . 1 . . . . 6 LYS CA . 15281 1 85 . 1 1 6 6 LYS CB C 13 37.109 0.15 . 1 . . . . 6 LYS CB . 15281 1 86 . 1 1 6 6 LYS CD C 13 29.490 0.15 . 1 . . . . 6 LYS CD . 15281 1 87 . 1 1 6 6 LYS CE C 13 41.732 0.15 . 1 . . . . 6 LYS CE . 15281 1 88 . 1 1 6 6 LYS CG C 13 24.694 0.15 . 1 . . . . 6 LYS CG . 15281 1 89 . 1 1 6 6 LYS N N 15 121.597 0.15 . 1 . . . . 6 LYS N . 15281 1 90 . 1 1 7 7 ILE H H 1 8.277 0.02 . 1 . . . . 7 ILE H . 15281 1 91 . 1 1 7 7 ILE HA H 1 4.702 0.02 . 1 . . . . 7 ILE HA . 15281 1 92 . 1 1 7 7 ILE HB H 1 0.918 0.02 . 1 . . . . 7 ILE HB . 15281 1 93 . 1 1 7 7 ILE HD11 H 1 0.619 0.02 . 1 . . . . 7 ILE HD1 . 15281 1 94 . 1 1 7 7 ILE HD12 H 1 0.619 0.02 . 1 . . . . 7 ILE HD1 . 15281 1 95 . 1 1 7 7 ILE HD13 H 1 0.619 0.02 . 1 . . . . 7 ILE HD1 . 15281 1 96 . 1 1 7 7 ILE HG12 H 1 1.379 0.02 . 2 . . . . 7 ILE HG12 . 15281 1 97 . 1 1 7 7 ILE HG13 H 1 0.488 0.02 . 2 . . . . 7 ILE HG13 . 15281 1 98 . 1 1 7 7 ILE HG21 H 1 -0.165 0.02 . 1 . . . . 7 ILE HG2 . 15281 1 99 . 1 1 7 7 ILE HG22 H 1 -0.165 0.02 . 1 . . . . 7 ILE HG2 . 15281 1 100 . 1 1 7 7 ILE HG23 H 1 -0.165 0.02 . 1 . . . . 7 ILE HG2 . 15281 1 101 . 1 1 7 7 ILE C C 13 173.742 0.15 . 1 . . . . 7 ILE C . 15281 1 102 . 1 1 7 7 ILE CA C 13 60.340 0.15 . 1 . . . . 7 ILE CA . 15281 1 103 . 1 1 7 7 ILE CB C 13 38.941 0.15 . 1 . . . . 7 ILE CB . 15281 1 104 . 1 1 7 7 ILE CD1 C 13 14.670 0.15 . 1 . . . . 7 ILE CD1 . 15281 1 105 . 1 1 7 7 ILE CG1 C 13 28.802 0.15 . 1 . . . . 7 ILE CG1 . 15281 1 106 . 1 1 7 7 ILE CG2 C 13 18.147 0.15 . 1 . . . . 7 ILE CG2 . 15281 1 107 . 1 1 7 7 ILE N N 15 128.212 0.15 . 1 . . . . 7 ILE N . 15281 1 108 . 1 1 8 8 LEU H H 1 8.627 0.02 . 1 . . . . 8 LEU H . 15281 1 109 . 1 1 8 8 LEU HA H 1 4.757 0.02 . 1 . . . . 8 LEU HA . 15281 1 110 . 1 1 8 8 LEU HB2 H 1 1.753 0.02 . 2 . . . . 8 LEU HB2 . 15281 1 111 . 1 1 8 8 LEU HB3 H 1 1.324 0.02 . 2 . . . . 8 LEU HB3 . 15281 1 112 . 1 1 8 8 LEU HD11 H 1 0.144 0.02 . 1 . . . . 8 LEU HD1 . 15281 1 113 . 1 1 8 8 LEU HD12 H 1 0.144 0.02 . 1 . . . . 8 LEU HD1 . 15281 1 114 . 1 1 8 8 LEU HD13 H 1 0.144 0.02 . 1 . . . . 8 LEU HD1 . 15281 1 115 . 1 1 8 8 LEU HD21 H 1 0.241 0.02 . 1 . . . . 8 LEU HD2 . 15281 1 116 . 1 1 8 8 LEU HD22 H 1 0.241 0.02 . 1 . . . . 8 LEU HD2 . 15281 1 117 . 1 1 8 8 LEU HD23 H 1 0.241 0.02 . 1 . . . . 8 LEU HD2 . 15281 1 118 . 1 1 8 8 LEU HG H 1 1.681 0.02 . 1 . . . . 8 LEU HG . 15281 1 119 . 1 1 8 8 LEU C C 13 173.661 0.15 . 1 . . . . 8 LEU C . 15281 1 120 . 1 1 8 8 LEU CA C 13 54.530 0.15 . 1 . . . . 8 LEU CA . 15281 1 121 . 1 1 8 8 LEU CB C 13 43.617 0.15 . 1 . . . . 8 LEU CB . 15281 1 122 . 1 1 8 8 LEU CD1 C 13 26.781 0.15 . 1 . . . . 8 LEU CD1 . 15281 1 123 . 1 1 8 8 LEU CD2 C 13 25.495 0.15 . 1 . . . . 8 LEU CD2 . 15281 1 124 . 1 1 8 8 LEU CG C 13 26.824 0.15 . 1 . . . . 8 LEU CG . 15281 1 125 . 1 1 8 8 LEU N N 15 126.590 0.15 . 1 . . . . 8 LEU N . 15281 1 126 . 1 1 9 9 SER H H 1 8.546 0.02 . 1 . . . . 9 SER H . 15281 1 127 . 1 1 9 9 SER HA H 1 4.765 0.02 . 1 . . . . 9 SER HA . 15281 1 128 . 1 1 9 9 SER HB2 H 1 4.503 0.02 . 2 . . . . 9 SER HB2 . 15281 1 129 . 1 1 9 9 SER HB3 H 1 4.151 0.02 . 2 . . . . 9 SER HB3 . 15281 1 130 . 1 1 9 9 SER C C 13 175.160 0.15 . 1 . . . . 9 SER C . 15281 1 131 . 1 1 9 9 SER CA C 13 58.520 0.15 . 1 . . . . 9 SER CA . 15281 1 132 . 1 1 9 9 SER CB C 13 65.227 0.15 . 1 . . . . 9 SER CB . 15281 1 133 . 1 1 9 9 SER N N 15 115.543 0.15 . 1 . . . . 9 SER N . 15281 1 134 . 1 1 10 10 ARG H H 1 9.080 0.02 . 1 . . . . 10 ARG H . 15281 1 135 . 1 1 10 10 ARG HA H 1 4.037 0.02 . 1 . . . . 10 ARG HA . 15281 1 136 . 1 1 10 10 ARG HB2 H 1 2.079 0.02 . 2 . . . . 10 ARG HB2 . 15281 1 137 . 1 1 10 10 ARG HB3 H 1 1.932 0.02 . 2 . . . . 10 ARG HB3 . 15281 1 138 . 1 1 10 10 ARG HD2 H 1 3.366 0.02 . 2 . . . . 10 ARG HD2 . 15281 1 139 . 1 1 10 10 ARG HD3 H 1 3.265 0.02 . 2 . . . . 10 ARG HD3 . 15281 1 140 . 1 1 10 10 ARG HE H 1 7.334 0.02 . 1 . . . . 10 ARG HE . 15281 1 141 . 1 1 10 10 ARG HG2 H 1 1.836 0.02 . 2 . . . . 10 ARG HG2 . 15281 1 142 . 1 1 10 10 ARG HG3 H 1 1.655 0.02 . 2 . . . . 10 ARG HG3 . 15281 1 143 . 1 1 10 10 ARG C C 13 177.847 0.15 . 1 . . . . 10 ARG C . 15281 1 144 . 1 1 10 10 ARG CA C 13 59.210 0.15 . 1 . . . . 10 ARG CA . 15281 1 145 . 1 1 10 10 ARG CB C 13 28.776 0.15 . 1 . . . . 10 ARG CB . 15281 1 146 . 1 1 10 10 ARG CD C 13 42.632 0.15 . 1 . . . . 10 ARG CD . 15281 1 147 . 1 1 10 10 ARG CG C 13 25.745 0.15 . 1 . . . . 10 ARG CG . 15281 1 148 . 1 1 10 10 ARG N N 15 123.688 0.15 . 1 . . . . 10 ARG N . 15281 1 149 . 1 1 10 10 ARG NE N 15 83.512 0.15 . 1 . . . . 10 ARG NE . 15281 1 150 . 1 1 11 11 ALA H H 1 8.753 0.02 . 1 . . . . 11 ALA H . 15281 1 151 . 1 1 11 11 ALA HA H 1 4.248 0.02 . 1 . . . . 11 ALA HA . 15281 1 152 . 1 1 11 11 ALA HB1 H 1 1.488 0.02 . 1 . . . . 11 ALA HB . 15281 1 153 . 1 1 11 11 ALA HB2 H 1 1.488 0.02 . 1 . . . . 11 ALA HB . 15281 1 154 . 1 1 11 11 ALA HB3 H 1 1.488 0.02 . 1 . . . . 11 ALA HB . 15281 1 155 . 1 1 11 11 ALA C C 13 181.848 0.15 . 1 . . . . 11 ALA C . 15281 1 156 . 1 1 11 11 ALA CA C 13 55.483 0.15 . 1 . . . . 11 ALA CA . 15281 1 157 . 1 1 11 11 ALA CB C 13 18.209 0.15 . 1 . . . . 11 ALA CB . 15281 1 158 . 1 1 11 11 ALA N N 15 119.698 0.15 . 1 . . . . 11 ALA N . 15281 1 159 . 1 1 12 12 GLU H H 1 7.957 0.02 . 1 . . . . 12 GLU H . 15281 1 160 . 1 1 12 12 GLU HA H 1 4.183 0.02 . 1 . . . . 12 GLU HA . 15281 1 161 . 1 1 12 12 GLU HB2 H 1 2.466 0.02 . 2 . . . . 12 GLU HB2 . 15281 1 162 . 1 1 12 12 GLU HB3 H 1 2.173 0.02 . 2 . . . . 12 GLU HB3 . 15281 1 163 . 1 1 12 12 GLU HG2 H 1 2.479 0.02 . 2 . . . . 12 GLU HG2 . 15281 1 164 . 1 1 12 12 GLU HG3 H 1 2.434 0.02 . 2 . . . . 12 GLU HG3 . 15281 1 165 . 1 1 12 12 GLU C C 13 179.576 0.15 . 1 . . . . 12 GLU C . 15281 1 166 . 1 1 12 12 GLU CA C 13 59.103 0.15 . 1 . . . . 12 GLU CA . 15281 1 167 . 1 1 12 12 GLU CB C 13 31.077 0.15 . 1 . . . . 12 GLU CB . 15281 1 168 . 1 1 12 12 GLU CG C 13 37.995 0.15 . 1 . . . . 12 GLU CG . 15281 1 169 . 1 1 12 12 GLU N N 15 118.210 0.15 . 1 . . . . 12 GLU N . 15281 1 170 . 1 1 13 13 TRP H H 1 8.585 0.02 . 1 . . . . 13 TRP H . 15281 1 171 . 1 1 13 13 TRP HA H 1 4.937 0.02 . 1 . . . . 13 TRP HA . 15281 1 172 . 1 1 13 13 TRP HB2 H 1 3.195 0.02 . 2 . . . . 13 TRP HB2 . 15281 1 173 . 1 1 13 13 TRP HB3 H 1 2.955 0.02 . 2 . . . . 13 TRP HB3 . 15281 1 174 . 1 1 13 13 TRP HD1 H 1 7.029 0.02 . 1 . . . . 13 TRP HD1 . 15281 1 175 . 1 1 13 13 TRP HE1 H 1 10.406 0.02 . 1 . . . . 13 TRP HE1 . 15281 1 176 . 1 1 13 13 TRP HE3 H 1 7.137 0.02 . 1 . . . . 13 TRP HE3 . 15281 1 177 . 1 1 13 13 TRP HH2 H 1 6.924 0.02 . 1 . . . . 13 TRP HH2 . 15281 1 178 . 1 1 13 13 TRP HZ2 H 1 7.336 0.02 . 1 . . . . 13 TRP HZ2 . 15281 1 179 . 1 1 13 13 TRP HZ3 H 1 6.474 0.02 . 1 . . . . 13 TRP HZ3 . 15281 1 180 . 1 1 13 13 TRP C C 13 176.827 0.15 . 1 . . . . 13 TRP C . 15281 1 181 . 1 1 13 13 TRP CA C 13 57.845 0.15 . 1 . . . . 13 TRP CA . 15281 1 182 . 1 1 13 13 TRP CB C 13 31.010 0.15 . 1 . . . . 13 TRP CB . 15281 1 183 . 1 1 13 13 TRP CD1 C 13 126.972 0.15 . 1 . . . . 13 TRP CD1 . 15281 1 184 . 1 1 13 13 TRP CE3 C 13 122.786 0.15 . 1 . . . . 13 TRP CE3 . 15281 1 185 . 1 1 13 13 TRP CH2 C 13 124.353 0.15 . 1 . . . . 13 TRP CH2 . 15281 1 186 . 1 1 13 13 TRP CZ2 C 13 114.514 0.15 . 1 . . . . 13 TRP CZ2 . 15281 1 187 . 1 1 13 13 TRP CZ3 C 13 119.949 0.15 . 1 . . . . 13 TRP CZ3 . 15281 1 188 . 1 1 13 13 TRP N N 15 123.646 0.15 . 1 . . . . 13 TRP N . 15281 1 189 . 1 1 13 13 TRP NE1 N 15 129.669 0.15 . 1 . . . . 13 TRP NE1 . 15281 1 190 . 1 1 14 14 ASP H H 1 9.260 0.02 . 1 . . . . 14 ASP H . 15281 1 191 . 1 1 14 14 ASP HA H 1 4.048 0.02 . 1 . . . . 14 ASP HA . 15281 1 192 . 1 1 14 14 ASP HB2 H 1 2.657 0.02 . 2 . . . . 14 ASP HB2 . 15281 1 193 . 1 1 14 14 ASP HB3 H 1 2.479 0.02 . 2 . . . . 14 ASP HB3 . 15281 1 194 . 1 1 14 14 ASP C C 13 180.120 0.15 . 1 . . . . 14 ASP C . 15281 1 195 . 1 1 14 14 ASP CA C 13 57.767 0.15 . 1 . . . . 14 ASP CA . 15281 1 196 . 1 1 14 14 ASP CB C 13 39.467 0.15 . 1 . . . . 14 ASP CB . 15281 1 197 . 1 1 14 14 ASP N N 15 120.253 0.15 . 1 . . . . 14 ASP N . 15281 1 198 . 1 1 15 15 ALA H H 1 7.599 0.02 . 1 . . . . 15 ALA H . 15281 1 199 . 1 1 15 15 ALA HA H 1 4.163 0.02 . 1 . . . . 15 ALA HA . 15281 1 200 . 1 1 15 15 ALA HB1 H 1 1.540 0.02 . 1 . . . . 15 ALA HB . 15281 1 201 . 1 1 15 15 ALA HB2 H 1 1.540 0.02 . 1 . . . . 15 ALA HB . 15281 1 202 . 1 1 15 15 ALA HB3 H 1 1.540 0.02 . 1 . . . . 15 ALA HB . 15281 1 203 . 1 1 15 15 ALA C C 13 180.115 0.15 . 1 . . . . 15 ALA C . 15281 1 204 . 1 1 15 15 ALA CA C 13 55.016 0.15 . 1 . . . . 15 ALA CA . 15281 1 205 . 1 1 15 15 ALA CB C 13 17.871 0.15 . 1 . . . . 15 ALA CB . 15281 1 206 . 1 1 15 15 ALA N N 15 122.164 0.15 . 1 . . . . 15 ALA N . 15281 1 207 . 1 1 16 16 ALA H H 1 7.944 0.02 . 1 . . . . 16 ALA H . 15281 1 208 . 1 1 16 16 ALA HA H 1 4.334 0.02 . 1 . . . . 16 ALA HA . 15281 1 209 . 1 1 16 16 ALA HB1 H 1 1.585 0.02 . 1 . . . . 16 ALA HB . 15281 1 210 . 1 1 16 16 ALA HB2 H 1 1.585 0.02 . 1 . . . . 16 ALA HB . 15281 1 211 . 1 1 16 16 ALA HB3 H 1 1.585 0.02 . 1 . . . . 16 ALA HB . 15281 1 212 . 1 1 16 16 ALA C C 13 180.101 0.15 . 1 . . . . 16 ALA C . 15281 1 213 . 1 1 16 16 ALA CA C 13 54.659 0.15 . 1 . . . . 16 ALA CA . 15281 1 214 . 1 1 16 16 ALA CB C 13 19.107 0.15 . 1 . . . . 16 ALA CB . 15281 1 215 . 1 1 16 16 ALA N N 15 122.526 0.15 . 1 . . . . 16 ALA N . 15281 1 216 . 1 1 17 17 LYS H H 1 8.317 0.02 . 1 . . . . 17 LYS H . 15281 1 217 . 1 1 17 17 LYS HA H 1 3.462 0.02 . 1 . . . . 17 LYS HA . 15281 1 218 . 1 1 17 17 LYS HB2 H 1 1.387 0.02 . 2 . . . . 17 LYS HB2 . 15281 1 219 . 1 1 17 17 LYS HB3 H 1 1.353 0.02 . 2 . . . . 17 LYS HB3 . 15281 1 220 . 1 1 17 17 LYS HD2 H 1 1.233 0.02 . 2 . . . . 17 LYS HD2 . 15281 1 221 . 1 1 17 17 LYS HD3 H 1 1.197 0.02 . 2 . . . . 17 LYS HD3 . 15281 1 222 . 1 1 17 17 LYS HE2 H 1 2.515 0.02 . 2 . . . . 17 LYS HE2 . 15281 1 223 . 1 1 17 17 LYS HE3 H 1 2.327 0.02 . 2 . . . . 17 LYS HE3 . 15281 1 224 . 1 1 17 17 LYS HG2 H 1 0.439 0.02 . 2 . . . . 17 LYS HG2 . 15281 1 225 . 1 1 17 17 LYS HG3 H 1 0.234 0.02 . 2 . . . . 17 LYS HG3 . 15281 1 226 . 1 1 17 17 LYS C C 13 179.126 0.15 . 1 . . . . 17 LYS C . 15281 1 227 . 1 1 17 17 LYS CA C 13 60.077 0.15 . 1 . . . . 17 LYS CA . 15281 1 228 . 1 1 17 17 LYS CB C 13 31.431 0.15 . 1 . . . . 17 LYS CB . 15281 1 229 . 1 1 17 17 LYS CD C 13 29.171 0.15 . 1 . . . . 17 LYS CD . 15281 1 230 . 1 1 17 17 LYS CE C 13 41.493 0.15 . 1 . . . . 17 LYS CE . 15281 1 231 . 1 1 17 17 LYS CG C 13 25.304 0.15 . 1 . . . . 17 LYS CG . 15281 1 232 . 1 1 17 17 LYS N N 15 117.572 0.15 . 1 . . . . 17 LYS N . 15281 1 233 . 1 1 18 18 ALA H H 1 7.296 0.02 . 1 . . . . 18 ALA H . 15281 1 234 . 1 1 18 18 ALA HA H 1 4.100 0.02 . 1 . . . . 18 ALA HA . 15281 1 235 . 1 1 18 18 ALA HB1 H 1 1.474 0.02 . 1 . . . . 18 ALA HB . 15281 1 236 . 1 1 18 18 ALA HB2 H 1 1.474 0.02 . 1 . . . . 18 ALA HB . 15281 1 237 . 1 1 18 18 ALA HB3 H 1 1.474 0.02 . 1 . . . . 18 ALA HB . 15281 1 238 . 1 1 18 18 ALA C C 13 178.940 0.15 . 1 . . . . 18 ALA C . 15281 1 239 . 1 1 18 18 ALA CA C 13 54.513 0.15 . 1 . . . . 18 ALA CA . 15281 1 240 . 1 1 18 18 ALA CB C 13 18.132 0.15 . 1 . . . . 18 ALA CB . 15281 1 241 . 1 1 18 18 ALA N N 15 119.644 0.15 . 1 . . . . 18 ALA N . 15281 1 242 . 1 1 19 19 GLN H H 1 7.443 0.02 . 1 . . . . 19 GLN H . 15281 1 243 . 1 1 19 19 GLN HA H 1 4.535 0.02 . 1 . . . . 19 GLN HA . 15281 1 244 . 1 1 19 19 GLN HB2 H 1 2.256 0.02 . 2 . . . . 19 GLN HB2 . 15281 1 245 . 1 1 19 19 GLN HB3 H 1 2.256 0.02 . 2 . . . . 19 GLN HB3 . 15281 1 246 . 1 1 19 19 GLN HE21 H 1 7.411 0.02 . 1 . . . . 19 GLN HE21 . 15281 1 247 . 1 1 19 19 GLN HE22 H 1 6.959 0.02 . 1 . . . . 19 GLN HE22 . 15281 1 248 . 1 1 19 19 GLN HG2 H 1 2.670 0.02 . 2 . . . . 19 GLN HG2 . 15281 1 249 . 1 1 19 19 GLN HG3 H 1 2.515 0.02 . 2 . . . . 19 GLN HG3 . 15281 1 250 . 1 1 19 19 GLN C C 13 176.607 0.15 . 1 . . . . 19 GLN C . 15281 1 251 . 1 1 19 19 GLN CA C 13 55.755 0.15 . 1 . . . . 19 GLN CA . 15281 1 252 . 1 1 19 19 GLN CB C 13 30.075 0.15 . 1 . . . . 19 GLN CB . 15281 1 253 . 1 1 19 19 GLN CD C 13 179.803 0.15 . 1 . . . . 19 GLN CD . 15281 1 254 . 1 1 19 19 GLN CG C 13 33.449 0.15 . 1 . . . . 19 GLN CG . 15281 1 255 . 1 1 19 19 GLN N N 15 113.538 0.15 . 1 . . . . 19 GLN N . 15281 1 256 . 1 1 19 19 GLN NE2 N 15 111.095 0.15 . 1 . . . . 19 GLN NE2 . 15281 1 257 . 1 1 20 20 GLY H H 1 8.277 0.02 . 1 . . . . 20 GLY H . 15281 1 258 . 1 1 20 20 GLY HA2 H 1 4.450 0.02 . 2 . . . . 20 GLY HA2 . 15281 1 259 . 1 1 20 20 GLY HA3 H 1 3.627 0.02 . 2 . . . . 20 GLY HA3 . 15281 1 260 . 1 1 20 20 GLY C C 13 174.006 0.15 . 1 . . . . 20 GLY C . 15281 1 261 . 1 1 20 20 GLY CA C 13 45.567 0.15 . 1 . . . . 20 GLY CA . 15281 1 262 . 1 1 20 20 GLY N N 15 108.233 0.15 . 1 . . . . 20 GLY N . 15281 1 263 . 1 1 21 21 ARG H H 1 7.786 0.02 . 1 . . . . 21 ARG H . 15281 1 264 . 1 1 21 21 ARG HA H 1 5.123 0.02 . 1 . . . . 21 ARG HA . 15281 1 265 . 1 1 21 21 ARG HB2 H 1 1.987 0.02 . 2 . . . . 21 ARG HB2 . 15281 1 266 . 1 1 21 21 ARG HB3 H 1 1.397 0.02 . 2 . . . . 21 ARG HB3 . 15281 1 267 . 1 1 21 21 ARG HD2 H 1 3.051 0.02 . 2 . . . . 21 ARG HD2 . 15281 1 268 . 1 1 21 21 ARG HD3 H 1 2.901 0.02 . 2 . . . . 21 ARG HD3 . 15281 1 269 . 1 1 21 21 ARG HE H 1 7.607 0.02 . 1 . . . . 21 ARG HE . 15281 1 270 . 1 1 21 21 ARG HG2 H 1 1.493 0.02 . 2 . . . . 21 ARG HG2 . 15281 1 271 . 1 1 21 21 ARG HG3 H 1 1.222 0.02 . 2 . . . . 21 ARG HG3 . 15281 1 272 . 1 1 21 21 ARG C C 13 171.553 0.15 . 1 . . . . 21 ARG C . 15281 1 273 . 1 1 21 21 ARG CA C 13 54.882 0.15 . 1 . . . . 21 ARG CA . 15281 1 274 . 1 1 21 21 ARG CB C 13 32.114 0.15 . 1 . . . . 21 ARG CB . 15281 1 275 . 1 1 21 21 ARG CD C 13 43.481 0.15 . 1 . . . . 21 ARG CD . 15281 1 276 . 1 1 21 21 ARG CG C 13 25.655 0.15 . 1 . . . . 21 ARG CG . 15281 1 277 . 1 1 21 21 ARG N N 15 116.837 0.15 . 1 . . . . 21 ARG N . 15281 1 278 . 1 1 21 21 ARG NE N 15 84.131 0.15 . 1 . . . . 21 ARG NE . 15281 1 279 . 1 1 22 22 PHE H H 1 9.821 0.02 . 1 . . . . 22 PHE H . 15281 1 280 . 1 1 22 22 PHE HA H 1 5.185 0.02 . 1 . . . . 22 PHE HA . 15281 1 281 . 1 1 22 22 PHE HB2 H 1 3.033 0.02 . 2 . . . . 22 PHE HB2 . 15281 1 282 . 1 1 22 22 PHE HB3 H 1 3.033 0.02 . 2 . . . . 22 PHE HB3 . 15281 1 283 . 1 1 22 22 PHE HD1 H 1 7.292 0.02 . 1 . . . . 22 PHE HD1 . 15281 1 284 . 1 1 22 22 PHE HD2 H 1 7.292 0.02 . 1 . . . . 22 PHE HD2 . 15281 1 285 . 1 1 22 22 PHE C C 13 173.825 0.15 . 1 . . . . 22 PHE C . 15281 1 286 . 1 1 22 22 PHE CA C 13 54.913 0.15 . 1 . . . . 22 PHE CA . 15281 1 287 . 1 1 22 22 PHE CB C 13 41.568 0.15 . 1 . . . . 22 PHE CB . 15281 1 288 . 1 1 22 22 PHE CD1 C 13 131.421 0.15 . 1 . . . . 22 PHE CD1 . 15281 1 289 . 1 1 22 22 PHE CD2 C 13 131.421 0.15 . 1 . . . . 22 PHE CD2 . 15281 1 290 . 1 1 22 22 PHE N N 15 121.680 0.15 . 1 . . . . 22 PHE N . 15281 1 291 . 1 1 23 23 GLU H H 1 9.053 0.02 . 1 . . . . 23 GLU H . 15281 1 292 . 1 1 23 23 GLU HA H 1 3.893 0.02 . 1 . . . . 23 GLU HA . 15281 1 293 . 1 1 23 23 GLU HB2 H 1 1.990 0.02 . 2 . . . . 23 GLU HB2 . 15281 1 294 . 1 1 23 23 GLU HB3 H 1 1.812 0.02 . 2 . . . . 23 GLU HB3 . 15281 1 295 . 1 1 23 23 GLU HG2 H 1 2.117 0.02 . 2 . . . . 23 GLU HG2 . 15281 1 296 . 1 1 23 23 GLU HG3 H 1 1.904 0.02 . 2 . . . . 23 GLU HG3 . 15281 1 297 . 1 1 23 23 GLU C C 13 174.856 0.15 . 1 . . . . 23 GLU C . 15281 1 298 . 1 1 23 23 GLU CA C 13 56.781 0.15 . 1 . . . . 23 GLU CA . 15281 1 299 . 1 1 23 23 GLU CB C 13 29.990 0.15 . 1 . . . . 23 GLU CB . 15281 1 300 . 1 1 23 23 GLU CG C 13 37.296 0.15 . 1 . . . . 23 GLU CG . 15281 1 301 . 1 1 23 23 GLU N N 15 125.059 0.15 . 1 . . . . 23 GLU N . 15281 1 302 . 1 1 24 24 GLY HA2 H 1 4.212 0.02 . 2 . . . . 24 GLY HA2 . 15281 1 303 . 1 1 24 24 GLY HA3 H 1 3.112 0.02 . 2 . . . . 24 GLY HA3 . 15281 1 304 . 1 1 24 24 GLY C C 13 173.311 0.15 . 1 . . . . 24 GLY C . 15281 1 305 . 1 1 24 24 GLY CA C 13 45.104 0.15 . 1 . . . . 24 GLY CA . 15281 1 306 . 1 1 25 25 SER H H 1 9.877 0.02 . 1 . . . . 25 SER H . 15281 1 307 . 1 1 25 25 SER HA H 1 4.884 0.02 . 1 . . . . 25 SER HA . 15281 1 308 . 1 1 25 25 SER HB2 H 1 4.324 0.02 . 2 . . . . 25 SER HB2 . 15281 1 309 . 1 1 25 25 SER HB3 H 1 4.324 0.02 . 2 . . . . 25 SER HB3 . 15281 1 310 . 1 1 25 25 SER C C 13 173.788 0.15 . 1 . . . . 25 SER C . 15281 1 311 . 1 1 25 25 SER CA C 13 57.549 0.15 . 1 . . . . 25 SER CA . 15281 1 312 . 1 1 25 25 SER CB C 13 65.383 0.15 . 1 . . . . 25 SER CB . 15281 1 313 . 1 1 25 25 SER N N 15 121.073 0.15 . 1 . . . . 25 SER N . 15281 1 314 . 1 1 26 26 ALA H H 1 9.097 0.02 . 1 . . . . 26 ALA H . 15281 1 315 . 1 1 26 26 ALA HA H 1 3.964 0.02 . 1 . . . . 26 ALA HA . 15281 1 316 . 1 1 26 26 ALA HB1 H 1 1.443 0.02 . 1 . . . . 26 ALA HB . 15281 1 317 . 1 1 26 26 ALA HB2 H 1 1.443 0.02 . 1 . . . . 26 ALA HB . 15281 1 318 . 1 1 26 26 ALA HB3 H 1 1.443 0.02 . 1 . . . . 26 ALA HB . 15281 1 319 . 1 1 26 26 ALA C C 13 181.102 0.15 . 1 . . . . 26 ALA C . 15281 1 320 . 1 1 26 26 ALA CA C 13 56.670 0.15 . 1 . . . . 26 ALA CA . 15281 1 321 . 1 1 26 26 ALA CB C 13 17.927 0.15 . 1 . . . . 26 ALA CB . 15281 1 322 . 1 1 26 26 ALA N N 15 123.398 0.15 . 1 . . . . 26 ALA N . 15281 1 323 . 1 1 27 27 VAL H H 1 7.928 0.02 . 1 . . . . 27 VAL H . 15281 1 324 . 1 1 27 27 VAL HA H 1 3.593 0.02 . 1 . . . . 27 VAL HA . 15281 1 325 . 1 1 27 27 VAL HB H 1 1.590 0.02 . 1 . . . . 27 VAL HB . 15281 1 326 . 1 1 27 27 VAL HG11 H 1 0.429 0.02 . 1 . . . . 27 VAL HG1 . 15281 1 327 . 1 1 27 27 VAL HG12 H 1 0.429 0.02 . 1 . . . . 27 VAL HG1 . 15281 1 328 . 1 1 27 27 VAL HG13 H 1 0.429 0.02 . 1 . . . . 27 VAL HG1 . 15281 1 329 . 1 1 27 27 VAL HG21 H 1 0.669 0.02 . 1 . . . . 27 VAL HG2 . 15281 1 330 . 1 1 27 27 VAL HG22 H 1 0.669 0.02 . 1 . . . . 27 VAL HG2 . 15281 1 331 . 1 1 27 27 VAL HG23 H 1 0.669 0.02 . 1 . . . . 27 VAL HG2 . 15281 1 332 . 1 1 27 27 VAL C C 13 176.628 0.15 . 1 . . . . 27 VAL C . 15281 1 333 . 1 1 27 27 VAL CA C 13 65.257 0.15 . 1 . . . . 27 VAL CA . 15281 1 334 . 1 1 27 27 VAL CB C 13 31.688 0.15 . 1 . . . . 27 VAL CB . 15281 1 335 . 1 1 27 27 VAL CG1 C 13 20.439 0.15 . 1 . . . . 27 VAL CG1 . 15281 1 336 . 1 1 27 27 VAL CG2 C 13 21.878 0.15 . 1 . . . . 27 VAL CG2 . 15281 1 337 . 1 1 27 27 VAL N N 15 117.697 0.15 . 1 . . . . 27 VAL N . 15281 1 338 . 1 1 28 28 ASP H H 1 6.927 0.02 . 1 . . . . 28 ASP H . 15281 1 339 . 1 1 28 28 ASP HA H 1 4.512 0.02 . 1 . . . . 28 ASP HA . 15281 1 340 . 1 1 28 28 ASP HB2 H 1 2.925 0.02 . 2 . . . . 28 ASP HB2 . 15281 1 341 . 1 1 28 28 ASP HB3 H 1 2.658 0.02 . 2 . . . . 28 ASP HB3 . 15281 1 342 . 1 1 28 28 ASP C C 13 178.402 0.15 . 1 . . . . 28 ASP C . 15281 1 343 . 1 1 28 28 ASP CA C 13 56.586 0.15 . 1 . . . . 28 ASP CA . 15281 1 344 . 1 1 28 28 ASP CB C 13 41.317 0.15 . 1 . . . . 28 ASP CB . 15281 1 345 . 1 1 28 28 ASP N N 15 121.516 0.15 . 1 . . . . 28 ASP N . 15281 1 346 . 1 1 29 29 LEU H H 1 8.309 0.02 . 1 . . . . 29 LEU H . 15281 1 347 . 1 1 29 29 LEU HA H 1 3.764 0.02 . 1 . . . . 29 LEU HA . 15281 1 348 . 1 1 29 29 LEU HB2 H 1 1.597 0.02 . 2 . . . . 29 LEU HB2 . 15281 1 349 . 1 1 29 29 LEU HB3 H 1 1.283 0.02 . 2 . . . . 29 LEU HB3 . 15281 1 350 . 1 1 29 29 LEU HD11 H 1 0.627 0.02 . 2 . . . . 29 LEU HD1 . 15281 1 351 . 1 1 29 29 LEU HD12 H 1 0.627 0.02 . 2 . . . . 29 LEU HD1 . 15281 1 352 . 1 1 29 29 LEU HD13 H 1 0.627 0.02 . 2 . . . . 29 LEU HD1 . 15281 1 353 . 1 1 29 29 LEU HD21 H 1 0.565 0.02 . 2 . . . . 29 LEU HD2 . 15281 1 354 . 1 1 29 29 LEU HD22 H 1 0.565 0.02 . 2 . . . . 29 LEU HD2 . 15281 1 355 . 1 1 29 29 LEU HD23 H 1 0.565 0.02 . 2 . . . . 29 LEU HD2 . 15281 1 356 . 1 1 29 29 LEU HG H 1 1.391 0.02 . 1 . . . . 29 LEU HG . 15281 1 357 . 1 1 29 29 LEU C C 13 180.093 0.15 . 1 . . . . 29 LEU C . 15281 1 358 . 1 1 29 29 LEU CA C 13 57.091 0.15 . 1 . . . . 29 LEU CA . 15281 1 359 . 1 1 29 29 LEU CB C 13 41.418 0.15 . 1 . . . . 29 LEU CB . 15281 1 360 . 1 1 29 29 LEU CD1 C 13 25.153 0.15 . 2 . . . . 29 LEU CD1 . 15281 1 361 . 1 1 29 29 LEU CD2 C 13 22.333 0.15 . 2 . . . . 29 LEU CD2 . 15281 1 362 . 1 1 29 29 LEU CG C 13 26.923 0.15 . 1 . . . . 29 LEU CG . 15281 1 363 . 1 1 29 29 LEU N N 15 118.648 0.15 . 1 . . . . 29 LEU N . 15281 1 364 . 1 1 30 30 ALA H H 1 7.458 0.02 . 1 . . . . 30 ALA H . 15281 1 365 . 1 1 30 30 ALA HA H 1 4.000 0.02 . 1 . . . . 30 ALA HA . 15281 1 366 . 1 1 30 30 ALA HB1 H 1 1.356 0.02 . 1 . . . . 30 ALA HB . 15281 1 367 . 1 1 30 30 ALA HB2 H 1 1.356 0.02 . 1 . . . . 30 ALA HB . 15281 1 368 . 1 1 30 30 ALA HB3 H 1 1.356 0.02 . 1 . . . . 30 ALA HB . 15281 1 369 . 1 1 30 30 ALA C C 13 179.371 0.15 . 1 . . . . 30 ALA C . 15281 1 370 . 1 1 30 30 ALA CA C 13 54.526 0.15 . 1 . . . . 30 ALA CA . 15281 1 371 . 1 1 30 30 ALA CB C 13 18.102 0.15 . 1 . . . . 30 ALA CB . 15281 1 372 . 1 1 30 30 ALA N N 15 120.814 0.15 . 1 . . . . 30 ALA N . 15281 1 373 . 1 1 31 31 ASP H H 1 7.682 0.02 . 1 . . . . 31 ASP H . 15281 1 374 . 1 1 31 31 ASP HA H 1 4.410 0.02 . 1 . . . . 31 ASP HA . 15281 1 375 . 1 1 31 31 ASP HB2 H 1 1.854 0.02 . 2 . . . . 31 ASP HB2 . 15281 1 376 . 1 1 31 31 ASP HB3 H 1 1.854 0.02 . 2 . . . . 31 ASP HB3 . 15281 1 377 . 1 1 31 31 ASP C C 13 176.610 0.15 . 1 . . . . 31 ASP C . 15281 1 378 . 1 1 31 31 ASP CA C 13 55.271 0.15 . 1 . . . . 31 ASP CA . 15281 1 379 . 1 1 31 31 ASP CB C 13 40.083 0.15 . 1 . . . . 31 ASP CB . 15281 1 380 . 1 1 31 31 ASP N N 15 117.191 0.15 . 1 . . . . 31 ASP N . 15281 1 381 . 1 1 32 32 GLY H H 1 7.909 0.02 . 1 . . . . 32 GLY H . 15281 1 382 . 1 1 32 32 GLY HA2 H 1 4.090 0.02 . 2 . . . . 32 GLY HA2 . 15281 1 383 . 1 1 32 32 GLY HA3 H 1 3.597 0.02 . 2 . . . . 32 GLY HA3 . 15281 1 384 . 1 1 32 32 GLY C C 13 173.168 0.15 . 1 . . . . 32 GLY C . 15281 1 385 . 1 1 32 32 GLY CA C 13 45.112 0.15 . 1 . . . . 32 GLY CA . 15281 1 386 . 1 1 32 32 GLY N N 15 106.983 0.15 . 1 . . . . 32 GLY N . 15281 1 387 . 1 1 33 33 PHE H H 1 7.233 0.02 . 1 . . . . 33 PHE H . 15281 1 388 . 1 1 33 33 PHE HA H 1 4.212 0.02 . 1 . . . . 33 PHE HA . 15281 1 389 . 1 1 33 33 PHE HB2 H 1 1.837 0.02 . 2 . . . . 33 PHE HB2 . 15281 1 390 . 1 1 33 33 PHE HB3 H 1 1.454 0.02 . 2 . . . . 33 PHE HB3 . 15281 1 391 . 1 1 33 33 PHE HD1 H 1 5.987 0.02 . 1 . . . . 33 PHE HD1 . 15281 1 392 . 1 1 33 33 PHE HD2 H 1 5.987 0.02 . 1 . . . . 33 PHE HD2 . 15281 1 393 . 1 1 33 33 PHE HE1 H 1 5.587 0.02 . 1 . . . . 33 PHE HE1 . 15281 1 394 . 1 1 33 33 PHE HE2 H 1 5.587 0.02 . 1 . . . . 33 PHE HE2 . 15281 1 395 . 1 1 33 33 PHE HZ H 1 6.544 0.02 . 1 . . . . 33 PHE HZ . 15281 1 396 . 1 1 33 33 PHE C C 13 171.389 0.15 . 1 . . . . 33 PHE C . 15281 1 397 . 1 1 33 33 PHE CA C 13 55.383 0.15 . 1 . . . . 33 PHE CA . 15281 1 398 . 1 1 33 33 PHE CB C 13 37.177 0.15 . 1 . . . . 33 PHE CB . 15281 1 399 . 1 1 33 33 PHE CD1 C 13 132.280 0.15 . 1 . . . . 33 PHE CD1 . 15281 1 400 . 1 1 33 33 PHE CD2 C 13 132.280 0.15 . 1 . . . . 33 PHE CD2 . 15281 1 401 . 1 1 33 33 PHE CE1 C 13 128.773 0.15 . 1 . . . . 33 PHE CE1 . 15281 1 402 . 1 1 33 33 PHE CE2 C 13 128.773 0.15 . 1 . . . . 33 PHE CE2 . 15281 1 403 . 1 1 33 33 PHE CZ C 13 127.426 0.15 . 1 . . . . 33 PHE CZ . 15281 1 404 . 1 1 33 33 PHE N N 15 115.364 0.15 . 1 . . . . 33 PHE N . 15281 1 405 . 1 1 34 34 ILE H H 1 8.637 0.02 . 1 . . . . 34 ILE H . 15281 1 406 . 1 1 34 34 ILE HA H 1 3.817 0.02 . 1 . . . . 34 ILE HA . 15281 1 407 . 1 1 34 34 ILE HB H 1 1.874 0.02 . 1 . . . . 34 ILE HB . 15281 1 408 . 1 1 34 34 ILE HD11 H 1 0.818 0.02 . 1 . . . . 34 ILE HD1 . 15281 1 409 . 1 1 34 34 ILE HD12 H 1 0.818 0.02 . 1 . . . . 34 ILE HD1 . 15281 1 410 . 1 1 34 34 ILE HD13 H 1 0.818 0.02 . 1 . . . . 34 ILE HD1 . 15281 1 411 . 1 1 34 34 ILE HG12 H 1 1.632 0.02 . 2 . . . . 34 ILE HG12 . 15281 1 412 . 1 1 34 34 ILE HG13 H 1 0.582 0.02 . 2 . . . . 34 ILE HG13 . 15281 1 413 . 1 1 34 34 ILE HG21 H 1 0.901 0.02 . 1 . . . . 34 ILE HG2 . 15281 1 414 . 1 1 34 34 ILE HG22 H 1 0.901 0.02 . 1 . . . . 34 ILE HG2 . 15281 1 415 . 1 1 34 34 ILE HG23 H 1 0.901 0.02 . 1 . . . . 34 ILE HG2 . 15281 1 416 . 1 1 34 34 ILE C C 13 177.018 0.15 . 1 . . . . 34 ILE C . 15281 1 417 . 1 1 34 34 ILE CA C 13 60.724 0.15 . 1 . . . . 34 ILE CA . 15281 1 418 . 1 1 34 34 ILE CB C 13 39.266 0.15 . 1 . . . . 34 ILE CB . 15281 1 419 . 1 1 34 34 ILE CD1 C 13 14.167 0.15 . 1 . . . . 34 ILE CD1 . 15281 1 420 . 1 1 34 34 ILE CG1 C 13 28.859 0.15 . 1 . . . . 34 ILE CG1 . 15281 1 421 . 1 1 34 34 ILE CG2 C 13 17.198 0.15 . 1 . . . . 34 ILE CG2 . 15281 1 422 . 1 1 34 34 ILE N N 15 114.086 0.15 . 1 . . . . 34 ILE N . 15281 1 423 . 1 1 35 35 HIS H H 1 9.203 0.02 . 1 . . . . 35 HIS H . 15281 1 424 . 1 1 35 35 HIS HA H 1 4.448 0.02 . 1 . . . . 35 HIS HA . 15281 1 425 . 1 1 35 35 HIS HB2 H 1 3.362 0.02 . 2 . . . . 35 HIS HB2 . 15281 1 426 . 1 1 35 35 HIS HB3 H 1 3.163 0.02 . 2 . . . . 35 HIS HB3 . 15281 1 427 . 1 1 35 35 HIS HD2 H 1 7.457 0.02 . 1 . . . . 35 HIS HD2 . 15281 1 428 . 1 1 35 35 HIS C C 13 175.740 0.15 . 1 . . . . 35 HIS C . 15281 1 429 . 1 1 35 35 HIS CA C 13 57.757 0.15 . 1 . . . . 35 HIS CA . 15281 1 430 . 1 1 35 35 HIS CB C 13 29.758 0.15 . 1 . . . . 35 HIS CB . 15281 1 431 . 1 1 35 35 HIS CD2 C 13 120.404 0.15 . 1 . . . . 35 HIS CD2 . 15281 1 432 . 1 1 35 35 HIS N N 15 127.988 0.15 . 1 . . . . 35 HIS N . 15281 1 433 . 1 1 36 36 LEU H H 1 8.454 0.02 . 1 . . . . 36 LEU H . 15281 1 434 . 1 1 36 36 LEU HA H 1 5.190 0.02 . 1 . . . . 36 LEU HA . 15281 1 435 . 1 1 36 36 LEU HB2 H 1 1.645 0.02 . 2 . . . . 36 LEU HB2 . 15281 1 436 . 1 1 36 36 LEU HB3 H 1 1.550 0.02 . 2 . . . . 36 LEU HB3 . 15281 1 437 . 1 1 36 36 LEU HD11 H 1 0.726 0.02 . 1 . . . . 36 LEU HD1 . 15281 1 438 . 1 1 36 36 LEU HD12 H 1 0.726 0.02 . 1 . . . . 36 LEU HD1 . 15281 1 439 . 1 1 36 36 LEU HD13 H 1 0.726 0.02 . 1 . . . . 36 LEU HD1 . 15281 1 440 . 1 1 36 36 LEU HD21 H 1 0.670 0.02 . 1 . . . . 36 LEU HD2 . 15281 1 441 . 1 1 36 36 LEU HD22 H 1 0.670 0.02 . 1 . . . . 36 LEU HD2 . 15281 1 442 . 1 1 36 36 LEU HD23 H 1 0.670 0.02 . 1 . . . . 36 LEU HD2 . 15281 1 443 . 1 1 36 36 LEU HG H 1 1.612 0.02 . 1 . . . . 36 LEU HG . 15281 1 444 . 1 1 36 36 LEU C C 13 174.813 0.15 . 1 . . . . 36 LEU C . 15281 1 445 . 1 1 36 36 LEU CA C 13 56.019 0.15 . 1 . . . . 36 LEU CA . 15281 1 446 . 1 1 36 36 LEU CB C 13 44.541 0.15 . 1 . . . . 36 LEU CB . 15281 1 447 . 1 1 36 36 LEU CD1 C 13 27.876 0.15 . 1 . . . . 36 LEU CD1 . 15281 1 448 . 1 1 36 36 LEU CD2 C 13 26.016 0.15 . 1 . . . . 36 LEU CD2 . 15281 1 449 . 1 1 36 36 LEU CG C 13 28.502 0.15 . 1 . . . . 36 LEU CG . 15281 1 450 . 1 1 36 36 LEU N N 15 126.075 0.15 . 1 . . . . 36 LEU N . 15281 1 451 . 1 1 37 37 SER H H 1 9.128 0.02 . 1 . . . . 37 SER H . 15281 1 452 . 1 1 37 37 SER HA H 1 5.277 0.02 . 1 . . . . 37 SER HA . 15281 1 453 . 1 1 37 37 SER HB2 H 1 3.966 0.02 . 2 . . . . 37 SER HB2 . 15281 1 454 . 1 1 37 37 SER HB3 H 1 3.640 0.02 . 2 . . . . 37 SER HB3 . 15281 1 455 . 1 1 37 37 SER C C 13 174.433 0.15 . 1 . . . . 37 SER C . 15281 1 456 . 1 1 37 37 SER CA C 13 57.990 0.15 . 1 . . . . 37 SER CA . 15281 1 457 . 1 1 37 37 SER CB C 13 66.778 0.15 . 1 . . . . 37 SER CB . 15281 1 458 . 1 1 37 37 SER N N 15 112.795 0.15 . 1 . . . . 37 SER N . 15281 1 459 . 1 1 38 38 ALA H H 1 9.665 0.02 . 1 . . . . 38 ALA H . 15281 1 460 . 1 1 38 38 ALA HA H 1 4.973 0.02 . 1 . . . . 38 ALA HA . 15281 1 461 . 1 1 38 38 ALA HB1 H 1 1.785 0.02 . 1 . . . . 38 ALA HB . 15281 1 462 . 1 1 38 38 ALA HB2 H 1 1.785 0.02 . 1 . . . . 38 ALA HB . 15281 1 463 . 1 1 38 38 ALA HB3 H 1 1.785 0.02 . 1 . . . . 38 ALA HB . 15281 1 464 . 1 1 38 38 ALA C C 13 179.640 0.15 . 1 . . . . 38 ALA C . 15281 1 465 . 1 1 38 38 ALA CA C 13 52.303 0.15 . 1 . . . . 38 ALA CA . 15281 1 466 . 1 1 38 38 ALA CB C 13 19.350 0.15 . 1 . . . . 38 ALA CB . 15281 1 467 . 1 1 38 38 ALA N N 15 127.103 0.15 . 1 . . . . 38 ALA N . 15281 1 468 . 1 1 39 39 GLY H H 1 10.159 0.02 . 1 . . . . 39 GLY H . 15281 1 469 . 1 1 39 39 GLY HA2 H 1 4.249 0.02 . 2 . . . . 39 GLY HA2 . 15281 1 470 . 1 1 39 39 GLY HA3 H 1 3.720 0.02 . 2 . . . . 39 GLY HA3 . 15281 1 471 . 1 1 39 39 GLY C C 13 176.229 0.15 . 1 . . . . 39 GLY C . 15281 1 472 . 1 1 39 39 GLY CA C 13 49.163 0.15 . 1 . . . . 39 GLY CA . 15281 1 473 . 1 1 39 39 GLY N N 15 112.007 0.15 . 1 . . . . 39 GLY N . 15281 1 474 . 1 1 40 40 GLU H H 1 9.367 0.02 . 1 . . . . 40 GLU H . 15281 1 475 . 1 1 40 40 GLU HA H 1 4.234 0.02 . 1 . . . . 40 GLU HA . 15281 1 476 . 1 1 40 40 GLU HB2 H 1 2.118 0.02 . 2 . . . . 40 GLU HB2 . 15281 1 477 . 1 1 40 40 GLU HB3 H 1 2.118 0.02 . 2 . . . . 40 GLU HB3 . 15281 1 478 . 1 1 40 40 GLU HG2 H 1 2.347 0.02 . 2 . . . . 40 GLU HG2 . 15281 1 479 . 1 1 40 40 GLU HG3 H 1 2.347 0.02 . 2 . . . . 40 GLU HG3 . 15281 1 480 . 1 1 40 40 GLU C C 13 176.417 0.15 . 1 . . . . 40 GLU C . 15281 1 481 . 1 1 40 40 GLU CA C 13 58.622 0.15 . 1 . . . . 40 GLU CA . 15281 1 482 . 1 1 40 40 GLU CB C 13 28.796 0.15 . 1 . . . . 40 GLU CB . 15281 1 483 . 1 1 40 40 GLU CG C 13 36.464 0.15 . 1 . . . . 40 GLU CG . 15281 1 484 . 1 1 40 40 GLU N N 15 117.243 0.15 . 1 . . . . 40 GLU N . 15281 1 485 . 1 1 41 41 GLN H H 1 7.503 0.02 . 1 . . . . 41 GLN H . 15281 1 486 . 1 1 41 41 GLN HA H 1 4.752 0.02 . 1 . . . . 41 GLN HA . 15281 1 487 . 1 1 41 41 GLN HB2 H 1 2.359 0.02 . 2 . . . . 41 GLN HB2 . 15281 1 488 . 1 1 41 41 GLN HB3 H 1 2.359 0.02 . 2 . . . . 41 GLN HB3 . 15281 1 489 . 1 1 41 41 GLN HE21 H 1 7.001 0.02 . 1 . . . . 41 GLN HE21 . 15281 1 490 . 1 1 41 41 GLN HE22 H 1 6.282 0.02 . 1 . . . . 41 GLN HE22 . 15281 1 491 . 1 1 41 41 GLN HG2 H 1 2.435 0.02 . 2 . . . . 41 GLN HG2 . 15281 1 492 . 1 1 41 41 GLN HG3 H 1 2.209 0.02 . 2 . . . . 41 GLN HG3 . 15281 1 493 . 1 1 41 41 GLN C C 13 177.730 0.15 . 1 . . . . 41 GLN C . 15281 1 494 . 1 1 41 41 GLN CA C 13 55.626 0.15 . 1 . . . . 41 GLN CA . 15281 1 495 . 1 1 41 41 GLN CB C 13 30.653 0.15 . 1 . . . . 41 GLN CB . 15281 1 496 . 1 1 41 41 GLN CD C 13 178.406 0.15 . 1 . . . . 41 GLN CD . 15281 1 497 . 1 1 41 41 GLN CG C 13 33.639 0.15 . 1 . . . . 41 GLN CG . 15281 1 498 . 1 1 41 41 GLN N N 15 115.837 0.15 . 1 . . . . 41 GLN N . 15281 1 499 . 1 1 41 41 GLN NE2 N 15 110.350 0.15 . 1 . . . . 41 GLN NE2 . 15281 1 500 . 1 1 42 42 ALA H H 1 7.519 0.02 . 1 . . . . 42 ALA H . 15281 1 501 . 1 1 42 42 ALA HA H 1 3.927 0.02 . 1 . . . . 42 ALA HA . 15281 1 502 . 1 1 42 42 ALA HB1 H 1 1.152 0.02 . 1 . . . . 42 ALA HB . 15281 1 503 . 1 1 42 42 ALA HB2 H 1 1.152 0.02 . 1 . . . . 42 ALA HB . 15281 1 504 . 1 1 42 42 ALA HB3 H 1 1.152 0.02 . 1 . . . . 42 ALA HB . 15281 1 505 . 1 1 42 42 ALA C C 13 177.826 0.15 . 1 . . . . 42 ALA C . 15281 1 506 . 1 1 42 42 ALA CA C 13 56.706 0.15 . 1 . . . . 42 ALA CA . 15281 1 507 . 1 1 42 42 ALA CB C 13 18.247 0.15 . 1 . . . . 42 ALA CB . 15281 1 508 . 1 1 42 42 ALA N N 15 123.105 0.15 . 1 . . . . 42 ALA N . 15281 1 509 . 1 1 43 43 GLN H H 1 9.203 0.02 . 1 . . . . 43 GLN H . 15281 1 510 . 1 1 43 43 GLN HA H 1 3.942 0.02 . 1 . . . . 43 GLN HA . 15281 1 511 . 1 1 43 43 GLN HB2 H 1 2.057 0.02 . 2 . . . . 43 GLN HB2 . 15281 1 512 . 1 1 43 43 GLN HB3 H 1 1.970 0.02 . 2 . . . . 43 GLN HB3 . 15281 1 513 . 1 1 43 43 GLN HE21 H 1 6.800 0.02 . 1 . . . . 43 GLN HE21 . 15281 1 514 . 1 1 43 43 GLN HE22 H 1 8.095 0.02 . 1 . . . . 43 GLN HE22 . 15281 1 515 . 1 1 43 43 GLN HG2 H 1 2.398 0.02 . 2 . . . . 43 GLN HG2 . 15281 1 516 . 1 1 43 43 GLN HG3 H 1 2.335 0.02 . 2 . . . . 43 GLN HG3 . 15281 1 517 . 1 1 43 43 GLN C C 13 177.913 0.15 . 1 . . . . 43 GLN C . 15281 1 518 . 1 1 43 43 GLN CA C 13 58.678 0.15 . 1 . . . . 43 GLN CA . 15281 1 519 . 1 1 43 43 GLN CB C 13 28.815 0.15 . 1 . . . . 43 GLN CB . 15281 1 520 . 1 1 43 43 GLN CD C 13 179.894 0.15 . 1 . . . . 43 GLN CD . 15281 1 521 . 1 1 43 43 GLN CG C 13 33.976 0.15 . 1 . . . . 43 GLN CG . 15281 1 522 . 1 1 43 43 GLN N N 15 118.650 0.15 . 1 . . . . 43 GLN N . 15281 1 523 . 1 1 43 43 GLN NE2 N 15 115.888 0.15 . 1 . . . . 43 GLN NE2 . 15281 1 524 . 1 1 44 44 GLU H H 1 8.611 0.02 . 1 . . . . 44 GLU H . 15281 1 525 . 1 1 44 44 GLU HA H 1 4.207 0.02 . 1 . . . . 44 GLU HA . 15281 1 526 . 1 1 44 44 GLU HB2 H 1 2.142 0.02 . 2 . . . . 44 GLU HB2 . 15281 1 527 . 1 1 44 44 GLU HB3 H 1 2.142 0.02 . 2 . . . . 44 GLU HB3 . 15281 1 528 . 1 1 44 44 GLU HG2 H 1 2.350 0.02 . 2 . . . . 44 GLU HG2 . 15281 1 529 . 1 1 44 44 GLU HG3 H 1 2.350 0.02 . 2 . . . . 44 GLU HG3 . 15281 1 530 . 1 1 44 44 GLU C C 13 179.090 0.15 . 1 . . . . 44 GLU C . 15281 1 531 . 1 1 44 44 GLU CA C 13 59.246 0.15 . 1 . . . . 44 GLU CA . 15281 1 532 . 1 1 44 44 GLU CB C 13 28.850 0.15 . 1 . . . . 44 GLU CB . 15281 1 533 . 1 1 44 44 GLU CG C 13 36.457 0.15 . 1 . . . . 44 GLU CG . 15281 1 534 . 1 1 44 44 GLU N N 15 122.042 0.15 . 1 . . . . 44 GLU N . 15281 1 535 . 1 1 45 45 THR H H 1 8.292 0.02 . 1 . . . . 45 THR H . 15281 1 536 . 1 1 45 45 THR HA H 1 4.123 0.02 . 1 . . . . 45 THR HA . 15281 1 537 . 1 1 45 45 THR HB H 1 4.505 0.02 . 1 . . . . 45 THR HB . 15281 1 538 . 1 1 45 45 THR HG21 H 1 1.499 0.02 . 1 . . . . 45 THR HG2 . 15281 1 539 . 1 1 45 45 THR HG22 H 1 1.499 0.02 . 1 . . . . 45 THR HG2 . 15281 1 540 . 1 1 45 45 THR HG23 H 1 1.499 0.02 . 1 . . . . 45 THR HG2 . 15281 1 541 . 1 1 45 45 THR C C 13 176.228 0.15 . 1 . . . . 45 THR C . 15281 1 542 . 1 1 45 45 THR CA C 13 66.902 0.15 . 1 . . . . 45 THR CA . 15281 1 543 . 1 1 45 45 THR CB C 13 68.949 0.15 . 1 . . . . 45 THR CB . 15281 1 544 . 1 1 45 45 THR CG2 C 13 22.230 0.15 . 1 . . . . 45 THR CG2 . 15281 1 545 . 1 1 45 45 THR N N 15 117.583 0.15 . 1 . . . . 45 THR N . 15281 1 546 . 1 1 46 46 ALA H H 1 8.275 0.02 . 1 . . . . 46 ALA H . 15281 1 547 . 1 1 46 46 ALA HA H 1 4.255 0.02 . 1 . . . . 46 ALA HA . 15281 1 548 . 1 1 46 46 ALA HB1 H 1 1.390 0.02 . 1 . . . . 46 ALA HB . 15281 1 549 . 1 1 46 46 ALA HB2 H 1 1.390 0.02 . 1 . . . . 46 ALA HB . 15281 1 550 . 1 1 46 46 ALA HB3 H 1 1.390 0.02 . 1 . . . . 46 ALA HB . 15281 1 551 . 1 1 46 46 ALA C C 13 178.630 0.15 . 1 . . . . 46 ALA C . 15281 1 552 . 1 1 46 46 ALA CA C 13 55.406 0.15 . 1 . . . . 46 ALA CA . 15281 1 553 . 1 1 46 46 ALA CB C 13 18.482 0.15 . 1 . . . . 46 ALA CB . 15281 1 554 . 1 1 46 46 ALA N N 15 123.184 0.15 . 1 . . . . 46 ALA N . 15281 1 555 . 1 1 47 47 ALA H H 1 8.066 0.02 . 1 . . . . 47 ALA H . 15281 1 556 . 1 1 47 47 ALA HA H 1 3.953 0.02 . 1 . . . . 47 ALA HA . 15281 1 557 . 1 1 47 47 ALA HB1 H 1 1.522 0.02 . 1 . . . . 47 ALA HB . 15281 1 558 . 1 1 47 47 ALA HB2 H 1 1.522 0.02 . 1 . . . . 47 ALA HB . 15281 1 559 . 1 1 47 47 ALA HB3 H 1 1.522 0.02 . 1 . . . . 47 ALA HB . 15281 1 560 . 1 1 47 47 ALA C C 13 178.552 0.15 . 1 . . . . 47 ALA C . 15281 1 561 . 1 1 47 47 ALA CA C 13 55.030 0.15 . 1 . . . . 47 ALA CA . 15281 1 562 . 1 1 47 47 ALA CB C 13 18.899 0.15 . 1 . . . . 47 ALA CB . 15281 1 563 . 1 1 47 47 ALA N N 15 117.129 0.15 . 1 . . . . 47 ALA N . 15281 1 564 . 1 1 48 48 LYS H H 1 8.089 0.02 . 1 . . . . 48 LYS H . 15281 1 565 . 1 1 48 48 LYS HA H 1 3.936 0.02 . 1 . . . . 48 LYS HA . 15281 1 566 . 1 1 48 48 LYS HB2 H 1 1.542 0.02 . 2 . . . . 48 LYS HB2 . 15281 1 567 . 1 1 48 48 LYS HB3 H 1 1.107 0.02 . 2 . . . . 48 LYS HB3 . 15281 1 568 . 1 1 48 48 LYS HD2 H 1 1.382 0.02 . 2 . . . . 48 LYS HD2 . 15281 1 569 . 1 1 48 48 LYS HD3 H 1 1.314 0.02 . 2 . . . . 48 LYS HD3 . 15281 1 570 . 1 1 48 48 LYS HE2 H 1 2.670 0.02 . 2 . . . . 48 LYS HE2 . 15281 1 571 . 1 1 48 48 LYS HE3 H 1 2.568 0.02 . 2 . . . . 48 LYS HE3 . 15281 1 572 . 1 1 48 48 LYS HG2 H 1 0.879 0.02 . 2 . . . . 48 LYS HG2 . 15281 1 573 . 1 1 48 48 LYS HG3 H 1 0.499 0.02 . 2 . . . . 48 LYS HG3 . 15281 1 574 . 1 1 48 48 LYS C C 13 179.130 0.15 . 1 . . . . 48 LYS C . 15281 1 575 . 1 1 48 48 LYS CA C 13 58.560 0.15 . 1 . . . . 48 LYS CA . 15281 1 576 . 1 1 48 48 LYS CB C 13 33.122 0.15 . 1 . . . . 48 LYS CB . 15281 1 577 . 1 1 48 48 LYS CD C 13 28.949 0.15 . 1 . . . . 48 LYS CD . 15281 1 578 . 1 1 48 48 LYS CE C 13 42.070 0.15 . 1 . . . . 48 LYS CE . 15281 1 579 . 1 1 48 48 LYS CG C 13 24.793 0.15 . 1 . . . . 48 LYS CG . 15281 1 580 . 1 1 48 48 LYS N N 15 115.322 0.15 . 1 . . . . 48 LYS N . 15281 1 581 . 1 1 49 49 TRP H H 1 7.978 0.02 . 1 . . . . 49 TRP H . 15281 1 582 . 1 1 49 49 TRP HA H 1 4.807 0.02 . 1 . . . . 49 TRP HA . 15281 1 583 . 1 1 49 49 TRP HB2 H 1 2.906 0.02 . 2 . . . . 49 TRP HB2 . 15281 1 584 . 1 1 49 49 TRP HB3 H 1 2.763 0.02 . 2 . . . . 49 TRP HB3 . 15281 1 585 . 1 1 49 49 TRP HD1 H 1 7.380 0.02 . 1 . . . . 49 TRP HD1 . 15281 1 586 . 1 1 49 49 TRP HE1 H 1 10.234 0.02 . 1 . . . . 49 TRP HE1 . 15281 1 587 . 1 1 49 49 TRP HE3 H 1 7.633 0.02 . 1 . . . . 49 TRP HE3 . 15281 1 588 . 1 1 49 49 TRP HH2 H 1 7.117 0.02 . 1 . . . . 49 TRP HH2 . 15281 1 589 . 1 1 49 49 TRP HZ2 H 1 7.408 0.02 . 1 . . . . 49 TRP HZ2 . 15281 1 590 . 1 1 49 49 TRP HZ3 H 1 7.083 0.02 . 1 . . . . 49 TRP HZ3 . 15281 1 591 . 1 1 49 49 TRP C C 13 176.923 0.15 . 1 . . . . 49 TRP C . 15281 1 592 . 1 1 49 49 TRP CA C 13 57.157 0.15 . 1 . . . . 49 TRP CA . 15281 1 593 . 1 1 49 49 TRP CB C 13 31.461 0.15 . 1 . . . . 49 TRP CB . 15281 1 594 . 1 1 49 49 TRP CD1 C 13 127.545 0.15 . 1 . . . . 49 TRP CD1 . 15281 1 595 . 1 1 49 49 TRP CE3 C 13 121.17 0.15 . 1 . . . . 49 TRP CE3 . 15281 1 596 . 1 1 49 49 TRP CH2 C 13 124.694 0.15 . 1 . . . . 49 TRP CH2 . 15281 1 597 . 1 1 49 49 TRP CZ2 C 13 114.540 0.15 . 1 . . . . 49 TRP CZ2 . 15281 1 598 . 1 1 49 49 TRP CZ3 C 13 121.98 0.15 . 1 . . . . 49 TRP CZ3 . 15281 1 599 . 1 1 49 49 TRP N N 15 114.492 0.15 . 1 . . . . 49 TRP N . 15281 1 600 . 1 1 49 49 TRP NE1 N 15 128.679 0.15 . 1 . . . . 49 TRP NE1 . 15281 1 601 . 1 1 50 50 PHE H H 1 7.740 0.02 . 1 . . . . 50 PHE H . 15281 1 602 . 1 1 50 50 PHE HA H 1 4.925 0.02 . 1 . . . . 50 PHE HA . 15281 1 603 . 1 1 50 50 PHE HB2 H 1 3.676 0.02 . 2 . . . . 50 PHE HB2 . 15281 1 604 . 1 1 50 50 PHE HB3 H 1 2.930 0.02 . 2 . . . . 50 PHE HB3 . 15281 1 605 . 1 1 50 50 PHE HD1 H 1 7.286 0.02 . 1 . . . . 50 PHE HD1 . 15281 1 606 . 1 1 50 50 PHE HD2 H 1 7.286 0.02 . 1 . . . . 50 PHE HD2 . 15281 1 607 . 1 1 50 50 PHE HZ H 1 7.345 0.02 . 1 . . . . 50 PHE HZ . 15281 1 608 . 1 1 50 50 PHE C C 13 174.160 0.15 . 1 . . . . 50 PHE C . 15281 1 609 . 1 1 50 50 PHE CA C 13 57.772 0.15 . 1 . . . . 50 PHE CA . 15281 1 610 . 1 1 50 50 PHE CB C 13 39.610 0.15 . 1 . . . . 50 PHE CB . 15281 1 611 . 1 1 50 50 PHE CD1 C 13 132.511 0.15 . 1 . . . . 50 PHE CD1 . 15281 1 612 . 1 1 50 50 PHE CD2 C 13 132.511 0.15 . 1 . . . . 50 PHE CD2 . 15281 1 613 . 1 1 50 50 PHE CZ C 13 130.44 0.15 . 1 . . . . 50 PHE CZ . 15281 1 614 . 1 1 50 50 PHE N N 15 116.540 0.15 . 1 . . . . 50 PHE N . 15281 1 615 . 1 1 51 51 ARG H H 1 7.389 0.02 . 1 . . . . 51 ARG H . 15281 1 616 . 1 1 51 51 ARG HA H 1 4.198 0.02 . 1 . . . . 51 ARG HA . 15281 1 617 . 1 1 51 51 ARG HB2 H 1 2.027 0.02 . 2 . . . . 51 ARG HB2 . 15281 1 618 . 1 1 51 51 ARG HB3 H 1 1.771 0.02 . 2 . . . . 51 ARG HB3 . 15281 1 619 . 1 1 51 51 ARG HD2 H 1 3.212 0.02 . 2 . . . . 51 ARG HD2 . 15281 1 620 . 1 1 51 51 ARG HD3 H 1 3.212 0.02 . 2 . . . . 51 ARG HD3 . 15281 1 621 . 1 1 51 51 ARG HE H 1 7.237 0.02 . 1 . . . . 51 ARG HE . 15281 1 622 . 1 1 51 51 ARG HG2 H 1 1.545 0.02 . 2 . . . . 51 ARG HG2 . 15281 1 623 . 1 1 51 51 ARG HG3 H 1 1.545 0.02 . 2 . . . . 51 ARG HG3 . 15281 1 624 . 1 1 51 51 ARG C C 13 179.130 0.15 . 1 . . . . 51 ARG C . 15281 1 625 . 1 1 51 51 ARG CA C 13 58.224 0.15 . 1 . . . . 51 ARG CA . 15281 1 626 . 1 1 51 51 ARG CB C 13 30.032 0.15 . 1 . . . . 51 ARG CB . 15281 1 627 . 1 1 51 51 ARG CD C 13 43.448 0.15 . 1 . . . . 51 ARG CD . 15281 1 628 . 1 1 51 51 ARG CG C 13 27.926 0.15 . 1 . . . . 51 ARG CG . 15281 1 629 . 1 1 51 51 ARG N N 15 119.136 0.15 . 1 . . . . 51 ARG N . 15281 1 630 . 1 1 51 51 ARG NE N 15 83.671 0.15 . 1 . . . . 51 ARG NE . 15281 1 631 . 1 1 52 52 GLY H H 1 10.264 0.02 . 1 . . . . 52 GLY H . 15281 1 632 . 1 1 52 52 GLY HA2 H 1 4.180 0.02 . 2 . . . . 52 GLY HA2 . 15281 1 633 . 1 1 52 52 GLY HA3 H 1 3.745 0.02 . 2 . . . . 52 GLY HA3 . 15281 1 634 . 1 1 52 52 GLY C C 13 173.980 0.15 . 1 . . . . 52 GLY C . 15281 1 635 . 1 1 52 52 GLY CA C 13 45.517 0.15 . 1 . . . . 52 GLY CA . 15281 1 636 . 1 1 52 52 GLY N N 15 114.192 0.15 . 1 . . . . 52 GLY N . 15281 1 637 . 1 1 53 53 GLN H H 1 7.597 0.02 . 1 . . . . 53 GLN H . 15281 1 638 . 1 1 53 53 GLN HA H 1 4.437 0.02 . 1 . . . . 53 GLN HA . 15281 1 639 . 1 1 53 53 GLN HB2 H 1 2.257 0.02 . 2 . . . . 53 GLN HB2 . 15281 1 640 . 1 1 53 53 GLN HB3 H 1 2.185 0.02 . 2 . . . . 53 GLN HB3 . 15281 1 641 . 1 1 53 53 GLN HE21 H 1 7.888 0.02 . 1 . . . . 53 GLN HE21 . 15281 1 642 . 1 1 53 53 GLN HE22 H 1 6.650 0.02 . 1 . . . . 53 GLN HE22 . 15281 1 643 . 1 1 53 53 GLN HG2 H 1 2.321 0.02 . 2 . . . . 53 GLN HG2 . 15281 1 644 . 1 1 53 53 GLN HG3 H 1 2.321 0.02 . 2 . . . . 53 GLN HG3 . 15281 1 645 . 1 1 53 53 GLN C C 13 172.934 0.15 . 1 . . . . 53 GLN C . 15281 1 646 . 1 1 53 53 GLN CA C 13 56.280 0.15 . 1 . . . . 53 GLN CA . 15281 1 647 . 1 1 53 53 GLN CB C 13 29.123 0.15 . 1 . . . . 53 GLN CB . 15281 1 648 . 1 1 53 53 GLN CD C 13 179.642 0.15 . 1 . . . . 53 GLN CD . 15281 1 649 . 1 1 53 53 GLN CG C 13 33.921 0.15 . 1 . . . . 53 GLN CG . 15281 1 650 . 1 1 53 53 GLN N N 15 120.438 0.15 . 1 . . . . 53 GLN N . 15281 1 651 . 1 1 53 53 GLN NE2 N 15 112.642 0.15 . 1 . . . . 53 GLN NE2 . 15281 1 652 . 1 1 54 54 ALA H H 1 8.190 0.02 . 1 . . . . 54 ALA H . 15281 1 653 . 1 1 54 54 ALA HA H 1 4.344 0.02 . 1 . . . . 54 ALA HA . 15281 1 654 . 1 1 54 54 ALA HB1 H 1 1.426 0.02 . 1 . . . . 54 ALA HB . 15281 1 655 . 1 1 54 54 ALA HB2 H 1 1.426 0.02 . 1 . . . . 54 ALA HB . 15281 1 656 . 1 1 54 54 ALA HB3 H 1 1.426 0.02 . 1 . . . . 54 ALA HB . 15281 1 657 . 1 1 54 54 ALA C C 13 177.278 0.15 . 1 . . . . 54 ALA C . 15281 1 658 . 1 1 54 54 ALA CA C 13 51.377 0.15 . 1 . . . . 54 ALA CA . 15281 1 659 . 1 1 54 54 ALA CB C 13 20.525 0.15 . 1 . . . . 54 ALA CB . 15281 1 660 . 1 1 54 54 ALA N N 15 124.528 0.15 . 1 . . . . 54 ALA N . 15281 1 661 . 1 1 55 55 ASN H H 1 8.903 0.02 . 1 . . . . 55 ASN H . 15281 1 662 . 1 1 55 55 ASN HA H 1 4.598 0.02 . 1 . . . . 55 ASN HA . 15281 1 663 . 1 1 55 55 ASN HB2 H 1 3.022 0.02 . 2 . . . . 55 ASN HB2 . 15281 1 664 . 1 1 55 55 ASN HB3 H 1 2.973 0.02 . 2 . . . . 55 ASN HB3 . 15281 1 665 . 1 1 55 55 ASN HD21 H 1 7.781 0.02 . 1 . . . . 55 ASN HD21 . 15281 1 666 . 1 1 55 55 ASN HD22 H 1 7.038 0.02 . 1 . . . . 55 ASN HD22 . 15281 1 667 . 1 1 55 55 ASN C C 13 174.075 0.15 . 1 . . . . 55 ASN C . 15281 1 668 . 1 1 55 55 ASN CA C 13 53.986 0.15 . 1 . . . . 55 ASN CA . 15281 1 669 . 1 1 55 55 ASN CB C 13 37.654 0.15 . 1 . . . . 55 ASN CB . 15281 1 670 . 1 1 55 55 ASN CG C 13 178.754 0.15 . 1 . . . . 55 ASN CG . 15281 1 671 . 1 1 55 55 ASN N N 15 113.776 0.15 . 1 . . . . 55 ASN N . 15281 1 672 . 1 1 55 55 ASN ND2 N 15 114.312 0.15 . 1 . . . . 55 ASN ND2 . 15281 1 673 . 1 1 56 56 LEU H H 1 8.543 0.02 . 1 . . . . 56 LEU H . 15281 1 674 . 1 1 56 56 LEU HA H 1 4.677 0.02 . 1 . . . . 56 LEU HA . 15281 1 675 . 1 1 56 56 LEU HB2 H 1 1.848 0.02 . 2 . . . . 56 LEU HB2 . 15281 1 676 . 1 1 56 56 LEU HB3 H 1 0.961 0.02 . 2 . . . . 56 LEU HB3 . 15281 1 677 . 1 1 56 56 LEU HD11 H 1 0.865 0.02 . 1 . . . . 56 LEU HD1 . 15281 1 678 . 1 1 56 56 LEU HD12 H 1 0.865 0.02 . 1 . . . . 56 LEU HD1 . 15281 1 679 . 1 1 56 56 LEU HD13 H 1 0.865 0.02 . 1 . . . . 56 LEU HD1 . 15281 1 680 . 1 1 56 56 LEU HD21 H 1 0.668 0.02 . 1 . . . . 56 LEU HD2 . 15281 1 681 . 1 1 56 56 LEU HD22 H 1 0.668 0.02 . 1 . . . . 56 LEU HD2 . 15281 1 682 . 1 1 56 56 LEU HD23 H 1 0.668 0.02 . 1 . . . . 56 LEU HD2 . 15281 1 683 . 1 1 56 56 LEU HG H 1 1.542 0.02 . 1 . . . . 56 LEU HG . 15281 1 684 . 1 1 56 56 LEU C C 13 176.806 0.15 . 1 . . . . 56 LEU C . 15281 1 685 . 1 1 56 56 LEU CA C 13 54.383 0.15 . 1 . . . . 56 LEU CA . 15281 1 686 . 1 1 56 56 LEU CB C 13 45.328 0.15 . 1 . . . . 56 LEU CB . 15281 1 687 . 1 1 56 56 LEU CD1 C 13 27.756 0.15 . 1 . . . . 56 LEU CD1 . 15281 1 688 . 1 1 56 56 LEU CD2 C 13 21.881 0.15 . 1 . . . . 56 LEU CD2 . 15281 1 689 . 1 1 56 56 LEU CG C 13 25.890 0.15 . 1 . . . . 56 LEU CG . 15281 1 690 . 1 1 56 56 LEU N N 15 117.411 0.15 . 1 . . . . 56 LEU N . 15281 1 691 . 1 1 57 57 VAL H H 1 9.207 0.02 . 1 . . . . 57 VAL H . 15281 1 692 . 1 1 57 57 VAL HA H 1 4.633 0.02 . 1 . . . . 57 VAL HA . 15281 1 693 . 1 1 57 57 VAL HB H 1 1.504 0.02 . 1 . . . . 57 VAL HB . 15281 1 694 . 1 1 57 57 VAL HG11 H 1 0.410 0.02 . 1 . . . . 57 VAL HG1 . 15281 1 695 . 1 1 57 57 VAL HG12 H 1 0.410 0.02 . 1 . . . . 57 VAL HG1 . 15281 1 696 . 1 1 57 57 VAL HG13 H 1 0.410 0.02 . 1 . . . . 57 VAL HG1 . 15281 1 697 . 1 1 57 57 VAL HG21 H 1 0.754 0.02 . 1 . . . . 57 VAL HG2 . 15281 1 698 . 1 1 57 57 VAL HG22 H 1 0.754 0.02 . 1 . . . . 57 VAL HG2 . 15281 1 699 . 1 1 57 57 VAL HG23 H 1 0.754 0.02 . 1 . . . . 57 VAL HG2 . 15281 1 700 . 1 1 57 57 VAL C C 13 172.465 0.15 . 1 . . . . 57 VAL C . 15281 1 701 . 1 1 57 57 VAL CA C 13 59.970 0.15 . 1 . . . . 57 VAL CA . 15281 1 702 . 1 1 57 57 VAL CB C 13 35.376 0.15 . 1 . . . . 57 VAL CB . 15281 1 703 . 1 1 57 57 VAL CG1 C 13 21.245 0.15 . 1 . . . . 57 VAL CG1 . 15281 1 704 . 1 1 57 57 VAL CG2 C 13 21.284 0.15 . 1 . . . . 57 VAL CG2 . 15281 1 705 . 1 1 57 57 VAL N N 15 121.448 0.15 . 1 . . . . 57 VAL N . 15281 1 706 . 1 1 58 58 LEU H H 1 8.855 0.02 . 1 . . . . 58 LEU H . 15281 1 707 . 1 1 58 58 LEU HA H 1 4.763 0.02 . 1 . . . . 58 LEU HA . 15281 1 708 . 1 1 58 58 LEU HB2 H 1 1.583 0.02 . 2 . . . . 58 LEU HB2 . 15281 1 709 . 1 1 58 58 LEU HB3 H 1 0.990 0.02 . 2 . . . . 58 LEU HB3 . 15281 1 710 . 1 1 58 58 LEU HD11 H 1 0.749 0.02 . 1 . . . . 58 LEU HD1 . 15281 1 711 . 1 1 58 58 LEU HD12 H 1 0.749 0.02 . 1 . . . . 58 LEU HD1 . 15281 1 712 . 1 1 58 58 LEU HD13 H 1 0.749 0.02 . 1 . . . . 58 LEU HD1 . 15281 1 713 . 1 1 58 58 LEU HD21 H 1 0.589 0.02 . 1 . . . . 58 LEU HD2 . 15281 1 714 . 1 1 58 58 LEU HD22 H 1 0.589 0.02 . 1 . . . . 58 LEU HD2 . 15281 1 715 . 1 1 58 58 LEU HD23 H 1 0.589 0.02 . 1 . . . . 58 LEU HD2 . 15281 1 716 . 1 1 58 58 LEU HG H 1 1.306 0.02 . 1 . . . . 58 LEU HG . 15281 1 717 . 1 1 58 58 LEU C C 13 175.349 0.15 . 1 . . . . 58 LEU C . 15281 1 718 . 1 1 58 58 LEU CA C 13 52.286 0.15 . 1 . . . . 58 LEU CA . 15281 1 719 . 1 1 58 58 LEU CB C 13 46.390 0.15 . 1 . . . . 58 LEU CB . 15281 1 720 . 1 1 58 58 LEU CD1 C 13 24.750 0.15 . 1 . . . . 58 LEU CD1 . 15281 1 721 . 1 1 58 58 LEU CD2 C 13 26.462 0.15 . 1 . . . . 58 LEU CD2 . 15281 1 722 . 1 1 58 58 LEU CG C 13 26.930 0.15 . 1 . . . . 58 LEU CG . 15281 1 723 . 1 1 58 58 LEU N N 15 124.476 0.15 . 1 . . . . 58 LEU N . 15281 1 724 . 1 1 59 59 LEU H H 1 9.265 0.02 . 1 . . . . 59 LEU H . 15281 1 725 . 1 1 59 59 LEU HA H 1 4.714 0.02 . 1 . . . . 59 LEU HA . 15281 1 726 . 1 1 59 59 LEU HB2 H 1 1.444 0.02 . 2 . . . . 59 LEU HB2 . 15281 1 727 . 1 1 59 59 LEU HB3 H 1 0.848 0.02 . 2 . . . . 59 LEU HB3 . 15281 1 728 . 1 1 59 59 LEU HD11 H 1 -0.321 0.02 . 1 . . . . 59 LEU HD1 . 15281 1 729 . 1 1 59 59 LEU HD12 H 1 -0.321 0.02 . 1 . . . . 59 LEU HD1 . 15281 1 730 . 1 1 59 59 LEU HD13 H 1 -0.321 0.02 . 1 . . . . 59 LEU HD1 . 15281 1 731 . 1 1 59 59 LEU HD21 H 1 -0.739 0.02 . 1 . . . . 59 LEU HD2 . 15281 1 732 . 1 1 59 59 LEU HD22 H 1 -0.739 0.02 . 1 . . . . 59 LEU HD2 . 15281 1 733 . 1 1 59 59 LEU HD23 H 1 -0.739 0.02 . 1 . . . . 59 LEU HD2 . 15281 1 734 . 1 1 59 59 LEU HG H 1 0.844 0.02 . 1 . . . . 59 LEU HG . 15281 1 735 . 1 1 59 59 LEU C C 13 175.262 0.15 . 1 . . . . 59 LEU C . 15281 1 736 . 1 1 59 59 LEU CA C 13 52.753 0.15 . 1 . . . . 59 LEU CA . 15281 1 737 . 1 1 59 59 LEU CB C 13 42.431 0.15 . 1 . . . . 59 LEU CB . 15281 1 738 . 1 1 59 59 LEU CD1 C 13 24.265 0.15 . 1 . . . . 59 LEU CD1 . 15281 1 739 . 1 1 59 59 LEU CD2 C 13 20.074 0.15 . 1 . . . . 59 LEU CD2 . 15281 1 740 . 1 1 59 59 LEU CG C 13 24.912 0.15 . 1 . . . . 59 LEU CG . 15281 1 741 . 1 1 59 59 LEU N N 15 125.973 0.15 . 1 . . . . 59 LEU N . 15281 1 742 . 1 1 60 60 ALA H H 1 8.331 0.02 . 1 . . . . 60 ALA H . 15281 1 743 . 1 1 60 60 ALA HA H 1 4.739 0.02 . 1 . . . . 60 ALA HA . 15281 1 744 . 1 1 60 60 ALA HB1 H 1 1.235 0.02 . 1 . . . . 60 ALA HB . 15281 1 745 . 1 1 60 60 ALA HB2 H 1 1.235 0.02 . 1 . . . . 60 ALA HB . 15281 1 746 . 1 1 60 60 ALA HB3 H 1 1.235 0.02 . 1 . . . . 60 ALA HB . 15281 1 747 . 1 1 60 60 ALA C C 13 175.631 0.15 . 1 . . . . 60 ALA C . 15281 1 748 . 1 1 60 60 ALA CA C 13 50.320 0.15 . 1 . . . . 60 ALA CA . 15281 1 749 . 1 1 60 60 ALA CB C 13 21.744 0.15 . 1 . . . . 60 ALA CB . 15281 1 750 . 1 1 60 60 ALA N N 15 124.617 0.15 . 1 . . . . 60 ALA N . 15281 1 751 . 1 1 61 61 VAL H H 1 8.944 0.02 . 1 . . . . 61 VAL H . 15281 1 752 . 1 1 61 61 VAL HA H 1 4.244 0.02 . 1 . . . . 61 VAL HA . 15281 1 753 . 1 1 61 61 VAL HB H 1 1.648 0.02 . 1 . . . . 61 VAL HB . 15281 1 754 . 1 1 61 61 VAL HG11 H 1 0.836 0.02 . 1 . . . . 61 VAL HG1 . 15281 1 755 . 1 1 61 61 VAL HG12 H 1 0.836 0.02 . 1 . . . . 61 VAL HG1 . 15281 1 756 . 1 1 61 61 VAL HG13 H 1 0.836 0.02 . 1 . . . . 61 VAL HG1 . 15281 1 757 . 1 1 61 61 VAL HG21 H 1 0.649 0.02 . 1 . . . . 61 VAL HG2 . 15281 1 758 . 1 1 61 61 VAL HG22 H 1 0.649 0.02 . 1 . . . . 61 VAL HG2 . 15281 1 759 . 1 1 61 61 VAL HG23 H 1 0.649 0.02 . 1 . . . . 61 VAL HG2 . 15281 1 760 . 1 1 61 61 VAL C C 13 174.674 0.15 . 1 . . . . 61 VAL C . 15281 1 761 . 1 1 61 61 VAL CA C 13 60.770 0.15 . 1 . . . . 61 VAL CA . 15281 1 762 . 1 1 61 61 VAL CB C 13 36.636 0.15 . 1 . . . . 61 VAL CB . 15281 1 763 . 1 1 61 61 VAL CG1 C 13 21.326 0.15 . 1 . . . . 61 VAL CG1 . 15281 1 764 . 1 1 61 61 VAL CG2 C 13 21.164 0.15 . 1 . . . . 61 VAL CG2 . 15281 1 765 . 1 1 61 61 VAL N N 15 124.079 0.15 . 1 . . . . 61 VAL N . 15281 1 766 . 1 1 62 62 GLU H H 1 8.490 0.02 . 1 . . . . 62 GLU H . 15281 1 767 . 1 1 62 62 GLU HA H 1 4.551 0.02 . 1 . . . . 62 GLU HA . 15281 1 768 . 1 1 62 62 GLU HB2 H 1 1.909 0.02 . 2 . . . . 62 GLU HB2 . 15281 1 769 . 1 1 62 62 GLU HB3 H 1 1.909 0.02 . 2 . . . . 62 GLU HB3 . 15281 1 770 . 1 1 62 62 GLU HG2 H 1 2.327 0.02 . 2 . . . . 62 GLU HG2 . 15281 1 771 . 1 1 62 62 GLU HG3 H 1 2.272 0.02 . 2 . . . . 62 GLU HG3 . 15281 1 772 . 1 1 62 62 GLU C C 13 177.700 0.15 . 1 . . . . 62 GLU C . 15281 1 773 . 1 1 62 62 GLU CA C 13 56.879 0.15 . 1 . . . . 62 GLU CA . 15281 1 774 . 1 1 62 62 GLU CB C 13 29.372 0.15 . 1 . . . . 62 GLU CB . 15281 1 775 . 1 1 62 62 GLU CG C 13 35.511 0.15 . 1 . . . . 62 GLU CG . 15281 1 776 . 1 1 62 62 GLU N N 15 127.752 0.15 . 1 . . . . 62 GLU N . 15281 1 777 . 1 1 63 63 ALA H H 1 9.173 0.02 . 1 . . . . 63 ALA H . 15281 1 778 . 1 1 63 63 ALA HA H 1 3.991 0.02 . 1 . . . . 63 ALA HA . 15281 1 779 . 1 1 63 63 ALA HB1 H 1 1.474 0.02 . 1 . . . . 63 ALA HB . 15281 1 780 . 1 1 63 63 ALA HB2 H 1 1.474 0.02 . 1 . . . . 63 ALA HB . 15281 1 781 . 1 1 63 63 ALA HB3 H 1 1.474 0.02 . 1 . . . . 63 ALA HB . 15281 1 782 . 1 1 63 63 ALA C C 13 180.311 0.15 . 1 . . . . 63 ALA C . 15281 1 783 . 1 1 63 63 ALA CA C 13 54.850 0.15 . 1 . . . . 63 ALA CA . 15281 1 784 . 1 1 63 63 ALA CB C 13 19.495 0.15 . 1 . . . . 63 ALA CB . 15281 1 785 . 1 1 63 63 ALA N N 15 127.466 0.15 . 1 . . . . 63 ALA N . 15281 1 786 . 1 1 64 64 GLU H H 1 9.571 0.02 . 1 . . . . 64 GLU H . 15281 1 787 . 1 1 64 64 GLU HA H 1 4.146 0.02 . 1 . . . . 64 GLU HA . 15281 1 788 . 1 1 64 64 GLU HB2 H 1 2.338 0.02 . 2 . . . . 64 GLU HB2 . 15281 1 789 . 1 1 64 64 GLU HB3 H 1 1.980 0.02 . 2 . . . . 64 GLU HB3 . 15281 1 790 . 1 1 64 64 GLU HG2 H 1 2.750 0.02 . 2 . . . . 64 GLU HG2 . 15281 1 791 . 1 1 64 64 GLU HG3 H 1 2.389 0.02 . 2 . . . . 64 GLU HG3 . 15281 1 792 . 1 1 64 64 GLU C C 13 177.102 0.15 . 1 . . . . 64 GLU C . 15281 1 793 . 1 1 64 64 GLU CA C 13 63.532 0.15 . 1 . . . . 64 GLU CA . 15281 1 794 . 1 1 64 64 GLU CB C 13 25.742 0.15 . 1 . . . . 64 GLU CB . 15281 1 795 . 1 1 64 64 GLU CG C 13 38.226 0.15 . 1 . . . . 64 GLU CG . 15281 1 796 . 1 1 64 64 GLU N N 15 120.368 0.15 . 1 . . . . 64 GLU N . 15281 1 797 . 1 1 65 65 PRO HA H 1 4.440 0.02 . 1 . . . . 65 PRO HA . 15281 1 798 . 1 1 65 65 PRO HB2 H 1 2.405 0.02 . 2 . . . . 65 PRO HB2 . 15281 1 799 . 1 1 65 65 PRO HB3 H 1 1.856 0.02 . 2 . . . . 65 PRO HB3 . 15281 1 800 . 1 1 65 65 PRO HD2 H 1 3.822 0.02 . 2 . . . . 65 PRO HD2 . 15281 1 801 . 1 1 65 65 PRO HD3 H 1 3.467 0.02 . 2 . . . . 65 PRO HD3 . 15281 1 802 . 1 1 65 65 PRO HG2 H 1 1.976 0.02 . 2 . . . . 65 PRO HG2 . 15281 1 803 . 1 1 65 65 PRO HG3 H 1 1.905 0.02 . 2 . . . . 65 PRO HG3 . 15281 1 804 . 1 1 65 65 PRO C C 13 177.332 0.15 . 1 . . . . 65 PRO C . 15281 1 805 . 1 1 65 65 PRO CA C 13 64.973 0.15 . 1 . . . . 65 PRO CA . 15281 1 806 . 1 1 65 65 PRO CB C 13 31.341 0.15 . 1 . . . . 65 PRO CB . 15281 1 807 . 1 1 65 65 PRO CD C 13 51.152 0.15 . 1 . . . . 65 PRO CD . 15281 1 808 . 1 1 65 65 PRO CG C 13 27.934 0.15 . 1 . . . . 65 PRO CG . 15281 1 809 . 1 1 66 66 LEU H H 1 7.412 0.02 . 1 . . . . 66 LEU H . 15281 1 810 . 1 1 66 66 LEU HA H 1 4.023 0.02 . 1 . . . . 66 LEU HA . 15281 1 811 . 1 1 66 66 LEU HB2 H 1 2.034 0.02 . 2 . . . . 66 LEU HB2 . 15281 1 812 . 1 1 66 66 LEU HB3 H 1 1.338 0.02 . 2 . . . . 66 LEU HB3 . 15281 1 813 . 1 1 66 66 LEU HD11 H 1 0.908 0.02 . 1 . . . . 66 LEU HD1 . 15281 1 814 . 1 1 66 66 LEU HD12 H 1 0.908 0.02 . 1 . . . . 66 LEU HD1 . 15281 1 815 . 1 1 66 66 LEU HD13 H 1 0.908 0.02 . 1 . . . . 66 LEU HD1 . 15281 1 816 . 1 1 66 66 LEU HD21 H 1 0.756 0.02 . 1 . . . . 66 LEU HD2 . 15281 1 817 . 1 1 66 66 LEU HD22 H 1 0.756 0.02 . 1 . . . . 66 LEU HD2 . 15281 1 818 . 1 1 66 66 LEU HD23 H 1 0.756 0.02 . 1 . . . . 66 LEU HD2 . 15281 1 819 . 1 1 66 66 LEU HG H 1 2.046 0.02 . 1 . . . . 66 LEU HG . 15281 1 820 . 1 1 66 66 LEU C C 13 178.533 0.15 . 1 . . . . 66 LEU C . 15281 1 821 . 1 1 66 66 LEU CA C 13 55.861 0.15 . 1 . . . . 66 LEU CA . 15281 1 822 . 1 1 66 66 LEU CB C 13 41.349 0.15 . 1 . . . . 66 LEU CB . 15281 1 823 . 1 1 66 66 LEU CD1 C 13 27.059 0.15 . 1 . . . . 66 LEU CD1 . 15281 1 824 . 1 1 66 66 LEU CD2 C 13 21.923 0.15 . 1 . . . . 66 LEU CD2 . 15281 1 825 . 1 1 66 66 LEU CG C 13 26.349 0.15 . 1 . . . . 66 LEU CG . 15281 1 826 . 1 1 66 66 LEU N N 15 114.991 0.15 . 1 . . . . 66 LEU N . 15281 1 827 . 1 1 67 67 GLY H H 1 7.733 0.02 . 1 . . . . 67 GLY H . 15281 1 828 . 1 1 67 67 GLY HA2 H 1 4.018 0.02 . 2 . . . . 67 GLY HA2 . 15281 1 829 . 1 1 67 67 GLY HA3 H 1 3.909 0.02 . 2 . . . . 67 GLY HA3 . 15281 1 830 . 1 1 67 67 GLY C C 13 175.925 0.15 . 1 . . . . 67 GLY C . 15281 1 831 . 1 1 67 67 GLY CA C 13 46.054 0.15 . 1 . . . . 67 GLY CA . 15281 1 832 . 1 1 67 67 GLY N N 15 104.242 0.15 . 1 . . . . 67 GLY N . 15281 1 833 . 1 1 68 68 GLU H H 1 8.887 0.02 . 1 . . . . 68 GLU H . 15281 1 834 . 1 1 68 68 GLU HA H 1 4.219 0.02 . 1 . . . . 68 GLU HA . 15281 1 835 . 1 1 68 68 GLU HB2 H 1 2.160 0.02 . 2 . . . . 68 GLU HB2 . 15281 1 836 . 1 1 68 68 GLU HB3 H 1 1.969 0.02 . 2 . . . . 68 GLU HB3 . 15281 1 837 . 1 1 68 68 GLU HG2 H 1 2.331 0.02 . 2 . . . . 68 GLU HG2 . 15281 1 838 . 1 1 68 68 GLU HG3 H 1 2.331 0.02 . 2 . . . . 68 GLU HG3 . 15281 1 839 . 1 1 68 68 GLU C C 13 176.314 0.15 . 1 . . . . 68 GLU C . 15281 1 840 . 1 1 68 68 GLU CA C 13 57.652 0.15 . 1 . . . . 68 GLU CA . 15281 1 841 . 1 1 68 68 GLU CB C 13 29.306 0.15 . 1 . . . . 68 GLU CB . 15281 1 842 . 1 1 68 68 GLU CG C 13 36.431 0.15 . 1 . . . . 68 GLU CG . 15281 1 843 . 1 1 68 68 GLU N N 15 121.253 0.15 . 1 . . . . 68 GLU N . 15281 1 844 . 1 1 69 69 ASP H H 1 7.630 0.02 . 1 . . . . 69 ASP H . 15281 1 845 . 1 1 69 69 ASP HA H 1 4.587 0.02 . 1 . . . . 69 ASP HA . 15281 1 846 . 1 1 69 69 ASP HB2 H 1 2.612 0.02 . 2 . . . . 69 ASP HB2 . 15281 1 847 . 1 1 69 69 ASP HB3 H 1 2.575 0.02 . 2 . . . . 69 ASP HB3 . 15281 1 848 . 1 1 69 69 ASP C C 13 174.665 0.15 . 1 . . . . 69 ASP C . 15281 1 849 . 1 1 69 69 ASP CA C 13 56.078 0.15 . 1 . . . . 69 ASP CA . 15281 1 850 . 1 1 69 69 ASP CB C 13 41.572 0.15 . 1 . . . . 69 ASP CB . 15281 1 851 . 1 1 69 69 ASP N N 15 116.486 0.15 . 1 . . . . 69 ASP N . 15281 1 852 . 1 1 70 70 LEU H H 1 7.433 0.02 . 1 . . . . 70 LEU H . 15281 1 853 . 1 1 70 70 LEU HA H 1 4.854 0.02 . 1 . . . . 70 LEU HA . 15281 1 854 . 1 1 70 70 LEU HB2 H 1 2.118 0.02 . 2 . . . . 70 LEU HB2 . 15281 1 855 . 1 1 70 70 LEU HB3 H 1 0.982 0.02 . 2 . . . . 70 LEU HB3 . 15281 1 856 . 1 1 70 70 LEU HD11 H 1 0.387 0.02 . 1 . . . . 70 LEU HD1 . 15281 1 857 . 1 1 70 70 LEU HD12 H 1 0.387 0.02 . 1 . . . . 70 LEU HD1 . 15281 1 858 . 1 1 70 70 LEU HD13 H 1 0.387 0.02 . 1 . . . . 70 LEU HD1 . 15281 1 859 . 1 1 70 70 LEU HD21 H 1 0.833 0.02 . 1 . . . . 70 LEU HD2 . 15281 1 860 . 1 1 70 70 LEU HD22 H 1 0.833 0.02 . 1 . . . . 70 LEU HD2 . 15281 1 861 . 1 1 70 70 LEU HD23 H 1 0.833 0.02 . 1 . . . . 70 LEU HD2 . 15281 1 862 . 1 1 70 70 LEU HG H 1 0.941 0.02 . 1 . . . . 70 LEU HG . 15281 1 863 . 1 1 70 70 LEU C C 13 174.259 0.15 . 1 . . . . 70 LEU C . 15281 1 864 . 1 1 70 70 LEU CA C 13 53.281 0.15 . 1 . . . . 70 LEU CA . 15281 1 865 . 1 1 70 70 LEU CB C 13 43.024 0.15 . 1 . . . . 70 LEU CB . 15281 1 866 . 1 1 70 70 LEU CD1 C 13 23.634 0.15 . 1 . . . . 70 LEU CD1 . 15281 1 867 . 1 1 70 70 LEU CD2 C 13 26.657 0.15 . 1 . . . . 70 LEU CD2 . 15281 1 868 . 1 1 70 70 LEU CG C 13 27.067 0.15 . 1 . . . . 70 LEU CG . 15281 1 869 . 1 1 70 70 LEU N N 15 121.585 0.15 . 1 . . . . 70 LEU N . 15281 1 870 . 1 1 71 71 LYS H H 1 9.114 0.02 . 1 . . . . 71 LYS H . 15281 1 871 . 1 1 71 71 LYS HA H 1 4.724 0.02 . 1 . . . . 71 LYS HA . 15281 1 872 . 1 1 71 71 LYS HB2 H 1 1.685 0.02 . 2 . . . . 71 LYS HB2 . 15281 1 873 . 1 1 71 71 LYS HB3 H 1 1.614 0.02 . 2 . . . . 71 LYS HB3 . 15281 1 874 . 1 1 71 71 LYS HD2 H 1 1.479 0.02 . 2 . . . . 71 LYS HD2 . 15281 1 875 . 1 1 71 71 LYS HD3 H 1 1.221 0.02 . 2 . . . . 71 LYS HD3 . 15281 1 876 . 1 1 71 71 LYS HE2 H 1 2.674 0.02 . 2 . . . . 71 LYS HE2 . 15281 1 877 . 1 1 71 71 LYS HE3 H 1 2.563 0.02 . 2 . . . . 71 LYS HE3 . 15281 1 878 . 1 1 71 71 LYS HG2 H 1 1.272 0.02 . 2 . . . . 71 LYS HG2 . 15281 1 879 . 1 1 71 71 LYS HG3 H 1 1.272 0.02 . 2 . . . . 71 LYS HG3 . 15281 1 880 . 1 1 71 71 LYS C C 13 175.146 0.15 . 1 . . . . 71 LYS C . 15281 1 881 . 1 1 71 71 LYS CA C 13 54.024 0.15 . 1 . . . . 71 LYS CA . 15281 1 882 . 1 1 71 71 LYS CB C 13 35.469 0.15 . 1 . . . . 71 LYS CB . 15281 1 883 . 1 1 71 71 LYS CD C 13 28.739 0.15 . 1 . . . . 71 LYS CD . 15281 1 884 . 1 1 71 71 LYS CE C 13 42.278 0.15 . 1 . . . . 71 LYS CE . 15281 1 885 . 1 1 71 71 LYS CG C 13 25.046 0.15 . 1 . . . . 71 LYS CG . 15281 1 886 . 1 1 71 71 LYS N N 15 126.179 0.15 . 1 . . . . 71 LYS N . 15281 1 887 . 1 1 72 72 TRP H H 1 8.981 0.02 . 1 . . . . 72 TRP H . 15281 1 888 . 1 1 72 72 TRP HA H 1 4.720 0.02 . 1 . . . . 72 TRP HA . 15281 1 889 . 1 1 72 72 TRP HB2 H 1 3.009 0.02 . 2 . . . . 72 TRP HB2 . 15281 1 890 . 1 1 72 72 TRP HB3 H 1 2.644 0.02 . 2 . . . . 72 TRP HB3 . 15281 1 891 . 1 1 72 72 TRP HD1 H 1 7.191 0.02 . 1 . . . . 72 TRP HD1 . 15281 1 892 . 1 1 72 72 TRP HE1 H 1 10.308 0.02 . 1 . . . . 72 TRP HE1 . 15281 1 893 . 1 1 72 72 TRP HE3 H 1 6.919 0.02 . 1 . . . . 72 TRP HE3 . 15281 1 894 . 1 1 72 72 TRP HH2 H 1 6.969 0.02 . 1 . . . . 72 TRP HH2 . 15281 1 895 . 1 1 72 72 TRP HZ2 H 1 7.130 0.02 . 1 . . . . 72 TRP HZ2 . 15281 1 896 . 1 1 72 72 TRP HZ3 H 1 6.963 0.02 . 1 . . . . 72 TRP HZ3 . 15281 1 897 . 1 1 72 72 TRP C C 13 176.394 0.15 . 1 . . . . 72 TRP C . 15281 1 898 . 1 1 72 72 TRP CA C 13 55.876 0.15 . 1 . . . . 72 TRP CA . 15281 1 899 . 1 1 72 72 TRP CB C 13 27.789 0.15 . 1 . . . . 72 TRP CB . 15281 1 900 . 1 1 72 72 TRP CD1 C 13 127.868 0.15 . 1 . . . . 72 TRP CD1 . 15281 1 901 . 1 1 72 72 TRP CE3 C 13 119.57 0.15 . 1 . . . . 72 TRP CE3 . 15281 1 902 . 1 1 72 72 TRP CH2 C 13 123.464 0.15 . 1 . . . . 72 TRP CH2 . 15281 1 903 . 1 1 72 72 TRP CZ2 C 13 113.986 0.15 . 1 . . . . 72 TRP CZ2 . 15281 1 904 . 1 1 72 72 TRP CZ3 C 13 121.30 0.15 . 1 . . . . 72 TRP CZ3 . 15281 1 905 . 1 1 72 72 TRP N N 15 125.904 0.15 . 1 . . . . 72 TRP N . 15281 1 906 . 1 1 72 72 TRP NE1 N 15 131.103 0.15 . 1 . . . . 72 TRP NE1 . 15281 1 907 . 1 1 73 73 GLU H H 1 8.558 0.02 . 1 . . . . 73 GLU H . 15281 1 908 . 1 1 73 73 GLU HA H 1 4.762 0.02 . 1 . . . . 73 GLU HA . 15281 1 909 . 1 1 73 73 GLU HB2 H 1 2.039 0.02 . 2 . . . . 73 GLU HB2 . 15281 1 910 . 1 1 73 73 GLU HB3 H 1 1.614 0.02 . 2 . . . . 73 GLU HB3 . 15281 1 911 . 1 1 73 73 GLU HG2 H 1 2.117 0.02 . 2 . . . . 73 GLU HG2 . 15281 1 912 . 1 1 73 73 GLU HG3 H 1 1.948 0.02 . 2 . . . . 73 GLU HG3 . 15281 1 913 . 1 1 73 73 GLU C C 13 175.459 0.15 . 1 . . . . 73 GLU C . 15281 1 914 . 1 1 73 73 GLU CA C 13 55.208 0.15 . 1 . . . . 73 GLU CA . 15281 1 915 . 1 1 73 73 GLU CB C 13 32.615 0.15 . 1 . . . . 73 GLU CB . 15281 1 916 . 1 1 73 73 GLU CG C 13 37.218 0.15 . 1 . . . . 73 GLU CG . 15281 1 917 . 1 1 73 73 GLU N N 15 123.290 0.15 . 1 . . . . 73 GLU N . 15281 1 918 . 1 1 74 74 ALA H H 1 8.962 0.02 . 1 . . . . 74 ALA H . 15281 1 919 . 1 1 74 74 ALA HA H 1 4.738 0.02 . 1 . . . . 74 ALA HA . 15281 1 920 . 1 1 74 74 ALA HB1 H 1 1.372 0.02 . 1 . . . . 74 ALA HB . 15281 1 921 . 1 1 74 74 ALA HB2 H 1 1.372 0.02 . 1 . . . . 74 ALA HB . 15281 1 922 . 1 1 74 74 ALA HB3 H 1 1.372 0.02 . 1 . . . . 74 ALA HB . 15281 1 923 . 1 1 74 74 ALA C C 13 177.803 0.15 . 1 . . . . 74 ALA C . 15281 1 924 . 1 1 74 74 ALA CA C 13 52.246 0.15 . 1 . . . . 74 ALA CA . 15281 1 925 . 1 1 74 74 ALA CB C 13 20.070 0.15 . 1 . . . . 74 ALA CB . 15281 1 926 . 1 1 74 74 ALA N N 15 127.315 0.15 . 1 . . . . 74 ALA N . 15281 1 927 . 1 1 75 75 SER H H 1 8.762 0.02 . 1 . . . . 75 SER H . 15281 1 928 . 1 1 75 75 SER HA H 1 4.850 0.02 . 1 . . . . 75 SER HA . 15281 1 929 . 1 1 75 75 SER HB2 H 1 4.275 0.02 . 2 . . . . 75 SER HB2 . 15281 1 930 . 1 1 75 75 SER HB3 H 1 4.125 0.02 . 2 . . . . 75 SER HB3 . 15281 1 931 . 1 1 75 75 SER C C 13 176.080 0.15 . 1 . . . . 75 SER C . 15281 1 932 . 1 1 75 75 SER CA C 13 56.954 0.15 . 1 . . . . 75 SER CA . 15281 1 933 . 1 1 75 75 SER CB C 13 65.244 0.15 . 1 . . . . 75 SER CB . 15281 1 934 . 1 1 75 75 SER N N 15 117.745 0.15 . 1 . . . . 75 SER N . 15281 1 935 . 1 1 76 76 ARG HA H 1 4.193 0.02 . 1 . . . . 76 ARG HA . 15281 1 936 . 1 1 76 76 ARG HB2 H 1 1.982 0.02 . 2 . . . . 76 ARG HB2 . 15281 1 937 . 1 1 76 76 ARG HB3 H 1 1.982 0.02 . 2 . . . . 76 ARG HB3 . 15281 1 938 . 1 1 76 76 ARG HD2 H 1 3.264 0.02 . 2 . . . . 76 ARG HD2 . 15281 1 939 . 1 1 76 76 ARG HD3 H 1 3.264 0.02 . 2 . . . . 76 ARG HD3 . 15281 1 940 . 1 1 76 76 ARG HE H 1 7.246 0.02 . 1 . . . . 76 ARG HE . 15281 1 941 . 1 1 76 76 ARG HG2 H 1 1.765 0.02 . 2 . . . . 76 ARG HG2 . 15281 1 942 . 1 1 76 76 ARG HG3 H 1 1.765 0.02 . 2 . . . . 76 ARG HG3 . 15281 1 943 . 1 1 76 76 ARG CA C 13 58.895 0.15 . 1 . . . . 76 ARG CA . 15281 1 944 . 1 1 76 76 ARG CB C 13 29.877 0.15 . 1 . . . . 76 ARG CB . 15281 1 945 . 1 1 76 76 ARG CD C 13 43.296 0.15 . 1 . . . . 76 ARG CD . 15281 1 946 . 1 1 76 76 ARG CG C 13 27.326 0.15 . 1 . . . . 76 ARG CG . 15281 1 947 . 1 1 77 77 GLY C C 13 175.277 0.15 . 1 . . . . 77 GLY C . 15281 1 948 . 1 1 78 78 GLY H H 1 8.045 0.02 . 1 . . . . 78 GLY H . 15281 1 949 . 1 1 78 78 GLY HA2 H 1 4.390 0.02 . 2 . . . . 78 GLY HA2 . 15281 1 950 . 1 1 78 78 GLY HA3 H 1 3.786 0.02 . 2 . . . . 78 GLY HA3 . 15281 1 951 . 1 1 78 78 GLY C C 13 173.503 0.15 . 1 . . . . 78 GLY C . 15281 1 952 . 1 1 78 78 GLY CA C 13 45.296 0.15 . 1 . . . . 78 GLY CA . 15281 1 953 . 1 1 78 78 GLY N N 15 110.323 0.15 . 1 . . . . 78 GLY N . 15281 1 954 . 1 1 79 79 ALA H H 1 7.879 0.02 . 1 . . . . 79 ALA H . 15281 1 955 . 1 1 79 79 ALA HA H 1 4.357 0.02 . 1 . . . . 79 ALA HA . 15281 1 956 . 1 1 79 79 ALA HB1 H 1 1.297 0.02 . 1 . . . . 79 ALA HB . 15281 1 957 . 1 1 79 79 ALA HB2 H 1 1.297 0.02 . 1 . . . . 79 ALA HB . 15281 1 958 . 1 1 79 79 ALA HB3 H 1 1.297 0.02 . 1 . . . . 79 ALA HB . 15281 1 959 . 1 1 79 79 ALA C C 13 176.674 0.15 . 1 . . . . 79 ALA C . 15281 1 960 . 1 1 79 79 ALA CA C 13 52.151 0.15 . 1 . . . . 79 ALA CA . 15281 1 961 . 1 1 79 79 ALA CB C 13 20.171 0.15 . 1 . . . . 79 ALA CB . 15281 1 962 . 1 1 79 79 ALA N N 15 123.865 0.15 . 1 . . . . 79 ALA N . 15281 1 963 . 1 1 80 80 ARG H H 1 8.375 0.02 . 1 . . . . 80 ARG H . 15281 1 964 . 1 1 80 80 ARG HA H 1 4.629 0.02 . 1 . . . . 80 ARG HA . 15281 1 965 . 1 1 80 80 ARG HB2 H 1 1.764 0.02 . 2 . . . . 80 ARG HB2 . 15281 1 966 . 1 1 80 80 ARG HB3 H 1 1.529 0.02 . 2 . . . . 80 ARG HB3 . 15281 1 967 . 1 1 80 80 ARG HD2 H 1 3.072 0.02 . 2 . . . . 80 ARG HD2 . 15281 1 968 . 1 1 80 80 ARG HD3 H 1 3.072 0.02 . 2 . . . . 80 ARG HD3 . 15281 1 969 . 1 1 80 80 ARG HE H 1 7.596 0.02 . 1 . . . . 80 ARG HE . 15281 1 970 . 1 1 80 80 ARG HG2 H 1 1.690 0.02 . 2 . . . . 80 ARG HG2 . 15281 1 971 . 1 1 80 80 ARG HG3 H 1 1.370 0.02 . 2 . . . . 80 ARG HG3 . 15281 1 972 . 1 1 80 80 ARG C C 13 175.713 0.15 . 1 . . . . 80 ARG C . 15281 1 973 . 1 1 80 80 ARG CA C 13 55.622 0.15 . 1 . . . . 80 ARG CA . 15281 1 974 . 1 1 80 80 ARG CB C 13 32.074 0.15 . 1 . . . . 80 ARG CB . 15281 1 975 . 1 1 80 80 ARG CD C 13 43.521 0.15 . 1 . . . . 80 ARG CD . 15281 1 976 . 1 1 80 80 ARG CG C 13 28.075 0.15 . 1 . . . . 80 ARG CG . 15281 1 977 . 1 1 80 80 ARG N N 15 119.145 0.15 . 1 . . . . 80 ARG N . 15281 1 978 . 1 1 80 80 ARG NE N 15 83.632 0.15 . 1 . . . . 80 ARG NE . 15281 1 979 . 1 1 81 81 PHE H H 1 8.722 0.02 . 1 . . . . 81 PHE H . 15281 1 980 . 1 1 81 81 PHE HA H 1 5.156 0.02 . 1 . . . . 81 PHE HA . 15281 1 981 . 1 1 81 81 PHE HB2 H 1 3.198 0.02 . 2 . . . . 81 PHE HB2 . 15281 1 982 . 1 1 81 81 PHE HB3 H 1 2.703 0.02 . 2 . . . . 81 PHE HB3 . 15281 1 983 . 1 1 81 81 PHE HD1 H 1 7.550 0.02 . 1 . . . . 81 PHE HD1 . 15281 1 984 . 1 1 81 81 PHE HD2 H 1 7.550 0.02 . 1 . . . . 81 PHE HD2 . 15281 1 985 . 1 1 81 81 PHE HE1 H 1 7.370 0.02 . 1 . . . . 81 PHE HE1 . 15281 1 986 . 1 1 81 81 PHE HE2 H 1 7.370 0.02 . 1 . . . . 81 PHE HE2 . 15281 1 987 . 1 1 81 81 PHE HZ H 1 7.411 0.02 . 1 . . . . 81 PHE HZ . 15281 1 988 . 1 1 81 81 PHE C C 13 172.806 0.15 . 1 . . . . 81 PHE C . 15281 1 989 . 1 1 81 81 PHE CA C 13 54.950 0.15 . 1 . . . . 81 PHE CA . 15281 1 990 . 1 1 81 81 PHE CB C 13 42.240 0.15 . 1 . . . . 81 PHE CB . 15281 1 991 . 1 1 81 81 PHE CD1 C 13 132.441 0.15 . 1 . . . . 81 PHE CD1 . 15281 1 992 . 1 1 81 81 PHE CD2 C 13 132.441 0.15 . 1 . . . . 81 PHE CD2 . 15281 1 993 . 1 1 81 81 PHE CE1 C 13 131.496 0.15 . 1 . . . . 81 PHE CE1 . 15281 1 994 . 1 1 81 81 PHE CE2 C 13 131.496 0.15 . 1 . . . . 81 PHE CE2 . 15281 1 995 . 1 1 81 81 PHE CZ C 13 130.04 0.15 . 1 . . . . 81 PHE CZ . 15281 1 996 . 1 1 81 81 PHE N N 15 123.774 0.15 . 1 . . . . 81 PHE N . 15281 1 997 . 1 1 82 82 PRO HA H 1 3.635 0.02 . 1 . . . . 82 PRO HA . 15281 1 998 . 1 1 82 82 PRO HB2 H 1 1.025 0.02 . 2 . . . . 82 PRO HB2 . 15281 1 999 . 1 1 82 82 PRO HB3 H 1 -0.394 0.02 . 2 . . . . 82 PRO HB3 . 15281 1 1000 . 1 1 82 82 PRO HD2 H 1 4.070 0.02 . 2 . . . . 82 PRO HD2 . 15281 1 1001 . 1 1 82 82 PRO HD3 H 1 3.719 0.02 . 2 . . . . 82 PRO HD3 . 15281 1 1002 . 1 1 82 82 PRO HG2 H 1 1.843 0.02 . 2 . . . . 82 PRO HG2 . 15281 1 1003 . 1 1 82 82 PRO HG3 H 1 1.337 0.02 . 2 . . . . 82 PRO HG3 . 15281 1 1004 . 1 1 82 82 PRO C C 13 174.511 0.15 . 1 . . . . 82 PRO C . 15281 1 1005 . 1 1 82 82 PRO CA C 13 61.347 0.15 . 1 . . . . 82 PRO CA . 15281 1 1006 . 1 1 82 82 PRO CB C 13 29.495 0.15 . 1 . . . . 82 PRO CB . 15281 1 1007 . 1 1 82 82 PRO CD C 13 49.571 0.15 . 1 . . . . 82 PRO CD . 15281 1 1008 . 1 1 82 82 PRO CG C 13 26.047 0.15 . 1 . . . . 82 PRO CG . 15281 1 1009 . 1 1 83 83 HIS H H 1 8.831 0.02 . 1 . . . . 83 HIS H . 15281 1 1010 . 1 1 83 83 HIS HA H 1 5.330 0.02 . 1 . . . . 83 HIS HA . 15281 1 1011 . 1 1 83 83 HIS HB2 H 1 3.014 0.02 . 2 . . . . 83 HIS HB2 . 15281 1 1012 . 1 1 83 83 HIS HB3 H 1 1.841 0.02 . 2 . . . . 83 HIS HB3 . 15281 1 1013 . 1 1 83 83 HIS HD2 H 1 7.093 0.02 . 1 . . . . 83 HIS HD2 . 15281 1 1014 . 1 1 83 83 HIS C C 13 172.952 0.15 . 1 . . . . 83 HIS C . 15281 1 1015 . 1 1 83 83 HIS CA C 13 50.700 0.15 . 1 . . . . 83 HIS CA . 15281 1 1016 . 1 1 83 83 HIS CB C 13 33.238 0.15 . 1 . . . . 83 HIS CB . 15281 1 1017 . 1 1 83 83 HIS CD2 C 13 118.50 0.15 . 1 . . . . 83 HIS CD2 . 15281 1 1018 . 1 1 83 83 HIS N N 15 124.483 0.15 . 1 . . . . 83 HIS N . 15281 1 1019 . 1 1 84 84 LEU H H 1 9.063 0.02 . 1 . . . . 84 LEU H . 15281 1 1020 . 1 1 84 84 LEU HA H 1 5.163 0.02 . 1 . . . . 84 LEU HA . 15281 1 1021 . 1 1 84 84 LEU HB2 H 1 2.042 0.02 . 2 . . . . 84 LEU HB2 . 15281 1 1022 . 1 1 84 84 LEU HB3 H 1 1.001 0.02 . 2 . . . . 84 LEU HB3 . 15281 1 1023 . 1 1 84 84 LEU HD11 H 1 0.849 0.02 . 2 . . . . 84 LEU HD1 . 15281 1 1024 . 1 1 84 84 LEU HD12 H 1 0.849 0.02 . 2 . . . . 84 LEU HD1 . 15281 1 1025 . 1 1 84 84 LEU HD13 H 1 0.849 0.02 . 2 . . . . 84 LEU HD1 . 15281 1 1026 . 1 1 84 84 LEU HD21 H 1 0.769 0.02 . 2 . . . . 84 LEU HD2 . 15281 1 1027 . 1 1 84 84 LEU HD22 H 1 0.769 0.02 . 2 . . . . 84 LEU HD2 . 15281 1 1028 . 1 1 84 84 LEU HD23 H 1 0.769 0.02 . 2 . . . . 84 LEU HD2 . 15281 1 1029 . 1 1 84 84 LEU HG H 1 1.930 0.02 . 1 . . . . 84 LEU HG . 15281 1 1030 . 1 1 84 84 LEU C C 13 176.699 0.15 . 1 . . . . 84 LEU C . 15281 1 1031 . 1 1 84 84 LEU CA C 13 53.829 0.15 . 1 . . . . 84 LEU CA . 15281 1 1032 . 1 1 84 84 LEU CB C 13 45.366 0.15 . 1 . . . . 84 LEU CB . 15281 1 1033 . 1 1 84 84 LEU CD1 C 13 27.038 0.15 . 2 . . . . 84 LEU CD1 . 15281 1 1034 . 1 1 84 84 LEU CD2 C 13 23.390 0.15 . 2 . . . . 84 LEU CD2 . 15281 1 1035 . 1 1 84 84 LEU CG C 13 27.035 0.15 . 1 . . . . 84 LEU CG . 15281 1 1036 . 1 1 84 84 LEU N N 15 125.218 0.15 . 1 . . . . 84 LEU N . 15281 1 1037 . 1 1 85 85 TYR H H 1 9.058 0.02 . 1 . . . . 85 TYR H . 15281 1 1038 . 1 1 85 85 TYR HA H 1 4.508 0.02 . 1 . . . . 85 TYR HA . 15281 1 1039 . 1 1 85 85 TYR HB2 H 1 3.572 0.02 . 2 . . . . 85 TYR HB2 . 15281 1 1040 . 1 1 85 85 TYR HB3 H 1 2.877 0.02 . 2 . . . . 85 TYR HB3 . 15281 1 1041 . 1 1 85 85 TYR HD1 H 1 7.213 0.02 . 1 . . . . 85 TYR HD1 . 15281 1 1042 . 1 1 85 85 TYR HD2 H 1 7.213 0.02 . 1 . . . . 85 TYR HD2 . 15281 1 1043 . 1 1 85 85 TYR HE1 H 1 6.526 0.02 . 1 . . . . 85 TYR HE1 . 15281 1 1044 . 1 1 85 85 TYR HE2 H 1 6.526 0.02 . 1 . . . . 85 TYR HE2 . 15281 1 1045 . 1 1 85 85 TYR C C 13 173.624 0.15 . 1 . . . . 85 TYR C . 15281 1 1046 . 1 1 85 85 TYR CA C 13 60.034 0.15 . 1 . . . . 85 TYR CA . 15281 1 1047 . 1 1 85 85 TYR CB C 13 36.073 0.15 . 1 . . . . 85 TYR CB . 15281 1 1048 . 1 1 85 85 TYR CD1 C 13 133.090 0.15 . 1 . . . . 85 TYR CD1 . 15281 1 1049 . 1 1 85 85 TYR CD2 C 13 133.090 0.15 . 1 . . . . 85 TYR CD2 . 15281 1 1050 . 1 1 85 85 TYR CE1 C 13 117.770 0.15 . 1 . . . . 85 TYR CE1 . 15281 1 1051 . 1 1 85 85 TYR CE2 C 13 117.770 0.15 . 1 . . . . 85 TYR CE2 . 15281 1 1052 . 1 1 85 85 TYR N N 15 131.339 0.15 . 1 . . . . 85 TYR N . 15281 1 1053 . 1 1 86 86 ARG H H 1 7.432 0.02 . 1 . . . . 86 ARG H . 15281 1 1054 . 1 1 86 86 ARG HA H 1 4.682 0.02 . 1 . . . . 86 ARG HA . 15281 1 1055 . 1 1 86 86 ARG HB2 H 1 2.287 0.02 . 2 . . . . 86 ARG HB2 . 15281 1 1056 . 1 1 86 86 ARG HB3 H 1 1.724 0.02 . 2 . . . . 86 ARG HB3 . 15281 1 1057 . 1 1 86 86 ARG HD2 H 1 3.111 0.02 . 2 . . . . 86 ARG HD2 . 15281 1 1058 . 1 1 86 86 ARG HD3 H 1 3.035 0.02 . 2 . . . . 86 ARG HD3 . 15281 1 1059 . 1 1 86 86 ARG HE H 1 7.583 0.02 . 1 . . . . 86 ARG HE . 15281 1 1060 . 1 1 86 86 ARG HG2 H 1 1.415 0.02 . 2 . . . . 86 ARG HG2 . 15281 1 1061 . 1 1 86 86 ARG HG3 H 1 1.221 0.02 . 2 . . . . 86 ARG HG3 . 15281 1 1062 . 1 1 86 86 ARG C C 13 171.917 0.15 . 1 . . . . 86 ARG C . 15281 1 1063 . 1 1 86 86 ARG CA C 13 54.953 0.15 . 1 . . . . 86 ARG CA . 15281 1 1064 . 1 1 86 86 ARG CB C 13 28.209 0.15 . 1 . . . . 86 ARG CB . 15281 1 1065 . 1 1 86 86 ARG CD C 13 43.652 0.15 . 1 . . . . 86 ARG CD . 15281 1 1066 . 1 1 86 86 ARG CG C 13 25.124 0.15 . 1 . . . . 86 ARG CG . 15281 1 1067 . 1 1 86 86 ARG N N 15 114.399 0.15 . 1 . . . . 86 ARG N . 15281 1 1068 . 1 1 86 86 ARG NE N 15 83.363 0.15 . 1 . . . . 86 ARG NE . 15281 1 1069 . 1 1 87 87 PRO HA H 1 4.303 0.02 . 1 . . . . 87 PRO HA . 15281 1 1070 . 1 1 87 87 PRO HB2 H 1 1.747 0.02 . 2 . . . . 87 PRO HB2 . 15281 1 1071 . 1 1 87 87 PRO HB3 H 1 1.501 0.02 . 2 . . . . 87 PRO HB3 . 15281 1 1072 . 1 1 87 87 PRO HD2 H 1 3.742 0.02 . 2 . . . . 87 PRO HD2 . 15281 1 1073 . 1 1 87 87 PRO HD3 H 1 3.540 0.02 . 2 . . . . 87 PRO HD3 . 15281 1 1074 . 1 1 87 87 PRO HG2 H 1 1.988 0.02 . 2 . . . . 87 PRO HG2 . 15281 1 1075 . 1 1 87 87 PRO HG3 H 1 1.915 0.02 . 2 . . . . 87 PRO HG3 . 15281 1 1076 . 1 1 87 87 PRO C C 13 175.771 0.15 . 1 . . . . 87 PRO C . 15281 1 1077 . 1 1 87 87 PRO CA C 13 63.497 0.15 . 1 . . . . 87 PRO CA . 15281 1 1078 . 1 1 87 87 PRO CB C 13 32.253 0.15 . 1 . . . . 87 PRO CB . 15281 1 1079 . 1 1 87 87 PRO CD C 13 50.636 0.15 . 1 . . . . 87 PRO CD . 15281 1 1080 . 1 1 87 87 PRO CG C 13 27.829 0.15 . 1 . . . . 87 PRO CG . 15281 1 1081 . 1 1 88 88 LEU H H 1 8.095 0.02 . 1 . . . . 88 LEU H . 15281 1 1082 . 1 1 88 88 LEU HA H 1 4.286 0.02 . 1 . . . . 88 LEU HA . 15281 1 1083 . 1 1 88 88 LEU HB2 H 1 2.087 0.02 . 2 . . . . 88 LEU HB2 . 15281 1 1084 . 1 1 88 88 LEU HB3 H 1 1.291 0.02 . 2 . . . . 88 LEU HB3 . 15281 1 1085 . 1 1 88 88 LEU HD11 H 1 0.900 0.02 . 1 . . . . 88 LEU HD1 . 15281 1 1086 . 1 1 88 88 LEU HD12 H 1 0.900 0.02 . 1 . . . . 88 LEU HD1 . 15281 1 1087 . 1 1 88 88 LEU HD13 H 1 0.900 0.02 . 1 . . . . 88 LEU HD1 . 15281 1 1088 . 1 1 88 88 LEU HD21 H 1 0.642 0.02 . 1 . . . . 88 LEU HD2 . 15281 1 1089 . 1 1 88 88 LEU HD22 H 1 0.642 0.02 . 1 . . . . 88 LEU HD2 . 15281 1 1090 . 1 1 88 88 LEU HD23 H 1 0.642 0.02 . 1 . . . . 88 LEU HD2 . 15281 1 1091 . 1 1 88 88 LEU HG H 1 1.677 0.02 . 1 . . . . 88 LEU HG . 15281 1 1092 . 1 1 88 88 LEU C C 13 175.946 0.15 . 1 . . . . 88 LEU C . 15281 1 1093 . 1 1 88 88 LEU CA C 13 53.675 0.15 . 1 . . . . 88 LEU CA . 15281 1 1094 . 1 1 88 88 LEU CB C 13 45.548 0.15 . 1 . . . . 88 LEU CB . 15281 1 1095 . 1 1 88 88 LEU CD1 C 13 24.102 0.15 . 1 . . . . 88 LEU CD1 . 15281 1 1096 . 1 1 88 88 LEU CD2 C 13 26.185 0.15 . 1 . . . . 88 LEU CD2 . 15281 1 1097 . 1 1 88 88 LEU CG C 13 26.272 0.15 . 1 . . . . 88 LEU CG . 15281 1 1098 . 1 1 88 88 LEU N N 15 125.942 0.15 . 1 . . . . 88 LEU N . 15281 1 1099 . 1 1 89 89 LEU H H 1 9.224 0.02 . 1 . . . . 89 LEU H . 15281 1 1100 . 1 1 89 89 LEU HA H 1 4.561 0.02 . 1 . . . . 89 LEU HA . 15281 1 1101 . 1 1 89 89 LEU HB2 H 1 1.707 0.02 . 2 . . . . 89 LEU HB2 . 15281 1 1102 . 1 1 89 89 LEU HB3 H 1 1.707 0.02 . 2 . . . . 89 LEU HB3 . 15281 1 1103 . 1 1 89 89 LEU HD11 H 1 0.864 0.02 . 1 . . . . 89 LEU HD1 . 15281 1 1104 . 1 1 89 89 LEU HD12 H 1 0.864 0.02 . 1 . . . . 89 LEU HD1 . 15281 1 1105 . 1 1 89 89 LEU HD13 H 1 0.864 0.02 . 1 . . . . 89 LEU HD1 . 15281 1 1106 . 1 1 89 89 LEU HD21 H 1 0.850 0.02 . 1 . . . . 89 LEU HD2 . 15281 1 1107 . 1 1 89 89 LEU HD22 H 1 0.850 0.02 . 1 . . . . 89 LEU HD2 . 15281 1 1108 . 1 1 89 89 LEU HD23 H 1 0.850 0.02 . 1 . . . . 89 LEU HD2 . 15281 1 1109 . 1 1 89 89 LEU HG H 1 1.712 0.02 . 1 . . . . 89 LEU HG . 15281 1 1110 . 1 1 89 89 LEU C C 13 179.295 0.15 . 1 . . . . 89 LEU C . 15281 1 1111 . 1 1 89 89 LEU CA C 13 55.212 0.15 . 1 . . . . 89 LEU CA . 15281 1 1112 . 1 1 89 89 LEU CB C 13 41.460 0.15 . 1 . . . . 89 LEU CB . 15281 1 1113 . 1 1 89 89 LEU CD1 C 13 25.624 0.15 . 1 . . . . 89 LEU CD1 . 15281 1 1114 . 1 1 89 89 LEU CD2 C 13 22.553 0.15 . 1 . . . . 89 LEU CD2 . 15281 1 1115 . 1 1 89 89 LEU CG C 13 27.145 0.15 . 1 . . . . 89 LEU CG . 15281 1 1116 . 1 1 89 89 LEU N N 15 128.295 0.15 . 1 . . . . 89 LEU N . 15281 1 1117 . 1 1 90 90 VAL H H 1 7.665 0.02 . 1 . . . . 90 VAL H . 15281 1 1118 . 1 1 90 90 VAL HA H 1 3.785 0.02 . 1 . . . . 90 VAL HA . 15281 1 1119 . 1 1 90 90 VAL HB H 1 1.948 0.02 . 1 . . . . 90 VAL HB . 15281 1 1120 . 1 1 90 90 VAL HG11 H 1 0.896 0.02 . 1 . . . . 90 VAL HG1 . 15281 1 1121 . 1 1 90 90 VAL HG12 H 1 0.896 0.02 . 1 . . . . 90 VAL HG1 . 15281 1 1122 . 1 1 90 90 VAL HG13 H 1 0.896 0.02 . 1 . . . . 90 VAL HG1 . 15281 1 1123 . 1 1 90 90 VAL HG21 H 1 0.715 0.02 . 1 . . . . 90 VAL HG2 . 15281 1 1124 . 1 1 90 90 VAL HG22 H 1 0.715 0.02 . 1 . . . . 90 VAL HG2 . 15281 1 1125 . 1 1 90 90 VAL HG23 H 1 0.715 0.02 . 1 . . . . 90 VAL HG2 . 15281 1 1126 . 1 1 90 90 VAL C C 13 178.510 0.15 . 1 . . . . 90 VAL C . 15281 1 1127 . 1 1 90 90 VAL CA C 13 66.833 0.15 . 1 . . . . 90 VAL CA . 15281 1 1128 . 1 1 90 90 VAL CB C 13 31.330 0.15 . 1 . . . . 90 VAL CB . 15281 1 1129 . 1 1 90 90 VAL CG1 C 13 21.165 0.15 . 1 . . . . 90 VAL CG1 . 15281 1 1130 . 1 1 90 90 VAL CG2 C 13 22.449 0.15 . 1 . . . . 90 VAL CG2 . 15281 1 1131 . 1 1 90 90 VAL N N 15 122.696 0.15 . 1 . . . . 90 VAL N . 15281 1 1132 . 1 1 91 91 SER H H 1 8.134 0.02 . 1 . . . . 91 SER H . 15281 1 1133 . 1 1 91 91 SER HA H 1 4.280 0.02 . 1 . . . . 91 SER HA . 15281 1 1134 . 1 1 91 91 SER HB2 H 1 4.083 0.02 . 2 . . . . 91 SER HB2 . 15281 1 1135 . 1 1 91 91 SER HB3 H 1 3.828 0.02 . 2 . . . . 91 SER HB3 . 15281 1 1136 . 1 1 91 91 SER C C 13 175.328 0.15 . 1 . . . . 91 SER C . 15281 1 1137 . 1 1 91 91 SER CA C 13 59.822 0.15 . 1 . . . . 91 SER CA . 15281 1 1138 . 1 1 91 91 SER CB C 13 62.512 0.15 . 1 . . . . 91 SER CB . 15281 1 1139 . 1 1 91 91 SER N N 15 112.443 0.15 . 1 . . . . 91 SER N . 15281 1 1140 . 1 1 92 92 GLU H H 1 7.598 0.02 . 1 . . . . 92 GLU H . 15281 1 1141 . 1 1 92 92 GLU HA H 1 4.221 0.02 . 1 . . . . 92 GLU HA . 15281 1 1142 . 1 1 92 92 GLU HB2 H 1 2.549 0.02 . 2 . . . . 92 GLU HB2 . 15281 1 1143 . 1 1 92 92 GLU HB3 H 1 2.081 0.02 . 2 . . . . 92 GLU HB3 . 15281 1 1144 . 1 1 92 92 GLU HG2 H 1 2.258 0.02 . 2 . . . . 92 GLU HG2 . 15281 1 1145 . 1 1 92 92 GLU HG3 H 1 2.258 0.02 . 2 . . . . 92 GLU HG3 . 15281 1 1146 . 1 1 92 92 GLU C C 13 175.722 0.15 . 1 . . . . 92 GLU C . 15281 1 1147 . 1 1 92 92 GLU CA C 13 56.594 0.15 . 1 . . . . 92 GLU CA . 15281 1 1148 . 1 1 92 92 GLU CB C 13 29.511 0.15 . 1 . . . . 92 GLU CB . 15281 1 1149 . 1 1 92 92 GLU CG C 13 38.193 0.15 . 1 . . . . 92 GLU CG . 15281 1 1150 . 1 1 92 92 GLU N N 15 120.359 0.15 . 1 . . . . 92 GLU N . 15281 1 1151 . 1 1 93 93 VAL H H 1 7.486 0.02 . 1 . . . . 93 VAL H . 15281 1 1152 . 1 1 93 93 VAL HA H 1 4.046 0.02 . 1 . . . . 93 VAL HA . 15281 1 1153 . 1 1 93 93 VAL HB H 1 2.455 0.02 . 1 . . . . 93 VAL HB . 15281 1 1154 . 1 1 93 93 VAL HG11 H 1 0.834 0.02 . 1 . . . . 93 VAL HG1 . 15281 1 1155 . 1 1 93 93 VAL HG12 H 1 0.834 0.02 . 1 . . . . 93 VAL HG1 . 15281 1 1156 . 1 1 93 93 VAL HG13 H 1 0.834 0.02 . 1 . . . . 93 VAL HG1 . 15281 1 1157 . 1 1 93 93 VAL HG21 H 1 0.975 0.02 . 1 . . . . 93 VAL HG2 . 15281 1 1158 . 1 1 93 93 VAL HG22 H 1 0.975 0.02 . 1 . . . . 93 VAL HG2 . 15281 1 1159 . 1 1 93 93 VAL HG23 H 1 0.975 0.02 . 1 . . . . 93 VAL HG2 . 15281 1 1160 . 1 1 93 93 VAL C C 13 176.093 0.15 . 1 . . . . 93 VAL C . 15281 1 1161 . 1 1 93 93 VAL CA C 13 63.242 0.15 . 1 . . . . 93 VAL CA . 15281 1 1162 . 1 1 93 93 VAL CB C 13 32.306 0.15 . 1 . . . . 93 VAL CB . 15281 1 1163 . 1 1 93 93 VAL CG1 C 13 22.491 0.15 . 1 . . . . 93 VAL CG1 . 15281 1 1164 . 1 1 93 93 VAL CG2 C 13 22.666 0.15 . 1 . . . . 93 VAL CG2 . 15281 1 1165 . 1 1 93 93 VAL N N 15 121.222 0.15 . 1 . . . . 93 VAL N . 15281 1 1166 . 1 1 94 94 THR H H 1 9.003 0.02 . 1 . . . . 94 THR H . 15281 1 1167 . 1 1 94 94 THR HA H 1 4.264 0.02 . 1 . . . . 94 THR HA . 15281 1 1168 . 1 1 94 94 THR HB H 1 3.969 0.02 . 1 . . . . 94 THR HB . 15281 1 1169 . 1 1 94 94 THR HG21 H 1 1.212 0.02 . 1 . . . . 94 THR HG2 . 15281 1 1170 . 1 1 94 94 THR HG22 H 1 1.212 0.02 . 1 . . . . 94 THR HG2 . 15281 1 1171 . 1 1 94 94 THR HG23 H 1 1.212 0.02 . 1 . . . . 94 THR HG2 . 15281 1 1172 . 1 1 94 94 THR C C 13 174.664 0.15 . 1 . . . . 94 THR C . 15281 1 1173 . 1 1 94 94 THR CA C 13 64.438 0.15 . 1 . . . . 94 THR CA . 15281 1 1174 . 1 1 94 94 THR CB C 13 69.317 0.15 . 1 . . . . 94 THR CB . 15281 1 1175 . 1 1 94 94 THR CG2 C 13 22.005 0.15 . 1 . . . . 94 THR CG2 . 15281 1 1176 . 1 1 94 94 THR N N 15 124.794 0.15 . 1 . . . . 94 THR N . 15281 1 1177 . 1 1 95 95 ARG H H 1 7.514 0.02 . 1 . . . . 95 ARG H . 15281 1 1178 . 1 1 95 95 ARG HA H 1 4.646 0.02 . 1 . . . . 95 ARG HA . 15281 1 1179 . 1 1 95 95 ARG HB2 H 1 1.769 0.02 . 2 . . . . 95 ARG HB2 . 15281 1 1180 . 1 1 95 95 ARG HB3 H 1 1.769 0.02 . 2 . . . . 95 ARG HB3 . 15281 1 1181 . 1 1 95 95 ARG HD2 H 1 3.201 0.02 . 2 . . . . 95 ARG HD2 . 15281 1 1182 . 1 1 95 95 ARG HD3 H 1 3.201 0.02 . 2 . . . . 95 ARG HD3 . 15281 1 1183 . 1 1 95 95 ARG HE H 1 7.409 0.02 . 1 . . . . 95 ARG HE . 15281 1 1184 . 1 1 95 95 ARG HG2 H 1 1.565 0.02 . 2 . . . . 95 ARG HG2 . 15281 1 1185 . 1 1 95 95 ARG HG3 H 1 1.490 0.02 . 2 . . . . 95 ARG HG3 . 15281 1 1186 . 1 1 95 95 ARG C C 13 172.989 0.15 . 1 . . . . 95 ARG C . 15281 1 1187 . 1 1 95 95 ARG CA C 13 55.872 0.15 . 1 . . . . 95 ARG CA . 15281 1 1188 . 1 1 95 95 ARG CB C 13 33.789 0.15 . 1 . . . . 95 ARG CB . 15281 1 1189 . 1 1 95 95 ARG CD C 13 43.369 0.15 . 1 . . . . 95 ARG CD . 15281 1 1190 . 1 1 95 95 ARG CG C 13 27.594 0.15 . 1 . . . . 95 ARG CG . 15281 1 1191 . 1 1 95 95 ARG N N 15 118.660 0.15 . 1 . . . . 95 ARG N . 15281 1 1192 . 1 1 95 95 ARG NE N 15 84.585 0.15 . 1 . . . . 95 ARG NE . 15281 1 1193 . 1 1 96 96 GLU H H 1 8.545 0.02 . 1 . . . . 96 GLU H . 15281 1 1194 . 1 1 96 96 GLU HA H 1 5.329 0.02 . 1 . . . . 96 GLU HA . 15281 1 1195 . 1 1 96 96 GLU HB2 H 1 1.690 0.02 . 2 . . . . 96 GLU HB2 . 15281 1 1196 . 1 1 96 96 GLU HB3 H 1 1.650 0.02 . 2 . . . . 96 GLU HB3 . 15281 1 1197 . 1 1 96 96 GLU HG2 H 1 2.183 0.02 . 2 . . . . 96 GLU HG2 . 15281 1 1198 . 1 1 96 96 GLU HG3 H 1 2.028 0.02 . 2 . . . . 96 GLU HG3 . 15281 1 1199 . 1 1 96 96 GLU C C 13 174.480 0.15 . 1 . . . . 96 GLU C . 15281 1 1200 . 1 1 96 96 GLU CA C 13 53.415 0.15 . 1 . . . . 96 GLU CA . 15281 1 1201 . 1 1 96 96 GLU CB C 13 33.592 0.15 . 1 . . . . 96 GLU CB . 15281 1 1202 . 1 1 96 96 GLU CG C 13 35.515 0.15 . 1 . . . . 96 GLU CG . 15281 1 1203 . 1 1 96 96 GLU N N 15 121.828 0.15 . 1 . . . . 96 GLU N . 15281 1 1204 . 1 1 97 97 ALA H H 1 8.276 0.02 . 1 . . . . 97 ALA H . 15281 1 1205 . 1 1 97 97 ALA HA H 1 4.537 0.02 . 1 . . . . 97 ALA HA . 15281 1 1206 . 1 1 97 97 ALA HB1 H 1 0.854 0.02 . 1 . . . . 97 ALA HB . 15281 1 1207 . 1 1 97 97 ALA HB2 H 1 0.854 0.02 . 1 . . . . 97 ALA HB . 15281 1 1208 . 1 1 97 97 ALA HB3 H 1 0.854 0.02 . 1 . . . . 97 ALA HB . 15281 1 1209 . 1 1 97 97 ALA C C 13 175.233 0.15 . 1 . . . . 97 ALA C . 15281 1 1210 . 1 1 97 97 ALA CA C 13 51.368 0.15 . 1 . . . . 97 ALA CA . 15281 1 1211 . 1 1 97 97 ALA CB C 13 22.101 0.15 . 1 . . . . 97 ALA CB . 15281 1 1212 . 1 1 97 97 ALA N N 15 123.211 0.15 . 1 . . . . 97 ALA N . 15281 1 1213 . 1 1 98 98 ASP H H 1 8.399 0.02 . 1 . . . . 98 ASP H . 15281 1 1214 . 1 1 98 98 ASP HA H 1 4.850 0.02 . 1 . . . . 98 ASP HA . 15281 1 1215 . 1 1 98 98 ASP HB2 H 1 2.725 0.02 . 2 . . . . 98 ASP HB2 . 15281 1 1216 . 1 1 98 98 ASP HB3 H 1 2.461 0.02 . 2 . . . . 98 ASP HB3 . 15281 1 1217 . 1 1 98 98 ASP C C 13 176.085 0.15 . 1 . . . . 98 ASP C . 15281 1 1218 . 1 1 98 98 ASP CA C 13 54.824 0.15 . 1 . . . . 98 ASP CA . 15281 1 1219 . 1 1 98 98 ASP CB C 13 41.694 0.15 . 1 . . . . 98 ASP CB . 15281 1 1220 . 1 1 98 98 ASP N N 15 122.093 0.15 . 1 . . . . 98 ASP N . 15281 1 1221 . 1 1 99 99 LEU H H 1 7.854 0.02 . 1 . . . . 99 LEU H . 15281 1 1222 . 1 1 99 99 LEU HA H 1 4.766 0.02 . 1 . . . . 99 LEU HA . 15281 1 1223 . 1 1 99 99 LEU HB2 H 1 1.692 0.02 . 2 . . . . 99 LEU HB2 . 15281 1 1224 . 1 1 99 99 LEU HB3 H 1 1.036 0.02 . 2 . . . . 99 LEU HB3 . 15281 1 1225 . 1 1 99 99 LEU HD11 H 1 0.521 0.02 . 1 . . . . 99 LEU HD1 . 15281 1 1226 . 1 1 99 99 LEU HD12 H 1 0.521 0.02 . 1 . . . . 99 LEU HD1 . 15281 1 1227 . 1 1 99 99 LEU HD13 H 1 0.521 0.02 . 1 . . . . 99 LEU HD1 . 15281 1 1228 . 1 1 99 99 LEU HD21 H 1 0.622 0.02 . 1 . . . . 99 LEU HD2 . 15281 1 1229 . 1 1 99 99 LEU HD22 H 1 0.622 0.02 . 1 . . . . 99 LEU HD2 . 15281 1 1230 . 1 1 99 99 LEU HD23 H 1 0.622 0.02 . 1 . . . . 99 LEU HD2 . 15281 1 1231 . 1 1 99 99 LEU HG H 1 1.376 0.02 . 1 . . . . 99 LEU HG . 15281 1 1232 . 1 1 99 99 LEU C C 13 176.250 0.15 . 1 . . . . 99 LEU C . 15281 1 1233 . 1 1 99 99 LEU CA C 13 53.544 0.15 . 1 . . . . 99 LEU CA . 15281 1 1234 . 1 1 99 99 LEU CB C 13 44.229 0.15 . 1 . . . . 99 LEU CB . 15281 1 1235 . 1 1 99 99 LEU CD1 C 13 25.776 0.15 . 1 . . . . 99 LEU CD1 . 15281 1 1236 . 1 1 99 99 LEU CD2 C 13 23.449 0.15 . 1 . . . . 99 LEU CD2 . 15281 1 1237 . 1 1 99 99 LEU CG C 13 25.957 0.15 . 1 . . . . 99 LEU CG . 15281 1 1238 . 1 1 99 99 LEU N N 15 120.272 0.15 . 1 . . . . 99 LEU N . 15281 1 1239 . 1 1 100 100 ASP H H 1 9.215 0.02 . 1 . . . . 100 ASP H . 15281 1 1240 . 1 1 100 100 ASP HA H 1 4.935 0.02 . 1 . . . . 100 ASP HA . 15281 1 1241 . 1 1 100 100 ASP HB2 H 1 2.709 0.02 . 2 . . . . 100 ASP HB2 . 15281 1 1242 . 1 1 100 100 ASP HB3 H 1 2.582 0.02 . 2 . . . . 100 ASP HB3 . 15281 1 1243 . 1 1 100 100 ASP C C 13 174.956 0.15 . 1 . . . . 100 ASP C . 15281 1 1244 . 1 1 100 100 ASP CA C 13 52.684 0.15 . 1 . . . . 100 ASP CA . 15281 1 1245 . 1 1 100 100 ASP CB C 13 43.362 0.15 . 1 . . . . 100 ASP CB . 15281 1 1246 . 1 1 100 100 ASP N N 15 123.325 0.15 . 1 . . . . 100 ASP N . 15281 1 1247 . 1 1 101 101 LEU H H 1 8.526 0.02 . 1 . . . . 101 LEU H . 15281 1 1248 . 1 1 101 101 LEU HA H 1 4.639 0.02 . 1 . . . . 101 LEU HA . 15281 1 1249 . 1 1 101 101 LEU HB2 H 1 1.812 0.02 . 2 . . . . 101 LEU HB2 . 15281 1 1250 . 1 1 101 101 LEU HB3 H 1 1.146 0.02 . 2 . . . . 101 LEU HB3 . 15281 1 1251 . 1 1 101 101 LEU HD11 H 1 0.719 0.02 . 1 . . . . 101 LEU HD1 . 15281 1 1252 . 1 1 101 101 LEU HD12 H 1 0.719 0.02 . 1 . . . . 101 LEU HD1 . 15281 1 1253 . 1 1 101 101 LEU HD13 H 1 0.719 0.02 . 1 . . . . 101 LEU HD1 . 15281 1 1254 . 1 1 101 101 LEU HD21 H 1 0.653 0.02 . 1 . . . . 101 LEU HD2 . 15281 1 1255 . 1 1 101 101 LEU HD22 H 1 0.653 0.02 . 1 . . . . 101 LEU HD2 . 15281 1 1256 . 1 1 101 101 LEU HD23 H 1 0.653 0.02 . 1 . . . . 101 LEU HD2 . 15281 1 1257 . 1 1 101 101 LEU HG H 1 1.655 0.02 . 1 . . . . 101 LEU HG . 15281 1 1258 . 1 1 101 101 LEU C C 13 178.204 0.15 . 1 . . . . 101 LEU C . 15281 1 1259 . 1 1 101 101 LEU CA C 13 53.490 0.15 . 1 . . . . 101 LEU CA . 15281 1 1260 . 1 1 101 101 LEU CB C 13 44.374 0.15 . 1 . . . . 101 LEU CB . 15281 1 1261 . 1 1 101 101 LEU CD1 C 13 24.516 0.15 . 1 . . . . 101 LEU CD1 . 15281 1 1262 . 1 1 101 101 LEU CD2 C 13 21.139 0.15 . 1 . . . . 101 LEU CD2 . 15281 1 1263 . 1 1 101 101 LEU CG C 13 26.790 0.15 . 1 . . . . 101 LEU CG . 15281 1 1264 . 1 1 101 101 LEU N N 15 118.539 0.15 . 1 . . . . 101 LEU N . 15281 1 1265 . 1 1 102 102 ASP H H 1 8.029 0.02 . 1 . . . . 102 ASP H . 15281 1 1266 . 1 1 102 102 ASP HA H 1 4.615 0.02 . 1 . . . . 102 ASP HA . 15281 1 1267 . 1 1 102 102 ASP HB2 H 1 3.348 0.02 . 2 . . . . 102 ASP HB2 . 15281 1 1268 . 1 1 102 102 ASP HB3 H 1 2.611 0.02 . 2 . . . . 102 ASP HB3 . 15281 1 1269 . 1 1 102 102 ASP C C 13 178.176 0.15 . 1 . . . . 102 ASP C . 15281 1 1270 . 1 1 102 102 ASP CA C 13 52.297 0.15 . 1 . . . . 102 ASP CA . 15281 1 1271 . 1 1 102 102 ASP CB C 13 41.108 0.15 . 1 . . . . 102 ASP CB . 15281 1 1272 . 1 1 102 102 ASP N N 15 121.008 0.15 . 1 . . . . 102 ASP N . 15281 1 1273 . 1 1 103 103 ALA H H 1 8.384 0.02 . 1 . . . . 103 ALA H . 15281 1 1274 . 1 1 103 103 ALA HA H 1 4.099 0.02 . 1 . . . . 103 ALA HA . 15281 1 1275 . 1 1 103 103 ALA HB1 H 1 1.417 0.02 . 1 . . . . 103 ALA HB . 15281 1 1276 . 1 1 103 103 ALA HB2 H 1 1.417 0.02 . 1 . . . . 103 ALA HB . 15281 1 1277 . 1 1 103 103 ALA HB3 H 1 1.417 0.02 . 1 . . . . 103 ALA HB . 15281 1 1278 . 1 1 103 103 ALA C C 13 178.527 0.15 . 1 . . . . 103 ALA C . 15281 1 1279 . 1 1 103 103 ALA CA C 13 54.648 0.15 . 1 . . . . 103 ALA CA . 15281 1 1280 . 1 1 103 103 ALA CB C 13 18.604 0.15 . 1 . . . . 103 ALA CB . 15281 1 1281 . 1 1 103 103 ALA N N 15 120.139 0.15 . 1 . . . . 103 ALA N . 15281 1 1282 . 1 1 104 104 ASP H H 1 8.033 0.02 . 1 . . . . 104 ASP H . 15281 1 1283 . 1 1 104 104 ASP HA H 1 4.811 0.02 . 1 . . . . 104 ASP HA . 15281 1 1284 . 1 1 104 104 ASP HB2 H 1 2.834 0.02 . 2 . . . . 104 ASP HB2 . 15281 1 1285 . 1 1 104 104 ASP HB3 H 1 2.673 0.02 . 2 . . . . 104 ASP HB3 . 15281 1 1286 . 1 1 104 104 ASP C C 13 176.113 0.15 . 1 . . . . 104 ASP C . 15281 1 1287 . 1 1 104 104 ASP CA C 13 54.077 0.15 . 1 . . . . 104 ASP CA . 15281 1 1288 . 1 1 104 104 ASP CB C 13 41.899 0.15 . 1 . . . . 104 ASP CB . 15281 1 1289 . 1 1 104 104 ASP N N 15 116.590 0.15 . 1 . . . . 104 ASP N . 15281 1 1290 . 1 1 105 105 GLY H H 1 8.196 0.02 . 1 . . . . 105 GLY H . 15281 1 1291 . 1 1 105 105 GLY HA2 H 1 4.293 0.02 . 2 . . . . 105 GLY HA2 . 15281 1 1292 . 1 1 105 105 GLY HA3 H 1 3.657 0.02 . 2 . . . . 105 GLY HA3 . 15281 1 1293 . 1 1 105 105 GLY C C 13 173.635 0.15 . 1 . . . . 105 GLY C . 15281 1 1294 . 1 1 105 105 GLY CA C 13 45.741 0.15 . 1 . . . . 105 GLY CA . 15281 1 1295 . 1 1 105 105 GLY N N 15 107.882 0.15 . 1 . . . . 105 GLY N . 15281 1 1296 . 1 1 106 106 VAL H H 1 8.886 0.02 . 1 . . . . 106 VAL H . 15281 1 1297 . 1 1 106 106 VAL HA H 1 4.082 0.02 . 1 . . . . 106 VAL HA . 15281 1 1298 . 1 1 106 106 VAL HB H 1 2.304 0.02 . 1 . . . . 106 VAL HB . 15281 1 1299 . 1 1 106 106 VAL HG11 H 1 0.849 0.02 . 1 . . . . 106 VAL HG1 . 15281 1 1300 . 1 1 106 106 VAL HG12 H 1 0.849 0.02 . 1 . . . . 106 VAL HG1 . 15281 1 1301 . 1 1 106 106 VAL HG13 H 1 0.849 0.02 . 1 . . . . 106 VAL HG1 . 15281 1 1302 . 1 1 106 106 VAL HG21 H 1 0.904 0.02 . 1 . . . . 106 VAL HG2 . 15281 1 1303 . 1 1 106 106 VAL HG22 H 1 0.904 0.02 . 1 . . . . 106 VAL HG2 . 15281 1 1304 . 1 1 106 106 VAL HG23 H 1 0.904 0.02 . 1 . . . . 106 VAL HG2 . 15281 1 1305 . 1 1 106 106 VAL C C 13 175.529 0.15 . 1 . . . . 106 VAL C . 15281 1 1306 . 1 1 106 106 VAL CA C 13 61.360 0.15 . 1 . . . . 106 VAL CA . 15281 1 1307 . 1 1 106 106 VAL CB C 13 32.373 0.15 . 1 . . . . 106 VAL CB . 15281 1 1308 . 1 1 106 106 VAL CG1 C 13 20.394 0.15 . 1 . . . . 106 VAL CG1 . 15281 1 1309 . 1 1 106 106 VAL CG2 C 13 22.470 0.15 . 1 . . . . 106 VAL CG2 . 15281 1 1310 . 1 1 106 106 VAL N N 15 125.585 0.15 . 1 . . . . 106 VAL N . 15281 1 1311 . 1 1 107 107 PRO HA H 1 4.737 0.02 . 1 . . . . 107 PRO HA . 15281 1 1312 . 1 1 107 107 PRO HB2 H 1 1.963 0.02 . 2 . . . . 107 PRO HB2 . 15281 1 1313 . 1 1 107 107 PRO HB3 H 1 1.576 0.02 . 2 . . . . 107 PRO HB3 . 15281 1 1314 . 1 1 107 107 PRO HD2 H 1 4.206 0.02 . 2 . . . . 107 PRO HD2 . 15281 1 1315 . 1 1 107 107 PRO HD3 H 1 3.179 0.02 . 2 . . . . 107 PRO HD3 . 15281 1 1316 . 1 1 107 107 PRO HG2 H 1 1.890 0.02 . 2 . . . . 107 PRO HG2 . 15281 1 1317 . 1 1 107 107 PRO HG3 H 1 1.753 0.02 . 2 . . . . 107 PRO HG3 . 15281 1 1318 . 1 1 107 107 PRO C C 13 176.029 0.15 . 1 . . . . 107 PRO C . 15281 1 1319 . 1 1 107 107 PRO CA C 13 62.674 0.15 . 1 . . . . 107 PRO CA . 15281 1 1320 . 1 1 107 107 PRO CB C 13 31.789 0.15 . 1 . . . . 107 PRO CB . 15281 1 1321 . 1 1 107 107 PRO CD C 13 51.318 0.15 . 1 . . . . 107 PRO CD . 15281 1 1322 . 1 1 107 107 PRO CG C 13 28.235 0.15 . 1 . . . . 107 PRO CG . 15281 1 1323 . 1 1 108 108 GLN H H 1 8.563 0.02 . 1 . . . . 108 GLN H . 15281 1 1324 . 1 1 108 108 GLN HA H 1 4.498 0.02 . 1 . . . . 108 GLN HA . 15281 1 1325 . 1 1 108 108 GLN HB2 H 1 2.146 0.02 . 2 . . . . 108 GLN HB2 . 15281 1 1326 . 1 1 108 108 GLN HB3 H 1 2.058 0.02 . 2 . . . . 108 GLN HB3 . 15281 1 1327 . 1 1 108 108 GLN HE21 H 1 7.180 0.02 . 1 . . . . 108 GLN HE21 . 15281 1 1328 . 1 1 108 108 GLN HE22 H 1 6.986 0.02 . 1 . . . . 108 GLN HE22 . 15281 1 1329 . 1 1 108 108 GLN HG2 H 1 2.429 0.02 . 2 . . . . 108 GLN HG2 . 15281 1 1330 . 1 1 108 108 GLN HG3 H 1 2.429 0.02 . 2 . . . . 108 GLN HG3 . 15281 1 1331 . 1 1 108 108 GLN C C 13 176.218 0.15 . 1 . . . . 108 GLN C . 15281 1 1332 . 1 1 108 108 GLN CA C 13 54.901 0.15 . 1 . . . . 108 GLN CA . 15281 1 1333 . 1 1 108 108 GLN CB C 13 29.514 0.15 . 1 . . . . 108 GLN CB . 15281 1 1334 . 1 1 108 108 GLN CD C 13 180.223 0.15 . 1 . . . . 108 GLN CD . 15281 1 1335 . 1 1 108 108 GLN CG C 13 33.990 0.15 . 1 . . . . 108 GLN CG . 15281 1 1336 . 1 1 108 108 GLN N N 15 122.641 0.15 . 1 . . . . 108 GLN N . 15281 1 1337 . 1 1 108 108 GLN NE2 N 15 114.932 0.15 . 1 . . . . 108 GLN NE2 . 15281 1 1338 . 1 1 109 109 LEU H H 1 8.853 0.02 . 1 . . . . 109 LEU H . 15281 1 1339 . 1 1 109 109 LEU HA H 1 4.330 0.02 . 1 . . . . 109 LEU HA . 15281 1 1340 . 1 1 109 109 LEU HB2 H 1 1.574 0.02 . 2 . . . . 109 LEU HB2 . 15281 1 1341 . 1 1 109 109 LEU HB3 H 1 1.491 0.02 . 2 . . . . 109 LEU HB3 . 15281 1 1342 . 1 1 109 109 LEU HD11 H 1 0.583 0.02 . 1 . . . . 109 LEU HD1 . 15281 1 1343 . 1 1 109 109 LEU HD12 H 1 0.583 0.02 . 1 . . . . 109 LEU HD1 . 15281 1 1344 . 1 1 109 109 LEU HD13 H 1 0.583 0.02 . 1 . . . . 109 LEU HD1 . 15281 1 1345 . 1 1 109 109 LEU HD21 H 1 0.519 0.02 . 1 . . . . 109 LEU HD2 . 15281 1 1346 . 1 1 109 109 LEU HD22 H 1 0.519 0.02 . 1 . . . . 109 LEU HD2 . 15281 1 1347 . 1 1 109 109 LEU HD23 H 1 0.519 0.02 . 1 . . . . 109 LEU HD2 . 15281 1 1348 . 1 1 109 109 LEU HG H 1 1.502 0.02 . 1 . . . . 109 LEU HG . 15281 1 1349 . 1 1 109 109 LEU C C 13 178.151 0.15 . 1 . . . . 109 LEU C . 15281 1 1350 . 1 1 109 109 LEU CA C 13 56.522 0.15 . 1 . . . . 109 LEU CA . 15281 1 1351 . 1 1 109 109 LEU CB C 13 41.883 0.15 . 1 . . . . 109 LEU CB . 15281 1 1352 . 1 1 109 109 LEU CD1 C 13 26.160 0.15 . 1 . . . . 109 LEU CD1 . 15281 1 1353 . 1 1 109 109 LEU CD2 C 13 26.725 0.15 . 1 . . . . 109 LEU CD2 . 15281 1 1354 . 1 1 109 109 LEU CG C 13 29.942 0.15 . 1 . . . . 109 LEU CG . 15281 1 1355 . 1 1 109 109 LEU N N 15 125.974 0.15 . 1 . . . . 109 LEU N . 15281 1 1356 . 1 1 110 110 GLY H H 1 8.809 0.02 . 1 . . . . 110 GLY H . 15281 1 1357 . 1 1 110 110 GLY HA2 H 1 3.952 0.02 . 2 . . . . 110 GLY HA2 . 15281 1 1358 . 1 1 110 110 GLY HA3 H 1 3.551 0.02 . 2 . . . . 110 GLY HA3 . 15281 1 1359 . 1 1 110 110 GLY C C 13 176.002 0.15 . 1 . . . . 110 GLY C . 15281 1 1360 . 1 1 110 110 GLY CA C 13 48.748 0.15 . 1 . . . . 110 GLY CA . 15281 1 1361 . 1 1 110 110 GLY N N 15 109.442 0.15 . 1 . . . . 110 GLY N . 15281 1 1362 . 1 1 111 111 ASP H H 1 8.674 0.02 . 1 . . . . 111 ASP H . 15281 1 1363 . 1 1 111 111 ASP HA H 1 4.317 0.02 . 1 . . . . 111 ASP HA . 15281 1 1364 . 1 1 111 111 ASP HB2 H 1 2.336 0.02 . 2 . . . . 111 ASP HB2 . 15281 1 1365 . 1 1 111 111 ASP HB3 H 1 1.946 0.02 . 2 . . . . 111 ASP HB3 . 15281 1 1366 . 1 1 111 111 ASP C C 13 177.159 0.15 . 1 . . . . 111 ASP C . 15281 1 1367 . 1 1 111 111 ASP CA C 13 56.239 0.15 . 1 . . . . 111 ASP CA . 15281 1 1368 . 1 1 111 111 ASP CB C 13 39.791 0.15 . 1 . . . . 111 ASP CB . 15281 1 1369 . 1 1 111 111 ASP N N 15 119.503 0.15 . 1 . . . . 111 ASP N . 15281 1 1370 . 1 1 112 112 HIS H H 1 7.471 0.02 . 1 . . . . 112 HIS H . 15281 1 1371 . 1 1 112 112 HIS HA H 1 4.481 0.02 . 1 . . . . 112 HIS HA . 15281 1 1372 . 1 1 112 112 HIS HB2 H 1 2.952 0.02 . 2 . . . . 112 HIS HB2 . 15281 1 1373 . 1 1 112 112 HIS HB3 H 1 2.650 0.02 . 2 . . . . 112 HIS HB3 . 15281 1 1374 . 1 1 112 112 HIS HD2 H 1 6.855 0.02 . 1 . . . . 112 HIS HD2 . 15281 1 1375 . 1 1 112 112 HIS HE1 H 1 7.833 0.02 . 1 . . . . 112 HIS HE1 . 15281 1 1376 . 1 1 112 112 HIS C C 13 177.121 0.15 . 1 . . . . 112 HIS C . 15281 1 1377 . 1 1 112 112 HIS CA C 13 56.692 0.15 . 1 . . . . 112 HIS CA . 15281 1 1378 . 1 1 112 112 HIS CB C 13 31.648 0.15 . 1 . . . . 112 HIS CB . 15281 1 1379 . 1 1 112 112 HIS CD2 C 13 118.178 0.15 . 1 . . . . 112 HIS CD2 . 15281 1 1380 . 1 1 112 112 HIS CE1 C 13 139.52 0.15 . 1 . . . . 112 HIS CE1 . 15281 1 1381 . 1 1 112 112 HIS N N 15 116.681 0.15 . 1 . . . . 112 HIS N . 15281 1 1382 . 1 1 113 113 LEU H H 1 7.526 0.02 . 1 . . . . 113 LEU H . 15281 1 1383 . 1 1 113 113 LEU HA H 1 4.148 0.02 . 1 . . . . 113 LEU HA . 15281 1 1384 . 1 1 113 113 LEU HB2 H 1 1.594 0.02 . 2 . . . . 113 LEU HB2 . 15281 1 1385 . 1 1 113 113 LEU HB3 H 1 1.357 0.02 . 2 . . . . 113 LEU HB3 . 15281 1 1386 . 1 1 113 113 LEU HD11 H 1 0.689 0.02 . 1 . . . . 113 LEU HD1 . 15281 1 1387 . 1 1 113 113 LEU HD12 H 1 0.689 0.02 . 1 . . . . 113 LEU HD1 . 15281 1 1388 . 1 1 113 113 LEU HD13 H 1 0.689 0.02 . 1 . . . . 113 LEU HD1 . 15281 1 1389 . 1 1 113 113 LEU HD21 H 1 0.117 0.02 . 1 . . . . 113 LEU HD2 . 15281 1 1390 . 1 1 113 113 LEU HD22 H 1 0.117 0.02 . 1 . . . . 113 LEU HD2 . 15281 1 1391 . 1 1 113 113 LEU HD23 H 1 0.117 0.02 . 1 . . . . 113 LEU HD2 . 15281 1 1392 . 1 1 113 113 LEU HG H 1 1.483 0.02 . 1 . . . . 113 LEU HG . 15281 1 1393 . 1 1 113 113 LEU C C 13 177.363 0.15 . 1 . . . . 113 LEU C . 15281 1 1394 . 1 1 113 113 LEU CA C 13 55.509 0.15 . 1 . . . . 113 LEU CA . 15281 1 1395 . 1 1 113 113 LEU CB C 13 42.009 0.15 . 1 . . . . 113 LEU CB . 15281 1 1396 . 1 1 113 113 LEU CD1 C 13 25.942 0.15 . 1 . . . . 113 LEU CD1 . 15281 1 1397 . 1 1 113 113 LEU CD2 C 13 21.531 0.15 . 1 . . . . 113 LEU CD2 . 15281 1 1398 . 1 1 113 113 LEU CG C 13 26.065 0.15 . 1 . . . . 113 LEU CG . 15281 1 1399 . 1 1 113 113 LEU N N 15 118.976 0.15 . 1 . . . . 113 LEU N . 15281 1 1400 . 1 1 114 114 ALA H H 1 7.648 0.02 . 1 . . . . 114 ALA H . 15281 1 1401 . 1 1 114 114 ALA HA H 1 4.227 0.02 . 1 . . . . 114 ALA HA . 15281 1 1402 . 1 1 114 114 ALA HB1 H 1 1.373 0.02 . 1 . . . . 114 ALA HB . 15281 1 1403 . 1 1 114 114 ALA HB2 H 1 1.373 0.02 . 1 . . . . 114 ALA HB . 15281 1 1404 . 1 1 114 114 ALA HB3 H 1 1.373 0.02 . 1 . . . . 114 ALA HB . 15281 1 1405 . 1 1 114 114 ALA C C 13 177.692 0.15 . 1 . . . . 114 ALA C . 15281 1 1406 . 1 1 114 114 ALA CA C 13 52.828 0.15 . 1 . . . . 114 ALA CA . 15281 1 1407 . 1 1 114 114 ALA CB C 13 18.497 0.15 . 1 . . . . 114 ALA CB . 15281 1 1408 . 1 1 114 114 ALA N N 15 121.893 0.15 . 1 . . . . 114 ALA N . 15281 1 1409 . 1 1 115 115 LEU H H 1 7.764 0.02 . 1 . . . . 115 LEU H . 15281 1 1410 . 1 1 115 115 LEU HA H 1 4.146 0.02 . 1 . . . . 115 LEU HA . 15281 1 1411 . 1 1 115 115 LEU HB2 H 1 1.632 0.02 . 2 . . . . 115 LEU HB2 . 15281 1 1412 . 1 1 115 115 LEU HB3 H 1 1.487 0.02 . 2 . . . . 115 LEU HB3 . 15281 1 1413 . 1 1 115 115 LEU HD11 H 1 0.895 0.02 . 1 . . . . 115 LEU HD1 . 15281 1 1414 . 1 1 115 115 LEU HD12 H 1 0.895 0.02 . 1 . . . . 115 LEU HD1 . 15281 1 1415 . 1 1 115 115 LEU HD13 H 1 0.895 0.02 . 1 . . . . 115 LEU HD1 . 15281 1 1416 . 1 1 115 115 LEU HD21 H 1 0.809 0.02 . 1 . . . . 115 LEU HD2 . 15281 1 1417 . 1 1 115 115 LEU HD22 H 1 0.809 0.02 . 1 . . . . 115 LEU HD2 . 15281 1 1418 . 1 1 115 115 LEU HD23 H 1 0.809 0.02 . 1 . . . . 115 LEU HD2 . 15281 1 1419 . 1 1 115 115 LEU HG H 1 1.644 0.02 . 1 . . . . 115 LEU HG . 15281 1 1420 . 1 1 115 115 LEU C C 13 177.819 0.15 . 1 . . . . 115 LEU C . 15281 1 1421 . 1 1 115 115 LEU CA C 13 55.771 0.15 . 1 . . . . 115 LEU CA . 15281 1 1422 . 1 1 115 115 LEU CB C 13 42.000 0.15 . 1 . . . . 115 LEU CB . 15281 1 1423 . 1 1 115 115 LEU CD1 C 13 25.072 0.15 . 1 . . . . 115 LEU CD1 . 15281 1 1424 . 1 1 115 115 LEU CD2 C 13 23.070 0.15 . 1 . . . . 115 LEU CD2 . 15281 1 1425 . 1 1 115 115 LEU CG C 13 26.714 0.15 . 1 . . . . 115 LEU CG . 15281 1 1426 . 1 1 115 115 LEU N N 15 119.576 0.15 . 1 . . . . 115 LEU N . 15281 1 1427 . 1 1 116 116 GLU H H 1 8.095 0.02 . 1 . . . . 116 GLU H . 15281 1 1428 . 1 1 116 116 GLU HA H 1 4.145 0.02 . 1 . . . . 116 GLU HA . 15281 1 1429 . 1 1 116 116 GLU HB2 H 1 1.904 0.02 . 2 . . . . 116 GLU HB2 . 15281 1 1430 . 1 1 116 116 GLU HB3 H 1 1.904 0.02 . 2 . . . . 116 GLU HB3 . 15281 1 1431 . 1 1 116 116 GLU HG2 H 1 2.235 0.02 . 2 . . . . 116 GLU HG2 . 15281 1 1432 . 1 1 116 116 GLU HG3 H 1 2.116 0.02 . 2 . . . . 116 GLU HG3 . 15281 1 1433 . 1 1 116 116 GLU C C 13 176.361 0.15 . 1 . . . . 116 GLU C . 15281 1 1434 . 1 1 116 116 GLU CA C 13 56.975 0.15 . 1 . . . . 116 GLU CA . 15281 1 1435 . 1 1 116 116 GLU CB C 13 30.137 0.15 . 1 . . . . 116 GLU CB . 15281 1 1436 . 1 1 116 116 GLU CG C 13 36.209 0.15 . 1 . . . . 116 GLU CG . 15281 1 1437 . 1 1 116 116 GLU N N 15 119.657 0.15 . 1 . . . . 116 GLU N . 15281 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 15281 _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 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details ; Aliphatic C13 NOESY peak list from 3D C13-NOESY in H2O, Bruker 800 This peak list was combined with the aromatic C13 NOESY peak list in H2O for AutoStructure calculations and RPF analysis. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note Q41HE21/Q108HE22-CG/Q108CG-HG2/Q108QG 6.990 33.810 2.433 1028349 W13HA/F50HA-CA/F50CA-HA/F50HA 4.937 33.810 4.931 11886260 E68HA-CA-HA 4.217 33.810 4.214 22587684 D14HA-CA-HA 4.044 33.810 4.042 14924104 R95QB-CB-QB 1.766 33.810 1.766 22359858 R95HG2-CB-QB 1.567 33.810 1.764 2756957 A60HB/T94HG2-R95CB/R95CB-QB/R95QB 1.225 33.810 1.767 1345763 R95HA-CB-QB 4.651 33.810 1.767 1439181 R95QD-CB-QB 3.199 33.810 1.768 1404388 E96H-R95CB-QB 8.536 33.810 1.769 797223 R95H-CB-QB 7.507 33.810 1.763 487069 Q108HB2-CG-QG 2.179 33.810 2.433 3155616 Q41HA-CG-HG2 4.754 33.810 2.439 829012 G52H-Q53CG-QG 10.265 33.810 2.330 380419 D14HB2-CA-HA 2.683 33.810 4.042 989191 D14HB3/K17HE2-CA/D14CA-HA/D14HA 2.489 33.810 4.045 1908634 K17HB3-D14CA-HA 1.365 33.810 4.043 1095214 K17HG3-D14CA-HA 0.227 33.810 4.039 496909 K17H-D14CA-HA 8.327 33.810 4.036 495897 A15H-D14CA-HA 7.596 33.810 4.040 442322 D14H-CA-HA 9.261 33.810 4.042 964363 W13HB3/F50HB3-CA/F50CA-HA/F50HA 2.946 33.810 4.934 1309908 A16HB-W13CA-HA 1.589 33.810 4.935 906320 F50QD-CA-HA 7.302 33.810 4.932 1010378 W13H-CA-HA 8.584 33.810 4.943 407186 H35HB3-CA-HA 3.167 33.810 4.453 516716 H35HB2-CA-HA 3.372 33.810 4.446 667654 H83HA-H35CA-HA 5.308 33.810 4.455 539439 unassigned by AS Q108HE22-CG-QG 6.990 33.810 2.433 1028349 W13HE3-CA-HA 7.128 33.810 4.936 2029978 L36H-H35CA-HA 8.456 33.810 4.448 1710404 H83HD2-H35CA-HA 7.098 33.810 4.447 826073 F50HB2-CA-HA 3.657 33.810 4.921 794038 F50H-CA-HA 7.737 33.810 4.935 387482 E68H-CA-HA 8.892 33.810 4.223 1195313 H35H-CA-HA 9.196 33.810 4.448 452853 Q41HE21-CG-HG3 6.993 33.811 2.211 254043 W13HB2-CA-HA 3.207 33.819 4.935 568973 Q41HG2/Q108QG-CG/Q108CG-HG2/Q108QG 2.428 33.851 2.430 27444060 Y5HB3-CA-HA 2.412 33.866 5.767 610065 Y5HB2-CA-HA 2.822 33.871 5.767 876727 Y5QD-CA-HA 6.844 33.879 5.767 693685 Y5H-CA-HA 9.009 33.880 5.769 488453 Q53HE22-CG-QG 6.652 33.884 2.320 484262 A54H-Q53CG-QG 8.176 33.886 2.320 537120 Y5HA-CA-HA 5.773 33.890 5.768 6591930 K6H-Y5CA-HA 8.863 33.891 5.769 2131621 Q53H-CG-QG 7.600 33.894 2.319 1391870 Q53HA-CG-QG 4.434 33.909 2.320 1829641 Q43HG3/Q53QG-CG/Q53CG-HG3/Q53QG 2.321 33.909 2.320 38752388 L36HD2-Y5CA-HA 0.667 33.912 5.770 464555 F50HA-Q53CG-QG 4.925 33.913 2.318 628280 A60HA-Y5CA-HA 4.740 33.920 5.769 938955 S37HB2-CA-HA 3.964 33.920 5.274 855184 Q41QB-S37CA-HA 2.351 33.921 5.274 364040 P82HD2-S37CA-HA 4.060 33.921 5.275 577076 added 05/21 P82HD3-S37CA-HA 3.704 33.921 5.274 395627 added 05/21 Q53HE21-CG-QG 7.873 33.930 2.320 1456242 Q108HB3-CG-QG 2.052 33.931 2.422 2510356 Q43HB3-CG-HG2 1.970 33.931 2.392 795149 Q43HB3-CG-HG3 1.970 33.931 2.343 636030 Q43HE21-CG-HG3 6.808 33.941 2.312 582867 unassigned by AS S37HA-CA-HA 5.275 33.943 5.272 6554919 Q43HB2-CG-HG3 2.042 33.945 2.317 1275276 A38HB-S37CA-HA 1.786 33.950 5.277 432131 A38H-S37CA-HA 9.658 33.950 5.272 1916894 Q43HE22-CG-HG2 8.077 33.966 2.399 507143 Q43HE21-CG-HG2 6.799 33.972 2.390 641474 Q108HA-CG-QG 4.495 33.978 2.427 968618 Q108HE21-CG-QG 7.179 33.980 2.427 1670356 D102H-Q108CG-QG 8.038 33.987 2.427 685323 S37HB3-CA-HA 3.650 33.992 5.273 562321 F81QD-S37CA-HA 7.538 33.992 5.275 422444 Q108H-CG-QG 8.565 33.996 2.427 1020184 S37H-CA-HA 9.138 34.014 5.274 476271 F50HB2-R51CA-HA 3.701 34.092 4.198 596964 G52H-R51CA-HA 10.265 34.109 4.189 2219319 R51QG-CA-HA 1.542 34.118 4.194 1116202 R51QD-CA-HA 3.203 34.125 4.193 554759 ?-?-? 10.285 34.130 2.330 369946 R51H-CA-HA 7.385 34.148 4.188 579000 R51HB3-CA-HA 1.774 34.230 4.190 950172 R51HB2-CA-HA 2.005 34.230 4.193 1471116 K48HG2-CA-HA 0.885 34.508 3.927 911763 K48HB3-CA-HA 1.111 34.510 3.927 1260505 K48H/A47H-CA/Q43CA-HA/Q43HA 8.084 34.521 3.929 1535157 K48HB2-CA-HA 1.527 34.523 3.929 2386904 A46HB/K48HD2-Q43CA/K48CA-HA/K48HA 1.423 34.526 3.936 1445008 Q43HA/K48HA-CA/K48CA-HA/K48HA 3.933 34.527 3.930 28468882 E40HA-CA-HA 4.230 34.541 4.221 19581056 A46H-Q43CA-HA 8.269 34.557 3.937 412585 E40QB-CA-HA 2.115 34.564 4.230 3582978 E44H-Q43CA-HA 8.605 34.574 3.936 356720 E40H-CA-HA 9.376 34.580 4.234 1138304 L109HD2-Q43CA-HA 0.539 34.587 3.935 1538880 E40QG-CA-HA 2.354 34.600 4.227 1561590 Q43HB3-CA-HA 1.990 34.600 3.933 1266544 Q43HE21-CA-HA 6.802 34.627 3.936 559358 Q43HG3-CA-HA 2.355 34.632 3.932 681024 ?-?-? 4.600 34.644 4.599 20081138 Q43H-CA-HA 9.201 34.644 3.938 710069 Q43HB2-CA-HA 2.058 34.691 3.932 996061 R76QB-CA-HA 1.981 34.766 4.187 3044943 S75HA-R76CA-HA 4.810 34.822 4.186 1441710 E12HA/E44HA/R76HA-CA/E44CA/R76CA-HA/E44HA/R76HA 4.189 34.960 4.186 46108432 E12H/A16H-CA/E12CA-HA/E12HA 7.952 35.070 4.173 1080848 E12HB2/E12HG3-CA/E12CA-HA/E12HA 2.455 35.088 4.173 2849261 W13H-R10CA-HA 8.574 35.164 4.032 530918 W13HB2-R10CA-HA 3.219 35.165 4.032 780572 V57HG2-R10CA-HA 0.751 35.182 4.030 1725969 A15HB-E12CA-HA 1.530 35.187 4.183 2690298 R10HB3-CA-HA 1.920 35.201 4.027 844083 R10HA-CA-HA 4.030 35.206 4.028 9339971 E44QG-CA-HA 2.356 35.210 4.194 1814920 R10HG3-CA-HA 1.655 35.211 4.027 657815 R10HB2-CA-HA 2.083 35.213 4.030 1142165 E12HB3/E44QB-CA/E44CA-HA/E44HA 2.152 35.217 4.191 3123134 W13H/E44H-E12CA/E44CA-HA/E44HA 8.595 35.231 4.189 1116849 R10H-CA-HA 9.086 35.235 4.030 756938 R10HD2-CA-HA 3.359 35.286 4.030 774353 W13HB3-R10CA-HA 2.960 35.290 4.031 526426 V57H-CB-HB 9.216 35.321 1.502 937615 L8HD2-V57CB-HB 0.232 35.338 1.500 961091 V57HB-CB-HB 1.503 35.341 1.501 14960462 V57HG1-CB-HB 0.411 35.343 1.500 1645403 V57HA-CB-HB 4.644 35.343 1.500 760871 V57HG2-CB-HB 0.752 35.350 1.499 1790553 L3HD2-E62CG-HG3 0.618 35.410 2.264 512277 K71HB3-CB-HB3 1.645 35.413 1.611 3251573 K71H-CB-HB3 9.113 35.414 1.611 327000 K71QG/K71HD3-CB/K71CB-HB2/K71HB2 1.264 35.423 1.683 1082722 K71QG/K71HD3-CB/K71CB-HB3/K71HB3 1.263 35.425 1.609 958816 K71HB2-CB-HB2 1.660 35.435 1.687 3387817 K71HA-CB-HB2 4.724 35.448 1.683 594924 T94HG2-E62CG-HG2 1.206 35.450 2.322 377227 K71HA-CB-HB3 4.729 35.458 1.611 530264 E96H-CG-HG2 8.536 35.459 2.180 1104144 E96HG3-CG-HG3 2.025 35.461 2.024 15190676 E96H-CG-HG3 8.538 35.461 2.024 631204 E96HB3-CG-HG3 1.671 35.462 2.022 1434327 K71H-CB-HB2 9.116 35.464 1.685 309769 E96HG2-CG-HG3 2.182 35.466 2.024 6871743 E96HG3-CG-HG2 2.026 35.472 2.178 6241701 E62H-CG-HG3 8.475 35.472 2.267 464181 Y85QE-K71CB-HB2 6.524 35.473 1.694 321659 Y85QE-K71CB-HB3 6.526 35.474 1.598 363108 E96HB2-CG-HG2 1.680 35.491 2.181 1196567 L3HD2-E62CG-HG2 0.615 35.515 2.326 392877 E62QB-CG-HG3 1.918 35.539 2.260 1259592 E62QB-CG-HG2 1.924 35.539 2.326 1028712 E62H-CG-HG2 8.462 35.558 2.324 336316 E96HG2-CG-HG2 2.182 35.592 2.181 14819435 S91H-CA-HA 8.136 35.758 4.271 1294807 S91HB3-CA-HA 3.826 35.770 4.270 2114127 S91HA-CA-HA 4.274 35.778 4.271 13397261 S91HB2-CA-HA 4.081 35.784 4.273 2098127 V57HG2-CA-HA 0.754 35.864 4.629 876116 D98HA-V57CA-HA 4.843 35.871 4.633 1122499 L99H-V57CA-HA 7.864 35.879 4.622 500515 L58H-V57CA-HA 8.858 35.881 4.629 2234540 V57HA-CA-HA 4.632 35.894 4.630 7825262 V57HG1-CA-HA 0.416 35.915 4.629 1031282 V57HB-CA-HA 1.494 35.920 4.630 748551 F33HB2-Y85CA-HA 1.850 35.933 4.505 412851 Y85H-CA-HA 9.057 35.935 4.511 558514 Y85HB3-CA-HA 2.879 35.938 4.510 694679 Y85HA-CA-HA 4.510 35.960 4.507 8494960 F33HA-Y85CA-HA 4.221 35.964 4.508 615292 unassigned by AS V57H-CA-HA 9.215 35.966 4.628 614302 F33HB3-Y85CA-HA 1.450 35.967 4.514 380833 R86H-Y85CA-HA 7.436 35.983 4.508 982632 Y85HB2-CA-HA 3.569 35.992 4.507 987387 K17HG3-CA-HA 0.241 36.003 3.459 801067 Y85QD-CA-HA 7.214 36.004 4.509 603790 K17H/G20H-CA/K17CA-HA/K17HA 8.313 36.011 3.457 1221040 K17HA-CA-HA 3.459 36.012 3.456 12164528 K17HB2-CA-HA 1.375 36.012 3.458 2046897 K17HG2-CA-HA 0.435 36.018 3.456 1435424 V90HG1-K17CA-HA 0.895 36.021 3.456 1006744 V90HG2-K17CA-HA 0.714 36.029 3.457 2284248 Y85QD-CB-HB3 7.211 36.032 2.873 624375 Y85HA-CB-HB3 4.505 36.035 2.877 392104 Y85HB2-CB-HB2 3.569 36.053 3.566 2480486 Y85H-CB-HB3 9.056 36.055 2.873 737844 Y85QD-CB-HB2 7.210 36.062 3.566 890569 Y85HB3-CB-HB2 2.875 36.063 3.566 2198022 Y85HB3-CB-HB3 2.873 36.065 2.874 1995789 Y85HB2-CB-HB3 3.571 36.073 2.873 1935459 Y85H-CB-HB2 9.062 36.106 3.567 507368 Y85HA-CB-HB2 4.512 36.136 3.570 473559 E116QB-CG-HG2 1.915 36.144 2.232 2347226 E116HG3-CG-HG3 2.117 36.147 2.111 23647488 E116HG2-CG-HG2 2.236 36.161 2.233 33989932 E116HA-CG-HG2 4.148 36.165 2.235 769338 E116QB-CG-HG3 1.915 36.175 2.109 3263739 E116HA-CG-HG3 4.146 36.178 2.111 664780 E116HG3-CG-HG2 2.100 36.231 2.233 9087856 E116HG2-CG-HG3 2.240 36.231 2.112 10498737 L8H-I7CA-HA 8.635 36.238 4.701 1692266 unassigned by AS I7HA-CA-HA 4.706 36.252 4.700 4666342 E68HB3-CG-QG 1.974 36.319 2.320 4514218 E68H-CG-QG 8.890 36.349 2.322 1263346 E68HB2-CG-QG 2.154 36.373 2.324 14484796 E40QG/E44QG/E68QG-CG/E44CG/E68CG-QG/E44QG/E68QG 2.332 36.377 2.327 145835504 E68HA/E44HA-CG/E44CG-QG/E44QG 4.220 36.384 2.329 3245007 I7H-CA-HA 8.277 36.407 4.690 329672 E40H-CG-QG 9.376 36.452 2.345 804338 E44H-CG-QG 8.606 36.452 2.356 529858 E40QB/E44QB-CG/E44CG-QG/E44QG 2.143 36.478 2.352 12184669 E40HA-CG-QG 4.224 36.478 2.356 1915943 L58HB3/K6HG3-I7CA/I7CA-HA/I7HA 0.985 36.501 4.715 619770 H35HB3-I34CA-HA 3.134 36.569 3.816 257531 V61H-CB-HB 8.937 36.572 1.648 1050761 V61HB-CB-HB 1.645 36.590 1.644 6272810 I4QG1-V61CB-HB 1.102 36.594 1.647 973060 V61HG1-CB-HB 0.840 36.597 1.647 1743812 V61HG2-CB-HB 0.649 36.600 1.643 1828881 V61HA-CB-HB 4.237 36.611 1.652 297672 D28HB3-I34CA-HA 2.666 36.645 3.812 524765 I34HG13-CA-HA 0.595 36.651 3.816 471252 I34H-CA-HA 8.654 36.669 3.807 236368 I34HA-CA-HA 3.814 36.672 3.812 2808792 D28HB2-I34CA-HA 2.921 36.673 3.813 294737 H35H-I34CA-HA 9.206 36.679 3.813 1309566 V61HG2-CA-HA 0.642 36.684 4.240 1670487 V61HA-CA-HA 4.242 36.691 4.241 7752474 I34HG2-CA-HA 0.885 36.693 3.812 862336 V93HA-V61CA-HA 4.024 36.703 4.241 617222 unassigned by AS V61H/T94H-CA/V61CA-HA/V61HA 8.968 36.713 4.237 1167584 V61HG1-CA-HA 0.834 36.715 4.241 1620000 I34HB-CA-HA 1.865 36.716 3.811 246885 E62H-V61CA-HA 8.484 36.718 4.237 2087070 I34HG12-CA-HA 1.620 36.726 3.813 386900 V61HB-CA-HA 1.625 36.732 4.248 348108 K6HA-CB-HB2 4.809 36.931 1.613 297921 L36HD2-K6CB-HB3 0.673 36.997 1.467 540023 K6HA-CB-HB3 4.807 37.033 1.466 358069 K6HB2-CB-HB3 1.618 37.043 1.463 1129313 K6HG3-CB-HB3 1.009 37.049 1.467 415317 K6HG2-CB-HB3 1.076 37.049 1.466 316520 K6HG3-CB-HB2 1.009 37.049 1.613 376295 K6HG2-CB-HB2 1.078 37.049 1.612 383220 K6HB3/L59HB2-CB/K6CB-HB2/K6HB2 1.458 37.066 1.617 1283024 K6HB3/F33HB3/L59HB2-CB/F33CB/K6CB-HB3/F33HB3/K6HB3 1.458 37.101 1.465 2041180 E73HA-CG-HG2 4.780 37.106 2.119 553261 F33HB2-CB-HB3 1.831 37.123 1.457 1221031 F33QD-CB-HB3 5.980 37.127 1.455 472342 F33HA-CB-HB2 4.221 37.127 1.828 523917 E73HB3-CG-HG3 1.631 37.128 1.944 724846 F33HA-CB-HB3 4.224 37.143 1.459 338419 I34H-F33CB-HB3 8.642 37.143 1.465 310964 E73HA-CG-HG3 4.759 37.146 1.944 750467 E73HG2-CG-HG3 2.113 37.164 1.933 3323584 F33HB3-CB-HB2 1.454 37.171 1.833 1262774 E73HB3-CG-HG2 1.625 37.175 2.114 962249 F33HB2-CB-HB2 1.849 37.192 1.834 1685386 F33QD-CB-HB2 5.979 37.212 1.830 591972 E23HG3/E73HG3-CG/E73CG-HG2/E73HG2 1.931 37.223 2.112 5561996 E23HG2/E73HG2-CG/E73CG-HG2/E73HG2 2.110 37.231 2.111 12897206 E23HA-CG-HG2 3.879 37.262 2.112 600010 E23H-CG-HG2 9.047 37.267 2.110 769812 E23HG2-CG-HG3 2.108 37.282 1.902 3769895 V106HA-CA-HA 4.080 37.289 4.077 4915961 W72HA-P82CA-HA 4.711 37.290 3.636 938550 E23HG3-CG-HG3 1.904 37.291 1.898 8155323 E23H-CG-HG3 9.055 37.294 1.905 352992 P82HA-CA-HA 3.638 37.295 3.634 4191513 P82HB2-CA-HA 1.017 37.297 3.635 770488 V106H-CA-HA 8.888 37.300 4.079 389414 P107HD2-V106CA-HA 4.199 37.302 4.074 1853450 P82HB3-CA-HA -0.387 37.302 3.634 784449 V106HG1/V106HG2-CA/V106CA-HA/V106HA 0.878 37.306 4.075 2223982 E23HA-CG-HG3 3.880 37.310 1.897 764664 P107HD3-V106CA-HA 3.177 37.317 4.076 1192625 H83H-P82CA-HA 8.836 37.319 3.635 2026535 ?-?-? 1.533 37.325 4.073 475170 L70HD1-P82CA-HA 0.375 37.328 3.636 387975 V106HB-CA-HA 2.312 37.389 4.075 408078 N55HD22-CB-HB3 7.034 37.580 2.968 268505 N55HD22-CB-HB2 7.037 37.600 3.019 253805 N55HB3-CB-HB3 2.994 37.619 2.966 13162727 N55HD21-CB-HB3 7.778 37.622 2.971 722795 N55HA-CB-HB3 4.597 37.626 2.962 1202913 N55HA-CB-HB2 4.597 37.630 3.018 1117593 N55HB2-CB-HB2 2.996 37.633 3.020 12665787 N55H-CB-HB3 8.898 37.644 2.969 447206 N55H-CB-HB2 8.912 37.678 3.022 384264 N55HD21-CB-HB2 7.779 37.682 3.024 714478 E12H-CG-HG2 7.948 37.867 2.486 572050 E12HB3-CG-HG3 2.176 37.893 2.425 1049834 E12H-CG-HG3 7.952 37.893 2.428 690996 E12HB2/E12HG3-CG/E12CG-HG3/E12HG3 2.451 37.904 2.424 7266054 E12HB2/E12HG2/E12HG3-CG/E12CG/E12CG-HG2/E12HG2/E12HG2 2.459 37.918 2.485 6891736 E12HB3-CG-HG2 2.179 37.934 2.483 1058262 E12HA-CG-HG2 4.176 37.948 2.484 778861 E12HA-CG-HG3 4.167 37.969 2.414 1006747 unassigned by AS L3H-T2CA-HA 9.067 38.056 3.830 1931958 T2HG2-CA-HA 1.373 38.067 3.829 1358381 L88H-I34CD1-HD1 8.097 38.108 0.814 1253344 I34HD1-CD1-HD1 0.818 38.109 0.815 52161428 P87HA-I34CD1-HD1 4.293 38.117 0.813 1780756 L88HB3-I34CD1-HD1 1.282 38.119 0.813 929290 I34HB-CD1-HD1 1.884 38.121 0.812 1604526 E64HA-CG-HG3 4.145 38.121 2.383 1040246 E23HA-I34CD1-HD1 3.863 38.124 0.815 779947 E92HB2-CG-QG 2.528 38.125 2.247 1031740 L88HB2/L84HB2-I34CD1/I34CD1-HD1/I34HD1 2.051 38.126 0.814 1009328 F22QD-I34CD1-HD1 7.286 38.126 0.813 1112357 I34HG12-CD1-HD1 1.630 38.133 0.814 2166320 L89QB-E92CG-QG 1.708 38.133 2.254 1119246 I34HG13-CD1-HD1 0.581 38.140 0.815 2118442 G24HA3-I34CD1-HD1 3.092 38.143 0.814 515557 E92QG-CG-QG 2.252 38.144 2.252 7262018 E92HA-CG-QG 4.224 38.144 2.254 1113290 V61HG1-E92CG-QG 0.869 38.148 2.257 842433 E92HB3-CG-QG 2.101 38.149 2.248 1484276 E64HB3-CG-HG3 1.977 38.151 2.371 1078975 E92H-CG-QG 7.604 38.164 2.250 617097 E64HG2-CG-HG3 2.746 38.179 2.373 3190050 E64HB3-CG-HG2 1.977 38.181 2.745 1148020 E64HB2/E64HG3-CG/E64CG-HG2/E64HG2 2.374 38.183 2.746 4237866 E64HA-CG-HG2 4.137 38.189 2.746 597230 ?-?-? 4.815 38.190 3.828 2098466 water? E64HG2-CG-HG2 2.746 38.198 2.744 5704170 T2HA-CA-HA 3.830 38.235 3.828 10684332 T2HB/S91HA-CA/S91CB-HA/S91HB3 4.274 38.409 3.824 1867408 ?-?-? 4.815 38.443 4.077 961425 water? S91HB3-CB-HB2 3.826 38.443 4.075 4042305 S91HB2-CB-HB3 4.080 38.446 3.825 3724101 S91H-CB-HB3 8.131 38.453 3.824 906073 S91HA-CB-HB2 4.276 38.458 4.075 1858106 S91HB2-CB-HB2 4.078 38.469 4.076 5766790 S91H-CB-HB2 8.132 38.475 4.076 582375 I7H-CD1-HD1 8.276 38.601 0.617 813572 I7HB-CD1-HD1 0.912 38.607 0.612 1844039 F50QD-I7CD1-HD1 7.284 38.623 0.616 950101 I7HD1-CD1-HD1 0.615 38.626 0.616 57942120 P107HA-CA-HA 4.739 38.627 4.730 1844689 I7HG2-CD1-HD1 -0.166 38.630 0.616 2475280 I7HG12/A46HB-CD1/I7CD1-HD1/I7HD1 1.404 38.635 0.615 4286663 A46HA-I7CD1-HD1 4.266 38.647 0.617 781302 I7H-CB-HB 8.276 38.869 0.917 641010 I7HD1-CB-HB 0.616 38.883 0.918 1016775 F50QD-I7CB-HB 7.286 38.898 0.915 396229 I7HB-CB-HB 0.921 38.905 0.920 4592812 I7HG2-CB-HB -0.167 38.933 0.919 1163444 I7HG13-CB-HB 0.490 38.941 0.915 506674 I7HG12-CB-HB 1.375 38.944 0.919 575402 I7HA-CB-HB 4.719 38.986 0.919 298008 V61HA/T94HA-V93CA/V93CA-HA/V93HA 4.246 39.157 4.035 710085 I34HG12-CB-HB 1.615 39.174 1.886 330965 V93HA-CA-HA 4.039 39.181 4.037 6358871 I34HG13-CB-HB 0.587 39.184 1.872 244811 I34H-CB-HB 8.650 39.189 1.861 440366 V93HB-CA-HA 2.446 39.194 4.041 513926 V93HG2-CA-HA 0.974 39.200 4.039 1527812 V93H-CA-HA 7.497 39.207 4.043 749226 V61HG2-V93CA-HA 0.648 39.208 4.038 1112677 T94H-V93CA-HA 8.995 39.210 4.034 2013554 I34HG2-CB-HB 0.869 39.221 1.873 1083908 V93HG1-CA-HA 0.826 39.227 4.039 1432117 L84HB2-I34CB-HB 2.024 39.267 1.869 599522 A15H-D14CB-HB2 7.601 39.390 2.685 726805 A15H-D14CB-HB3 7.601 39.393 2.473 443781 D14HA-CB-HB3 4.049 39.397 2.479 1120055 D14HB3-CB-HB2 2.484 39.402 2.682 3664860 D14HB3-CB-HB3 2.479 39.405 2.478 6401276 D14H-CB-HB3 9.263 39.410 2.474 704474 D14HB2-CB-HB3 2.682 39.412 2.478 4366137 A11HA-D14CB-HB2 4.252 39.415 2.680 537944 D14HA-CB-HB2 4.043 39.417 2.680 607067 A11HA-D14CB-HB3 4.240 39.418 2.472 331720 D14HB2-CB-HB2 2.691 39.424 2.691 27891792 P87HB3-CA-HA 1.491 39.431 4.295 854903 D14H-CB-HB2 9.260 39.438 2.681 1105266 L88H-P87CA-HA 8.097 39.445 4.296 2323596 ?-?-? 3.885 39.448 4.297 738416 P87HB2-CA-HA 1.746 39.454 4.296 1215735 P87HG3-CA-HA 1.907 39.455 4.298 693527 I34HD1-P87CA-HA 0.822 39.460 4.296 1429714 P87HA-CA-HA 4.299 39.476 4.296 7053923 E64HB3-CA-HA 1.976 39.488 4.143 1514513 E64HA-CA-HA 4.143 39.489 4.141 12417486 L56HD2-F50CB-HB2 0.661 39.489 3.669 328457 E64HB2/E64HG3-CA/E64CA-HA/E64HA 2.370 39.494 4.142 2193777 E64HG2-CA-HA 2.744 39.505 4.140 794504 I7HD1-F50CB-HB3 0.621 39.520 2.921 294682 E64H-CA-HA 9.576 39.530 4.143 705247 A63HB-E64CA-HA 1.482 39.543 4.143 430053 L56HD1-F50CB-HB2 0.860 39.549 3.673 788469 F50HA-CB-HB2 4.930 39.560 3.669 621281 F50QD-CB-HB3 7.283 39.571 2.928 778247 F50HB3-CB-HB2 2.928 39.572 3.671 1776544 F50HB2-CB-HB3 3.672 39.574 2.925 1595001 F50HB2-CB-HB2 3.675 39.575 3.673 1853165 F50HB3-CB-HB3 2.930 39.581 2.927 2502294 F50HA-CB-HB3 4.932 39.583 2.927 394054 F50H-CB-HB3 7.745 39.587 2.922 319386 L56HD1-F50CB-HB3 0.860 39.588 2.919 434224 F50QD-CB-HB2 7.283 39.592 3.669 845120 F50H-CB-HB2 7.733 39.603 3.675 283063 D111H-CB-HB3 8.671 39.748 1.947 728872 D111HB2-CB-HB3 2.337 39.767 1.944 4875024 D111HB3-CB-HB3 1.947 39.769 1.945 6262432 D111HA-CB-HB3 4.315 39.773 1.945 705262 D111HB3-CB-HB2 1.947 39.776 2.338 5320620 D111HB2-CB-HB2 2.336 39.777 2.338 8056542 D111HA-CB-HB2 4.315 39.780 2.338 1142434 D111H-CB-HB2 8.673 39.827 2.335 542958 L70HD1-I4CD1-HD1 0.377 39.851 0.550 1675077 I4QG1-CD1-HD1 1.090 39.856 0.551 3032294 L36HD1-I4CD1-HD1 0.725 39.859 0.551 2678235 I4HD1-CD1-HD1 0.552 39.860 0.552 37697436 I4HG2-CD1-HD1 0.904 39.860 0.551 4971402 I4HB-CD1-HD1 1.660 39.863 0.552 1869894 A63HB-I4CD1-HD1 1.487 39.867 0.552 1556847 A63HA-I4CD1-HD1 4.003 39.871 0.550 630635 I4H-CD1-HD1 8.887 39.872 0.551 403295 Y5H-I4CD1-HD1 9.087 39.876 0.551 368872 D31QB-CB-QB 1.854 40.024 1.850 4983029 D31H-CB-QB 7.680 40.046 1.847 913427 D31HA-CB-QB 4.415 40.071 1.853 697853 R95H-T94CA-HA 7.511 40.298 4.252 621698 T94HB-CA-HA 3.972 40.345 4.254 1542244 T94HG2-CA-HA 1.203 40.368 4.251 1680274 T94HA-CA-HA 4.256 40.384 4.253 19748898 T94H-CA-HA 8.994 40.474 4.250 878531 P65HB2-CA-HA 2.402 40.893 4.435 2632168 P65HB3/P65HG3-CA/P65CA-HA/P65HA 1.879 40.894 4.435 2059549 P65HA-CA-HA 4.437 40.896 4.435 17710172 D102H-CB-HB2 8.037 41.016 3.344 401655 D102H-CB-HB3 8.038 41.016 2.608 545055 added 05/17 A103H-D102CB-HB3 8.377 41.020 2.607 590869 added 05/17 D102HB3-CB-HB2 2.607 41.037 3.341 2407751 S75HB2-CB-HB2 4.270 41.042 4.263 13032395 D102HB2-CB-HB3 3.344 41.050 2.604 2380937 D102HA-CB-HB2 4.618 41.052 3.340 1132356 A103H-D102CB-HB2 8.383 41.058 3.340 983966 D102HB2-CB-HB2 3.343 41.067 3.341 2615308 S9H-CB-HB2 8.549 41.080 4.502 420407 R10H-S9CB-HB3 9.093 41.092 4.152 405372 S75H-CB-HB3 8.750 41.095 4.125 685672 R10H-S9CB-HB2 9.087 41.111 4.498 659042 I4QG1-CB-HB 1.099 41.111 1.675 653639 I4HG2-CB-HB 0.912 41.111 1.672 1553057 ?-?-? 3.805 41.121 2.904 248895 M1HE-CE-HE 2.061 41.122 2.060 52777024 Y5H-I4CB-HB 9.061 41.127 1.675 733466 S9HB3-CB-HB2 4.152 41.130 4.499 4007372 S9HB2-CB-HB2 4.501 41.136 4.498 5656722 S9HA-CB-HB2 4.769 41.137 4.500 1904454 A11H-S9CB-HB2 8.745 41.137 4.497 536425 S9HB2-CB-HB3 4.501 41.138 4.147 4071412 S9H-CB-HB3 8.550 41.144 4.146 771212 S75HB2-CB-HB3 4.273 41.153 4.118 5146898 S75HB3-CB-HB3 4.123 41.155 4.121 12821620 K6HE3-I34CG2-HG2 3.097 41.160 0.899 941953 H35H-I34CG2-HG2 9.207 41.160 0.897 418808 A30H-V27CA-HA 7.455 41.160 3.590 480820 I34HA-CG2-HG2 3.817 41.161 0.898 879159 S75HB3-CB-HB2 4.117 41.162 4.266 4995320 ?-?-? 4.815 41.166 0.897 1143757 S75HA-CB-HB3 4.808 41.167 4.126 3039755 A30HB-V27CA-HA 1.365 41.167 3.591 1939121 I34HB-CG2-HG2 1.874 41.170 0.897 1525030 D102HA-CB-HB3 4.605 41.171 2.607 1477232 I4HA-CB-HB 4.758 41.174 1.677 679145 F22QD-I34CG2-HG2 7.290 41.175 0.897 969056 I34HG12/L36HG-CG2/I34CG2-HG2/I34HG2 1.616 41.180 0.897 1694441 S75HA-CB-HB2 4.828 41.182 4.269 3169868 I34HG2-CG2-HG2 0.898 41.183 0.898 39337100 V27HG2-CA-HA 0.668 41.185 3.591 1997567 V27HB-CA-HA 1.591 41.195 3.592 1173588 V27HG1-CA-HA 0.427 41.196 3.593 1407979 V27H-CA-HA 7.930 41.199 3.594 999386 I34HA-D28CB-HB3 3.820 41.201 2.672 488843 D28HA-CB-HB2 4.525 41.219 2.916 197660 D28HA-CB-HB3 4.550 41.233 2.667 447589 G24HA2-D28CB-HB2 4.209 41.236 2.917 324654 L66HD2-CB-HB2 0.769 41.244 2.023 732436 L66HD1-CB-HB3 0.906 41.246 1.336 1030650 L29HA-CB-HB2 3.764 41.251 1.595 516025 L66HB2/L66HG-CB/L66CB-HB3/L66HB3 2.034 41.260 1.337 2153354 L66HB3-CB-HB2 1.338 41.263 2.025 1651072 D28HB3-CB-HB2 2.667 41.265 2.912 914546 ?-?-? 3.552 41.267 3.540 30890950 S9HA-CB-HB3 4.774 41.273 4.148 2165105 L66HA-CB-HB2 4.008 41.274 2.028 520933 ?-?-? 3.624 41.276 3.627 34952668 A26H-S25CB-QB 9.096 41.276 4.319 1371951 S25QB-CB-QB 4.321 41.277 4.318 9831756 L66HD1-CB-HB2 0.906 41.279 2.026 981649 G24HA2-D28CB-HB3 4.222 41.279 2.666 250180 S25H-CB-QB 9.883 41.280 4.321 705483 S25HA-CB-QB 4.848 41.283 4.317 2584939 L66HD2-CB-HB3 0.763 41.287 1.336 1153119 L29H-D28CB-HB2 8.316 41.290 2.913 387415 S25H-D28CB-HB3 9.884 41.294 2.665 281044 D28H-V27CA-HA 6.928 41.297 3.584 302409 L29H-D28CB-HB3 8.328 41.303 2.669 344901 S25H-D28CB-HB2 9.888 41.303 2.912 519925 L66H-CB-HB2 7.416 41.307 2.025 501795 D28H-CB-HB2 6.923 41.309 2.915 262302 L29H-CB-HB2 8.313 41.314 1.594 698864 L29HA-CB-HB3 3.769 41.321 1.277 717967 D28HB2-CB-HB3 2.913 41.327 2.669 1461033 A26HA-L29CB-HB2 3.971 41.329 1.604 436613 L29H-CB-HB3 8.309 41.336 1.279 461469 L29HD2/L29HD1-CB/L29CB-HB3/L29HB3 0.600 41.343 1.282 1538361 L29HB3-CB-HB3 1.291 41.344 1.282 4020554 L89HD1/L89HD2-CB/L89CB-QB/L89QB 0.875 41.349 1.693 2508410 D28H-CB-HB3 6.929 41.349 2.656 244882 L88HB3-F22CB-QB 1.296 41.353 3.025 314634 I4HB/L89QB/L89HG-CB/L89CB/L89CB-HB/L89QB/L89QB 1.697 41.360 1.693 8016906 L66HA-CB-HB3 4.009 41.360 1.349 1023983 L66H-CB-HB3 7.436 41.360 1.345 678267 L29HB2-CB-HB3 1.595 41.372 1.282 2966446 K17HG2-CE-HE2 0.425 41.386 2.516 310026 E92QG-L89CB-QB 2.254 41.390 1.700 796592 L89H-CB-QB 9.225 41.395 1.695 594398 F22HA-CB-QB 5.183 41.404 3.022 823590 W13HZ3-F22CB-QB 6.474 41.405 3.015 368636 L88HB2-F22CB-QB 2.092 41.407 3.025 533500 A16HB-F22CB-QB 1.589 41.414 3.025 1063936 V90H-L89CB-QB 7.639 41.416 1.706 507789 S91H-L89CB-QB 8.137 41.417 1.699 479143 W13HE1-K17CE2-HE2 10.402 41.419 2.515 270769 added 05/21 K17HE3-CE-HE2 2.329 41.420 2.513 5446290 L29HD1-CB-HB2 0.613 41.422 1.592 1645941 L89HA-CB-QB 4.561 41.422 1.701 635363 K17HG3-CE-HE3 0.242 41.422 2.331 593001 D14HA-K17CE-HE3 4.041 41.424 2.327 351788 A26HA-L29CB-HB3 3.997 41.426 1.290 446993 K17HE3-CE-HE3 2.328 41.439 2.327 27354584 K17HD2-CE-HE3 1.223 41.439 2.325 1332462 F22QD-CB-QB 7.292 41.443 3.025 1283106 K17HB3-CE-HE2 1.362 41.455 2.515 1094041 D14HA-K17CE-HE2 4.043 41.455 2.515 554873 F22H-CB-QB 9.824 41.455 3.023 888793 K17HE2-CE-HE2 2.515 41.457 2.514 28406326 L29HB3-CB-HB2 1.307 41.457 1.594 3259528 ?-?-? 0.895 41.458 1.664 1477675 K17HE2-CE-HE3 2.512 41.458 2.325 5248781 K17HD3-CE-HE2 1.209 41.462 2.515 1248044 K17HB2-CE-HE3 1.378 41.473 2.331 795725 K17HG2-CE-HE3 0.428 41.484 2.320 332840 K17HG3-CE-HE2 0.247 41.499 2.517 340186 L88HD2-F22CB-QB 0.636 41.506 3.024 371998 W13HE1-K17CE2-HE3 10.396 41.542 2.328 275439 added 05/21 L84HD2-D69CB-HB2 0.771 41.549 2.609 584087 L84HD2-D69CB-HB3 0.780 41.556 2.569 536836 R86HG3-D69CB-HB3 1.233 41.557 2.555 675171 D69HA-CB-HB3 4.588 41.557 2.567 877024 D69HA-CB-HB2 4.584 41.557 2.618 1070424 D69H-CB-HB3 7.616 41.582 2.567 828218 D69H-CB-HB2 7.617 41.590 2.615 916943 D98HA-CB-HB3 4.842 41.625 2.455 607117 D98H-CB-HB2 8.398 41.636 2.725 632150 D98HB3-CB-HB2 2.456 41.661 2.726 4205918 F22QD-K6CE-HE3 7.287 41.663 3.092 746463 D98H-CB-HB3 8.400 41.668 2.457 1052638 K6HD2-CE-HE3 2.423 41.681 3.092 262692 I34HG2-K6CE-HE3 0.909 41.682 3.090 684339 D98HB2-CB-HB3 2.721 41.688 2.458 4236635 K6HE3-CE-HE2 3.093 41.691 3.250 1882734 K6HD2-CE-HE2 2.427 41.700 3.245 332013 unassigned by AS K6HG2-CE-HE2 1.063 41.706 3.255 494516 K6HE2-CE-HE3 3.256 41.711 3.090 1892821 I34HG2-K6CE-HE2 0.924 41.719 3.254 374003 K6HE3-CE-HE3 3.090 41.721 3.092 2762308 K6HD3-CE-HE3 1.739 41.722 3.094 475716 K6HG3-CE-HE3 1.012 41.724 3.092 499886 D98HA-CB-HB2 4.835 41.746 2.711 1053315 A114H-L113CB-HB2 7.633 41.755 1.585 451858 added 05/16 A114H-L113CB-HB3 7.645 41.755 1.358 901025 added 05/16 L113H-CB-HB2 7.518 41.756 1.584 799572 F22QD-K6CE-HE2 7.287 41.779 3.252 419635 V27H-A26CB-HB 7.928 41.789 1.435 1780621 A26H-CB-HB 9.099 41.793 1.435 2831616 A26HA-CB-HB 3.971 41.811 1.435 4965020 A15HA/E12HA-CB/A15CB-HB/A15HB 4.168 41.823 1.540 7199480 A15H-CB-HB 7.596 41.825 1.541 4799509 A15HB-CB-HB 1.540 41.826 1.540 109943256 A16H-A15CB-HB 7.945 41.828 1.540 2158890 K6HD3-CE-HE2 1.761 41.838 3.255 362929 D104H-CB-HB2 8.036 41.839 2.828 768328 D14HB3-A15CB-HB 2.497 41.842 1.538 584243 L109HA-CB-HB2 4.333 41.847 1.561 760971 L113H-CB-HB3 7.516 41.849 1.361 2100129 D14HB2-A15CB-HB 2.661 41.851 1.537 563958 D104H-CB-HB3 8.035 41.852 2.669 1246604 D104HB3-CB-HB2 2.669 41.853 2.827 6061314 D104HB2-CB-HB3 2.839 41.854 2.668 6147506 V106HG2-D104CB-HB2 0.899 41.859 2.830 676006 L113HD2/L113HD2-CB/L109CB-HB2/L109HB2 0.111 41.867 1.583 580361 ?-?-? 2.389 41.877 2.658 468638 D104HB2-CB-HB2 2.831 41.889 2.830 11619627 D104HA-CB-HB2 4.809 41.894 2.829 1668998 K48HG2/V106HG2-CE/D104CB-HE2/D104HB3 0.894 41.897 2.664 1162204 L109HA-CB-HB3 4.334 41.899 1.487 1035071 V27HG2-A26CB-HB 0.651 41.904 1.433 1115619 K48HG2-CE-HE3 0.877 41.940 2.562 681260 L113HD2-CB-HB3 0.116 41.943 1.363 584419 Q19H-A18CB-HB 7.447 41.946 1.468 1645301 L115HD1-CB-HB2 0.879 41.950 1.635 1497353 K48HG3-CE-HE3 0.493 41.954 2.564 412820 A18H-CB-HB 7.296 41.966 1.468 4469570 L115HA-CB-HB2 4.155 41.966 1.625 943517 D104HA-CB-HB3 4.810 41.967 2.671 2076430 A26HB-CB-HB 1.453 41.968 1.443 126590752 K48HG3-CE-HE2 0.500 41.968 2.666 477334 A18HA/L115HA-CB/L115CB-HB/L115HB3 4.122 41.970 1.470 7214034 L113HD1-CB-HB3 0.683 41.978 1.355 1409793 L115HB3-CB-HB2 1.500 41.987 1.624 7401693 ?-?-? 3.662 41.993 3.657 16749130 ?-?-? 3.851 42.016 3.850 19016432 L113HB3-CB-HB2 1.364 42.016 1.592 2549302 V27HB-A30CB-HB 1.550 42.016 1.359 4239570 L113HA-CB-HB3 4.160 42.016 1.363 1348009 L113HA-CB-HB2 4.151 42.016 1.588 742698 L115HB2/L115HG-CB/L115CB-HB2/L115HB2 1.627 42.017 1.629 16166092 A11HB/A18HB/L109HB3/L109HG/L115HB3/L113HG-CB/A18CB/L109CB/L109CB/L115CB/L109CB-HB/A18HB/L109HB3/L109HB3/L115HB3/L109HB3 1.477 42.036 1.475 173873360 Q19HG2/H112HB3-A18CB/L109CB-HB/L109HB3 2.674 42.038 1.475 746920 A30HA-CB-HB 3.999 42.048 1.359 4860935 V27HA-A30CB-HB 3.595 42.049 1.360 1875917 A30H-CB-HB 7.461 42.054 1.359 3775545 K48HE3/K71HE3-CE/K71CE-HE3/K71HE3 2.567 42.066 2.563 79957544 K48HE2/K71HE2/D104HB3-CE/K71CE/D104CB-HE2/K71HE2/D104HB3 2.666 42.074 2.668 85885512 L115HD1-CB-HB3 0.858 42.092 1.477 1576553 L56HB2-I7CG2-HG2 1.851 42.096 -0.170 473755 L99HD1-I7CG2-HG2 0.527 42.096 -0.169 2585016 added 05/15 I7HA-CG2-HG2 4.702 42.098 -0.166 1640559 L8H-I7CG2-HG2 8.625 42.104 -0.166 1026446 P82HD2-F81CB-HB3 4.064 42.104 2.687 220784 I7HB/L56HD1-CG2/I7CG2-HG2/I7HG2 0.905 42.107 -0.167 3197142 I7HG2-CG2-HG2 -0.167 42.109 -0.167 38837628 I7HD1-CG2-HG2 0.622 42.109 -0.167 3424295 F50QD-I7CG2-HG2 7.284 42.112 -0.168 999305 P82HD3-F81CB-HB2 3.710 42.112 3.189 260932 L8HA/L58HA-I7CG2/I7CG2-HG2/I7HG2 4.746 42.112 -0.167 1374393 I7HG12/A46HB-CG2/I7CG2-HG2/I7HG2 1.385 42.127 -0.167 1107014 K48HE2/K71HE2-CE/K71CE-HE3/K71HE3 2.693 42.127 2.563 18027752 K48HE3/K71HE3-CE/K71CE-HE2/K71HE2 2.553 42.127 2.667 19115186 K48HD2-CE-HE2 1.381 42.127 2.668 922750 K48HD2-CE-HE3 1.384 42.127 2.565 1122310 K48HD3-CE-HE3 1.319 42.127 2.565 1688471 K48HD3-CE-HE2 1.319 42.127 2.666 1927606 F81QD-CB-HB2 7.549 42.151 3.188 575978 Q43H-A42CB-HB 9.195 42.161 1.145 822498 K71QG/K71HD3-CE/K71CE-HE2/K71HE2 1.261 42.161 2.668 2179740 P82HD2-F81CB-HB2 4.059 42.164 3.185 281027 A42HA/S37HB2-CB/A42CB-HB/A42HB 3.944 42.169 1.147 3177990 L109HD2-A42CB-HB 0.545 42.176 1.146 2452126 A42HB-CB-HB 1.148 42.178 1.147 52931768 E12H-A11CB-HB 7.953 42.181 1.490 1660731 F81HB2-CB-HB3 3.191 42.181 2.692 1705752 G39HA3/S37HB3-A42CB/A42CB-HB/A42HB 3.681 42.183 1.147 765416 F81HA-CB-HB2 5.150 42.183 3.190 378230 A42H-CB-HB 7.524 42.185 1.147 2705553 L113HD1-A42CB-HB 0.678 42.187 1.146 1724373 I7HG13-CG2-HG2 0.518 42.188 -0.167 2596186 K71HD2-CE-HE2 1.467 42.191 2.667 1122939 ?-?-? -0.752 42.192 1.393 224134 F81HB3-CB-HB2 2.697 42.194 3.190 1931577 L113HD2-A42CB-HB 0.113 42.197 1.147 1420148 F81H-CB-HB3 8.728 42.201 2.697 374672 A11HA-CB-HB 4.244 42.204 1.490 5648458 Y5QD-A42CB-HB 6.843 42.205 1.146 491337 Y5HB3-A42CB-HB 2.400 42.206 1.145 701004 A11H-CB-HB 8.750 42.210 1.491 3998432 F81HA-CB-HB3 5.153 42.210 2.687 323871 F81QD-CB-HB3 7.545 42.210 2.697 508208 K71HD2-CE-HE3 1.482 42.217 2.553 952655 K71QG/K71HD3-CE/K71CE-HE3/K71HE3 1.251 42.223 2.559 2158216 L59HB3/L59HG/V93HG1-CB/L59CB/L59CB-HB3/L59HB3/L59HB3 0.836 42.326 0.835 5671106 L59HD1-CB-HB3 -0.325 42.345 0.849 703680 L59HD2-CB-HB3 -0.738 42.348 0.847 460728 L59HB2/K6HB3-CB/L59CB-HB3/L59HB3 1.427 42.356 0.847 1623784 L59HA-CB-HB3 4.716 42.365 0.848 447891 L59HD1-CB-HB2 -0.322 42.373 1.433 630978 A30HB/A46HB/A114HB/I7HG12-CB/A46CB/A114CB/A46CB-HB/A46HB/A114HB/A46HB 1.371 42.381 1.369 157703568 L59HD2-CB-HB2 -0.752 42.415 1.433 447824 D31H/A114H-A30CB/A114CB-HB/A114HB 7.656 42.429 1.371 3239192 V61HG2-L59CB-HB2 0.639 42.442 1.418 3087615 added 05/21 V61HG1-L59CB-HB2 0.848 42.451 1.420 3055418 assigned 05/21 V61HG2-L59CB-HB3 0.656 42.461 0.838 351953 added 05/21 ?-?-? 4.742 42.462 1.422 535151 A103HB-CB-HB 1.419 42.488 1.417 172951408 A103HA-CB-HB 4.092 42.499 1.418 5982990 A103H-CB-HB 8.363 42.515 1.418 3358329 ?-?-? 0.514 42.528 1.417 2734662 A114HA-CB-HB 4.232 42.542 1.376 4634863 W13HD1-R10CD-HD3 7.026 42.557 3.261 592724 R10HG3-CD-HD3 1.654 42.558 3.260 1516398 R10HA-CD-HD3 4.032 42.563 3.259 704703 Q43HE21-A46CB-HB 6.802 42.572 1.419 602986 unassigned by AS R10HE-CD-HD3 7.334 42.575 3.262 1158573 V57HG2-R10CD-HD3 0.749 42.575 3.257 516190 R10HG2-CD-HD2 1.833 42.581 3.358 957871 R10HD2-CD-HD2 3.351 42.591 3.361 12322913 ?-?-? 7.292 42.596 1.422 566976 F50 QD ..... weak! R10HE-CD-HD2 7.328 42.598 3.359 871264 R10HG3-CD-HD2 1.652 42.599 3.360 1226884 R10HA-CD-HD2 4.030 42.600 3.362 946360 A46HA-CB-HB 4.260 42.602 1.415 2896250 D104H-A103CB-HB 8.064 42.603 1.417 2951294 A42H-S37CB-HB3 7.524 42.615 3.635 295290 W13HD1-R10CD-HD2 7.021 42.621 3.358 517617 R10HD3-CD-HD2 3.262 42.629 3.363 8079958 R10HD2-CD-HD3 3.393 42.629 3.261 6253339 R10HD3-CD-HD3 3.266 42.629 3.266 36401412 R10HG2-CD-HD3 1.832 42.629 3.261 1704077 I7HD1-A46CB-HB 0.583 42.630 1.417 4761531 unassigned by AS A63HB-I4CG2-HG2 1.461 42.636 0.924 2031617 V57HG2-R10CD-HD2 0.751 42.654 3.360 387803 ?-?-? 1.700 42.660 3.783 282538 A47H-A46CB-HB 8.101 42.662 1.373 539903 A38H-S37CB-HB2 9.663 42.662 3.953 270448 ?-?-? 3.178 42.668 1.417 861838 P82HG3-I4CG2-HG2 1.366 42.672 0.921 1697513 S37H-CB-HB3 9.126 42.672 3.633 601600 A38HB-I4CG2-HG2 1.785 42.672 0.921 1156495 S37HA-CB-HB3 5.270 42.674 3.631 494347 I4H-CG2-HG2 8.901 42.679 0.918 426944 W72HH2-I4CG2-HG2 6.964 42.680 0.925 1030141 A38HA-I4CG2-HG2 4.972 42.682 0.923 1221202 I4HA-CG2-HG2 4.748 42.684 0.925 1407502 I4HG2-CG2-HG2 0.926 42.685 0.924 40263368 ?-?-? 4.814 42.686 3.959 647731 water? W72HZ2-I4CG2-HG2 7.132 42.690 0.925 612561 I4HB-CG2-HG2 1.672 42.697 0.923 1912490 I4HD1-CG2-HG2 0.551 42.700 0.922 2570287 S37HA-CB-HB2 5.275 42.700 3.956 739211 Q41QB-S37CB-HB2 2.351 42.703 3.957 827248 V93HB-V90CA-HA 2.453 42.709 3.787 350751 A42H-S37CB-HB2 7.520 42.712 3.960 326892 E44HA-A47CB-HB 4.211 42.715 1.511 1951031 S37HB3-CB-HB2 3.638 42.717 3.958 3236954 S37HB2/A42HA-CB/S37CB-HB2/S37HB2 3.958 42.719 3.958 5419485 Y5H-I4CG2-HG2 9.055 42.720 0.921 401980 ?-?-? 4.807 42.721 3.634 720952 water? S37HB2/A42HA-CB/S37CB-HB3/S37HB3 3.959 42.721 3.634 3673674 S37H-CB-HB2 9.111 42.727 3.954 378384 Q41QB-S37CB-HB3 2.384 42.733 3.636 523141 A42HB-S37CB-HB2 1.143 42.736 3.960 485146 L89HA-V90CA-HA 4.571 42.741 3.777 409540 A42HB-S37CB-HB3 1.152 42.764 3.637 622682 V90HB-CA-HA 1.947 42.775 3.782 976068 V90HA-CA-HA 3.784 42.803 3.781 14003577 W13HH2-V90CA-HA 6.922 42.805 3.782 1218047 V90HG1-CA-HA 0.907 42.808 3.783 2389094 V90HG2-CA-HA 0.713 42.811 3.781 2248704 A47HB-CB-HB 1.520 42.817 1.518 80079344 V90H-CA-HA 7.660 42.817 3.782 1001844 L58HD1-Y5CB-HB3 0.745 42.841 2.410 564435 Y5HA-CB-HB2 5.766 42.866 2.821 565094 A47H/K48H-CB/A47CB-HB/A47HB 8.074 42.873 1.520 4577649 V106HG1-A47CB-HB 0.838 42.874 1.521 3259292 corrected (was K48 HG2) A47HA-CB-HB 3.947 42.875 1.520 3964650 V106HG2-A47CB/A47CB-HB 0.890 42.875 1.520 3314940 added 05/22 Y5HB3-CB-HB2 2.410 42.883 2.816 1811145 T45HG2-CA-HA 1.504 42.887 4.115 1582012 Y5HB3-CB-HB3 2.408 42.889 2.409 1764276 Y5HB2-CB-HB3 2.820 42.893 2.408 1838821 Y5QD-CB-HB2 6.843 42.895 2.817 793167 Y5QD-CB-HB3 6.848 42.900 2.412 683152 K48HB3-T45CA-HA 1.108 42.901 4.117 428537 K48H-T45CA-HA 8.078 42.903 4.115 343589 L58HD1-Y5CB-HB2 0.746 42.907 2.820 875551 T45HB-CA-HA 4.498 42.907 4.113 565135 T45HA-CA-HA 4.118 42.909 4.115 10468262 Y5H-CB-HB2 9.050 42.911 2.815 348278 Y5HA-CB-HB3 5.769 42.914 2.405 348603 W49HD1-T45CA-HA 7.376 42.919 4.114 948717 K6H-Y5CB-HB2 8.860 42.921 2.821 362316 L70HD1-CB-HB3 0.376 42.930 0.974 453273 Y5H-CB-HB3 9.059 42.931 2.401 521215 T45H/A46H-CA/T45CA-HA/T45HA 8.288 42.949 4.114 892069 L70HB2-CB-HB2 2.105 42.967 2.107 2182015 L70HB3/L70HG-CB/L70CB-HB2/L70HB2 0.965 42.969 2.106 2171706 L70HB2-CB-HB3 2.105 42.972 0.979 1465810 L70H-CB-HB2 7.427 42.981 2.108 667213 L70HD1-CB-HB2 0.377 42.998 2.102 438589 L70HA-CB-HB3 4.847 43.020 0.971 270359 L70H-CB-HB3 7.427 43.021 0.981 397299 L70HA-CB-HB2 4.841 43.029 2.115 241717 L70HD2-CB-HB2 0.844 43.034 2.106 1067013 L70HD2-CB-HB3 0.831 43.034 0.976 945651 W13HZ3-A16CB-HB 6.473 43.041 1.586 703289 F22HA-A16CB-HB 5.189 43.057 1.586 1386145 A16HB-CB-HB 1.585 43.064 1.585 57795404 A16HA-CB-HB 4.335 43.071 1.585 3438083 F22QD-A16CB-HB 7.292 43.074 1.585 1805975 K17H-A16CB-HB 8.321 43.078 1.585 1588426 W13HE3-A16CB-HB 7.134 43.085 1.586 1579487 A16H-CB-HB 7.943 43.085 1.585 3088798 F22QB-A16CB-HB 3.026 43.087 1.585 2100087 W13HA-A16CB-HB 4.936 43.096 1.584 1500040 L3HB3-CB-HB2 0.789 43.116 1.760 2624216 L3HA-CB-HB3 4.860 43.118 0.753 394185 L3HB3-CB-HB3 0.758 43.147 0.750 1767171 L3HB2-CB-HB3 1.761 43.183 0.750 1703759 L3HA-CB-HB2 4.859 43.211 1.759 632093 R76QB-CD-QD 1.987 43.230 3.262 1836671 R76QD-CD-QD 3.262 43.231 3.262 154937040 R76QG-CD-QD 1.766 43.237 3.261 4147396 L3HG-CB-HB3 1.635 43.241 0.755 363249 R95HE-CD-QD 7.404 43.262 3.199 695233 R76HA-CD-QD 4.195 43.263 3.265 499463 A60HB-R95CD-QD 1.227 43.278 3.197 693418 R95HA-CD-QD 4.639 43.281 3.195 493337 ?-?-? 1.561 43.289 3.255 1995759 L101H-D100CB-HB2 8.524 43.307 2.708 925544 D100HA-CB-HB3 4.944 43.309 2.577 1068030 A38HA-CB-HB 4.972 43.311 1.784 2894546 W72HZ3/W72HH2-A38CB/A38CB-HB/A38HB 6.962 43.312 1.783 2236449 D100H-CB-HB3 9.212 43.313 2.577 1009949 R51HB3/R95QB-CD/R95CD-QD/R95QD 1.766 43.318 3.199 3726606 L3HB2/A38HB-CB/A38CB-HB2/A38HB 1.784 43.322 1.783 63593792 D100HA-CB-HB2 4.943 43.325 2.709 1385379 D100HB2-CB-HB2 2.709 43.328 2.709 11538177 D100HB3-CB-HB3 2.577 43.328 2.576 11289480 R51QD/R95QD-CD/R95CD-QD/R95QD 3.209 43.329 3.200 87669032 D100HB3-CB-HB2 2.579 43.331 2.709 7421174 A38H-CB-HB 9.661 43.333 1.782 1855242 D100HB2-CB-HB3 2.712 43.334 2.578 7513310 G39H-A38CB-HB 10.161 43.335 1.783 1387420 L101H-D100CB-HB3 8.522 43.336 2.579 746469 L3HD1-CB-HB2 0.873 43.342 1.777 1042746 E40H-A38CB-HB 9.374 43.347 1.782 655260 D100H-CB-HB2 9.214 43.348 2.708 587563 ?-?-? 0.882 43.354 3.198 1213033 R51QG/R95HG3-CD/R95CD-QD/R95QD 1.535 43.364 3.199 4872372 Q41H-A38CB-HB 7.510 43.369 1.784 593301 R76HE-CD-QD 7.246 43.397 3.256 619275 L89HD2-R21CD-HD3 0.851 43.399 2.895 423948 R51HB2-CD-QD 2.037 43.408 3.201 697870 P87HB2-R21CD-HD3 1.744 43.410 2.898 564299 R51HE-CD-QD 7.233 43.416 3.203 766654 ?-?-? 1.536 43.429 3.254 2350032 R21HD3-CD-HD2 2.897 43.434 3.056 7440384 R21HD3-CD-HD3 2.900 43.436 2.898 20514098 R21HD2-CD-HD3 3.061 43.445 2.898 8068274 R21HD2/R80QD-CD/R80CD-HD2/R80QD 3.070 43.446 3.069 98426184 R21HB2-CD-HD2 1.974 43.449 3.055 1404224 R21HB3/R80HG3-CD/R80CD-HD2/R80QD 1.382 43.450 3.069 3051311 R21HB2-CD-HD3 1.974 43.453 2.898 1149157 R21HG2-CD-HD3 1.483 43.453 2.897 1532495 E64H-A63CB-HB 9.568 43.453 1.475 899220 T2HB-A63CB-HB 4.287 43.454 1.471 1097460 R21HG3-CD-HD3 1.225 43.457 2.900 1110915 A63HB-CB-HB 1.474 43.457 1.472 58329628 R21HE-CD-HD3 7.604 43.462 2.899 648709 I4HD1-A63CB-HB 0.555 43.462 1.473 1421629 A63H-CB-HB 9.175 43.463 1.472 2054228 A63HA-CB-HB 3.998 43.464 1.472 2867323 L66HD1-A63CB-HB 0.876 43.465 1.472 3336403 R86HB3-CD-HD3 1.726 43.477 3.052 2158309 R21HG2-CD-HD2 1.489 43.477 3.050 2541758 R21HE-CD-HD2 7.603 43.477 3.054 1266133 R51HA-CD-QD 4.195 43.486 3.197 358253 R21HG3/R86HG3-CD/R86CD-HD2/R86HD3 1.226 43.488 3.051 1321534 W72HZ2-A63CB-HB 7.128 43.489 1.471 602297 R80HE-CD-QD 7.597 43.506 3.070 914223 L89HD2-R21CD-HD2 0.848 43.524 3.055 640115 L8HA-CB-HB2 4.766 43.527 1.745 1081216 L8HD1-CB-HB2 0.144 43.547 1.745 816054 R86HG3-CD-HD2 1.231 43.563 3.105 475050 R86HG2-CD-HD2 1.420 43.563 3.105 785144 R86HE-CD-HD3 7.582 43.571 3.039 1613222 R80HG2-CD-QD 1.709 43.571 3.075 2761698 R86HG2-CD-HD3 1.420 43.571 3.032 1230126 R86HB2-CD-HD3 2.280 43.573 3.040 728734 L8HB3-CB-HB2 1.319 43.573 1.745 2538201 L8HD1-CB-HB3 0.150 43.576 1.319 804999 L8HB2-CB-HB3 1.743 43.580 1.318 2557199 R86HB2-CD-HD2 2.280 43.601 3.116 541560 R86HE-CD-HD2 7.581 43.611 3.109 1093053 L8HA-CB-HB3 4.758 43.621 1.323 948837 S9H-L8CB-HB3 8.567 43.634 1.318 483456 S9H-L8CB-HB2 8.553 43.639 1.744 646215 S75H-A74CB-HB 8.760 43.947 1.377 743093 A74HA-CB-HB 4.746 43.970 1.373 2620459 W13HZ2-L59CD2-HD2 7.340 43.972 -0.737 331845 A74HB/R80HG3-CB/A74CB-HB/A74HB 1.376 43.989 1.373 93583496 A74H-CB-HB 8.952 43.996 1.374 1554455 L59HA-CD2-HD2 4.717 44.011 -0.741 1870457 L8HD2-L59CD2-HD2 0.229 44.013 -0.741 1112434 V57HG1-L59CD2-HD2 0.407 44.018 -0.743 1955227 L59HD2-CD2-HD2 -0.742 44.020 -0.741 47785064 L59HB3/L59HG/V93HG1-CD2/L59CD2/L59CD2-HD2/L59HD2/L59HD2 0.836 44.022 -0.742 5058852 Q41HE22-A79CB-HB 6.293 44.022 1.299 272670 V93HG2-L59CD2-HD2 0.966 44.026 -0.738 920654 L59HD1-CD2-HD2 -0.322 44.028 -0.743 3043964 E96HA-L59CD2-HD2 5.320 44.031 -0.741 845875 E96HB3-L59CD2-HD2 1.669 44.032 -0.742 1616734 L59HB2-CD2-HD2 1.438 44.037 -0.741 737043 A97H-L59CD2-HD2 8.315 44.039 -0.742 640364 W13HE1-L59CD2-HD2 10.403 44.055 -0.748 430987 added 05/21 L99HA-CB-HB2 4.764 44.061 1.685 516868 L59H-CD2-HD2 9.261 44.064 -0.742 407634 D100H-L99CB-HB3 9.212 44.083 1.034 364749 F81QE-A79CB-HB 7.378 44.092 1.295 1129031 R80H-A79CB-HB 8.369 44.108 1.293 1314895 L99HB2-CB-HB2 1.693 44.109 1.692 1581005 A79H-CB-HB 7.878 44.111 1.293 1869750 A79HA-CB-HB 4.357 44.118 1.294 3156713 A79HB-CB-HB 1.296 44.119 1.294 88454000 L99H-CB-HB2 7.851 44.133 1.683 424501 L99HD1-CB-HB3 0.561 44.136 1.039 936816 L99HB3-CB-HB3 1.036 44.141 1.034 2162142 L99HB3-CB-HB2 1.031 44.148 1.687 1602932 L99HB2-CB-HB3 1.691 44.148 1.034 1646776 L99HD1-CB-HB2 0.533 44.160 1.689 837664 L99HA-CB-HB3 4.767 44.175 1.035 579795 L99H-CB-HB3 7.861 44.180 1.029 350871 Q41HE21-A79CB-HB 7.002 44.192 1.294 415626 L99HA-CB-HB2 4.762 44.211 1.687 445342 ?-?-? 9.196 44.211 1.672 281286 D102H-L101CB-HB3 8.038 44.291 1.149 323593 added 05/16 L101HA-CB-HB2 4.641 44.311 1.806 411284 L101HB3-CB-HB3 1.145 44.312 1.143 2640386 L101HB2-CB-HB3 1.809 44.319 1.146 2372733 L101HD1-CB-HB2 0.706 44.321 1.807 1377106 L101H-CB-HB3 8.523 44.322 1.141 337552 L101H-CB-HB2 8.523 44.323 1.803 708906 L101HB3-CB-HB2 1.145 44.327 1.807 2398721 L101HD1/L101HD2-CB/L101CB-HB3/L101HB3 0.694 44.328 1.145 1242639 L101HG-CB-HB3 1.658 44.331 1.144 518241 L101HG-CB-HB2 1.651 44.332 1.806 852047 H35HD2-V27CG1-HG1 7.457 44.339 0.424 512985 D28H-V27CG1-HG1 6.928 44.347 0.429 446756 A47HA-V106CG1-HG1 3.956 44.350 0.847 1847990 assigned 05/22 V106HB-CG1-HG1 2.304 44.352 0.847 2921587 L101HA-CB-HB3 4.640 44.353 1.148 437193 A47HB-V106CG1-HG1 1.522 44.355 0.846 2787444 V106HA-CG1-HG1 4.077 44.356 0.848 1507140 Q43HE21-V106CG1-HG1 6.804 44.358 0.846 1057037 V106H-CG1-HG1 8.877 44.359 0.845 406334 Q43HE22-V106CG1-HG1 8.082 44.360 0.847 1707800 P107HD3-V106CG1-HG1 3.180 44.364 0.847 1194653 V106HG1-CG1-HG1 0.850 44.366 0.848 60666292 V27HA-CG1-HG1 3.595 44.375 0.429 1433938 Q108HE21-V106CG1-HG1 7.180 44.378 0.847 543462 P82HB2-L36CB-HB2 1.032 44.384 1.644 430284 added 05/24 Q108HE22-V106CG1-HG1 6.983 44.391 0.847 472372 V27H-CG1-HG1 7.928 44.393 0.428 891460 L36HB2/L36HG-CB/L36CB-HB2/L36HB2 1.639 44.400 1.646 1208720 V27HG2-CG1-HG1 0.677 44.408 0.427 3602698 V27HB-CG1-HG1 1.587 44.410 0.427 2338211 V27HG1-CG1-HG1 0.428 44.421 0.428 110045168 L36HA-CB-HB3 5.192 44.431 1.529 312689 D102H-L101CB-HB2 8.039 44.435 1.815 245895 added 05/16 N55HD21-A54CB-HB 7.763 44.437 1.430 357469 A54HB-CB-HB 1.426 44.440 1.425 109118424 N55HD22-A54CB-HB 7.029 44.440 1.427 436366 A54HA-CB-HB 4.346 44.444 1.426 4284874 ?-?-? 0.708 44.445 1.424 1160888 A54H-CB-HB 8.187 44.452 1.426 3802806 L101HB2-CB-HB2 1.808 44.453 1.807 2339862 N55H-A54CB-HB 8.899 44.459 1.426 2219132 N55HB2-A54CB-HB 2.999 44.468 1.426 516539 L36HB2/L36HG-CB/L36CB-HB3/L36HB3 1.629 44.475 1.544 1097582 S37H-L36CB-HB2 9.140 44.478 1.638 405212 S37H-L36CB-HB3 9.141 44.497 1.552 291900 L36HD2/L36HD1-CB/L36CB-HB2/L36HB2 0.689 44.515 1.644 825574 L36HA-CB-HB2 5.187 44.517 1.635 350193 L36HD1/L36HD2-CB/L36CB-HB3/L36HB3 0.706 44.528 1.548 679282 L36HB3-CB-HB2 1.555 44.558 1.639 1006492 T2HG2-CG2-HG2 1.378 44.805 1.375 70831000 T45HA-CB-HB 4.133 44.825 4.493 476297 A42HA-T45CB-HB 3.942 44.834 4.497 981996 T45HG2-CB-HB 1.495 44.835 4.497 1739419 T2HB-CG2-HG2 4.297 44.848 1.377 1813392 T45H/A46H-CB/T45CB-HB/T45HB 8.287 44.853 4.495 2116211 T45HB-CB-HB 4.496 44.854 4.496 5119708 T2HA-CG2-HG2 3.832 44.870 1.374 1177532 L3H-T2CG2-HG2 9.065 44.870 1.375 842771 ?-?-? 0.925 44.921 1.369 745465 D28HB3-G24CA-HA3 2.669 44.948 3.117 329287 S25H-G24CA-HA2 9.890 44.959 4.221 614255 G24HA3-CA-HA3 3.114 44.971 3.112 2001010 ?-?-? 4.669 44.976 4.208 466180 S25H-G24CA-HA3 9.887 44.984 3.111 782265 G24HA3-CA-HA2 3.111 44.994 4.207 1758652 G24HA2-CA-HA3 4.211 44.996 3.111 1915504 I34HG13-G24CA-HA2 0.590 44.999 4.208 581859 D28HB2-G24CA-HA3 2.919 44.999 3.110 443859 F33H-G32CA-HA3 7.244 45.000 3.585 330428 D28HB2-G24CA-HA2 2.905 45.002 4.210 337825 D28HB3-G24CA-HA2 2.666 45.015 4.209 331300 I34HG13-G24CA-HA3 0.585 45.016 3.109 504777 G32H-CA-HA2 7.913 45.025 4.082 827649 G32HA3-CA-HA2 3.594 45.027 4.084 3496676 ?-?-? 4.671 45.029 3.118 544547 G32HA2-CA-HA3 4.087 45.034 3.589 3659116 G32HA2-CA-HA2 4.089 45.037 4.082 3888786 G32H-CA-HA3 7.913 45.048 3.587 1084079 K17HA-V90CG1-HG1 3.458 45.059 0.894 1087447 W13HZ2-V90CG1-HG1 7.325 45.064 0.893 549058 V61HA/P107HD2-CG2/L101CD2-HG2/L101HD2 4.238 45.065 0.648 2344478 V90HA-CG1-HG1 3.785 45.071 0.893 2018022 W13HH2-V90CG1-HG1 6.926 45.071 0.893 1006721 V93HA-V61CG2-HG2 4.050 45.074 0.646 1618980 T94H-V61CG2-HG2 9.001 45.074 0.644 777780 added 05/16 V90HG1-CG1-HG1 0.893 45.077 0.893 89248336 Q53H-L101CD2-HD2 7.591 45.078 0.658 724806 corrected 05/17!! F33H-G32CA-HA2 7.245 45.079 4.084 303369 V61H-CG2-HG2 8.945 45.083 0.645 1530958 K17HG2-V90CG1-HG1 0.436 45.084 0.891 1056788 V90HB-CG1-HG1 1.948 45.092 0.892 3409892 V61HB/L101HG-CG2/L101CD2-HG2/L101HD2 1.650 45.093 0.648 5579834 V90H-CG1-HG1 7.665 45.108 0.893 1016110 V90HG2-CG1-HG1 0.716 45.110 0.892 5596281 P107HG2-L101CD2-HD2 1.899 45.117 0.653 1622642 G52H-L101CD2-HD2 10.259 45.122 0.646 394241 added 05/15 V57HG1-CG1-HG1 0.410 45.133 0.410 95223768 R10HD2-V57CG2-HG2 3.343 45.138 0.751 468642 W13HB2-V57CG2-HG2 3.210 45.143 0.750 831960 L59HD2-V57CG2-HG2 -0.741 45.149 0.753 549029 V61HG2/L101HD2-CG2/L101CD2-HG2/L101HD2 0.650 45.150 0.650 135935264 W13HB3-V57CG2-HG2 2.960 45.151 0.753 544530 P107HA/A60HA-L101CD2/V61CG2-HD2/V61HG2 4.722 45.153 0.654 2873013 L101HA-CD2-HD2 4.637 45.153 0.655 2515566 G32HA3-CA-HA3 3.604 45.156 3.599 4572840 V57H/L59H-CG1/V57CG1-HG1/V57HG1 9.231 45.163 0.409 685428 A97H-V57CG1-HG1 8.289 45.163 0.411 930399 A79H-G78CA-HA2 7.881 45.170 4.382 513733 V57HA-CG1-HG1 4.644 45.172 0.411 1370058 L101H-CD2-HD2 8.537 45.174 0.652 1248054 W13HD1-V57CG2-HG2 7.023 45.178 0.752 1152740 L58H-V57CG1-HG1 8.858 45.186 0.409 1261764 L59HD2-V57CG1-HG1 -0.739 45.187 0.410 2552340 R10HE-V57CG2-HG2 7.328 45.191 0.750 501184 E96HB3-V57CG1-HG1 1.659 45.191 0.409 1572366 V57HA-CG2-HG2 4.640 45.192 0.751 1723658 W13HD1-V57CG1-HG1 7.026 45.194 0.411 714012 V57HB-CG1-HG1 1.506 45.195 0.409 2226920 V57HG1-CG2-HG2 0.409 45.198 0.749 3999561 G78HA3-CA-HA2 3.795 45.198 4.386 5358514 G78H-CA-HA2 8.050 45.198 4.389 683497 G78HA2-CA-HA3 4.387 45.201 3.789 5546384 R10HG3-V57CG2-HG2 1.668 45.210 0.751 1084209 G78HA2-CA-HA2 4.389 45.212 4.385 7733927 V61HG2-T94CB-HB 0.628 45.221 3.961 556399 V57HB-CG2-HG2 1.505 45.222 0.750 2599325 A63HA-V61CG1-HG1 4.019 45.223 0.836 676383 T94H-V61CG1-HG1 9.001 45.223 0.830 334615 added V57H-CG2-HG2 9.218 45.233 0.749 1051102 L56HA-CB-HB2 4.691 45.235 1.831 362877 G78H-CA-HA3 8.046 45.251 3.790 765351 V61HA-CG1-HG1 4.246 45.254 0.833 1636036 L56HG-CB-HB2 1.542 45.255 1.845 480869 T94HG2-CB-HB 1.205 45.257 3.961 2584621 L56HG-CB-HB3 1.551 45.260 0.972 321151 L84HA-CB-HB3 5.161 45.261 1.008 379737 V61HG1-T94CB-HB 0.829 45.261 3.962 409864 T94HA/V61HA-CB/T94CB-HB/T94HB 4.252 45.265 3.961 2103698 T94HB-CB-HB 3.960 45.265 3.960 24748386 L56HA-CB-HB3 4.672 45.265 0.961 424780 V61H-CG1-HG1 8.948 45.266 0.830 577425 L56HB2-CB-HB2 1.840 45.268 1.842 844511 L84H/Y85H-CB/L84CB-HB3/L84HB3 9.072 45.269 1.015 337201 L56HB2-CB-HB3 1.844 45.271 0.963 1525593 L84HG-CB-HB2 1.901 45.278 2.030 586392 L56HB3-CB-HB2 0.965 45.282 1.840 1410224 L56HD2-CB-HB2 0.658 45.282 1.843 471103 L99HD1-L56CB-HB2 0.516 45.282 1.831 382557 V61HB-CG1-HG1 1.651 45.285 0.833 2487788 L84HB2-CB-HB3 2.024 45.288 1.009 1249147 R95H-T94CB-HB 7.516 45.293 3.961 1004787 V61HG2-CG1-HG1 0.654 45.294 0.832 5919406 V61HG1-CG1-HG1 0.837 45.301 0.835 66229388 E62H-V61CG1-HG1 8.482 45.303 0.834 874870 L84HD1-CB-HB2 0.844 45.305 2.032 1037633 V57HG2-CG2-HG2 0.751 45.308 0.751 111895584 L84HB3-CB-HB2 1.008 45.308 2.029 1218328 L84HB2-CB-HB2 2.034 45.310 2.033 1014245 G78HA3-CA-HA3 3.790 45.312 3.788 7987802 E92HB3-V61CG1-HG1 2.056 45.323 0.833 1006047 ?-?-? 5.157 45.341 2.024 238504 L84H/Y85H-CB/L84CB-HB2/L84HB2 9.057 45.349 2.027 380467 F22QD-L88CB-HB2 7.286 45.389 2.092 327638 Q53H-G52CA-HA2 7.599 45.391 4.197 373207 L84HG-CB-HB3 1.886 45.395 1.014 652652 F22QB-L88CB-HB3 3.009 45.407 1.282 333176 G20H-CA-HA2 8.283 45.419 4.461 1246587 G52HA3-CA-HA3 3.744 45.432 3.741 5139215 G52H-CA-HA2 10.261 45.438 4.175 1073701 L88HD1-CB-HB2 0.865 45.444 2.082 900365 G52HA2-CA-HA3 4.178 45.444 3.737 4759916 L56HD2-CB-HB3 0.672 45.447 0.954 1360507 L88HG-CB-HB3 1.704 45.451 1.288 501197 L56HD2-G52CA-HA2 0.701 45.453 4.176 594338 G52HA2-CA-HA2 4.177 45.454 4.171 6396928 L88HA-CB-HB3 4.284 45.457 1.294 758353 G52HA3-CA-HA2 3.741 45.457 4.172 4556432 L88HG-CB-HB2 1.681 45.460 2.080 542181 G52H-CA-HA3 10.264 45.463 3.736 1247567 F22QB-L88CB-HB2 3.032 45.470 2.085 582831 Q53H-G52CA-HA3 7.592 45.472 3.743 274395 L113H-CD2-HD2 7.518 45.474 0.113 663016 added 05/22 L88HD1-CB-HB3 0.867 45.483 1.288 1400186 L88HB2-CB-HB2 2.083 45.487 2.091 1489753 G20HA2-CA-HA2 4.457 45.489 4.455 6042870 L88HD2-CB-HB2 0.642 45.492 2.087 875137 ?-?-? 0.706 45.498 3.736 777029 Y5QE-L113CD2-HD2 6.576 45.503 0.116 648585 L88HB2-CB-HB3 2.089 45.505 1.285 1577562 L88HB3-CB-HB2 1.285 45.506 2.086 1604288 L113HG/L109HB3-CD2/L113CD2-HD2/L113HD2 1.488 45.508 0.114 2760598 G20HA3-CA-HA2 3.638 45.512 4.454 4811178 L113HD1-CD2-HD2 0.694 45.514 0.113 4245691 L113HD2-CD2-HD2 0.112 45.516 0.114 70312968 G39HA3-L113CD2-HD2 3.730 45.517 0.116 676683 L88HA-CB-HB2 4.290 45.517 2.085 408499 L113HA-CD2-HD2 4.145 45.518 0.113 2800406 L88H-CB-HB2 8.102 45.518 2.088 623496 G20HA2-CA-HA3 4.457 45.520 3.635 4479884 L88HD2-CB-HB3 0.641 45.523 1.283 974382 Y5QD-L113CD2-HD2 6.845 45.531 0.115 379836 corrected (was H112 HD2) A42HB-L113CD2-HD2 1.152 45.535 0.113 1716657 L88H-CB-HB3 8.103 45.544 1.286 500093 T2HA-CB-HB 3.806 45.551 4.289 694795 T2HG2-CB-HB 1.383 45.551 4.290 1792962 G20H-CA-HA3 8.269 45.553 3.640 1549567 G20HA3/G105HA3-CA/G105CA-HA3/G105HA3 3.646 45.564 3.642 6886051 V90HG2-G20CA-HA2 0.706 45.578 4.454 644299 D104HA-G105CA-HA2 4.812 45.587 4.286 2116146 T2HB/G105HA2-CB/G105CA-HB/G105HA2 4.293 45.613 4.290 11532442 L101HD1-G105CA-HA3 0.711 45.613 3.653 1453414 G105HA2-CA-HA3 4.294 45.695 3.663 3388958 G105HA3-CA-HA2 3.668 45.704 4.291 3683558 L101HD1-G105CA-HA2 0.706 45.732 4.287 642718 G105H-CA-HA2 8.208 45.732 4.295 877766 Q53HB3-L56CD2-HD2 2.214 45.755 0.661 1134652 I7HG2-L56CD2-HD2 -0.163 45.760 0.663 1260424 G105H-CA-HA3 8.223 45.764 3.659 1309736 L3HD1-A60CB-HB 0.836 45.782 1.230 2314060 Y5QE-A60CB-HB 6.577 45.783 1.232 1448065 R95QB/R95QB-A60CB/T94CG2-HB/T94HG2 1.763 45.786 1.227 2223808 F50QD-L56CD2-HD2 7.278 45.789 0.662 1424275 A60HA-CB-HB 4.749 45.790 1.231 3081828 A60H-CB-HB 8.337 45.797 1.232 1661906 Y5QD-A60CB-HB 6.845 45.798 1.234 597013 V61H-A60CB-HB 8.952 45.799 1.228 1148205 L66HA-CD2-HD2 4.020 45.799 0.752 3135103 V27HG2/L56HD2-CG2/L56CD2-HG2/L56HD2 0.666 45.801 0.665 177428432 R95H-A60CB-HB 7.517 45.816 1.225 1074025 V57H-L56CD2-HD2 9.211 45.820 0.667 709278 V27HB/L56HG-CG2/L56CD2-HG2/L56HD2 1.571 45.822 0.665 4382902 V27H-CG2-HG2 7.929 45.831 0.667 1855571 V27HA-CG2-HG2 3.599 45.847 0.668 2353491 L66H-CD2-HD2 7.416 45.863 0.752 679111 L58HD2-A60CB-HB 0.622 45.867 1.222 2146809 L66HB2/L66HG-CD2/L66CD2-HD2/L66HD2 2.046 45.870 0.753 3740636 L66HB3-CD2-HD2 1.335 45.881 0.751 1468930 T94HG2-CG2-HG2 1.215 45.920 1.210 128565528 L66HD1-CD2-HD2 0.900 45.934 0.751 6759539 T94HA-CG2-HG2 4.254 45.972 1.206 1894509 T94HB-CG2-HG2 3.966 45.980 1.206 2375864 G67HA2-CA-HA2 4.005 45.996 4.012 4110204 G67HA2-CA-HA3 4.017 46.012 3.898 4179730 H112HE1-A97CB-HB 7.822 46.016 0.855 623591 misassigned G67HA3-CA-HA2 3.915 46.034 4.011 3883021 E68H-G67CA-HA2 8.890 46.036 4.012 1380412 D98H-A97CB-HB 8.377 46.038 0.852 1503083 E68H-G67CA-HA3 8.891 46.043 3.897 1313581 G67H-CA-HA2 7.736 46.047 4.012 1201848 G67H-CA-HA3 7.736 46.063 3.899 1548629 A97H-CB-HB 8.300 46.069 0.851 1619107 I7HD1-T45CG2-HG2 0.620 46.150 1.496 1203185 T45HA-CG2-HG2 4.120 46.175 1.493 1528884 W49HA-T45CG2-HG2 4.813 46.176 1.493 1333413 T45HB-CG2-HG2 4.501 46.176 1.494 1955644 T45HG2-CG2-HG2 1.494 46.177 1.494 58307576 W49HD1-T45CG2-HG2 7.362 46.179 1.491 1700775 A42HA/S37HB2-T45CG2/T45CG2-HG2/T45HG2 3.944 46.183 1.493 464081 T45H/A46H-CG2/T45CG2-HG2/T45HG2 8.283 46.190 1.494 919058 A97HA-CB-HB 4.546 46.212 0.852 4929875 F50QD-T45CG2-HG2 7.300 46.221 1.496 1740733 L29HB2-CD2-HD2 1.596 46.283 0.562 1120695 ?-?-? 1.986 46.296 0.562 716607 L29HD2-CD2-HD2 0.565 46.303 0.563 118529856 L29HA-CD2-HD2 3.763 46.305 0.563 3697820 L58H-CB-HB2 8.865 46.305 1.573 466020 L29HG-CD2-HD2 1.377 46.318 0.562 3084908 L58HD2-CB-HB2 0.587 46.328 1.575 1181006 L58HG-CB-HB2 1.327 46.330 1.572 515792 L58HB2-CB-HB3 1.580 46.336 0.987 1553768 L58HB3-CB-HB2 0.992 46.340 1.575 1369752 ?-?-? 1.801 46.342 0.563 760053 L29H-CD2-HD2 8.317 46.350 0.561 606212 A97HB-L58CB-HB2 0.868 46.362 1.576 528692 L58HD2-CB-HB3 0.603 46.371 0.993 1981289 L58HA-CB-HB2 4.747 46.371 1.572 297210 L89HD1/L89HD2/V93HG1/A97HB-CD2/L89CD2/V93CG1/A97CB-HD2/L89HD2/V93HG1/A97HB 0.848 46.381 0.845 168368048 G20HA3-V90CG2-HG2 3.632 46.389 0.713 1140485 L58H-CB-HB3 8.867 46.400 0.988 370823 K17HG2-V90CG2-HG2 0.437 46.401 0.711 1067274 V90HG2-CG2-HG2 0.713 46.408 0.713 71524896 V90HG1-CG2-HG2 0.890 46.413 0.714 6935554 L58HA-CB-HB3 4.745 46.414 0.987 558980 A16HB-V90CG2-HG2 1.585 46.416 0.713 882330 V90H-CG2-HG2 7.666 46.423 0.714 2316548 W13HH2-V90CG2-HG2 6.919 46.425 0.713 712057 V106HA-CG2-HG2 4.079 46.425 0.903 1790934 A47HB-V106CG2-HG2 1.527 46.426 0.902 2555776 P107HD3-V106CG2-HG2 3.210 46.426 0.905 870775 A47HA-V106CG2-HG2 3.962 46.426 0.903 984194 added 05/22 V106HG2-CG2-HG2 0.900 46.427 0.902 82171712 W13HZ3-V90CG2-HG2 6.476 46.430 0.715 620560 G20H-V90CG2-HG2 8.296 46.432 0.714 927994 V106HB-CG2-HG2 2.300 46.434 0.903 3449752 V106H-CG2-HG2 8.888 46.435 0.903 1840744 K17HA-V90CG2-HG2 3.460 46.437 0.714 3004092 D104HB3-V106CG2-HG2 2.672 46.437 0.903 1027739 V90HB-CG2-HG2 1.948 46.439 0.714 3225314 T94H-V93CG1-HG1 8.989 46.439 0.826 914133 V90HA-CG2-HG2 3.787 46.442 0.713 2265855 R21HA-V90CG2-HG2 5.117 46.442 0.714 834326 L59HD2-V93CG1-HG1 -0.740 46.442 0.825 2049827 D104HB2-V106CG2-HG2 2.826 46.443 0.903 750679 V93HB-CG1-HG1 2.452 46.443 0.825 2737289 D104H-V106CG2-HG2 8.047 46.450 0.903 393485 added 05/22 V93H/R95H-CG1/V93CG1-HG1/V93HG1 7.511 46.455 0.825 2018296 V93HA-CG1-HG1 4.043 46.468 0.825 1375097 L89H-CD2-HD2 9.241 46.469 0.848 703924 V90H-L89CD2-HD2 7.663 46.488 0.845 888363 R21HB2-L89CD2-HD2 1.978 46.496 0.844 1946709 W13HH2-V93CG1-HG1 6.921 46.499 0.826 396193 L89QB/L89HG/E96HB2-CD2/L89CD2/V93CG1-HD2/L89HD2/V93HG1 1.710 46.504 0.845 5913259 L88HA/T94HA-L89CD2/V93CG1-HD2/V93HG1 4.259 46.536 0.830 615469 S91HA-V93CG2-HG2 4.252 46.602 0.974 414941 V61HG2-V93CG2-HG2 0.641 46.627 0.973 4561248 T94H-V93CG2-HG2 8.988 46.650 0.976 430151 V93H-CG2-HG2 7.491 46.651 0.973 1875101 W13HH2-V93CG2-HG2 6.921 46.658 0.973 1432286 V93HA-CG2-HG2 4.044 46.663 0.973 1713231 V93HG2-CG2-HG2 0.973 46.665 0.973 57483836 V93HB-CG2-HG2 2.452 46.665 0.973 2909344 L59HD2-V93CG2-HG2 -0.741 46.673 0.974 808722 V90HA-V93CG2-HG2 3.784 46.675 0.975 944720 L59HD1-V93CG2-HG2 -0.321 46.689 0.972 1527405 W13HZ3-V93CG2-HG2 6.474 46.695 0.979 430965 L115HB2/L115HG-CD2/L115CD2-HD2/L115HD2 1.640 47.004 0.808 3801438 L115HD2-CD2-HD2 0.808 47.009 0.808 204972624 L115HA-CD2-HD2 4.149 47.018 0.806 3028692 L115HB3-CD2-HD2 1.487 47.044 0.806 1897486 E62HG3-L3CD2-HD2 2.281 47.283 0.612 953853 E62H-L3CD2-HD2 8.506 47.298 0.619 455420 A60HB-L3CD2-HD2 1.223 47.308 0.613 2546511 E62HA-L3CD2-HD2 4.557 47.313 0.612 1522941 D69HB3-L84CD2-HD2 2.593 47.345 0.767 1187560 L88HB2-L84CD2-HD2 2.083 47.345 0.768 1229343 added 05/22 L3HD1-CD2-HD2 0.814 47.346 0.615 5267658 I4H-L3CD2-HD2 8.899 47.355 0.616 1116713 ?-?-? 1.370 47.361 0.768 1160788 R86HG3-L84CD2-HD2 1.244 47.365 0.770 1088944 L84H/Y85H-CD2/L84CD2-HD2/L84HD2 9.064 47.365 0.767 1263512 L70HD1-L84CD2-HD2 0.380 47.374 0.766 1090770 L84HG-CD2-HD2 1.967 47.379 0.767 2370394 L84HA-CD2-HD2 5.163 47.381 0.767 1628027 R86HE-L84CD2-HD2 7.591 47.382 0.768 481075 L70HA-L84CD2-HD2 4.841 47.389 0.768 763635 L3HG-CD2-HD2 1.603 47.390 0.614 3400903 L3HD2/L99HD2-CD2/L99CD2-HD2/L99HD2 0.615 47.393 0.616 116850032 R86H-L84CD2-HD2 7.437 47.398 0.766 874312 A63H-L3CD2-HD2 9.208 47.419 0.617 1089721 L99HA-CD2-HD2 4.779 47.431 0.617 3692902 T2HB-L3CD2-HD2 4.330 47.457 0.618 932849 Y5QD-L3CD2-HD2 6.850 47.459 0.619 1237732 assigned 05/22 L99HG-CD2-HD2 1.380 47.478 0.616 2550832 L99HB3-CD2-HD2 1.012 47.501 0.614 2623230 L99H-CD2-HD2 7.859 47.519 0.618 497858 H83H-L70CD1-HD1 8.848 47.563 0.379 400153 I4HD1-L70CD1-HD1 0.559 47.575 0.379 1946476 L84HA-L70CD1-HD1 5.159 47.579 0.379 694908 L70HD2/L84HD1-CD1/L70CD1-HD1/L70HD1 0.831 47.581 0.379 5241829 L70HA-CD1-HD1 4.849 47.584 0.379 1550600 K71H-L70CD1-HD1 9.099 47.584 0.380 1113166 L70HB2-CD1-HD1 2.085 47.590 0.380 1011967 L70HD1-CD1-HD1 0.380 47.592 0.380 49286580 P82HB3-L70CD1-HD1 -0.384 47.594 0.380 617692 L70HB3/L70HG-CD1/L70CD1-HD1/L70HD1 0.961 47.640 0.381 4515947 L89H-L88CD1-HD1 9.234 48.066 0.899 1008581 E92HB2-L88CD1-HD1 2.538 48.071 0.898 1130641 L88HD2-CD1-HD1 0.642 48.074 0.897 5700166 L88HA-CD1-HD1 4.278 48.078 0.898 2248431 L88HG-CD1-HD1 1.683 48.084 0.898 2817265 L88HB2-CD1-HD1 2.082 48.094 0.896 1582958 L8HD2-L59CD1-HD1 0.219 48.129 -0.323 1573582 L59HD1-CD1-HD1 -0.320 48.133 -0.322 32990090 L8HD1-L59CD1-HD1 0.141 48.133 -0.324 1074872 L88HD2-L59CD1-HD1 0.650 48.145 -0.323 1261032 L59HD2-CD1-HD1 -0.742 48.153 -0.323 2346867 W13HE3-L59CD1-HD1 7.134 48.162 -0.326 339423 L59HB2/K6HB3-CD1/L59CD1-HD1/L59HD1 1.435 48.165 -0.323 1271212 L59HB3/L59HG-CD1/L59CD1-HD1/L59HD1 0.845 48.172 -0.322 3209334 K6HB2-L59CD1-HD1 1.636 48.183 -0.324 779215 V93HG2-L59CD1-HD1 0.971 48.233 -0.321 1442927 I4HD1-CG1-QG1 0.562 48.234 1.093 999728 I4H-CG1-QG1 8.901 48.258 1.087 556577 I4QG1-CG1-QG1 1.086 48.311 1.081 5799298 I4HB/V61HB-CG1/I4CG1-QG1/I4QG1 1.655 48.330 1.090 1233854 L36HD2/V61HG2-I4CG1/I4CG1-QG1/I4QG1 0.671 48.332 1.093 730643 G105H-L101CD1-HD1 8.190 48.412 0.716 572481 G52H-L101CD1-HD1 10.265 48.421 0.715 639648 unassigned by AS G105HA3-L101CD1-HD1 3.692 48.426 0.720 1356709 L101HB2-CD1-HD1 1.812 48.435 0.716 2118303 L101HG-CD1-HD1 1.653 48.447 0.718 3127190 L101H-CD1-HD1 8.521 48.448 0.715 641178 G105HA2-L101CD1-HD1 4.328 48.450 0.718 1242938 Q53H-L101CD1-HD1 7.594 48.452 0.720 446066 corrected 05/17 P107HD2-L101CD1-HD1 4.196 48.471 0.717 723064 L101HB3-CD1-HD1 1.142 48.484 0.716 1947065 L101HD1-CD1-HD1 0.722 48.496 0.722 92472152 K6HB3/A63HB-CG/I4CG1-HG2/I4QG1 1.469 48.593 1.089 512570 K6HA-CG-HG3 4.804 48.597 1.007 260754 K6HB3-CG-HG3 1.456 48.609 1.012 461929 K6HB2-CG-HG3 1.628 48.611 1.002 565996 K6HA-CG-HG2 4.819 48.631 1.088 326854 K6HB2-CG-HG2 1.636 48.633 1.088 925874 K6HD3-CG-HG2 1.739 48.633 1.088 472640 K6HD3-CG-HG3 1.738 48.633 1.001 450715 K6HD2-CG-HG2 2.423 48.649 1.092 191070 K6HG3-CG-HG3 1.021 48.653 1.000 2585478 K48HA-CG-HG3 3.928 48.657 0.502 385816 K48HA-CG-HG2 3.929 48.658 0.885 485999 D111H-G110CA-HA2 8.674 48.677 3.951 414964 K48HG2-CG-HG3 0.882 48.680 0.497 2502828 G110HA2-CA-HA3 3.951 48.685 3.549 4992385 G110HA2-CA-HA2 3.950 48.686 3.949 5687852 G110H-CA-HA3 8.805 48.686 3.549 1281861 G110HA3-CA-HA3 3.554 48.687 3.550 6571714 G110HA3-CA-HA2 3.554 48.692 3.949 4912438 K48HB3-CG-HG3 1.105 48.694 0.501 520752 K48HD2-CG-HG3 1.387 48.694 0.504 645638 L59HD1-CG-HG -0.320 48.699 0.845 608228 Y5QD-L58CD1-HD1 6.847 48.703 0.750 1151116 K48HD3-CG-HG3 1.328 48.703 0.504 848897 G110H-CA-HA2 8.809 48.710 3.950 1532079 K6H-L58CD1-HD1 8.861 48.726 0.750 589144 I34HG2-K6CG-HG2 0.928 48.727 1.094 1141956 K6HD2-CG-HG3 2.431 48.727 1.005 176368 K6HE2-CG-HG3 3.256 48.727 1.007 193324 L58HA-CD1-HD1 4.744 48.729 0.748 2262519 K48HG3-CG-HG3 0.504 48.733 0.505 18707874 L59H-L58CD1-HD1 9.264 48.737 0.749 964860 L58HG-CD1-HD1 1.328 48.738 0.747 2742818 K48HG3-CG-HG2 0.505 48.738 0.882 2307154 L58HD2-CD1-HD1 0.570 48.740 0.748 6283296 K48HB2-CG-HG3 1.531 48.741 0.507 530201 Y5HB2-L58CD1-HD1 2.820 48.744 0.748 1334655 L113HD1-G110CA-HA3 0.695 48.744 3.549 463417 Y5HB3-L58CD1-HD1 2.405 48.745 0.745 680587 K6HE2-CG-HG2 3.257 48.750 1.095 266036 L113HB2-G110CA-HA3 1.579 48.760 3.550 373126 K48HB2-CG-HG2 1.533 48.814 0.881 1935126 K48HD3-CG-HG2 1.314 48.814 0.878 1096061 K48HD2-CG-HG2 1.378 48.842 0.885 1528411 L8HD2-L59CG-HG 0.231 48.847 0.843 504782 L59HD2-CG-HG -0.738 48.857 0.844 689382 L59HB2-CG-HG 1.432 48.890 0.848 1039164 L115HB3-CD1-HD1 1.492 48.965 0.890 2913284 E40H-G39CA-HA3 9.371 48.999 3.722 281035 added 05/21 K71QB-CG-QG 1.672 49.004 1.249 1010533 unassigned by AS A42HB-G39CA-HA2 1.144 49.020 4.250 321990 L29HA-CD1-HD1 3.764 49.025 0.628 633398 E40H-G39CA-HA2 9.362 49.027 4.252 384705 add 05/21 G39H-CA-HA3 10.158 49.029 3.720 981452 K48HG2/L115HD1-CG/L115CD1-HG2/L115HD1 0.891 49.030 0.891 234980480 G39H-CA-HA2 10.160 49.039 4.243 1016833 Y5QE-G39CA-HA3 6.578 49.043 3.722 683316 G39HA2-CA-HA2 4.248 49.051 4.242 2208946 R86HG2-CG-HG2 1.419 49.052 1.416 6950519 D69HB2-R86CG-HG3 2.596 49.056 1.233 733190 G39HA2-CA-HA3 4.248 49.059 3.721 3274314 R86HB2-CG-HG2 2.279 49.064 1.415 445095 G39HA3-CA-HA2 3.726 49.069 4.249 2630271 A42HB-G39CA-HA3 1.143 49.071 3.716 428606 L115HB2/L115HG-CD1/L115CD1-HD1/L115HD1 1.644 49.072 0.890 5379399 L84HD2-R86CG-HG2 0.799 49.075 1.424 552934 Y5QE-G39CA-HA2 6.584 49.076 4.241 631198 L113HD2-G39CA-HA3 0.111 49.077 3.724 526990 R86HD2-CG-HG2 3.109 49.085 1.413 522747 L29H-CD1-HD1 8.310 49.088 0.622 692858 L29HG-CD1-HD1 1.384 49.109 0.623 3438887 L29HD1-CD1-HD1 0.624 49.111 0.624 119912936 A26HA-L29CD1-HD1 3.967 49.120 0.622 1438248 L29HB2-CD1-HD1 1.598 49.129 0.623 2175131 R86HG3-CG-HG2 1.223 49.133 1.419 2376478 L29HB3-CD1-HD1 1.289 49.154 0.622 2437624 R86HD3-CG-HG2 3.056 49.161 1.413 492967 R86HD3-CG-HG3 3.052 49.161 1.221 735242 R86HD2-CG-HG3 3.104 49.161 1.220 549628 R86HB3-CG-HG3 1.699 49.161 1.226 837195 R86HB3-CG-HG2 1.702 49.161 1.410 398948 R86HG2-CG-HG3 1.417 49.161 1.220 3176044 R86HB2-CG-HG3 2.280 49.165 1.220 537744 V90HG1-K17CG-HG2 0.896 49.210 0.441 872400 K17HA-CG-HG2 3.463 49.213 0.439 877579 K17HG2-CG-HG2 0.440 49.218 0.439 6426505 K17HB3-CG-HG2 1.368 49.224 0.439 1016181 K17HD2-CG-HG2 1.224 49.246 0.437 1017832 V90HG2-K17CG-HG2 0.708 49.248 0.437 567261 K17HG3-CG-HG2 0.238 49.255 0.437 3299215 K17H-CG-HG2 8.319 49.255 0.437 445748 K17H-CG-HG3 8.321 49.265 0.236 931619 K17HG2/V57HG1-CG/L8CD2-HG3/L8HD2 0.428 49.276 0.235 3428578 L84HD1-R86CG-HG3 0.810 49.276 1.217 645903 K17HD2-CG-HG3 1.225 49.282 0.233 792163 K17HB2-CG-HG3 1.380 49.282 0.233 1225171 R86HD3-CG-HG3 3.058 49.315 1.221 764403 L8HB3/K17HB3-CD2/K17CG-HD2/K17HG3 1.322 49.387 0.233 1448682 A18H/W13HZ2-K17CG/K17CG-HG3/K17HG3 7.299 49.388 0.235 389439 P82HG2-CD-HD3 1.808 49.400 3.716 536022 W13HE3-L8CD2-HD2 7.145 49.419 0.232 322940 P82HG2-CD-HD2 1.831 49.448 4.063 519201 W72HZ3-P82CD-HD3 6.947 49.449 3.720 561894 S37HA-P82CD-HD2 5.252 49.449 4.064 414169 added 05/21 S37HA-P82CD-HD3 5.251 49.449 3.722 432113 added 05/21 V57H-L8CD2-HD2 9.240 49.450 0.231 460439 P82HG3-CD-HD3 1.339 49.454 3.714 545008 L8HD2/K17HG3-CD2/K17CG-HD2/K17HG3 0.231 49.457 0.233 61667024 L89H-CD1-HD1 9.234 49.471 0.867 572757 L59HG-L8CD2-HD2 0.845 49.471 0.232 1915798 P82HD3-CD-HD2 3.717 49.472 4.061 1639556 P82HD2-CD-HD3 4.065 49.478 3.718 1472167 L8H-CD2-HD2 8.622 49.479 0.233 1832222 V57HB-L8CD2-HD2 1.495 49.482 0.232 1472904 L59HD1-L8CD2-HD2 -0.321 49.484 0.231 2067673 F81HB2-P82CD-HD2 3.190 49.485 4.062 421213 P82HD2-CD-HD2 4.064 49.486 4.060 1580341 F81HA-P82CD-HD2 5.159 49.490 4.062 973567 L8HG-CD2-HD2 1.679 49.491 0.233 1968418 W13HB2-L8CD2-HD2 3.208 49.501 0.237 381284 F81HA-P82CD-HD3 5.164 49.503 3.717 1000121 L59HD2-L8CD2-HD2 -0.742 49.506 0.233 1192133 P82HD3-CD-HD3 3.736 49.518 3.736 16040840 unassigned by AS P82HG3-CD-HD2 1.335 49.528 4.066 486155 W13HB3-L8CD2-HD2 2.958 49.529 0.231 626356 R21HG2-CG-HG3 1.475 49.544 1.222 3956574 R21HB2-CG-HG3 1.969 49.548 1.220 929305 W72HZ3-P82CD-HD2 6.952 49.583 4.060 368124 R21HD3-CG-HG2 2.903 49.619 1.502 443022 R21HD2-CG-HG3 3.049 49.629 1.224 539291 R21HD3-CG-HG3 2.898 49.639 1.220 567620 R21HG3-CG-HG2 1.222 49.643 1.490 3078868 L99HD1-CD1-HD1 0.523 49.649 0.520 31060312 R21HD2-CG-HG2 3.058 49.653 1.489 567118 R21HB2-CG-HG2 1.982 49.670 1.498 739749 I7HG2-L99CD1-HD1 -0.166 49.682 0.517 754138 unassigned by AS E64HA-CB-HB3 4.141 49.684 1.976 813541 P65HD2-E64CB-HB3 3.821 49.686 1.978 511280 P65HD2-E64CB-HB2 3.820 49.696 2.329 423749 R10HD2-CG-HG2 3.357 49.699 1.829 598435 R10HD2-CG-HG3 3.357 49.699 1.650 705737 R21HG2-CG-HG2 1.489 49.702 1.489 8949971 L99HB3-CD1-HD1 1.008 49.702 0.519 1843071 ?-?-? 1.579 49.708 0.519 1132721 R10HD3-CG-HG3 3.282 49.709 1.647 860290 E64HB2/E64HG3-CB/E64CB-HB3/E64HB3 2.350 49.711 1.976 2513863 E64HG2-CB-HB2 2.743 49.712 2.333 613267 E64HB2/E64HG3-CB/E64CB-HB2/E64HB2 2.350 49.717 2.338 1725591 R10HB2-CG-HG2 2.073 49.724 1.828 812253 E64HB3-CB-HB2 1.977 49.725 2.335 1527056 E64HG2-CB-HB3 2.743 49.729 1.973 984792 R10HD3-CG-HG2 3.269 49.731 1.830 873041 R10HG2-CG-HG3 1.834 49.735 1.651 4069627 L99HB2-CD1-HD1 1.667 49.737 0.518 1130754 E64HA-CB-HB2 4.146 49.745 2.330 375792 R10HE-CG-HG2 7.335 49.746 1.831 444229 R10HG3-CG-HG2 1.651 49.749 1.829 4375736 R10HG2/P82HG2-CG/P82CG-HG2/P82HG2 1.833 49.752 1.830 7402621 E64HB3-CB-HB3 1.977 49.760 1.974 2860087 L89QB/L89HG-CD1/L89CD1-HD1/L89HD1 1.707 49.768 0.867 5913838 L3HB2-CD1-HD1 1.725 49.768 0.834 1730374 E64H-CB-HB2 9.571 49.775 2.327 385668 L99HG-CD1-HD1 1.380 49.777 0.519 2158073 R10HA-CG-HG3 4.029 49.783 1.647 434070 ?-?-? 4.818 49.811 0.838 1041394 R10HA/P82HD2-CG/P82CG-HG2/P82HG2 4.044 49.812 1.833 526658 L99HD1-CG-HG 0.533 49.815 1.373 1333761 T2HG2-L3CD1-HD1 1.394 49.826 0.833 701400 A60HB-L3CD1-HD1 1.227 49.832 0.833 1955852 L56HB3-CG-HG 0.955 49.835 1.541 344067 R10HB2-CG-HG3 2.082 49.857 1.661 721441 L3HD2-CD1-HD1 0.629 49.862 0.832 3863786 L113HD2-CD1-HD1 0.111 49.864 0.691 2081046 L56HB2-CG-HG 1.845 49.866 1.542 587436 L3HG-CD1-HD1 1.609 49.867 0.835 2296425 L113H-CD1-HD1 7.518 49.873 0.688 526981 L56H-CG-HG 8.543 49.903 1.538 810429 L113HG/K6HB3/L109HB3-CD1/L36CD2/L113CD1-HD1/L36HD2/L113HD1 1.496 49.919 0.684 4025258 L113HD1-CG-HG 0.688 49.921 1.477 1696511 L56HG-CG-HG 1.537 49.927 1.537 3692622 L56HD1-CG-HG 0.867 49.929 1.538 1023945 L99HD2-CG-HG 0.613 49.929 1.374 1018564 I4HG2-P82CG-HG3 0.909 49.933 1.327 359953 L56HD2-CG-HG 0.672 49.936 1.543 1136264 L36HD2/L113HD1-CD2/L113CD1-HD2/L113HD1 0.674 49.945 0.677 98905576 L36HA-CD2-HD2 5.184 49.960 0.671 996113 L36HB2/L36HG/L113HB2/K6HB2-CD2/L36CD2/L113CD1/L36CD2-HD2/L36HD2/L113HD1/L36HD2 1.617 49.967 0.673 5557625 K6HA-L36CD2-HD2 4.812 49.967 0.673 930196 K6HG2/I4QG1-L36CD2/L36CD2-HD2/L36HD2 1.105 49.972 0.674 1900215 P82HB2-CG-HG2 1.042 49.974 1.846 286071 P82HD3-CG-HG2 3.718 49.975 1.839 273974 P82HB2-CG-HG3 1.015 49.978 1.351 463540 P82HB3-CG-HG3 -0.381 49.980 1.334 254113 K6H-L36CD2-HD2 8.863 49.981 0.669 444240 ?-?-? 0.871 49.987 0.661 3649431 S37H-L36CD2-HD2 9.113 50.010 0.672 510248 F22QD-L88CD2-HD2 7.284 50.014 0.643 444578 L59HD1-L88CD2-HD2 -0.319 50.048 0.640 695408 P82HD3-CG-HG3 3.725 50.048 1.336 407708 P82HG2-CG-HG3 1.850 50.049 1.332 1102285 ?-?-? 3.018 50.052 0.640 450677 L88HD1-CD2-HD2 0.896 50.054 0.644 3982111 Q108HA-L109CD1-HD1 4.489 50.064 0.578 534252 L113HD2-CG-HG 0.110 50.066 1.472 467674 P82HG3-CG-HG2 1.332 50.080 1.847 1015780 L113H-CG-HG 7.523 50.086 1.473 381442 L88HB3-CD2-HD2 1.283 50.086 0.639 1124389 L88HB2-CD2-HD2 2.087 50.089 0.638 956895 V106HG1-L109CD1-HD1 0.850 50.098 0.578 1725578 Q43HE22-L109CD1-HD1 8.086 50.103 0.579 588594 L109HB3/L109HG-CD1/L109CD1-HD1/L109HD1 1.497 50.143 0.580 4993709 A42HB-L109CD1-HD1 1.151 50.144 0.577 1602499 Q43HA-L109CD1-HD1 3.939 50.152 0.578 1259046 L58HD2/L109HD1-CD2/L109CD1-HD2/L109HD1 0.580 50.154 0.580 136829152 A97H-L58CD2-HD2 8.287 50.163 0.576 371920 L109H-CD1-HD1 8.853 50.176 0.580 1095850 L88HG-CD2-HD2 1.677 50.179 0.643 3364858 L109HA-CD1-HD1 4.332 50.180 0.581 829330 L88HD2-CG-HG 0.644 50.202 1.678 2086510 L58HA-CD2-HD2 4.759 50.204 0.583 595301 Q43HE21/Y5QD-L109CD1/L58CD2-HD1/L58HD2 6.835 50.215 0.581 976470 A60HA-CA-HA 4.735 50.239 4.738 1443499 L113HD2-L109CD1-HD1 0.115 50.241 0.577 1125540 L88HD1-CG-HG 0.890 50.250 1.676 1089719 L88HB2-CG-HG 2.091 50.250 1.668 528114 H112HB3-L109CD1-HD1 2.641 50.267 0.580 682751 L58HB3-CD2-HD2 0.980 50.275 0.575 1337618 L66HB2/L66HG-CG/L66CG-HG/L66HG 2.039 50.304 2.036 3050924 H112HB2-L109CD1-HD1 2.948 50.304 0.580 998232 L66HA-CG-HG 4.007 50.326 2.045 438854 L66H-CG-HG 7.410 50.331 2.035 727098 L66HD2-CG-HG 0.756 50.369 2.044 830940 L66HB3-CG-HG 1.345 50.418 2.044 303352 L88HD2-CG-HG 0.657 50.431 1.668 1901800 L58HG-CD2-HD2 1.317 50.457 0.582 1886155 P87HB2/R86HB3-CD/P87CD-HD2/P87HD2 1.736 50.520 3.734 901452 P87HB2/R86HB3-CD/P87CD-HD3/P87HD3 1.728 50.523 3.536 1084891 L66HD1-CG-HG 0.899 50.537 2.038 866288 P87HD3-CD-HD3 3.535 50.543 3.534 3684742 L70H-CD2-HD2 7.427 50.544 0.836 387839 P87HD3-CD-HD2 3.538 50.546 3.735 2700799 R86HA-P87CD-HD2 4.676 50.566 3.737 1516855 R86HA-P87CD-HD3 4.677 50.571 3.535 959597 P87HD2-CD-HD3 3.740 50.573 3.536 2525546 R86HB2-P87CD-HD2 2.288 50.576 3.740 442675 P87HG3-CD-HD2 1.911 50.577 3.739 1105413 P87HG3-CD-HD3 1.913 50.585 3.532 1006097 R86HB2-P87CD-HD3 2.288 50.597 3.532 555227 H83HB2-CA-HA 3.019 50.611 5.332 375679 W72HE1-L70CD2-HD2 10.307 50.631 0.829 651133 W72HZ2-L70CD2-HD2 7.154 50.632 0.832 362696 L36HD1-H83CA-HA 0.727 50.644 5.327 352538 P87HG2-CD-HD2 1.995 50.650 3.740 842951 P87HG2-CD-HD3 1.987 50.650 3.532 983040 H35HA-H83CA-HA 4.456 50.653 5.327 261294 A63HA-L70CD2-HD2 3.999 50.656 0.831 565889 L70HD1-CD2-HD2 0.380 50.656 0.827 2228297 I4HD1-L70CD2-HD2 0.552 50.657 0.825 1643767 L36H-H83CA-HA 8.446 50.663 5.326 366093 H83HA-CA-HA 5.331 50.664 5.327 4523450 L84H-H83CA-HA 9.067 50.669 5.326 1580304 H83H-CA-HA 8.838 50.669 5.330 291601 L109H-CD2-HD2 8.844 50.675 0.520 502405 A63HB-L70CD2-HD2 1.469 50.676 0.829 1625380 H83HD2-CA-HA 7.090 50.681 5.325 506577 L109HA-CD2-HD2 4.332 50.683 0.518 1013191 Q43HA-L109CD2-HD2 3.933 50.683 0.519 1080074 H83HB3-CA-HA 1.848 50.684 5.327 540834 L109HB3/L109HG-CD2/L109CD2-HD2/L109HD2 1.501 50.696 0.517 3983188 L109HD2-CD2-HD2 0.519 50.697 0.517 102847320 L3HB3-CG-HG 0.778 50.702 1.618 1712548 L3HD2-CG-HG 0.612 50.702 1.616 1330384 L3HD1-CG-HG 0.834 50.702 1.616 1685966 L70HD2-CD2-HD2 0.835 50.705 0.834 45551468 A42HB-L109CD2-HD2 1.145 50.707 0.514 1999387 W13HB2-L8CD1-HD1 3.196 50.710 0.143 503129 L113HD2-L109CD2-HD2 0.119 50.714 0.511 956861 H112HD2-L109CD2-HD2 6.838 50.727 0.519 307982 E12HB3-L8CD1-HD1 2.170 50.731 0.138 478910 L8HD1-CG-HG 0.139 50.742 1.670 1604537 L8HB3-CD1-HD1 1.322 50.744 0.138 825941 F22QD-L8CD1-HD1 7.291 50.746 0.138 706620 L8HG-CD1-HD1 1.687 50.748 0.137 2795386 W13HB3-L8CD1-HD1 2.964 50.748 0.139 698854 L115HB3-CG-HG 1.486 50.753 1.642 2487733 L58HD2-CG-HG 0.582 50.754 1.304 1017495 W13HA-L8CD1-HD1 4.938 50.757 0.137 700190 L115H-CG-HG 7.771 50.759 1.646 931364 L115HD1-CG-HG 0.855 50.760 1.649 2249683 L59HD1-L8CD1-HD1 -0.326 50.764 0.136 931510 L8HD1-CD1-HD1 0.136 50.766 0.137 36221344 L115HA-CG-HG 4.156 50.767 1.643 569176 E12HB2-L8CD1-HD1 2.450 50.767 0.138 677683 L101HG/L115HB2/L115HG-CG/L115CG/L115CG-HG/L115HG/L115HG 1.644 50.774 1.643 29117798 W13HE3-L8CD1-HD1 7.138 50.794 0.137 747856 L84HB2-CD1-HD1 2.066 50.798 0.836 1629650 W13H-L8CD1-HD1 8.577 50.805 0.138 672167 L101HD1/L101HD2-CG/L101CG-HG/L101HG 0.686 50.808 1.649 2437219 L8HD2-CG-HG 0.221 50.812 1.672 464433 L101H-CG-HG 8.526 50.813 1.653 1013035 L70HB2-CG-HG 2.100 50.825 0.935 684556 L101HB3-CG-HG 1.153 50.834 1.651 356097 R86H-L84CG-HG 7.440 50.863 1.939 478890 P87HD2-CD-HD2 3.764 50.865 3.761 19418290 Y5QD-L58CG-HG 6.841 50.895 1.307 277435 L58HD1-CG-HG 0.758 50.911 1.301 769185 L58HG-CG-HG 1.308 50.916 1.305 3866615 L29HA-CG-HG 3.764 50.918 1.389 494313 L70HD1-CG-HG 0.378 50.919 0.929 725686 L29H-CG-HG 8.314 50.920 1.386 973378 L29HG-CG-HG 1.389 50.922 1.388 8237116 L66H-CD1-HD1 7.423 50.931 0.903 693135 L58HB3-CG-HG 0.998 50.940 1.295 410514 L29HD2/L29HD1-CG/L29CG-HG/L29HG 0.595 50.941 1.387 2495234 L29HB2-CG-HG 1.600 50.947 1.387 1271623 R86H-L84CD1-HD1 7.432 50.960 0.851 569242 L58HB2-CG-HG 1.580 50.992 1.303 585281 L84HD1-CG-HG 0.843 50.999 1.940 1515817 L58HA-CG-HG 4.751 51.005 1.307 293672 I4HD1-L66CD1-HD1 0.552 51.021 0.900 1789448 L70HD1-L66CD1-HD1 0.378 51.032 0.902 1432661 L88HB3-L84CD1-HD1 1.284 51.039 0.847 935604 P65HG3-CD-HD2 1.902 51.040 3.813 1475991 L66HA/A63HA-CD1/L66CD1-HD1/L66HD1 4.005 51.041 0.901 1673606 E64HB2-P65CD-HD3 2.356 51.043 3.463 830523 L66HB2/L66HG-CD1/L66CD1-HD1/L66HD1 2.033 51.044 0.902 3306423 L88HA-L84CD1-HD1 4.279 51.048 0.848 706283 L84HG-CD1-HD1 1.956 51.049 0.849 2431817 E64HB2-P65CD-HD2 2.346 51.049 3.813 1214794 L66HD1-CD1-HD1 0.898 51.050 0.901 48841628 P65HD3-CD-HD2 3.467 51.052 3.815 2810325 E64H-P65CD-HD3 9.570 51.052 3.468 465250 P65HG3-CD-HD3 1.902 51.055 3.459 1838285 L66HB3-CD1-HD1 1.340 51.056 0.898 1472402 P65HD2-CD-HD2 3.822 51.057 3.815 3236984 P65HD2-CD-HD3 3.819 51.062 3.464 2822164 P65HD3-CD-HD3 3.467 51.066 3.462 4521416 E64H-P65CD-HD2 9.570 51.074 3.816 560090 L84HD2-CG-HG 0.776 51.075 1.942 807691 L66H-P65CD-HD3 7.413 51.087 3.465 348236 A63HB-L66CD1-HD1 1.462 51.096 0.897 753777 P65HG2/E64HB3-CD/P65CD-HD2/P65HD2 1.981 51.164 3.816 1527197 P65HG2/E64HB3-CD/P65CD-HD3/P65HD3 1.981 51.164 3.458 1636946 L89H-CG-HG 9.236 51.201 1.718 757337 L89HD1/L89HD2-CG/L89CG-HG/L89HG 0.860 51.205 1.716 2774933 ?-?-? 1.635 51.234 0.896 742252 P107HG2-CD-HD3 1.922 51.241 3.175 616132 ?-?-? 1.425 51.256 3.179 472793 P107HD2-CD-HD2 4.186 51.268 4.201 1590468 P107HD3-CD-HD3 3.178 51.270 3.176 3347650 P107HD2-CD-HD3 4.201 51.270 3.176 2408087 P107HB3-CD-HD3 1.556 51.270 3.179 401670 P107HD3-CD-HD2 3.180 51.271 4.197 1915664 P107HG3-CD-HD3 1.744 51.277 3.176 522861 R76QG-CG-QG 1.763 51.280 1.762 41732700 R76QB-CG-QG 1.970 51.286 1.759 4013896 V106HG1-P107CD-HD3 0.859 51.286 3.175 1097048 R76QD-CG-QG 3.263 51.289 1.762 1731553 V106HG1-P107CD-HD2 0.854 51.302 4.210 859171 A54HB-CA-HA 1.428 51.303 4.340 3709098 D98H-A97CA-HA 8.398 51.304 4.534 3396862 A54H-CA-HA 8.186 51.311 4.344 966462 N55H-A54CA-HA 8.900 51.315 4.343 2514687 A97HA-CA-HA 4.536 51.319 4.534 12923010 A97H-CA-HA 8.269 51.319 4.534 498098 L56HD2-A54CA-HA 0.702 51.320 4.339 1149521 A97HB-CA-HA 0.856 51.323 4.533 3152275 ?-?-? 3.451 51.324 3.891 760542 V106HA-P107CD-HD3 4.097 51.351 3.177 1236979 V106HA-P107CD-HD2 4.093 51.351 4.201 1322839 P107HB2/P107HG2-CD/P107CD-HD2/P107HD2 1.927 51.351 4.192 419734 P107HG3-CD-HD2 1.744 51.351 4.194 412387 R76HA-CG-QG 4.191 51.354 1.772 486077 E96H-R95CG-HG2 8.537 51.489 1.571 469667 R95HA-CG-HG3 4.652 51.503 1.478 465107 R95HA-CG-HG2 4.648 51.514 1.571 662409 R95QB-CG-HG3 1.759 51.521 1.479 2403390 R95QB-CG-HG2 1.758 51.532 1.565 3696186 E96H-R95CG-HG3 8.532 51.565 1.485 380478 L56HD1-CD1-HD1 0.862 51.589 0.860 53121240 W72HA-CB-HB2 4.725 51.618 2.999 347868 R95QD-CG-HG3 3.207 51.628 1.491 1515712 R95HG3-CG-HG3 1.510 51.635 1.491 16650905 W72H-CB-HB3 8.972 51.668 2.638 397779 W72HA-CB-HB3 4.718 51.675 2.643 359837 L56H-CD1-HD1 8.542 51.683 0.863 521697 L56HB2-CD1-HD1 1.870 51.691 0.861 2282221 L56HD2-CD1-HD1 0.669 51.693 0.861 4714562 F50QD-L56CD1-HD1 7.281 51.694 0.862 1001802 ?-?-? 0.520 51.701 0.861 1101028 L56HG-CD1-HD1 1.547 51.714 0.861 2790740 F50HB2-L56CD1-HD1 3.672 51.714 0.861 1409965 I7HG2-L56CD1-HD1 -0.165 51.715 0.862 1680106 F50HB3-L56CD1-HD1 2.928 51.715 0.862 874220 W72HE3-CB-HB2 6.913 51.721 3.013 267159 W72HE3-CB-HB3 6.918 51.722 2.636 456114 Q53HB2-L56CD1-HD1 2.268 51.725 0.862 1582719 R51QG/R95HG2-CG/R95CG-QG/R95HG2 1.543 51.726 1.559 21737760 Q53H-L56CD1-HD1 7.597 51.730 0.860 389585 W72HB2-CB-HB3 3.010 51.737 2.643 1848576 W72H-CB-HB2 8.973 51.740 3.008 606250 W72HB3-CB-HB3 2.645 51.745 2.644 1981282 R51QD/R95QD-CG/R95CG-QG/R95HG2 3.213 51.756 1.558 2040686 W72HB3-CB-HB2 2.645 51.756 3.004 1921129 I34HG2-L36CD1-HD1 0.892 51.763 0.723 3083421 R95HG3-CG-HG3 1.523 51.764 1.498 16200791 W72HB2-CB-HB2 3.011 51.767 3.003 2251988 P82HG2-L36CD1-HD1 1.878 51.779 0.724 821256 misassigned! should be I34 HB L36HD1-CD1-HD1 0.723 51.783 0.724 48832120 W72HD1-CB-HB2 7.196 51.786 3.013 298402 R95QD-CG-HG3 3.217 51.789 1.502 1581742 L70HD1-L36CD1-HD1 0.377 51.790 0.722 1104226 L84H-L36CD1-HD1 9.069 51.801 0.723 703854 I4HD1-L36CD1-HD1 0.550 51.804 0.722 1625148 L84HB2-L36CD1-HD1 2.024 51.804 0.722 776411 L36HA-CD1-HD1 5.180 51.819 0.725 432815 P87HB2-CG-HG2 1.753 51.861 1.983 1002664 P87HB2-CG-HG3 1.741 51.861 1.897 1652608 P87HD2-CG-HG2 3.761 51.861 1.983 711193 P87HD2-CG-HG3 3.753 51.861 1.903 683081 P87HD3-CG-HG2 3.527 51.861 1.988 590130 P87HD3-CG-HG3 3.530 51.861 1.896 572029 P65HD2-CG-HG3 3.820 51.862 1.907 753824 P65HD3-CG-HG3 3.488 51.865 1.900 750431 L36HB2/L36HG-CD1/L36CD1-HD1/L36HD1 1.608 51.872 0.724 2456886 P65HG2/P87HG3-CG/P87CG-HG2/P87HG2 1.947 51.876 1.977 10112447 P87HB3-CG-HG2 1.493 51.876 1.983 731564 P65HD3-CG-HG2 3.493 51.879 1.980 794552 P65HD2-CG-HG2 3.818 51.883 1.977 731037 P65HG3/P87HG3-CG/P87CG-HG3/P87HG3 1.921 51.908 1.903 10880570 P65HB2-CG-HG2 2.389 51.919 1.977 1050708 R80HG2-CG-HG2 1.689 51.921 1.683 8720389 P65HB2-CG-HG3 2.397 51.930 1.901 1191527 R51HB2-CG-QG 2.028 51.941 1.545 844920 G52H-R51CG-QG 10.257 51.956 1.532 494568 ?-?-? 4.666 52.014 1.690 674879 R80QD-CG-HG3 3.072 52.017 1.370 1084447 R80HG3/A74HB-CG/R80CG-HG2/R80HG2 1.370 52.018 1.679 2998411 P87HB3-CG-HG3 1.504 52.021 1.904 660373 R80HG2-CG-HG3 1.686 52.031 1.367 3089795 A79HA-CA-HA 4.355 52.034 4.353 19280618 R86HB2-CB-HB2 2.288 52.036 2.290 2035722 R80HA-CG-HG3 4.641 52.037 1.365 493053 R80QD-CG-HG2 3.068 52.039 1.679 1123733 ?-?-? 3.104 52.048 3.102 29655130 R86HG3-CB-HB3 1.218 52.054 1.714 362901 ?-?-? 4.600 52.058 3.103 2110391 R86HG2-CB-HB2 1.425 52.064 2.288 296354 R86HD2-CB-HB2 3.078 52.074 2.292 582130 P87HD3-R86CB-HB3 3.533 52.080 1.726 590086 R86HG3-CB-HB2 1.219 52.081 2.287 421146 V106HG1-P107CG-HG3 0.861 52.090 1.748 558074 P107HG2-CG-HG3 1.922 52.091 1.749 2189172 P107HD3-CG-HG2 3.155 52.091 1.902 358947 R86HB3-CB-HB2 1.724 52.095 2.286 1635830 A79HB-CA-HA 1.298 52.096 4.354 3096942 R86HB2-CB-HB3 2.289 52.097 1.723 1676271 A79H-CA-HA 7.881 52.100 4.356 505042 R80H-A79CA-HA 8.370 52.101 4.356 2861111 P87HD3-R86CB-HB2 3.541 52.109 2.280 375064 P87HD2-R86CB-HB2 3.741 52.110 2.286 377535 L89HD2-P87CG-HG3 0.857 52.110 1.900 521430 R86HA-CB-HB2 4.680 52.115 2.286 651402 P107HD3-CG-HG3 3.153 52.121 1.746 648068 R86HD2-CB-HB3 3.082 52.124 1.718 743024 R86HA-CB-HB3 4.681 52.124 1.724 730829 P87HD2-R86CB-HB3 3.725 52.130 1.731 535438 P107HD2-CG-HG3 4.208 52.142 1.748 454673 P107HD2-CG-HG2 4.207 52.154 1.889 399707 A38H-CA-HA 9.654 52.169 4.970 308405 L101HD2-P107CG-HG3 0.645 52.176 1.747 502136 G39H-A38CA-HA 10.156 52.189 4.971 1405793 D102H-CA-HA 8.039 52.190 4.612 906716 A103H-D102CA-HA 8.381 52.191 4.614 1479285 D102HB3-CA-HA 2.614 52.194 4.613 1805852 A38HB-CA-HA 1.785 52.212 4.972 2013913 D102HB2-CA-HA 3.345 52.213 4.614 1900035 I4HG2-A38CA-HA 0.932 52.220 4.974 1278122 unassigned by AS L101HD2-P107CG-HG2 0.652 52.227 1.901 606860 A74HA-CA-HA 4.738 52.244 4.731 4691914 D102HA-CA-HA 4.614 52.244 4.614 10753403 I4HA-A38CA-HA 4.743 52.323 4.960 1487788 L36HA-CG-HG 5.189 52.501 1.607 634655 L59HA-CA-HA 4.723 52.534 4.720 3847056 D100HA-CA-HA 4.948 52.539 4.945 14485450 E40H-CB-QB 9.372 52.574 2.112 1135537 D100HB2-CA-HA 2.708 52.575 4.943 1637412 L101H-D100CA-HA 8.520 52.584 4.943 2637796 D100HB3-CA-HA 2.584 52.590 4.942 1030238 D100H-CA-HA 9.228 52.593 4.943 544237 Q43H-CB-HB3 9.201 52.599 1.965 709825 added 05/24 Q43H-CB-HB2 9.188 52.616 2.070 754880 K71QG/K71HD3-CD/K71CD-HD2/K71HD2 1.251 52.617 1.476 4497194 R10HG3-CB-HB3 1.657 52.631 1.926 831734 Q43HA-CB-HB3 3.939 52.643 1.968 673687 K71HD2-CD-HD2 1.477 52.647 1.476 20331672 L59HB3/L59HG-CA/L59CA-HA/L59HA 0.842 52.651 4.712 1030444 L36HD2-CG-HG 0.653 52.657 1.611 1565073 L36HD1-CG-HG 0.725 52.657 1.610 951809 I7HA-CG1-HG13 4.709 52.666 0.476 386031 I7HA-CG1-HG12 4.713 52.677 1.363 465061 K71HD2-CD-HD3 1.476 52.677 1.215 2403592 K71HE2-CD-HD2 2.656 52.678 1.475 768355 R10H-CB-HB2 9.102 52.685 2.081 724696 A11H-R10CB-HB3 8.746 52.686 1.929 604244 I7H-CG1-HG12 8.267 52.693 1.374 437853 R10HA-CB-HB3 4.024 52.693 1.927 499288 L58HD1-I7CG1-HG12 0.749 52.693 1.368 676646 R10H-CB-HB3 9.091 52.702 1.932 796784 R10HA-CB-HB2 4.017 52.712 2.075 787591 L58HD1-I7CG1-HG13 0.760 52.714 0.492 491206 I7HG12/A46HB-CG1/I7CG1-HG13/I7HG13 1.373 52.722 0.490 2209268 L59HB2-CA-HA 1.440 52.725 4.715 656078 I7HG2-CG1-HG12 -0.172 52.726 1.376 606588 I7HG13-CG1-HG13 0.496 52.727 0.490 2788363 E40HA-CB-QB 4.240 52.728 2.097 1979764 I7HD1-CG1-HG12 0.601 52.732 1.373 1590671 I7HD1-CG1-HG13 0.609 52.732 0.486 1498689 K71HE2-CD-HD3 2.653 52.732 1.218 460385 K71HE3-CD-HD2 2.569 52.733 1.472 536096 I7HB-CG1-HG13 0.933 52.734 0.480 353105 I7HG2-CG1-HG13 -0.170 52.735 0.487 590235 Q43HA-CB-HB2 3.947 52.743 2.066 490687 Q43HG3-CB-HB3 2.344 52.743 1.972 1723333 A114HA-CA-HA 4.228 52.751 4.225 24783666 A114HB-CA-HA 1.375 52.751 4.225 4119825 L115H-A114CA-HA 7.776 52.751 4.227 1657556 I34HG2-L36CG-HG 0.880 52.751 1.612 1136358 I7HG13/K48HG3-CG1/K48CD-HG12/K48HD2 0.494 52.758 1.374 3038356 I34H-CG1-HG12 8.645 52.761 1.634 298741 A114H-CA-HA 7.654 52.769 4.226 1346807 I34HG13-CG1-HG12 0.590 52.784 1.621 2040939 R10HG3-CB-HB2 1.665 52.787 2.075 725840 I34HD1-CG1-HG12 0.834 52.791 1.627 1396269 K71HE3-CD-HD3 2.549 52.797 1.217 824119 I34HG12-CG1-HG13 1.628 52.811 0.582 1541351 I34HB-CG1-HG13 1.871 52.814 0.586 308749 I34HG13-CG1-HG13 0.581 52.818 0.580 2168108 I34HB-CG1-HG12 1.880 52.819 1.625 408914 I34HA-CG1-HG13 3.815 52.836 0.584 364244 I7HB/K48HG2-CG1/K48CD-HG12/K48HD2 0.902 52.841 1.378 1139006 I34HD1-CG1-HG13 0.832 52.843 0.583 1044190 I7HG12/K48HD2/A46HB-CG1/K48CD/I7CG1-HG12/K48HD2/I7HG12 1.370 52.876 1.381 29195196 I34HA-CG1-HG12 3.827 52.879 1.616 376047 K48HD3-CD-HD3 1.327 52.888 1.309 25114462 K48HE2-CD-HD3 2.655 52.893 1.305 560580 K48HG3-CD-HD3 0.500 52.894 1.313 942554 K48HG2-CD-HD3 0.887 52.929 1.307 625507 K17HD2/K71HD3-CD/K71CD-HD2/K71HD3 1.223 52.942 1.226 25554806 K48HE2-CD-HD2 2.652 52.988 1.388 525577 K48HE3-CD-HD3 2.573 52.988 1.308 429497 K48HE3-CD-HD2 2.599 52.992 1.388 633294 I34HG12-CG1-HG12 1.651 53.005 1.647 12349897 Q53H-CB-HB2 7.599 53.094 2.260 654332 L56HD2-Q53CB-HB3 0.658 53.097 2.183 646096 E44QB/E68HB2-CB/E68CB-QB/E68HB2 2.145 53.102 2.148 38401176 Q53HA-CB-HB3 4.443 53.102 2.178 790443 L56HD1-Q53CB-HB3 0.864 53.103 2.180 655513 K17HE3-CD-HD3 2.320 53.104 1.182 452202 T45H-E44CB-QB 8.288 53.105 2.145 959279 Q53H/D69H-CB/E68CB-HB3/E68HB2 7.599 53.107 2.184 730539 E44H-CB-QB 8.603 53.113 2.144 2398180 L56HD1-Q53CB-HB2 0.867 53.115 2.252 549821 K17HE2-CD-HD2 2.526 53.138 1.237 536090 K17HE2-CD-HD3 2.519 53.138 1.185 623217 K17HG2-CD-HD3 0.437 53.138 1.188 853170 L56HD2-Q53CB-HB2 0.668 53.144 2.255 610183 K17HG3-CD-HD2 0.237 53.154 1.238 683288 K17HE3-CD-HD2 2.326 53.155 1.238 484782 E68QG-CB-HB2 2.321 53.156 2.159 11117069 E68HA-CB-HB2 4.209 53.160 2.152 3049314 K17HG2-CD-HD2 0.439 53.165 1.238 832040 ?-?-? 4.761 53.165 2.145 461377 K17HG3-CD-HD3 0.241 53.167 1.185 733743 Q53HA-CB-HB2 4.440 53.215 2.255 466600 E68HA-CB-HB3 4.207 53.238 1.975 1595835 P82HG3-CB-HB2 1.329 53.271 1.025 385391 added 05/24 L101HB2-CA-HA 1.796 53.305 4.636 458277 A97HB-E96CA-HA 0.841 53.331 5.320 725712 E68HB3-CB-HB2 1.987 53.341 2.159 7361752 E68QG-CB-HB3 2.318 53.344 1.969 3867662 Q108H-CB-HB3 8.569 53.345 2.048 881499 D69HA-E68CB-HB3 4.559 53.350 1.947 551647 L59HD2-E96CA-HA -0.740 53.356 5.319 789070 E96HA-CA-HA 5.321 53.359 5.318 9487443 ?-?-? 8.483 53.363 1.940 568056 L101H-CA-HA 8.536 53.364 4.630 678993 E96HB3-CA-HA 1.669 53.366 5.319 2325248 E62H-CB-QB 8.488 53.367 1.891 669650 A97H-E96CA-HA 8.290 53.369 5.318 2658745 E96H-CA-HA 8.540 53.374 5.319 815148 D102H-L101CA-HA 8.032 53.374 4.635 1541099 E68HB2-CB-HB3 2.158 53.376 1.974 7639373 L101HB3-CA-HA 1.147 53.381 4.638 667212 E62HG3-CB-QB 2.293 53.391 1.888 1240617 V57HG1-E96CA-HA 0.398 53.401 5.315 324867 Q108HA-CB-HB3 4.502 53.403 2.052 557496 L59HA-E96CA-HA 4.704 53.404 5.319 1215065 Q108HB3-CB-HB3 2.083 53.406 2.057 7998358 P82HA-CB-HB3 3.645 53.409 -0.390 396567 E92H-CB-HB2 7.603 53.413 2.537 593201 L101HG-CA-HA 1.646 53.413 4.636 490435 K6HG2-CD-HD2 1.082 53.419 2.429 401117 Q108HA-CB-HB2 4.497 53.419 2.146 803801 L101HD2-CA-HA 0.660 53.422 4.633 1441646 K6HE2-CD-HD2 3.262 53.434 2.420 271383 K6HD3-CD-HD2 1.743 53.440 2.430 1438847 K6HD2-CD-HD2 2.429 53.443 2.428 2017774 P82HA-CB-HB2 3.648 53.444 1.028 419505 I4HD1-P82CB-HB2 0.551 53.459 1.024 434076 E92H-CB-HB3 7.610 53.459 2.091 434116 E62HA-CB-QB 4.556 53.460 1.910 474775 E92HB2-CB-HB3 2.537 53.461 2.087 1979454 E92HB2-CB-HB2 2.538 53.462 2.538 2116185 K6HD2-CD-HD3 2.433 53.462 1.745 1571634 E92HB3-CB-HB2 2.085 53.466 2.539 1761136 K6HE2-CD-HD3 3.229 53.467 1.750 403354 L36HB2/L36HG-P82CB-HB2 1.627 53.467 1.026 277531 added 05/24 E92QG-CB-HB2 2.254 53.468 2.540 1046665 L89QB/L88HG-E92CB/E92CB-HB2/E92HB2 1.707 53.468 2.537 472043 P82HB2-CB-HB3 1.026 53.470 -0.383 1144909 L70HD1-P82CB-HB3 0.371 53.475 -0.379 321788 P82HB3-CB-HB2 -0.385 53.475 1.026 1239793 P82HB2-CB-HB2 1.029 53.478 1.027 1541119 K6HG3-CD-HD2 1.014 53.478 2.429 280676 K6HE3-CD-HD2 3.091 53.478 2.422 177098 P82HB3-CB-HB3 -0.385 53.479 -0.384 1205097 E92HA-CB-HB2 4.233 53.482 2.535 400708 I34HG2-K6CD-HD2 0.911 53.482 2.440 344088 P82HG3-CB-HB3 1.338 53.484 -0.380 350167 L70HD1-P82CB-HB2 0.381 53.493 1.028 501427 P82HG2-CB-HB3 1.849 53.495 -0.385 286637 L36HD2-K6CD-HD3 0.665 53.502 1.746 389238 K6HG3-CD-HD3 1.000 53.510 1.749 393123 I34HG2-K6CD-HD3 0.927 53.510 1.743 344163 K6HG2-CD-HD3 1.058 53.513 1.750 413380 E92HA-CB-HB3 4.224 53.514 2.085 867887 I4HD1-P82CB-HB3 0.562 53.521 -0.377 319296 P82HG2-CB-HB2 1.852 53.545 1.025 351050 L88HA-CA-HA 4.280 53.590 4.280 5943265 L88H-CA-HA 8.098 53.594 4.282 327348 L88HG-CA-HA 1.690 53.597 4.277 725450 K6HE3-CD-HD3 3.113 53.598 1.751 456323 L89H-L88CA-HA 9.232 53.616 4.279 1934386 L88HD1-CA-HA 0.883 53.628 4.279 2762806 L88HB3-CA-HA 1.282 53.644 4.280 739468 R76HA-CB-QB 4.200 53.663 1.977 2731043 H35HA-CB-HB2 4.449 53.672 3.359 356542 ?-?-? 1.973 53.673 5.148 559753 H35HB3-CB-HB2 3.173 53.685 3.359 1069236 H35HB2-CB-HB3 3.355 53.701 3.165 1182938 H35HB2-CB-HB2 3.358 53.706 3.357 1593784 L88HB2-CA-HA 2.092 53.723 4.280 564215 E23HB2/R76QB-CB/R76CB-HB2/R76QB 1.978 53.729 1.977 56362688 L70HA-L84CA-HA 4.837 53.733 5.153 671040 L84HD2-CA-HA 0.771 53.736 5.156 1567487 L84HA-CA-HA 5.161 53.746 5.156 3194808 H35HA-CB-HB3 4.423 53.764 3.163 472206 L84H/Y85H-CA/L84CA-HA/L84HA 9.059 53.777 5.156 1733414 H35H-CB-HB3 9.211 53.803 3.171 317917 R76QD-CB-QB 3.261 53.809 1.979 1201275 L70HD1-L84CA-HA 0.370 53.829 5.161 419233 L109H-CG-HG 8.846 53.834 1.509 452421 L84HB3-CA-HA 0.992 53.836 5.160 609064 Y85QD-L84CA-HA 7.209 53.847 5.157 317854 L109HB3/L109HG-CG/L109CG-HG/L109HG 1.500 53.857 1.498 8778353 E23HB3/R76QG-CB/R76CB-HB2/R76QB 1.789 53.858 1.980 8188850 L84HB2-CA-HA 2.013 53.867 5.157 452336 L84HG-CA-HA 1.910 53.867 5.156 430977 L109HD1-CG-HG 0.590 53.869 1.498 2235563 L109HA-CG-HG 4.341 53.874 1.503 497009 L56H-N55CA-HA 8.539 53.902 4.597 1194602 K71HA-CA-HA 4.718 53.921 4.713 4405354 N55HA-CA-HA 4.597 53.937 4.595 13006893 R51QD-CB-HB3 3.223 53.944 1.762 773510 L109HD2-CG-HG 0.523 53.947 1.498 1866310 E23H-CB-HB3 9.051 53.952 1.800 610402 N55HB2-CA-HA 3.006 53.958 4.596 2760505 N55H-CA-HA 8.898 53.960 4.596 3063496 E23HA-CB-HB2 3.885 53.963 1.987 695452 R51QD-CB-HB2 3.214 53.973 2.030 653415 R51QG-CB-HB3 1.537 53.975 1.768 1471365 R51HB3-CB-HB3 1.777 53.981 1.773 9535123 G20H-Q19CB-QB 8.284 54.000 2.253 537395 R51HB2-CB-HB3 2.025 54.001 1.776 4964278 E23HA-CB-HB3 3.890 54.002 1.802 510448 R21H-Q19CB-QB 7.792 54.008 2.255 757336 R51H-CB-HB2 7.383 54.011 2.034 1205874 also F50 HN R51QG-CB-HB2 1.531 54.013 2.036 1084084 Q19HG3-CB-QB 2.514 54.014 2.254 1449783 R51H-CB-HB3 7.383 54.020 1.769 978993 A54HB-N55CA-HA 1.416 54.021 4.580 649077 R51HB3-CB-HB2 1.779 54.023 2.029 4116457 R51HA-CB-HB2 4.192 54.023 2.030 859655 R51HA-CB-HB3 4.188 54.028 1.773 628309 Q19HA-CB-QB 4.531 54.033 2.254 1968051 Q19QB-CB-QB 2.256 54.035 2.255 27272938 Q19H-CB-QB 7.443 54.045 2.255 1452666 R21HG2/A18HB-Q19CB/Q19CB-QB/Q19QB 1.496 54.055 2.250 539561 Q19HG2-CB-QB 2.662 54.063 2.252 1007437 E116QB-CB-QB 1.903 54.075 1.901 34582636 E116HA-CB-QB 4.147 54.087 1.901 1498388 E116H-CB-QB 8.110 54.100 1.905 1046141 ?-?-? 3.164 54.107 3.164 56222464 ?-?-? 7.004 54.144 3.066 700666 ?-?-? 3.058 54.145 3.064 137482240 ?-?-? 4.580 54.148 3.071 3737203 ?-?-? 3.029 54.155 3.005 103314352 ?-?-? 7.003 54.158 3.003 832400 ?-?-? 4.577 54.173 3.001 2993176 L56HB3-CA-HA 0.957 54.282 4.672 600067 L56HD2-CA-HA 0.671 54.297 4.673 1359503 ?-?-? 9.213 54.391 4.672 1741420 A30HB-CA-HA 1.364 54.413 3.995 5299424 A30H-CA-HA 7.455 54.417 3.995 1555848 A18H-CA-HA 7.298 54.418 4.101 1579042 A30HA-CA-HA 3.998 54.520 3.994 29802252 A18HA/A103HA-CA/A103CA-HA/A103HA 4.097 54.521 4.094 45436544 A18HB/A103HB-CA/A103CA-HA/A103HA 1.440 54.522 4.093 8921116 G105H-A103CA-HA 8.208 54.532 4.093 465797 Q41HA-CB-QB 4.754 54.581 2.356 634159 Q19QB-A16CA-HA 2.261 54.584 4.333 794021 Q19H-A16CA-HA 7.421 54.589 4.337 733653 A16HB-CA-HA 1.585 54.590 4.334 3809502 A16H-CA-HA 7.947 54.590 4.336 1191806 Q41H/A42H-CB/Q41CB-QB/Q41QB 7.506 54.591 2.349 734632 R21H-A16CA-HA 7.788 54.610 4.335 410533 Q19HG2-A16CA-HA 2.661 54.617 4.335 747795 A103H-CA-HA 8.380 54.620 4.089 1212111 D104H-A103CA-HA 8.042 54.623 4.093 574656 A16HA-CA-HA 4.336 54.632 4.334 18573168 Q41QB-CB-QB 2.355 54.663 2.355 4041106 R86HA-CA-HA 4.676 54.747 4.676 8378573 R21H-CA-HA 7.781 54.769 5.112 614691 L89QB-R21CA-HA 1.705 54.780 5.111 402220 Q108QG-CA-HA 2.427 54.797 4.490 900287 R21HB2-CA-HA 1.975 54.799 5.113 1332995 F22H-R21CA-HA 9.821 54.803 5.112 1991136 V90HG2-R21CA-HA 0.706 54.803 5.114 819957 Q43HE22-Q108CA-HA 8.098 54.811 4.497 730359 L89HD2-R21CA-HA 0.861 54.813 5.114 871138 V90H-R21CA-HA 7.666 54.814 5.111 929567 Q108HB2-CA-HA 2.143 54.828 4.492 1088035 R21HA-CA-HA 5.120 54.830 5.115 7736633 L89HA-R21CA-HA 4.556 54.832 5.110 1394180 L109H-Q108CA-HA 8.853 54.833 4.493 2889173 Q108H-CA-HA 8.566 54.838 4.492 408785 A63H-CA-HA 9.174 54.854 3.993 752854 F81H-CA-HA 8.711 54.854 5.155 292941 F81HB3-CA-HA 2.696 54.865 5.154 343383 W72HE3/W72HZ3-F81CA/F81CA-HA/F81HA 6.953 54.870 5.147 372433 R21HB3-CA-HA 1.404 54.872 5.113 1262514 L8HG-W13CB-HB3 1.657 54.872 2.942 283357 added 05/21 ?-?-? 1.478 54.875 3.975 2696581 A63 Ha - Hb R86HB2-CA-HA 2.281 54.877 4.677 1097048 P82HD3-F81CA-HA 3.720 54.878 5.162 1351882 Q41HE22-F81CA-HA 6.280 54.879 5.166 487814 unassigned by AS A16HB-F22CA-HA 1.587 54.887 5.185 1090330 P82HD2-F81CA-HA 4.066 54.887 5.163 874731 F22HA-CA-HA 5.181 54.888 5.175 8250210 F22QD-CA-HA 7.292 54.892 5.184 1255024 Q108HB3-CA-HA 2.055 54.893 4.491 800796 E23H-F22CA-HA 9.048 54.898 5.185 2003821 P87HD3-R86CA-HA 3.549 54.905 4.675 1172692 Q108HA-CA-HA 4.492 54.909 4.491 9962427 W13HB3-CB-HB2 2.968 54.909 3.190 2128546 R86H-CA-HA 7.439 54.910 4.680 714178 A18H-A15CA-HA 7.292 54.913 4.158 595464 P87HD2-R86CA-HA 3.735 54.915 4.677 1634962 A16H-A15CA-HA 7.951 54.917 4.167 501867 R86HB3-CA-HA 1.727 54.922 4.677 1291054 A15HB-CA-HA 1.532 54.926 4.163 5791494 F81HB2-CA-HA 3.184 54.928 5.165 600364 A47HA-CA-HA 3.958 54.932 3.954 15860121 V106HG2-A47CA-HA 0.891 54.932 3.949 2491829 added 05/22 F22QB-CA-HA 3.032 54.934 5.186 1165436 W13HA-CB-HB3 4.944 54.952 2.957 491268 R10HA-W13CB-HB2 4.030 54.953 3.188 365614 V106HG1-A47CA-HA 0.836 54.960 3.949 2396934 assigned 05/22 W13HD1-CB-HB3 7.050 54.964 2.958 385747 E12HA-CB-HB3 4.174 54.966 2.166 765466 A47HB-CA-HA 1.517 54.972 3.949 3856385 A15H-CA-HA 7.600 54.974 4.159 1630289 W13HD1-CB-HB2 7.022 54.977 3.186 366329 W13H-E12CB-HB2 8.573 54.983 2.454 366213 F81QD-CA-HA 7.545 54.984 5.158 333710 E12HA-CB-HB2 4.165 54.985 2.465 427168 F81H-CA-HA 8.708 54.995 5.153 306858 W13HA-CB-HB2 4.923 55.003 3.194 232833 W13HB2-CB-HB3 3.195 55.006 2.952 1735773 A47H/K48H-CA/A47CA-HA/A47HA 8.074 55.007 3.945 1209323 E12HB3-CB-HB2 2.169 55.011 2.454 1756726 F22H-CA-HA 9.820 55.012 5.189 322149 E12H-CB-HB3 7.954 55.015 2.178 411985 W13H-CB-HB3 8.579 55.019 2.951 579824 E12H-CB-HB2 7.950 55.027 2.452 568656 E12HB3-CB-HB3 2.171 55.028 2.170 3201194 W13H-CB-HB2 8.582 55.042 3.193 614518 E12HB2/E12HG3-CB/E12CB-HB3/E12HB3 2.455 55.042 2.172 3329470 L8HD1-E12CB-HB3 0.132 55.062 2.172 434026 W13H-E12CB-HB3 8.581 55.063 2.168 344900 ?-?-? 5.122 55.070 4.563 1725483 D14H-W13CB-HB2 9.267 55.078 3.197 436440 L8HD1-W13CB-HB3 0.157 55.087 2.961 444484 added 05/21 W13HB3-CB-HB2 2.984 55.092 3.189 2382757 A15HA-CA-HA 4.161 55.133 4.156 27775254 L8HD1-E12CB-HB2 0.153 55.141 2.464 275921 V90H-L89CA-HA 7.662 55.151 4.557 1700538 L89HD1/L89HD2-CA/L89CA-HA/L89HA 0.855 55.154 4.563 2256502 R21HB3-L89CA-HA 1.400 55.167 4.569 695912 ?-?-? 4.818 55.174 4.128 1048993 L89QB/L89HG-CA/L89CA-HA/L89HA 1.708 55.176 4.563 1391421 L89H-CA-HA 9.212 55.232 4.576 490542 V90H-CB-HB 7.669 55.249 1.942 1219352 S91H-V90CB-HB 8.122 55.255 1.936 524000 P65HB2-CB-HB2 2.403 55.264 2.403 7895128 V90HA-CB-HB 3.789 55.267 1.946 687495 V90HG2-CB-HB 0.710 55.283 1.946 1898072 P65HG2-CB-HB3 1.986 55.285 1.856 1557422 P65HG2-CB-HB2 1.986 55.285 2.404 1346851 F33HB3-CA-HA 1.473 55.286 4.219 2550760 P65HD3-CB-HB2 3.478 55.286 2.403 307134 P65HB3/P65HG3-CB/P65CB-HB3/P65HB3 1.866 55.291 1.855 5941610 V90HG1-CB-HB 0.892 55.293 1.944 2179218 P65HB3/P65HG3-CB/P65CB-HB2/P65HB2 1.865 55.294 2.402 5610074 P65HB2-CB-HB3 2.403 55.296 1.853 3705848 P65HA-CB-HB2 4.438 55.297 2.400 1569406 D31QB-CA-HA 1.852 55.307 4.416 1715057 P65HD3-CB-HB3 3.461 55.308 1.845 341044 P65HA-CB-HB3 4.438 55.317 1.854 729181 D31HA-CA-HA 4.418 55.330 4.415 12852281 K17HG3-CB-HB2 0.241 55.337 1.380 622472 K17HA-CB-HB2 3.464 55.350 1.394 975000 I7HD1-A46CA-HA 0.614 55.351 4.268 1031716 F50QD-A46CA-HA 7.280 55.352 4.267 2200482 A46H-CA-HA 8.284 55.352 4.268 778755 K17H-CB-HB2 8.323 55.353 1.383 861256 W49H-CB-HB3 7.978 55.356 2.753 423406 F33QD-CA-HA 5.966 55.357 4.208 513098 K17HG2-CB-HB2 0.431 55.358 1.385 633362 K17HA-CB-HB3 3.460 55.359 1.357 792068 V90HB-CB-HB 1.949 55.365 1.949 8944086 I34H-F33CA-HA 8.642 55.365 4.213 1412946 F33HB2-CA-HA 1.831 55.370 4.223 1101696 D31H-CA-HA 7.671 55.374 4.415 891992 W49H-CB-HB2 7.981 55.383 2.918 508711 F50HB3-A46CA-HA 2.918 55.383 4.261 763569 A18H-K17CB-HB3 7.294 55.387 1.359 440740 W49HA-CB-HB3 4.817 55.387 2.760 570708 A46HB-CA-HA 1.372 55.387 4.263 1241320 F50QD-W49CB-HB2 7.290 55.389 2.917 473239 F33H-CA-HA 7.242 55.389 4.214 1122068 W49HA-CB-HB2 4.815 55.390 2.918 398769 L113HD2-CA-HA 0.113 55.396 4.140 2093987 A18H-K17CB-HB2 7.298 55.402 1.389 483117 Q41HA-CA-HA 4.754 55.403 4.740 3512601 W49HD1-CB-HB2 7.367 55.404 2.915 327344 W49HD1-CB-HB3 7.364 55.404 2.753 207785 K17HB3-CB-HB2 1.370 55.413 1.387 7163059 W49HB2-CB-HB3 2.919 55.415 2.758 2474521 A11HA/A46HA-CA/A46CA-HA/A46HA 4.255 55.419 4.250 30067232 W49HB3-CB-HB2 2.756 55.432 2.916 2007529 K17HG2-CB-HB3 0.425 55.436 1.350 599970 K17HG3-CB-HB3 0.243 55.436 1.348 594235 K17H-CB-HB3 8.324 55.436 1.348 702980 F50QD-W49CB-HB3 7.286 55.437 2.754 359530 H112HB2-CB-HB2 2.949 55.442 2.948 4819083 A11HB-CA-HA 1.486 55.442 4.249 5978824 W49HE3-CB-HB3 7.647 55.452 2.758 228906 A11H-CA-HA 8.735 55.453 4.245 1327155 D14HB2-A11CA-HA 2.683 55.461 4.248 889463 L113H-CA-HA 7.525 55.491 4.139 678159 F81H-R80CA-HA 8.726 55.506 4.625 1732900 M1HB3-CB-HB3 2.587 55.528 2.568 7033946 L113HA/L115HA-CA/L115CA-HA/L115HA 4.147 55.562 4.142 32340776 M1HB2/H112HB3-CB/H112CB-HB2/H112HB3 2.637 55.570 2.647 9912294 M1HG3-CB-HB2 2.134 55.584 2.648 234594 L113HB3-CA-HA 1.368 55.585 4.135 1339736 A114H-L113CA-HA 7.645 55.585 4.138 1036211 R80H-CA-HA 8.376 55.626 4.623 660729 M1HB2-CB-HB3 2.672 55.629 2.568 2912525 M1HB3-CB-HB2 2.557 55.629 2.645 4955172 M1HG3-CB-HB3 2.115 55.635 2.568 318298 L115HB2/L115HG/L113HB2-CA/L115CA/L113CA-HA/L115HA/L113HA 1.625 55.650 4.142 2266306 L109HD1-H112CB-HB2 0.585 55.656 2.951 865333 H112HB2-CB-HB3 2.951 55.660 2.641 2285658 V27HG2/L101HD2-CB/P107CB-HB/P107HB3 0.658 55.662 1.587 2064912 V27HG1-CB-HB 0.435 55.662 1.585 1646566 H112H-CB-HB2 7.476 55.664 2.954 478004 V27H-CB-HB 7.926 55.664 1.586 1677340 H112HA-CB-HB3 4.474 55.665 2.643 475373 V27HA-CB-HB 3.593 55.665 1.580 918084 L113HG/L115HB3-CA/L115CA-HA/L115HA 1.485 55.665 4.145 2418164 D28H-V27CB-HB 6.922 55.671 1.584 643297 H112H/L113H-CB/H112CB-HB3/H112HB3 7.490 55.673 2.644 654527 V27HB/P107HB3-CB/P107CB-HB/P107HB3 1.585 55.676 1.584 13471350 L109HD1-H112CB-HB3 0.583 55.679 2.641 681541 H112HB3-CB-HB2 2.643 55.680 2.950 2493004 H112HA-CB-HB2 4.472 55.690 2.949 834679 Q19H-CA-HA 7.442 55.695 4.531 1360653 L99HD1-P107CB-HB2 0.531 55.700 1.961 572545 added P107HA-CB-HB2 4.740 55.711 1.963 553596 Q19QB-CA-HA 2.254 55.713 4.529 3125588 L115H-CA-HA 7.776 55.714 4.142 932690 E116H-L115CA-HA 8.114 55.722 4.141 1229553 L115HD2-CA-HA 0.812 55.734 4.142 2530887 P107HB2-CB-HB3 1.951 55.743 1.570 2208110 R80HB3/R95HG2-CA/R95CA-HA/R95HA 1.537 55.752 4.642 1115936 ?-?-? 8.143 55.756 4.585 1126138 G20H-Q19CA-HA 8.275 55.766 4.531 495930 P107HB3-CB-HB2 1.567 55.767 1.964 2251213 L66H-CA-HA 7.418 55.775 4.020 796315 L66HB2/L66HG-CA/L66CA-HA/L66HA 2.034 55.776 4.014 1141011 ?-?-? 4.779 55.782 1.579 577268 R95H-CA-HA 7.519 55.790 4.645 871801 L66HA-CA-HA 4.021 55.805 4.016 10270611 ?-?-? 3.062 55.805 4.578 8474653 ????? L70HA-D69CA-HA 4.829 55.809 4.574 3972578 D69HA-CA-HA 4.582 55.817 4.580 215054544 R80HB2/R95QB-CA/R95CA-HA/R95HA 1.761 55.817 4.644 2205958 L66HB3-CA-HA 1.336 55.820 4.014 1239270 L66HD2-CA-HA 0.758 55.820 4.015 2641409 Q19HG2-CA-HA 2.670 55.850 4.539 783686 E96H-R95CA-HA 8.538 55.859 4.647 3567054 P82HA-W72CA-HA 3.645 55.869 4.708 838537 G67H-L66CA-HA 7.745 55.886 4.030 345615 L36H-CA-HA 8.476 55.914 5.178 507961 R21HG3-CB-HB3 1.235 55.919 1.395 825320 R21HG2-CB-HB2 1.497 55.919 1.978 1709119 R21HG2-CB-HB3 1.497 55.919 1.392 1256369 R80H-CB-HB3 8.375 55.952 1.535 318962 added 05/16 D69H-CA-HA 7.624 55.960 4.589 974085 L36HA-CA-HA 5.184 55.962 5.181 6645086 L36HD2-CA-HA 0.680 55.965 5.182 1214356 L36HB2/L36HG-CA/L36CA-HA/L36HA 1.634 55.967 5.181 2015255 S37H-L36CA-HA 9.125 55.973 5.179 1115096 R80QD-CB-HB3 3.069 55.993 1.533 522968 L36HB3-CA-HA 1.554 55.994 5.182 1331815 R80H-CB-HB2 8.369 56.019 1.760 594923 F22H-R21CB-HB3 9.821 56.031 1.397 534889 D69HB3-CA-HA 2.565 56.033 4.583 1769393 I34HG2-L36CA-HA 0.900 56.041 5.190 451775 L89HD2-R21CB-HB3 0.853 56.047 1.394 446975 R80HB2-CB-HB3 1.749 56.051 1.527 2925068 F22H-R21CB-HB2 9.820 56.062 1.977 422094 R80QD-CB-HB2 3.069 56.063 1.758 667847 R21HB3-CB-HB2 1.404 56.067 1.978 3073258 R21HB2-CB-HB3 1.982 56.075 1.396 2105052 R21HA-CB-HB2 5.111 56.077 1.981 968324 R80HB2/P87HB2-CB/P87CB-HB2/P87HB2 1.757 56.083 1.757 6228941 R21HD2-CB-HB3 3.077 56.084 1.387 347614 R21HA-CB-HB3 5.108 56.098 1.386 541763 K6HA-L36CA-HA 4.815 56.100 5.180 499868 D69HB2-CA-HA 2.626 56.101 4.585 1478322 R21HD2-CB-HB2 3.054 56.111 1.980 545944 R80HB3/P87HB3-CB/P87CB-HB2/P87HB2 1.513 56.111 1.752 3746228 R80HA-CB-HB3 4.659 56.113 1.532 323367 L70H-D69CA-HA 7.431 56.114 4.586 738330 R21HG3-CB-HB2 1.223 56.131 1.979 569393 R80HB3/P87HB3-CB/P87CB-HB3/P87HB3 1.518 56.138 1.507 1938857 Q53H-CA-HA 7.600 56.165 4.432 1057803 Q53QG-CA-HA 2.301 56.177 4.432 2145758 D111H-CA-HA 8.664 56.178 4.309 857743 D111HB2-CA-HA 2.335 56.181 4.313 1711197 D111HB3-CA-HA 1.946 56.183 4.313 1165832 R80QD-CB-HB3 3.069 56.188 1.530 415853 A54H-Q53CA-HA 8.187 56.188 4.432 4478204 R80HA-CB-HB2 4.656 56.189 1.747 307600 P87HA-CB-HB2 4.307 56.201 1.748 758446 P87HG2-CB-HB3 1.987 56.227 1.505 1041963 P87HG3-CB-HB3 1.914 56.227 1.504 884422 P87HG2-CB-HB2 1.995 56.227 1.746 1228642 P87HG3-CB-HB2 1.916 56.227 1.748 1289280 E23HA-P87CB-HB2 3.887 56.230 1.749 381861 V93HB-CB-HB 2.451 56.235 2.449 7016506 V93HG1-CB-HB 0.828 56.240 2.449 1999244 D111HA-CA-HA 4.321 56.243 4.318 25599214 V93HG2-CB-HB 0.974 56.246 2.450 1940339 P87HA-CB-HB3 4.284 56.258 1.511 316404 V93H-CB-HB 7.486 56.264 2.448 1647095 Q108HE21-V106CB-HB 7.185 56.285 2.303 330026 Q53HB3-CA-HA 2.206 56.308 4.431 1569671 D104H-V106CB-HB 8.042 56.310 2.305 325128 V106HB-CB-HB 2.298 56.321 2.298 6436800 V106HG1/V106HG2-CB/V106CB-HB/V106HB 0.877 56.322 2.299 2988824 Q53HA-CA-HA 4.445 56.336 4.443 12352485 V93HA-CB-HB 4.055 56.341 2.444 443502 L88H-P87CB-HB2 8.089 56.342 1.740 298227 V106H-CB-HB 8.887 56.345 2.302 1248622 V106HA-CB-HB 4.074 56.369 2.296 366134 L109H-CA-HA 8.853 56.434 4.336 695699 L109HB2-CA-HA 1.557 56.471 4.332 1902092 L109HD1-CA-HA 0.576 56.472 4.332 1831135 H112HD2-L109CA-HA 6.850 56.504 4.332 1337131 L109HB3/L109HG-CA/L109CA-HA/L109HA 1.486 56.515 4.333 2109536 E92HB3-CA-HA 2.081 56.522 4.214 1646180 E92H-CA-HA 7.588 56.522 4.223 1065959 E92HA-CA-HA 4.227 56.529 4.222 14987113 E92HB2-CA-HA 2.538 56.530 4.221 1130984 E92QG-CA-HA 2.257 56.530 4.221 2534770 E73HA-CB-HB3 4.762 56.542 1.603 502629 A26H-CA-HA 9.097 56.567 3.968 980603 E73HB2-CB-HB3 2.036 56.574 1.607 1561967 H35HD2-D28CA-HA 7.448 56.581 4.520 917117 corrected 05/17! D28HB2-CA-HA 2.926 56.581 4.522 314297 D28HB3-CA-HA 2.661 56.581 4.523 724964 ?-?-? 4.800 56.583 3.940 566517 A26HB-CA-HA 1.434 56.602 3.968 4761901 A26HA-CA-HA 3.968 56.603 3.963 22203956 A42HB-CA-HA 1.149 56.603 3.937 2621180 L29HB2-A26CA-HA 1.600 56.603 3.968 887929 T45H/A46H-A42CA/A42CA-HA/A42HA 8.298 56.603 3.944 755546 E73HB2-CB-HB2 2.042 56.605 2.037 3898368 L29HD1-A26CA-HA 0.620 56.605 3.965 1525037 E73HB3-CB-HB2 1.619 56.606 2.034 2301834 E73HA-CB-HB2 4.760 56.608 2.029 589750 T45HB-A42CA-HA 4.497 56.609 3.939 795927 H112HA-CA-HA 4.477 56.614 4.475 16409092 D28H-CA-HA 6.960 56.623 4.514 556494 A42H-CA-HA 7.519 56.626 3.937 824223 H112HB2-CA-HA 2.948 56.650 4.475 1582133 L88H-E23CA-HA 8.098 56.669 3.878 355091 P87HA-E23CA-HA 4.291 56.670 3.878 805368 H112H/L113H-CA/H112CA-HA/H112HA 7.488 56.673 4.479 1060475 H112HB3-CA-HA 2.643 56.676 4.477 1038952 E23HB3-CA-HA 1.788 56.683 3.879 1175193 E23HA-CA-HA 3.889 56.684 3.882 9514807 I34HD1-E23CA-HA 0.817 56.700 3.877 534826 E23HB2-CA-HA 1.947 56.702 3.880 1764346 ?-?-? 1.463 56.714 3.887 576994 ?-?-? 4.682 56.727 3.872 457722 E23H-CA-HA 9.049 56.740 3.876 535355 L3HD2-E62CA-HA 0.613 56.814 4.550 1065581 A63H-E62CA-HA 9.173 56.827 4.555 1902557 E62QB-CA-HA 1.907 56.858 4.553 1208397 E116HA-CA-HA 4.145 56.916 4.141 29468296 W49H-K48CB-HB3 7.990 56.919 1.102 498080 E116H-CA-HA 8.127 56.920 4.140 1223199 L3HA-E62CA-HA 4.850 56.929 4.548 631229 E116QB-CA-HA 1.903 56.930 4.141 2578072 E116HG3-CA-HA 2.109 56.947 4.140 712446 ?-?-? 4.814 56.958 4.141 754862 A30H-L29CA-HA 7.462 57.007 3.762 310746 W49H-K48CB-HB2 7.994 57.012 1.539 546587 G32H-L29CA-HA 7.915 57.018 3.754 302555 W49HD1-K48CB-HB3 7.374 57.024 1.106 359005 L29HB2-CA-HA 1.598 57.024 3.758 1027895 K48HA-CB-HB2 3.934 57.035 1.537 1057836 L29HD2-CA-HA 0.568 57.041 3.761 3637633 L29HB3-CA-HA 1.295 57.049 3.761 1679700 L29HA-CA-HA 3.764 57.052 3.760 15270022 K48HG2-CB-HB2 0.893 57.055 1.539 506507 K48H-CB-HB3 8.086 57.055 1.100 1042187 L29H-CA-HA 8.312 57.055 3.762 868932 K48HB3-CB-HB3 1.107 57.058 1.105 8518894 K48HB2-CB-HB2 1.539 57.060 1.542 7280122 M1HG3-CG-HG3 2.138 57.060 2.121 4911232 K48HB2-CB-HB3 1.538 57.061 1.104 4300836 K48HB3-CB-HB2 1.107 57.064 1.539 4094026 K48H-CB-HB2 8.088 57.064 1.540 1366770 H83HB3-CB-HB3 1.837 57.088 1.845 1710356 K48HG2-CB-HB3 0.896 57.088 1.103 752193 K48HG3-CB-HB2 0.501 57.092 1.545 482390 K48HA-CB-HB3 3.931 57.096 1.104 942120 K48HG3-CB-HB3 0.507 57.106 1.108 663108 M1HG2-CG-HG2 2.153 57.139 2.170 4740270 H83HB2-CB-HB3 3.013 57.178 1.848 960944 Y85QE-H83CB-HB3 6.520 57.182 1.849 211843 H83HB2-CB-HB2 3.014 57.184 3.011 1488489 W49HD1-K48CB-HB2 7.365 57.186 1.545 362372 H83HB3-CB-HB2 1.849 57.196 3.006 966597 ?-?-? 4.403 57.200 4.401 86860416 Y85QE-H83CB-HB2 6.514 57.243 3.013 434978 M1HB3-CG-HG3 2.554 57.311 2.130 227435 H83HA-CB-HB3 5.334 57.319 1.846 378052 A18HB-Q19CG-HG3 1.488 57.379 2.516 650275 Q19HG2-CG-HG3 2.670 57.388 2.515 8516169 Q19HE21/Q19H-CG/Q19CG-HG3/Q19HG3 7.423 57.393 2.513 1171502 Q19HG3-CG-HG3 2.515 57.394 2.514 26434578 Q19HA-CG-HG2 4.539 57.399 2.666 567713 Q19HG2-CG-HG2 2.668 57.401 2.666 22129254 Q19HG3-CG-HG2 2.514 57.406 2.665 7825306 A16HA-Q19CG-HG3 4.339 57.406 2.515 410863 R21H-Q19CG-HG2 7.787 57.412 2.662 334662 R21H-Q19CG-HG3 7.787 57.414 2.513 747688 Q19QB-CG-HG2 2.257 57.415 2.663 1544013 A18HB-Q19CG-HG2 1.488 57.427 2.665 543153 Q19QB-CG-HG3 2.257 57.429 2.512 2397930 ?-?-? 7.406 57.436 2.457 303825 F81 QE ..... v. weak!! Q19HE21/Q19H-CG/Q19CG-HG2/Q19HG2 7.429 57.438 2.667 1232377 Q19HA-CG-HG3 4.534 57.439 2.511 530856 A16HA-Q19CG-HG2 4.331 57.459 2.669 622004 Q41HE22-CG-HG2 6.286 57.467 2.441 214452 E96HG2-CB-HB2 2.178 57.531 1.702 726912 E96HB3-CB-HB3 1.671 57.538 1.643 9254809 H35H-CA-HA 9.206 57.539 4.460 376395 E96HG2-CB-HB3 2.177 57.543 1.640 639482 E96HA-CB-HB3 5.324 57.552 1.643 1102728 E96HA-CB-HB2 5.321 57.557 1.693 1104262 A97H-E96CB-HB3 8.279 57.564 1.650 549176 V57HG1-E96CB-HB2 0.411 57.567 1.678 533544 Q41HG3-CG-HG3 2.213 57.571 2.208 4797184 E96HB2-CB-HB2 1.681 57.573 1.700 9500612 E68QG-CA-HA 2.321 57.573 4.219 1910473 Q41H-CG-HG2 7.484 57.580 2.437 378805 A97H-E96CB-HB2 8.295 57.580 1.689 451077 V57HG1-E96CB-HB3 0.406 57.582 1.640 522162 ?-?-? 5.987 57.583 4.450 422124 F33 QD.....very weak!! Q41HA-CG-HG3 4.758 57.596 2.204 516869 W13HE1-E96CB-HB3 10.400 57.596 1.666 353441 added! observed in 15N- Q41H-CG-HG3 7.510 57.598 2.211 548657 E68HB3-CA-HA 1.991 57.601 4.215 1745596 E68HB2-CA-HA 2.155 57.615 4.214 2146797 Q41HG2-CG-HG3 2.402 57.640 2.213 3231019 Q41HE21-CG-HG3 7.001 57.653 2.211 370215 Q41HG3-CG-HG2 2.208 57.659 2.439 3156203 ; 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 'all H's' . 9199.632 . . . 15281 1 2 C 1 'aliphatic C's' . 4828.585 . . . 15281 1 3 H 1 'aliphatic H's' . 11160.714 . . . 15281 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 3 $SPARKY . . 15281 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 15281 _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 5 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details ; Aromatic C13 NOESY peak list from 3D C13-NOESY in H2O, Bruker 800 This peak list was combined with the aliphatic C13 NOESY peak list in H2O for AutoStructure calculations and RPF analysis. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note W72HE1-CZ2-HZ2 10.307 113.962 7.130 1403401 T2HG2-W72CZ2-HZ2 1.338 113.964 7.125 619234 W72HZ2-CZ2-HZ2 7.129 113.974 7.130 18176860 W72HH2-CZ2-HZ2 6.966 113.979 7.130 3423402 A63HB-W72CZ2-HZ2 1.477 113.980 7.126 1149747 I4HG2-W72CZ2-HZ2 0.918 114.002 7.130 1403501 ?-?-? 1.331 114.325 7.413 399010 E96HB2-W13CZ2-HZ2 1.678 114.471 7.332 395036 V90HG1-W13CZ2-HZ2 0.862 114.475 7.340 1301744 W13HE1-CZ2-HZ2 10.417 114.492 7.341 1755817 V93HG2-W13CZ2-HZ2 0.947 114.496 7.343 956311 K17HD2-W13CZ2-HZ2 1.228 114.507 7.342 550932 W13HH2-CZ2-HZ2 6.927 114.511 7.339 3110208 W13HZ2-CZ2-HZ2 7.341 114.511 7.340 23410092 L59HD2-W13CZ2-HZ2 -0.731 114.514 7.342 625261 W49HZ2-CZ2-HZ2 7.409 114.526 7.409 30175652 W49HE1-CZ2-HZ2 10.233 114.534 7.409 1079045 V93HB-W13CZ2-HZ2 2.472 114.537 7.338 447707 W49HH2-CZ2-HZ2 7.117 114.542 7.409 3524189 ?-?-? 2.675 114.548 7.403 439761 G39HA3-Y5QCE-QE 3.728 117.576 6.584 1449658 L3HB3-Y5QCE-QE 0.779 117.582 6.579 972948 L113HD2-Y5QCE-QE 0.119 117.595 6.583 1119500 G39HA2-Y5QCE-QE 4.252 117.612 6.582 1219406 Y5QD-QCE-QE 6.850 117.613 6.583 4793823 L3HB2-Y5QCE-QE 1.762 117.616 6.584 682688 A60HB-Y5QCE-QE 1.240 117.626 6.583 2658098 L58HD2-Y5QCE-QE 0.596 117.629 6.584 1064946 Y5QE-QCE-QE 6.581 117.631 6.582 27108188 G39H-Y5QCE-QE 10.163 117.678 6.583 725791 L3HG-Y5QCE-QE 1.620 117.691 6.576 510701 Y85HB2-QCE-QE 3.581 117.732 6.523 402203 K71HB3-Y85QCE-QE 1.602 117.757 6.526 1648008 K71HB2-Y85QCE-QE 1.686 117.757 6.526 1367776 H83HB2-Y85QCE-QE 3.016 117.759 6.525 1266084 K71HD3-Y85QCE-QE 1.250 117.759 6.530 1502939 Y85QD-QCE-QE 7.212 117.765 6.526 4432948 Y85QE-QCE-QE 6.528 117.765 6.526 24884040 H83HB3-Y85QCE-QE 1.852 117.774 6.525 1485826 F33QD-Y85QCE-QE 5.988 117.776 6.524 736192 K71H-Y85QCE-QE 9.097 117.849 6.530 588314 H112HB2-CD2-HD2 2.956 118.136 6.855 670951 H112H-CD2-HD2 7.494 118.162 6.854 917288 L109HD2-H112CD2-HD2 0.520 118.162 6.855 1023527 L109HG-H112CD2-HD2 1.519 118.166 6.858 742304 L109HA-H112CD2-HD2 4.339 118.178 6.855 3369962 L109HD1-H112CD2-HD2 0.612 118.178 6.856 3517664 H112HD2-CD2-HD2 6.855 118.189 6.856 23841800 H112HB3-CD2-HD2 2.644 118.192 6.853 1197275 H35HA-H83CD2-HD2 4.455 118.354 7.087 2031646 L36H-H83CD2-HD2 8.459 118.519 7.094 933862 H83HD2-CD2-HD2 7.088 118.523 7.096 17721106 H83HA-CD2-HD2 5.335 118.558 7.091 1896176 W72HB3-CE3-HE3 2.652 119.431 6.916 1146206 P82HD3-W72CE3-HE3 3.715 119.454 6.914 431012 R80HG3-W72CE3-HE3 1.377 119.456 6.917 461253 W72HB2-CE3-HE3 3.028 119.464 6.921 637601 W72HE3-CE3-HE3 6.922 119.487 6.926 15621367 R80HB2-W72CE3-HE3 1.777 119.501 6.921 803403 W72HA-CE3-HE3 4.718 119.554 6.919 440828 R80HB3-W72CE3-HE3 1.541 119.555 6.919 553465 W13HA-CZ3-HZ3 4.949 119.749 6.474 396130 F22QB-W13CZ3-HZ3 3.029 119.913 6.473 891855 A16HB-W13CZ3-HZ3 1.593 119.920 6.473 920622 L59HD1-W13CZ3-HZ3 -0.316 119.920 6.472 626425 V93HG2-W13CZ3-HZ3 0.939 119.930 6.472 829015 W13HZ3-CZ3-HZ3 6.474 119.933 6.474 14113241 V90HG2-W13CZ3-HZ3 0.709 119.946 6.474 955824 W13HE3-CZ3-HZ3 7.150 119.952 6.474 1842334 W13HZ2/F22QD-CZ3/W13CZ3-HZ3/W13HZ3 7.321 119.958 6.474 649859 V90HA-W13CZ3-HZ3 3.789 119.961 6.466 428412 W13HH2-CZ3-HZ3 6.916 119.963 6.473 2138690 H35H-CD2-HD2 9.207 120.373 7.457 907298 H35HB2-CD2-HD2 3.358 120.379 7.460 317981 V27HG1-H35CD2-HD2 0.432 120.382 7.457 838898 H35HD2-CD2-HD2 7.458 120.384 7.458 12603849 D28HA-H35CD2-HD2 4.521 120.389 7.458 1578443 H35HB3-CD2-HD2 3.179 120.453 7.454 516071 W49HE3-CE3-HE3 7.635 121.096 7.632 10402200 W49HA-CE3-HE3 4.811 121.100 7.630 823646 ?-?-? 7.628 121.139 7.085 2411893 W49HZ3-CE3-HE3 7.103 121.169 7.630 982010 P82HD3-W72CZ3-HZ3 3.715 121.194 6.956 566336 A38HB-W72CZ3-HZ3 1.789 121.261 6.961 1386511 W72HH2/W72HZ3-CZ3/W72CZ3-HZ3/W72HZ3 6.957 121.282 6.961 11303872 ?-?-? 4.463 121.808 7.086 968920 ?-?-? 7.089 121.871 7.633 1764912 W49HH2/W49HZ3-CZ3/W49CZ3-HZ3/W49HZ3 7.091 121.972 7.086 12278706 L8HD1-W13CE3-HE3 0.148 122.730 7.134 1758630 L59HD1-W13CE3-HE3 -0.311 122.755 7.139 690950 W13HA-CE3-HE3 4.943 122.756 7.138 3818346 W13HE3-CE3-HE3 7.134 122.762 7.136 12345828 A16HB-W13CE3-HE3 1.593 122.766 7.138 1963169 W13HZ3-CE3-HE3 6.476 122.797 7.137 2158901 W13HB3-CE3-HE3 2.974 122.841 7.140 592515 A38HB-W72CH2-HH2 1.794 123.436 6.977 1387353 P82HG3-W72CH2-HH2 1.368 123.437 6.977 544693 I4HG2-W72CH2-HH2 0.926 123.438 6.974 1600114 W72HZ2-CH2-HH2 7.134 123.469 6.970 2066104 W72HH2/W72HZ3-CH2/W72CH2-HH2/W72HH2 6.967 123.476 6.972 12226036 W13HH2-CH2-HH2 6.925 124.327 6.926 14560548 V93HG2-W13CH2-HH2 0.950 124.332 6.926 2271638 V90HG2-W13CH2-HH2 0.710 124.342 6.926 1004948 W13HZ2-CH2-HH2 7.339 124.349 6.925 2763294 W13HZ3-CH2-HH2 6.475 124.357 6.926 2262256 V90HA-W13CH2-HH2 3.790 124.374 6.925 1487363 V93HB-W13CH2-HH2 2.457 124.388 6.923 740786 W49HH2/W49HZ3-CH2/W49CH2-HH2/W49HH2 7.113 124.680 7.118 29841198 W49HZ2-CH2-HH2 7.406 124.681 7.118 3662233 K17HE2-W13CD1-HD1 2.519 126.874 7.022 371994 R10HG3-W13CD1-HD1 1.674 126.876 7.030 533959 V57HG1-W13CD1-HD1 0.418 126.943 7.031 1694285 K17HD2-W13CD1-HD1 1.216 126.947 7.026 596394 W13HB2-CD1-HD1 3.205 126.947 7.031 2224762 ?-?-? 0.177 126.948 7.036 370192 L8 HD1....v. weak!! V57HG2-W13CD1-HD1 0.756 126.951 7.031 2060944 W13HD1-CD1-HD1 7.030 126.966 7.031 29592782 K17HE3-W13CD1-HD1 2.335 126.968 7.027 398243 W13HE1-CD1-HD1 10.415 126.974 7.031 4556284 W13HB3-CD1-HD1 2.958 126.994 7.033 1165456 L59HD2-W13CD1-HD1 -0.728 126.997 7.035 467390 R10HE-W13CD1-HD1 7.307 127.025 7.031 632297 R10HA-W13CD1-HD1 4.044 127.045 7.031 568000 K48HG3-W49CD1-HD1 0.523 127.408 7.380 367417 F33HZ-CZ-HZ 6.545 127.419 6.542 6878353 F33QE-CZ-HZ 5.588 127.439 6.542 1418680 W49H-CD1-HD1 7.985 127.475 7.375 717217 T45HA-W49CD1-HD1 4.124 127.531 7.379 1790112 W49HB3-CD1-HD1 2.763 127.537 7.376 656773 W49HD1-CD1-HD1 7.380 127.537 7.380 25939680 W49HE1-CD1-HD1 10.234 127.543 7.380 2846449 K48HB2/T45HG2-W49CD1/W49CD1-HD1/W49HD1 1.505 127.545 7.380 2735588 W49HB2-CD1-HD1 2.926 127.560 7.381 1000235 K48HB3-W49CD1-HD1 1.109 127.567 7.382 731272 W49HA-CD1-HD1 4.816 127.598 7.384 747727 W72HD1-CD1-HD1 7.195 127.840 7.196 27761358 W72HB3-CD1-HD1 2.651 127.853 7.192 630206 W72HE1-CD1-HD1 10.309 127.855 7.196 4568169 W72HA/K71HA-CD1/W72CD1-HD1/W72HD1 4.724 127.858 7.197 839167 W72HB2-CD1-HD1 3.012 127.868 7.194 1342772 L70HG-W72CD1-HD1 0.932 127.885 7.197 449781 W72H-CD1-HD1 8.976 127.890 7.195 1745364 L70HD2-W72CD1-HD1 0.858 127.910 7.196 589383 F33QE-QCE-QE 5.585 128.692 5.587 3988882 F33QD-QCE-QE 5.984 128.729 5.585 1007135 F33HZ-QCE-QE 6.546 128.858 5.590 648451 A79HB-F81CZ-HZ 1.308 129.892 7.410 508714 F81HZ/F81QE-CZ/F81CZ-HZ/F81HZ 7.405 129.987 7.409 15922253 F50HZ-CZ-HZ 7.343 130.442 7.348 7461649 ?-?-? 7.296 131.305 7.485 1775510 ?-?-? 7.488 131.328 7.293 1625429 L8HD1-F22QCD-QD 0.152 131.367 7.289 627720 ?-?-? 7.493 131.367 7.487 2926763 L88HD2-F22QCD-QD 0.638 131.380 7.296 1199202 F22QD-QCD-QD 7.292 131.393 7.291 32215520 A16HB-F22QCD-QD 1.582 131.434 7.291 1195478 F22QB-QCD-QD 3.039 131.435 7.294 1763294 F22HA-QCD-QD 5.189 131.450 7.293 909338 E23H-F22QCD-QD 9.053 131.450 7.296 324599 I34HG2-F22QCD-QD 0.887 131.453 7.292 1352272 F81QE-QCE-QE 7.371 131.467 7.368 21419338 A79HB-F81QCE-QE 1.303 131.472 7.369 914967 L88HB3-F22QCD-QD 1.331 131.488 7.293 444420 F81QD-QCE-QE 7.546 131.531 7.370 4129677 Q41QB-F81QCE-QE 2.380 131.541 7.362 392533 I34H-F33QCD-QD 8.653 132.187 5.986 529807 F33HZ/Y85QE-QCD/F33QCD-QD/F33QD 6.533 132.240 5.985 1057692 F33HB3-QCD-QD 1.467 132.251 5.986 1322543 F33QD-QCD-QD 5.988 132.263 5.986 16549430 F33HB2-QCD-QD 1.847 132.267 5.987 2285000 F33QE-QCD-QD 5.584 132.272 5.984 1928826 F33H/Y85QD-QCD/F33QCD-QD/F33QD 7.244 132.320 5.990 583725 W49HB3-F50QCD-QD 2.770 132.357 7.281 576378 F50QD-QCD-QD 7.285 132.361 7.287 26917444 F81QE-QCD-QD 7.371 132.377 7.550 5071262 A79HB-F81QCD-QD 1.322 132.424 7.559 429531 F81QD-QCD-QD 7.550 132.425 7.550 23785390 F81HB3-QCD-QD 2.700 132.443 7.550 895512 P82HD2-F81QCD-QD 4.101 132.455 7.553 598688 F81HA-QCD-QD 5.171 132.456 7.550 480955 F81H/S75H-QCD/F81QCD-QD/F81QD 8.740 132.462 7.553 501738 T45HG2-F50QCD-QD 1.488 132.465 7.282 1110798 S37HA-F81QCD-QD 5.273 132.467 7.550 469718 L56HD2-F50QCD-QD 0.654 132.474 7.287 2121838 I7HG2-F50QCD-QD -0.159 132.475 7.290 711490 F81HB2-QCD-QD 3.193 132.480 7.551 996465 L56HD1-F50QCD-QD 0.875 132.491 7.287 1423372 Q53QG-F50QCD-QD 2.298 132.492 7.289 611719 L113HD2-Y5QCD-QD 0.123 132.525 6.854 589128 F50HB3/W49HB2-QCD/F50QCD-QD/F50QD 2.932 132.531 7.284 2368376 F50H-QCD-QD 7.748 132.545 7.284 771513 F50HA-QCD-QD 4.930 132.546 7.288 1133120 F50HB2-QCD-QD 3.678 132.555 7.288 1556756 A46HA-F50QCD-QD 4.275 132.557 7.286 2629565 G39HA2-Y5QCD-QD 4.260 132.579 6.848 476295 Y5HA-QCD-QD 5.777 132.581 6.851 1099367 L58HD2-Y5QCD-QD 0.591 132.609 6.852 1535275 L58HG-Y5QCD-QD 1.287 132.612 6.850 1740199 K6H-Y5QCD-QD 8.876 132.612 6.850 525083 Y5HB3-QCD-QD 2.414 132.615 6.851 1912936 Y5H-QCD-QD 9.052 132.616 6.855 1452011 Y5HB2-QCD-QD 2.823 132.616 6.852 1920935 L58HD1-Y5QCD-QD 0.755 132.618 6.852 1967526 Y5QE-QCD-QD 6.585 132.619 6.852 4442798 Y5QD-QCD-QD 6.851 132.625 6.851 22269114 G39HA3-Y5QCD-QD 3.724 132.628 6.852 884591 A60HA/I4HA-Y5QCD/Y5QCD-QD/Y5QD 4.755 132.630 6.852 2160488 I4HB-Y5QCD-QD 1.637 132.636 6.854 500765 A38HA-Y5QCD-QD 4.971 132.645 6.849 405066 W49H-F50QCD-QD 7.993 132.649 7.279 386869 A60HB-Y5QCD-QD 1.201 132.654 6.852 1176143 Y85HB3-QCD-QD 2.884 133.015 7.212 875223 Y85QD-QCD-QD 7.213 133.053 7.213 11087989 Y85HB2-QCD-QD 3.576 133.072 7.212 1013274 Y85QE-QCD-QD 6.526 133.094 7.213 1592669 Y85H-QCD-QD 9.073 133.113 7.217 807354 ?-?-? 1.277 133.157 7.212 712886 ?-?-? 7.081 133.180 7.081 2725186 ?-?-? 6.543 135.998 8.361 487078 ?-?-? 1.619 136.044 8.361 985352 ?-?-? 2.044 136.088 8.363 631615 ?-?-? 8.365 136.110 8.360 19668816 H112HE1-CE1-HE1 7.837 139.503 7.836 48472360 ?-?-? 0.863 139.507 7.835 3151410 ; 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 'all H's' . 9199.632 . . . 15281 2 2 C 1 'aromatic C's' . 6038.647 . . . 15281 2 3 H 1 'aromatic H's' . 11160.714 . . . 15281 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 3 $SPARKY . . 15281 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 15281 _Spectral_peak_list.ID 3 _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 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details ; N15 NOESY peak list from 3D 15N-NOESY in H2O, Bruker 800 This peak list is the final N15 NOESY peak list used for AutoStructure calculations and RPF analysis. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note R21HG3-NE-HE 1.215 84.024 7.612 181848 R21HG2-NE-HE 1.482 84.096 7.607 174657 R21HE-NE-HE 7.607 84.105 7.608 4720846 R21HD2-NE-HE 3.052 84.111 7.615 128361 R21HD3-NE-HE 2.891 84.143 7.610 328080 R95QD-NE-HE 3.196 84.510 7.411 541356 P65HA-G67N-H 4.434 104.337 7.740 135417 L66HB2/L66HG-G67N/G67N-H/G67H 2.018 104.337 7.739 267923 G67H-N-H 7.737 104.347 7.738 6526336 L66H-G67N-H 7.411 104.347 7.737 828539 G67HA3-N-H 3.904 104.353 7.738 1046790 E68H-G67N-H 8.907 104.356 7.740 177282 L66HA/G67HA2-G67N/G67N-H/G67H 4.004 104.363 7.736 915592 D31HA-G32N-H 4.416 106.828 7.911 180284 A30HB-G32N-H 1.362 106.857 7.913 107574 D31H-G32N-H 7.688 106.872 7.912 699160 G32H-N-H 7.913 106.874 7.912 5115008 G32HA3-N-H 3.591 106.874 7.912 809215 L29HA-G32N-H 3.758 106.878 7.909 193916 F33H-G32N-H 7.236 106.880 7.912 868802 G32HA2-N-H 4.077 106.888 7.913 532422 D31QB-G32N-H 1.849 106.901 7.912 246203 A30H-G32N-H 7.468 106.917 7.913 132765 D104HB2-G105N-H 2.815 107.766 8.200 90819 D104HB3-G105N-H 2.656 107.794 8.196 122343 V106HG2-G105N-H 0.893 107.808 8.197 104637 G105HA2-N-H 4.292 107.813 8.199 515743 G105H-N-H 8.201 107.817 8.199 5168705 A103H-G105N-H 8.385 107.817 8.196 166680 V106H-G105N-H 8.890 107.819 8.198 755810 D104H-G105N-H 8.028 107.820 8.198 1154392 A103HA-G105N-H 4.095 107.820 8.196 142844 G105HA3-N-H 3.665 107.828 8.199 783339 L101HD1-G105N-H 0.686 107.833 8.197 123443 L101HB3-G105N-H 1.138 107.881 8.197 110628 Q19QB-G20N-H 2.247 108.270 8.280 276070 A18HB-G20N-H 1.464 108.283 8.279 113635 V90HG2-G20N-H 0.709 108.291 8.278 248973 Q19H-G20N-H 7.440 108.292 8.279 1130047 R21H-G20N-H 7.789 108.296 8.278 772964 G20H-N-H 8.279 108.297 8.278 5544686 G20HA2-N-H 4.467 108.302 8.279 639432 G20HA3-N-H 3.635 108.303 8.278 804379 K17HA-G20N-H 3.460 108.328 8.280 177833 G110HA3-N-H 3.546 109.589 8.820 723726 L109HA-G110N-H 4.328 109.590 8.821 190913 L109HB3-G110N-H 1.504 109.600 8.818 251715 L109H/G110H-G110N/G110N-H/G110H 8.822 109.602 8.820 6043427 D111H-G110N-H 8.666 109.602 8.820 189512 G110HA2-N-H 3.945 109.605 8.820 1046871 Q108HA-G110N-H 4.489 109.607 8.820 201267 H112H-G110N-H 7.486 109.671 8.819 85953 A79HB-Q41NE2-HE21 1.292 110.319 6.996 199438 Q41HG3-NE2-HE21 2.202 110.325 6.998 221042 Q41HG3-NE2-HE22 2.191 110.334 6.276 129326 Q41HE21-NE2-HE21 6.999 110.338 6.999 3921426 Q41HE22-NE2-HE22 6.278 110.342 6.276 4811826 F81HA-Q41NE2-HE22 5.156 110.344 6.278 168840 unassigned by AS A79HB-G78N-H 1.334 110.345 8.043 138445 Q41HG2-NE2-HE21 2.425 110.356 7.000 363384 Q41HG2-NE2-HE22 2.416 110.368 6.277 198157 A79HB-Q41NE2-HE22 1.300 110.371 6.272 173390 A79H-G78N-H 7.869 110.373 8.045 330898 Q41HE22-NE2-HE21 6.277 110.379 6.998 2672811 Q41HE21-NE2-HE22 6.998 110.380 6.276 2926889 ?-?-? 4.599 110.382 8.045 294227 G78H-N-H 8.045 110.385 8.043 6581692 G78HA2-N-H 4.380 110.387 8.042 564899 G78HA3-N-H 3.794 110.388 8.042 750112 ?-?-? 3.096 110.413 8.044 108962 F81HA-Q41NE2-HE21 5.153 110.453 6.993 93610 unassigned by AS Q19HG2-NE2-HE22 2.673 111.012 6.964 78757 Q19HE21-NE2-HE22 7.407 111.073 6.961 6262822 Q19HE22-NE2-HE21 6.959 111.075 7.408 6297344 A15HB-Q19NE2-HE22 1.529 111.085 6.958 100396 Q19HE22-NE2-HE22 6.960 111.093 6.961 27053852 Q19HE21-NE2-HE21 7.407 111.098 7.407 23483026 Q19HG2-NE2-HE21 2.671 111.099 7.409 315248 A15HB-Q19NE2-HE21 1.504 111.111 7.409 192388 Q19HG3-NE2-HE21 2.507 111.117 7.408 443584 A16HA-Q19NE2-HE21 4.340 111.123 7.407 206034 Q19HG3-NE2-HE22 2.502 111.152 6.960 152409 G39HA2-N-H 4.243 111.904 10.163 610233 Y5QE-G39N-H 6.569 111.905 10.162 198309 Y5QD-G39N-H 6.843 111.911 10.162 119370 A38HB-G39N-H 1.778 111.914 10.162 487427 E40H-G39N-H 9.378 111.918 10.162 200308 G39HA3-N-H 3.717 111.919 10.162 389219 A38HA-G39N-H 4.966 111.920 10.163 663868 G39H-N-H 10.162 111.923 10.162 3583372 ?-?-? 0.917 111.938 10.163 86321 V90HG2-S91N-H 0.703 112.428 8.144 278700 R21HA-S91N-H 5.110 112.431 8.138 86046 S91HA-N-H 4.267 112.434 8.141 539964 L89QB-S91N-H 1.696 112.438 8.143 778012 V90HB-S91N-H 1.938 112.450 8.142 455106 V90HG1-S91N-H 0.877 112.457 8.142 498957 S91H-N-H 8.146 112.461 8.142 6719478 V90HA/S91HB3-S91N/S91N-H/S91H 3.811 112.461 8.143 658684 V90H-S91N-H 7.638 112.467 8.142 850485 S91HB2-N-H 4.074 112.475 8.141 325381 L89HA-S91N-H 4.549 112.479 8.140 132207 Q53HE22-NE2-HE22 6.648 112.646 6.648 13779273 Q53QG-NE2-HE21 2.312 112.651 7.896 1091426 Q53HE21-NE2-HE21 7.896 112.654 7.896 11267939 F50HA-Q53NE2-HE22 4.927 112.658 6.647 327331 Q53QG-NE2-HE22 2.311 112.663 6.648 514498 F50HA-Q53NE2-HE21 4.932 112.663 7.897 452362 F50QD-Q53NE2-HE22 7.270 112.671 6.647 208460 Q53HE21-NE2-HE22 7.897 112.676 6.647 6356816 Q53HE22-NE2-HE21 6.647 112.681 7.896 5770328 F50QD-Q53NE2-HE21 7.289 112.736 7.894 120004 L36HA-S37N-H 5.189 112.803 9.127 606575 S37H-N-H 9.123 112.808 9.127 3353517 S37HA-N-H 5.268 112.808 9.126 313973 S37HB3-N-H 3.633 112.811 9.126 247504 L36HB2-S37N-H 1.629 112.811 9.127 669488 L36HD2-S37N-H 0.681 112.828 9.126 210868 P82HG2-S37N-H 1.840 112.852 9.128 118851 S37HB2-N-H 3.963 112.865 9.125 148246 K17HA-Q19N-H 3.460 113.533 7.439 125283 A18HA-Q19N-H 4.111 113.541 7.441 327272 A18H-Q19N-H 7.289 113.558 7.440 888938 Q19HG2-N-H 2.669 113.558 7.440 560198 G20HA3-Q19N-H 3.628 113.559 7.438 156322 Q19HG3-N-H 2.500 113.560 7.438 295217 Q19QB-N-H 2.254 113.571 7.440 1143012 G20H-Q19N-H 8.282 113.577 7.440 1547862 A18HB-Q19N-H 1.463 113.578 7.440 871229 A16HA-Q19N-H 4.334 113.579 7.439 251987 R21H-Q19N-H 7.784 113.596 7.441 243313 Q19HA-N-H 4.527 113.661 7.440 710996 Q19H-N-H 7.440 113.683 7.440 9603088 L56HD2-N55N-H 0.689 113.754 8.912 145423 A54H-N55N-H 8.208 113.795 8.913 203131 L56H-N55N-H 8.547 113.808 8.915 560332 N55HA-N-H 4.591 113.808 8.914 1793273 A54HB-N55N-H 1.423 113.808 8.914 1088076 N55HB3-N-H 2.986 113.814 8.914 395476 A54HA-N55N-H 4.337 113.815 8.914 1465705 N55H-N-H 8.915 113.816 8.914 8003815 ?-?-? 2.010 114.064 8.638 162317 L84 HB2....but too weak in C13 I34HA-N-H 3.810 114.071 8.636 170897 Y85HA-I34N-H 4.490 114.081 8.634 116595 I34HG13-N-H 0.569 114.082 8.633 149920 L84H-I34N-H 9.070 114.086 8.635 218182 F33HB3-I34N-H 1.442 114.088 8.633 293703 F33HB2/I34HB-I34N/I34N-H/I34H 1.856 114.104 8.634 638838 I34HG12-N-H 1.623 114.104 8.636 327396 I34HD1-N-H 0.837 114.108 8.634 266092 I34H-N-H 8.634 114.118 8.633 2711284 F33HA-I34N-H 4.213 114.123 8.635 556580 F33QD-I34N-H 5.978 114.189 8.635 102860 R51HB2-G52N-H 2.027 114.233 10.272 82326 L101HD2-G52N-H 0.660 114.233 10.273 274171 corrected assignment!! G52H-N-H 10.276 114.240 10.274 3025410 R51HA/G52HA2-G52N/G52N-H/G52H 4.184 114.243 10.275 1417743 N55HB3-ND2-HD21 2.969 114.244 7.784 763252 R51QG-G52N-H 1.526 114.250 10.273 298492 Q53H-G52N-H 7.596 114.253 10.276 332197 L101HD1-G52N-H 0.709 114.257 10.273 272696 corrected assignment!! G52HA3-N-H 3.732 114.261 10.275 591627 R51HB3-G52N-H 1.769 114.265 10.276 129059 A54HB-N55ND2-HD22 1.422 114.298 7.041 326205 Y85HA-R86N-H 4.507 114.308 7.431 550661 N55HB2-ND2-HD21 3.034 114.312 7.782 914592 N55HD21-ND2-HD21 7.784 114.321 7.784 13607070 A54HB-N55ND2-HD21 1.427 114.323 7.784 302904 N55HD22-ND2-HD22 7.040 114.327 7.041 15751228 R86HG2-N-H 1.414 114.340 7.431 345019 N55HD21-ND2-HD22 7.785 114.345 7.041 7231829 N55HD22-ND2-HD21 7.039 114.345 7.784 6779420 N55HB2-ND2-HD22 3.000 114.354 7.041 432530 Y5HA-N-H 5.770 114.357 9.053 168631 I4HD1-Y5N-H 0.562 114.374 9.049 105101 I4HG2-Y5N-H 0.918 114.382 9.051 202435 L36HD2-Y5N-H 0.676 114.393 9.048 131261 R51QD-G52N-H 3.207 114.401 10.273 84468 I4HB-Y5N-H 1.662 114.401 9.052 600634 R86HA-N-H 4.674 114.411 7.429 439260 Y5QD-N-H 6.843 114.413 9.052 388819 I4HA-Y5N-H 4.749 114.414 9.052 555998 Y5H-N-H 9.055 114.418 9.052 3052505 N55HA-ND2-HD21 4.584 114.419 7.780 144759 Y5HB3-N-H 2.401 114.420 9.051 313184 Y85H-R86N-H 9.064 114.424 7.431 278375 I4QG1-Y5N-H 1.110 114.437 9.048 131323 T45HA-W49N-H 4.126 114.437 7.981 103555 R86HG3-N-H 1.218 114.438 7.429 280341 Y5HB2-N-H 2.819 114.444 9.048 159874 K48HG2-W49N-H 0.859 114.475 7.982 88289 L84HG-R86N-H 1.947 114.489 7.428 1480397 K48HA-W49N-H 3.919 114.495 7.982 222780 W49HB3-N-H 2.755 114.502 7.982 354873 R86H-N-H 7.427 114.504 7.429 10471860 K48HB2-W49N-H 1.523 114.505 7.982 439734 W49HB2-N-H 2.917 114.509 7.982 618782 W49H-N-H 7.984 114.513 7.982 5553711 F50QD-W49N-H 7.274 114.513 7.982 240451 W49HD1-N-H 7.373 114.516 7.982 347984 L84HD2-R86N-H 0.793 114.517 7.429 728458 K48HB3-W49N-H 1.098 114.517 7.981 447529 W49HA-N-H 4.817 114.519 7.983 340939 L84HA-R86N-H 5.161 114.522 7.428 92585 F50H-W49N-H 7.740 114.523 7.981 966531 A46HA-W49N-H 4.270 114.564 7.980 83944 L66HD1-N-H 0.891 114.893 7.416 423952 L66HD2-N-H 0.762 114.893 7.416 487494 L66HB3-N-H 1.339 114.894 7.414 300967 V106HB-Q108NE2-HE21 2.298 114.913 7.178 418525 V106HB-Q108NE2-HE22 2.304 114.913 6.991 244971 Q108HB3-NE2-HE21 2.083 114.917 7.178 127178 V106HG1-Q108NE2-HE21 0.846 114.920 7.178 413765 Q108HE22-NE2-HE22 6.987 114.922 6.989 14658697 L66HB2/L66HG-N/L66N-H/L66H 2.026 114.922 7.414 1502137 Q108QG-NE2-HE21 2.425 114.926 7.179 1225241 Q108HE21-NE2-HE21 7.181 114.932 7.179 12285245 D102H-Q108NE2-HE21 8.039 114.939 7.179 193737 G67H-L66N-H 7.737 114.940 7.412 702566 Q108QG-NE2-HE22 2.422 114.941 6.990 464946 Q108HE21-NE2-HE22 7.180 114.942 6.989 5593748 Q108HE22-NE2-HE21 6.986 114.942 7.178 5241287 P65HD3-L66N-H 3.464 114.948 7.409 147048 L66HA-N-H 4.004 114.950 7.413 520722 Q108HA-NE2-HE21 4.488 114.953 7.178 146324 V106HG1-Q108NE2-HE22 0.848 114.958 6.988 389976 P65HD2-L66N-H 3.832 114.959 7.406 103001 V106H-Q108NE2-HE21 8.869 114.972 7.179 129003 caution....no symm. peak L66H-N-H 7.421 115.030 7.411 6566562 P65HA-L66N-H 4.450 115.030 7.414 141437 K48HB3-N-H 1.095 115.273 8.093 774482 A47HB/K48HB2-K48N/K48N-H/K48H 1.524 115.306 8.094 1921318 D31H-F33N-H 7.690 115.315 7.239 167157 D28HA-F33N-H 4.498 115.325 7.236 248927 F33HB3-N-H 1.438 115.325 7.236 118170 F33H-N-H 7.235 115.341 7.235 9975240 G32H-F33N-H 7.914 115.345 7.236 1400910 G32HA3-F33N-H 3.589 115.345 7.236 386658 A47HA/K48HA-K48N/K48N-H/K48H 3.926 115.348 8.095 910882 F33HB2/D31QB-N/F33N-H/F33H 1.842 115.351 7.235 481367 G32HA2-F33N-H 4.093 115.358 7.236 228099 A47H/K48H-K48N/K48N-H/K48H 8.096 115.370 8.095 10882573 I34H-F33N-H 8.642 115.371 7.235 131663 F33HA-N-H 4.213 115.373 7.237 508296 F33QD-N-H 5.967 115.389 7.236 183183 E12H-S9N-H 7.956 115.443 8.543 82292 R10H-S9N-H 9.063 115.460 8.541 118115 L3HB3-I4N-H 0.802 115.512 8.896 221566 L8HB3-S9N-H 1.303 115.526 8.545 321198 S9H-N-H 8.547 115.529 8.545 5546905 L8HA/S9HA-S9N/S9N-H/S9H 4.748 115.530 8.545 1216724 S9HB3-N-H 4.145 115.533 8.545 488969 L8HB2-S9N-H 1.733 115.538 8.545 691443 E12HB2-S9N-H 2.445 115.546 8.545 333835 ?-?-? 7.274 115.548 8.545 92097 L8HD1-S9N-H 0.137 115.559 8.547 172196 E12HB3-S9N-H 2.154 115.571 8.546 129319 S9HB2-N-H 4.504 115.572 8.546 274305 L56HD2-S9N-H 0.659 115.574 8.543 110421 K48HG2-N-H 0.855 115.593 8.097 572789 I4QG1-N-H 1.105 115.644 8.901 632668 I4H-N-H 8.903 115.649 8.902 3450208 L3HD2-I4N-H 0.597 115.649 8.902 359190 I4HA-N-H 4.748 115.649 8.902 243207 E62HA-I4N-H 4.556 115.649 8.905 128678 L3HA-I4N-H 4.877 115.651 8.903 937192 A63H-I4N-H 9.198 115.658 8.896 88009 I4HG2-N-H 0.886 115.668 8.898 276631 I4HB-N-H 1.651 115.681 8.900 250817 L109HD1-Q43NE2-HE21 0.577 115.739 6.798 114726 A42HB-Q41N-H 1.143 115.750 7.508 133414 S37HB2-Q41N-H 3.930 115.757 7.503 104430 E40HA-Q41N-H 4.235 115.765 7.506 182899 Q41QB/E40QG-N/Q41N-H/Q41H 2.342 115.765 7.505 700138 A38HB-Q41N-H 1.778 115.767 7.505 186454 E40H-Q41N-H 9.371 115.778 7.507 339482 Q41HA-N-H 4.754 115.784 7.506 249199 Q41H/A42H-N/Q41N-H/Q41H 7.506 115.787 7.504 4889124 L109HD1-Q43NE2-HE22 0.561 115.798 8.101 196757 Q41HG3-N-H 2.187 115.837 7.508 289342 Q43HE21-NE2-HE21 6.796 115.865 6.796 3396881 Q43HG3-NE2-HE21 2.336 115.880 6.797 581304 Q108HA-Q43NE2-HE21 4.494 115.900 6.796 98605 V106HG1-Q43NE2-HE21 0.844 115.901 6.796 476897 A46HB-Q43NE2-HE21 1.430 115.913 6.797 279377 unassigned by AS V106HG1-Q43NE2-HE22 0.846 115.913 8.101 491666 Q108HA-Q43NE2-HE22 4.494 115.914 8.106 182551 Q43HE22-NE2-HE21 8.104 115.919 6.796 2607313 Q43HE21-NE2-HE22 6.796 115.922 8.103 2335035 Q43HA-NE2-HE21 3.935 115.936 6.796 211860 Q43HG3-NE2-HE22 2.339 115.944 8.101 322210 L109H-Q43NE2-HE22 8.868 115.945 8.106 203258 L109HB3-Q43NE2-HE21 1.508 115.973 6.798 255364 Q43HE22-NE2-HE22 8.101 115.973 8.102 4402040 E68QG-D69N-H 2.319 116.355 7.636 185873 E68HA-D69N-H 4.209 116.399 7.633 290779 E68HB2-D69N-H 2.135 116.405 7.633 182465 D69HB3-N-H 2.573 116.417 7.633 1138782 E68H-D69N-H 8.894 116.419 7.633 651299 D69H-N-H 7.634 116.423 7.633 9695163 L70H-D69N-H 7.433 116.423 7.633 1148892 D69HA-N-H 4.580 116.425 7.634 562719 E68HB3-D69N-H 1.973 116.431 7.635 199039 G67HA2-D69N-H 4.005 116.445 7.633 202829 D111HB2-H112N-H 2.330 116.446 7.467 95909 A47HA-F50N-H 3.934 116.450 7.740 153175 W49HA-F50N-H 4.812 116.450 7.745 195731 L66HD1-D69N-H 0.936 116.451 7.633 80601 L84HD2-D69N-H 0.780 116.452 7.634 142075 G105HA3-D104N-H 3.661 116.471 8.029 124841 D104HB2-N-H 2.829 116.477 8.032 500186 D104HB3-N-H 2.663 116.488 8.032 1058909 A103H-D104N-H 8.397 116.493 8.030 604401 D104HA-N-H 4.802 116.496 8.031 554368 G105H-D104N-H 8.205 116.504 8.032 1523078 V106HG2-D104N-H 0.884 116.504 8.036 150074 A46HA-F50N-H 4.252 116.507 7.744 224034 R51H-F50N-H 7.392 116.512 7.743 1045579 F50HA-N-H 4.924 116.513 7.744 295164 D104H-N-H 8.033 116.513 8.032 9378235 V106H-D104N-H 8.888 116.514 8.031 361824 W49H-F50N-H 7.986 116.516 7.742 998779 W49HB2/F50HB3-F50N/F50N-H/F50H 2.918 116.516 7.742 615761 A103HA-D104N-H 4.085 116.528 8.030 291961 F50H-N-H 7.743 116.531 7.744 6120902 F50QD-N-H 7.289 116.531 7.741 469502 R51HB3-F50N-H 1.740 116.531 7.737 101122 T45HG2-F50N-H 1.504 116.531 7.744 112614 D102HA-D104N-H 4.606 116.532 8.033 145381 R51HB2-F50N-H 2.029 116.543 7.737 98413 F50HB2-N-H 3.670 116.552 7.739 245452 L109HD1-H112N-H 0.592 116.568 7.467 109162 D102HB2-D104N-H 3.331 116.581 8.037 141483 D111HB3-H112N-H 1.940 116.581 7.467 144537 ?-?-? 1.415 116.588 7.464 120341 ?-?-? 0.863 116.601 7.741 92495 A103HB-D104N-H 1.418 116.615 8.038 606921 H112HD2-N-H 6.841 116.617 7.468 208297 H112HB2-N-H 2.950 116.632 7.469 265477 G105HA2-D104N-H 4.276 116.633 8.032 94675 H112H-N-H 7.471 116.636 7.467 5431628 D111H-H112N-H 8.686 116.640 7.468 472266 H112HB3-N-H 2.637 116.643 7.468 476713 D111HA/L109HA-H112N/H112N-H/H112H 4.315 116.653 7.466 234411 H112HA-N-H 4.470 116.674 7.465 348476 L109HB3/L113HG-H112N/H112N-H/H112H 1.484 116.726 7.459 128799 G20HA2-R21N-H 4.464 116.748 7.793 313680 G20HA3-R21N-H 3.639 116.754 7.791 286934 R21H-N-H 7.790 116.770 7.791 11418268 V90HG2-R21N-H 0.706 116.770 7.793 357704 Q19H-R21N-H 7.423 116.770 7.789 382383 R21HG2-N-H 1.486 116.776 7.791 539224 A16HA-R21N-H 4.365 116.780 7.793 260233 G20H-R21N-H 8.280 116.783 7.791 1135979 Q19QB-R21N-H 2.256 116.786 7.791 625602 ?-?-? 0.878 116.786 7.796 127462 R21HD2-N-H 3.046 116.787 7.792 128448 Q19HG3-R21N-H 2.510 116.789 7.792 452474 Q19HG2-R21N-H 2.675 116.792 7.794 161742 R21HG3-N-H 1.215 116.795 7.791 189241 R21HA-N-H 5.114 116.796 7.793 447780 R21HB2-N-H 1.971 116.800 7.793 232779 F22H-R21N-H 9.829 116.810 7.792 121784 F33H-D31N-H 7.233 117.086 7.690 134483 A47H/K48H-N/A47N-H/A47H 8.072 117.095 8.068 9938799 A46HB-A47N-H 1.426 117.095 8.068 1166208 E44HA-A47N-H 4.207 117.100 8.068 418514 A46H/T45H-A47N/A47N-H/A47H 8.272 117.108 8.067 774738 A47HB-N-H 1.510 117.113 8.069 1992212 A47HA/Q43HA-N/A47N-H/A47H 3.941 117.114 8.069 685165 G39HA3-E40N-H 3.721 117.117 9.371 183836 V106HG1-A47N-H 0.849 117.121 8.070 224829 unassigned by AS A30H-D31N-H 7.460 117.137 7.686 827280 G39H-E40N-H 10.164 117.140 9.370 328989 Q41H/A42H-E40N/E40N-H/E40H 7.506 117.150 9.372 545803 D31H-N-H 7.687 117.151 7.687 6037270 G39HA2/E40HA-E40N/E40N-H/E40H 4.235 117.152 9.371 769581 V27HA-D31N-H 3.586 117.157 7.686 171352 E40H-N-H 9.373 117.160 9.370 6039688 E40QB-N-H 2.109 117.160 9.371 960486 G32H-D31N-H 7.912 117.162 7.686 750867 D31HA-N-H 4.414 117.163 7.686 431897 A30HB-D31N-H 1.355 117.165 7.686 895573 E40QG-N-H 2.343 117.165 9.371 578534 A38HB-E40N-H 1.777 117.167 9.371 368155 D31QB-N-H 1.846 117.169 7.686 942600 A30HA-D31N-H 3.996 117.179 7.686 232652 ?-?-? 0.612 117.186 8.072 104818 L56HD2-N-H 0.660 117.348 8.549 300089 L56HB2-N-H 1.842 117.352 8.548 548634 L56H-N-H 8.550 117.353 8.549 5874304 L56HA-N-H 4.671 117.353 8.547 529298 N55HA-L56N-H 4.604 117.376 8.548 802100 A54HA-L56N-H 4.331 117.380 8.549 164955 L56HD1-N-H 0.870 117.381 8.547 332710 L56HB3-N-H 0.950 117.381 8.546 386965 N55HB3-L56N-H 2.986 117.388 8.545 108103 L56HG-N-H 1.535 117.391 8.549 791728 N55H-L56N-H 8.915 117.395 8.547 548914 T45H/A46H-N/T45N-H/T45H 8.301 117.492 8.295 7684616 D14HA-K17N-H 4.073 117.492 8.322 325596 K17HB3-N-H 1.358 117.544 8.325 1070217 A16HA-K17N-H 4.327 117.555 8.324 212443 K17HA-N-H 3.457 117.557 8.326 568381 A16HB-K17N-H 1.569 117.568 8.324 798679 K17HG3-N-H 0.222 117.569 8.325 797456 A16H-K17N-H 7.951 117.571 8.325 742845 K17HG2-N-H 0.426 117.587 8.326 375894 A18H-K17N-H 7.300 117.591 8.325 700502 K17H-N-H 8.313 117.596 8.317 9409100 T45HG2-N-H 1.495 117.629 8.303 426810 E44H-T45N-H 8.620 117.659 8.297 668960 T45HB-N-H 4.501 117.659 8.297 834680 T45HA-N-H 4.125 117.661 8.301 517793 E44QB-T45N-H 2.137 117.671 8.297 652569 E44QG/K17HE3/Q41QB-T45N/K17N/T45N-H/K17H/T45H 2.334 117.696 8.296 226121 A42HA-T45N-H 3.933 117.707 8.295 230739 S25QB-V27N-H 4.315 117.764 7.931 232108 A26HA-V27N-H 3.965 117.768 7.932 220583 A26H-V27N-H 9.108 117.773 7.932 432301 V27HG2-N-H 0.660 117.774 7.932 1033020 V27HG1-N-H 0.416 117.779 7.933 444705 D28H-V27N-H 6.931 117.782 7.932 803004 V27HA-N-H 3.589 117.783 7.932 620504 V27HB-N-H 1.581 117.788 7.932 1322783 A26HB-V27N-H 1.427 117.805 7.933 963000 V27H-N-H 7.934 117.806 7.934 8948638 A74HA-S75N-H 4.734 117.813 8.771 1357590 S75H-N-H 8.771 117.815 8.772 4738113 S75HA-N-H 4.841 117.815 8.772 1025257 S75HB3-N-H 4.113 117.837 8.774 316550 A74HB-S75N-H 1.365 117.841 8.772 558768 S75HB2-N-H 4.271 117.851 8.773 225096 E12H-N-H 7.967 118.302 7.965 6937739 W13H-E12N-H 8.591 118.319 7.967 818780 A11H-E12N-H 8.766 118.320 7.967 574371 A11HB-E12N-H 1.487 118.324 7.965 873487 E12HB2/E12HG3-N/E12N-H/E12H 2.446 118.336 7.967 1404009 E12HA/S9HB3-N/E12N-H/E12H 4.179 118.345 7.967 616221 E12HB3-N-H 2.165 118.359 7.969 365139 L8HD1-E12N-H 0.130 118.380 7.968 109844 ?-?-? 1.524 118.506 7.241 156813 D100HB3-L101N-H 2.585 118.602 8.535 282617 L101HB3-N-H 1.136 118.615 8.534 287991 D100HB2-L101N-H 2.703 118.618 8.533 557303 D100HA-L101N-H 4.938 118.626 8.533 1345026 L101HA-N-H 4.634 118.629 8.534 303035 L101HG-N-H 1.650 118.630 8.533 826048 L101HD1/L101HD2-N/L101N-H/L101H 0.677 118.639 8.533 417307 L101H-N-H 8.536 118.644 8.533 7093531 L101HB2-N-H 1.807 118.647 8.533 609141 D28HB3-L29N-H 2.651 118.702 8.313 220122 T94H-R95N-H 8.998 118.705 7.512 822431 D28HB2-L29N-H 2.909 118.708 8.313 345287 A26HA-L29N-H 3.969 118.714 8.312 205282 A60HB-R95N-H 1.220 118.718 7.509 600422 R95HA-N-H 4.651 118.719 7.509 409512 V93HG1-R95N-H 0.819 118.734 7.509 923532 R95QB-N-H 1.760 118.741 7.509 404910 D28H-L29N-H 6.931 118.742 8.314 525107 L29HD2-N-H 0.590 118.745 8.315 465839 L29HA-N-H 3.759 118.747 8.314 400831 T94HB-R95N-H 3.974 118.749 7.510 426914 A60H-R95N-H 8.331 118.750 7.510 357119 L29HB2-N-H 1.588 118.754 8.314 676642 L29HG-N-H 1.374 118.755 8.314 962580 A42H/Q41H-Q43N/Q43N-H/Q43H 7.511 118.758 9.214 355669 A30H-L29N-H 7.462 118.759 8.313 509270 E96H-R95N-H 8.538 118.761 7.505 135138 A42HA/Q43HA-Q43N/Q43N-H/Q43H 3.931 118.765 9.214 481576 Q43HB3-N-H 2.008 118.772 9.214 776870 E44H-Q43N-H 8.618 118.773 9.213 500733 L29H-N-H 8.315 118.779 8.314 4487984 Q43H-N-H 9.214 118.782 9.214 5019590 Q43HG3-N-H 2.345 118.791 9.218 198409 T94HA/V61HA-R95N/R95N-H/R95H 4.229 118.791 7.511 275108 A42HB-Q43N-H 1.140 118.798 9.215 418216 L113HD1-Q43N-H 0.689 118.799 9.218 167681 unassigned by AS R95H/L113H/H112H-N/L113N/L113N-H/L113H/L113H 7.509 118.831 7.511 9116297 L109HD2-Q43N-H 0.539 118.836 9.215 143846 V27H-L29N-H 7.931 118.896 8.315 100808 ?-?-? 8.149 118.907 8.145 1105759 ?-?-? 3.027 118.914 8.150 200268 ?-?-? 4.593 118.933 8.152 186841 A114H-L113N-H 7.655 118.937 7.525 261483 L113HD1-N-H 0.669 119.081 7.528 196465 L113HD2-N-H 0.100 119.085 7.530 135372 L113HG-N-H 1.495 119.086 7.526 617460 L113HA-N-H 4.154 119.107 7.524 250573 H112HB3-L113N-H 2.637 119.112 7.534 157363 F50HA-R51N-H 4.907 119.149 7.399 526874 ?-?-? 4.139 119.167 8.151 322348 F50HB3-R51N-H 2.918 119.203 7.392 88363 R51HB2-N-H 2.031 119.234 7.396 945690 A79HB-R80N-H 1.304 119.239 8.387 636490 G52H-R51N-H 10.274 119.242 7.397 110604 F50H-R51N-H 7.743 119.246 7.396 955421 R51HA-N-H 4.191 119.250 7.396 501796 R51HB3/R95QB-N/R95NE-H/R95HE 1.763 119.259 7.396 922240 A79HA-R80N-H 4.351 119.261 8.388 1263449 R51H/R95HE-N/R95NE-H/R95HE 7.397 119.273 7.398 9437986 ?-?-? 0.856 119.279 7.402 160627 R80HB2-N-H 1.735 119.281 8.388 542538 R80HB3-N-H 1.519 119.294 8.390 190222 R95HG3/R51QG-NE/R51N-HE/R51H 1.519 119.307 7.399 377256 R80H-N-H 8.389 119.343 8.388 6036999 R80HA-N-H 4.619 119.416 8.388 320545 D111HA-N-H 4.307 119.546 8.686 424291 D111HB2-N-H 2.326 119.550 8.685 270937 D111H-N-H 8.684 119.560 8.685 5014662 G110HA2-D111N-H 3.946 119.563 8.687 298903 D111HB3-N-H 1.941 119.566 8.686 540114 L115HB2-E116N-H 1.641 119.575 8.096 162231 G110HA3-D111N-H 3.550 119.576 8.685 164738 H112H-D111N-H 7.475 119.577 8.685 560191 L109H-D111N-H 8.848 119.595 8.689 186660 L115H-N-H 7.768 119.598 7.769 5971920 A114HA-L115N-H 4.192 119.606 7.769 665065 L115HB2/L115HG-N/L115N-H/L115H 1.635 119.606 7.769 1018557 A114HB-L115N-H 1.372 119.623 7.767 311497 E116H-L115N-H 8.099 119.632 7.769 253716 A18HA-N-H 4.109 119.662 7.300 799195 K17H-A18N-H 8.322 119.663 7.300 724084 A18H-N-H 7.301 119.665 7.301 9125513 A18HB-N-H 1.460 119.668 7.300 1979594 Q19H-A18N-H 7.448 119.669 7.300 682301 E116H-N-H 8.098 119.672 8.096 5956665 K17HB3-A18N-H 1.345 119.682 7.297 481599 L115HA/E116HA-E116N/E116N-H/E116H 4.136 119.682 8.096 764947 S9HB2-A11N-H 4.503 119.685 8.762 271583 E116QB-N-H 1.898 119.686 8.095 618910 R10HA-A11N-H 4.043 119.692 8.762 149261 R10HB3-A11N-H 1.923 119.703 8.762 415359 E12H-A11N-H 7.965 119.706 8.764 447548 A11HA-N-H 4.241 119.707 8.763 560141 L115H-E116N-H 7.772 119.715 8.095 307822 A11H-N-H 8.762 119.718 8.763 7207642 R10HB2-A11N-H 2.085 119.718 8.761 186352 A11HB-N-H 1.486 119.719 8.763 1602387 R10H-A11N-H 9.078 119.737 8.764 355580 K17HA-A18N-H 3.457 119.758 7.301 159533 A103H-N-H 8.396 120.068 8.393 5256236 D102HA-A103N-H 4.610 120.091 8.392 733350 A103HA-N-H 4.086 120.091 8.393 486254 D102HB3-A103N-H 2.603 120.093 8.393 482213 A103HB-N-H 1.412 120.094 8.393 1446128 D102HB2-A103N-H 3.341 120.105 8.393 899665 D102H/D104H-A103N/A103N-H/A103H 8.031 120.123 8.393 478636 D98H-L99N-H 8.413 120.145 7.859 80168 D98HA-L99N-H 4.837 120.145 7.858 1296523 W13HA-D14N-H 4.938 120.167 9.266 104605 added 05/20 A11HA-D14N-H 4.228 120.194 9.266 199592 L99HB2-N-H 1.685 120.202 7.858 434623 A15HB-D14N-H 1.529 120.204 9.268 185964 W13H-D14N-H 8.592 120.209 9.266 559040 D14HA/R10HA-N/D14N-H/D14H 4.039 120.209 9.267 570679 W13HB2-D14N-H 3.193 120.210 9.265 387244 L58H-L99N-H 8.869 120.211 7.858 121433 D14H-N-H 9.266 120.215 9.266 6254360 A15H-D14N-H 7.603 120.217 9.266 602942 D14HB2-N-H 2.678 120.219 9.266 804652 V57HG2-L99N-H 0.790 120.220 7.859 114471 D14HB3-N-H 2.472 120.221 9.266 497532 L99H-N-H 7.858 120.223 7.858 4877746 L99HA-N-H 4.766 120.223 7.858 664237 D100H-L99N-H 9.219 120.224 7.858 100197 D98HB3-L99N-H 2.451 120.225 7.859 116095 L99HG-N-H 1.371 120.243 7.858 430809 V57HA-L99N-H 4.633 120.246 7.858 322471 D98HB2-L99N-H 2.728 120.248 7.860 247305 E12H/A16H-D14N/D14N-H/D14H 7.957 120.251 9.262 135729 W13HB3-D14N-H 2.954 120.264 9.266 173568 ?-?-? 0.576 120.267 7.859 237883 L99HD1-N-H 0.534 120.267 7.860 225148 E92HB2-N-H 2.530 120.270 7.600 571210 L99HB3-N-H 1.018 120.271 7.856 275326 L89QB-E92N-H 1.697 120.285 7.599 476580 A54H/S91H-Q53N/E92N-H/E92H 8.160 120.293 7.598 423336 L56HD1/V90HG1-Q53N/E92N-H/E92H 0.870 120.302 7.598 460080 E64HB3-N-H 1.960 120.318 9.571 317947 E64H-N-H 9.572 120.331 9.572 3432071 E64HA-N-H 4.140 120.332 9.571 282944 E64HB2-N-H 2.336 120.333 9.571 494416 G52HA2/E92HA-Q53N/E92N-H/E92H 4.207 120.333 7.598 703789 P65HD2-E64N-H 3.818 120.336 9.572 293444 P65HD3-E64N-H 3.457 120.336 9.570 242513 ?-?-? 8.569 120.336 7.859 94631 A63HB-E64N-H 1.470 120.339 9.570 363646 E92HB3-N-H 2.111 120.341 7.599 485331 Q53H/E92H-N/E92N-H/E92H 7.593 120.341 7.594 11047386 A63H-E64N-H 9.178 120.350 9.569 251174 G52HA3-Q53N-H 3.750 120.353 7.596 311190 Q53HB2/E92QG-N/E92N-H/E92H 2.273 120.365 7.597 1648787 E64HG2-N-H 2.741 120.407 9.567 104193 L56HD2-Q53N-H 0.672 120.410 7.596 503838 L101 HD's under here!! Q53HA-N-H 4.426 120.413 7.595 398585 G52H-Q53N-H 10.274 120.419 7.596 476154 V27HA-A30N-H 3.590 120.706 7.461 288452 A30HB-N-H 1.355 120.728 7.461 2139494 L29H-A30N-H 8.316 120.741 7.461 631145 L29HB2-A30N-H 1.590 120.750 7.462 486335 G32H-A30N-H 7.930 120.772 7.458 120642 A30HA/A26HA-N/A30N-H/A30H 3.992 120.780 7.463 866812 L29HA-A30N-H 3.766 120.785 7.465 263523 D31H-A30N-H 7.669 120.811 7.465 777055 A30H-N-H 7.466 120.867 7.467 11291749 A103H-D102N-H 8.408 120.905 8.031 117843 L101H-D102N-H 8.548 120.919 8.032 192425 V106H-D102N-H 8.889 120.928 8.031 429883 D102HB2-N-H 3.341 120.931 8.032 245051 Q108HE21-D102N-H 7.176 120.943 8.038 149301 D102H-N-H 8.031 120.945 8.030 6827286 L101HA/D102HA-D102N/D102N-H/D102H 4.626 120.945 8.030 1791000 D102HB3-N-H 2.600 120.955 8.029 433672 L101HD2-D102N-H 0.653 120.955 8.030 333368 Q108QG-D102N-H 2.425 120.958 8.030 314230 L101HB3-D102N-H 1.138 120.958 8.030 388829 L101HB2-D102N-H 1.814 120.964 8.029 188717 G105H-D102N-H 8.211 120.978 8.029 217578 V61HG2-V93N-H 0.631 121.028 7.475 188551 L29H-S25N-H 8.329 121.057 9.879 95155 D28H-S25N-H 6.940 121.079 9.880 119353 D28HB3-S25N-H 2.659 121.082 9.880 220230 G24HA2-S25N-H 4.236 121.083 9.879 379837 G24HA3-S25N-H 3.106 121.083 9.881 531270 ?-?-? 7.478 121.086 9.879 145356 I34HG13-S25N-H 0.589 121.095 9.881 105781 D28HB2-S25N-H 2.909 121.096 9.882 405109 S25HA-N-H 4.884 121.097 9.880 232406 S25H-N-H 9.878 121.110 9.880 2163211 S25QB-N-H 4.309 121.116 9.881 358257 ?-?-? 7.283 121.157 9.878 112124 D69H-E68N-H 7.639 121.184 8.895 627858 E68HB2-N-H 2.156 121.187 8.895 437594 E68HB3-N-H 1.968 121.192 8.895 820321 E68HA-N-H 4.211 121.198 8.896 546936 E68QG-N-H 2.315 121.198 8.895 648727 G67HA2-E68N-H 4.006 121.201 8.895 1358034 E68H-N-H 8.895 121.221 8.894 6798500 V93HB-N-H 2.449 121.225 7.490 1394110 V93HG1-N-H 0.839 121.237 7.490 439557 E92HA-V93N-H 4.228 121.243 7.491 360701 V93H-N-H 7.497 121.244 7.487 7720733 V93HA-N-H 4.032 121.244 7.490 445954 V93HG2-N-H 0.966 121.246 7.489 951591 G67HA3-E68N-H 3.910 121.359 8.894 905235 E92HB3-V93N-H 2.091 121.359 7.490 129337 L88HA-F22N-H 4.288 121.377 9.828 93874 I7HG2-V57N-H -0.172 121.395 9.204 96870 V57HG1-N-H 0.401 121.427 9.210 153479 L70HD1-N-H 0.375 121.454 7.429 127956 L70H-N-H 7.437 121.458 7.437 6720652 S25QB-D28N-H 4.299 121.459 6.933 157819 V57HB-N-H 1.497 121.464 9.211 558941 L56HB3-V57N-H 0.949 121.468 9.212 390624 L8HD2-V57N-H 0.226 121.474 9.215 119226 V57H-N-H 9.211 121.476 9.210 4462948 L8H-V57N-H 8.620 121.476 9.212 329152 L56HA/V57HA-V57N/V57N-H/V57H 4.660 121.480 9.211 1346448 L56HB2-V57N-H 1.849 121.484 9.210 206885 ?-?-? 0.714 121.485 9.211 419921 V27HA-D28N-H 3.589 121.509 6.933 204687 L29H-D28N-H 8.317 121.515 6.933 746826 A26HB-D28N-H 1.407 121.525 6.933 191438 miassigned!! no symmetric peak! D28H-N-H 6.932 121.527 6.933 6488984 V27H-D28N-H 7.933 121.527 6.933 889034 D28HA-N-H 4.513 121.534 6.934 331192 D28HB2-N-H 2.910 121.543 6.933 494072 S25H-D28N-H 9.880 121.547 6.933 218451 D28HB3-N-H 2.655 121.547 6.933 268545 V27HG1-D28N-H 0.416 121.547 6.933 333434 D69HB3-L70N-H 2.571 121.552 7.430 252742 V27HB-D28N-H 1.582 121.556 6.932 592503 V27HG2-D28N-H 0.653 121.560 6.934 246998 Y5HB3-K6N-H 2.400 121.564 8.862 193258 E68HA-L70N-H 4.214 121.566 7.436 251589 L70HB3/L70HG-N/L70N-H/L70H 0.960 121.566 7.434 662468 K71H-L70N-H 9.103 121.584 7.432 112727 L70HD2/L84HD1-N/L70N-H/L70H 0.817 121.585 7.435 319475 L70HB2-N-H 2.103 121.587 7.432 803013 K6H-N-H 8.867 121.591 8.863 4333204 L58HD1-K6N-H 0.723 121.591 8.863 264920 K6HA-N-H 4.784 121.593 8.863 316332 D69H-L70N-H 7.631 121.593 7.433 922337 Y5HB2-K6N-H 2.810 121.601 8.861 273788 A30H-D28N-H 7.463 121.604 6.932 160629 L70HA-N-H 4.852 121.610 7.439 220740 ?-?-? 0.803 121.611 8.861 254428 D69HA-L70N-H 4.583 121.611 7.434 208886 K6HB3-N-H 1.439 121.623 8.860 402449 Y5HA-K6N-H 5.769 121.625 8.861 1148369 L59H-K6N-H 9.272 121.629 8.860 306651 K6HB2-N-H 1.624 121.632 8.861 300134 L88H-F22N-H 8.102 121.633 9.824 178279 L89HA-F22N-H 4.553 121.652 9.828 147060 L89HD2-F22N-H 0.851 121.655 9.826 183398 Y5QD-K6N-H 6.843 121.657 8.866 124289 F22QB-N-H 3.022 121.657 9.825 846879 F22H-N-H 9.826 121.658 9.825 4517086 F22HA-N-H 5.181 121.658 9.827 622515 R21HB3-F22N-H 1.393 121.661 9.825 372844 A16HB-F22N-H 1.559 121.664 9.826 181256 R21HA-F22N-H 5.118 121.668 9.825 1104200 R21HB2-F22N-H 1.990 121.668 9.824 287287 F22QD-N-H 7.282 121.703 9.827 135317 L113HB2-A114N-H 1.574 121.785 7.650 434756 E96HA-N-H 5.325 121.795 8.554 357421 R95H-E96N-H 7.501 121.804 8.559 97723 V93HG1-E96N-H 0.825 121.819 8.556 158370 E96HG3-N-H 2.027 121.837 8.559 287290 R95HA-E96N-H 4.642 121.840 8.555 2014221 R95HG2-E96N-H 1.579 121.840 8.554 406100 R95QB-E96N-H 1.741 121.845 8.555 687596 E96HG2-N-H 2.175 121.858 8.556 787771 L113HB3/A114HB-A114N/A114N-H/A114H 1.369 121.871 7.651 1803617 E96H-N-H 8.557 121.883 8.555 7830181 A114HA-N-H 4.223 121.895 7.651 949036 L113HD2-A114N-H 0.102 121.899 7.649 123508 A114H-N-H 7.648 121.905 7.650 9366217 L113H-A114N-H 7.489 121.905 7.651 410024 L113HA-A114N-H 4.153 121.905 7.651 925774 A47HB-E44N-H 1.501 122.055 8.615 98189 Q43H-E44N-H 9.211 122.080 8.617 558233 E44QB-N-H 2.136 122.084 8.617 1590566 T45H/A46H-E44N/E44N-H/E44H 8.298 122.089 8.618 586380 E44HA/E40HA-N/E44N-H/E44H 4.195 122.092 8.618 552698 E44QG/Q43HG3-N/E44N-H/E44H 2.330 122.092 8.616 476141 E44H-N-H 8.616 122.093 8.618 6595620 Q43HB3-E44N-H 1.990 122.093 8.618 353324 Q43HA-E44N-H 3.937 122.103 8.619 191465 A97HB-D98N-H 0.847 122.114 8.407 864609 D98HB2-N-H 2.724 122.115 8.406 521602 D98HA-N-H 4.839 122.116 8.407 469341 D98HB3-N-H 2.452 122.118 8.407 1002436 A97HA-D98N-H 4.528 122.122 8.407 2385671 D98H-N-H 8.408 122.125 8.407 9293362 K17H-A15N-H 8.327 122.179 7.604 150294 L99H-D98N-H 7.859 122.182 8.405 113307 W13H-A15N-H 8.599 122.212 7.604 107418 A15HA/E12HA-N/A15N-H/A15H 4.165 122.228 7.605 1070335 A15H-N-H 7.605 122.231 7.605 10403380 A15HB-N-H 1.536 122.238 7.604 2418765 D14HB2-A15N-H 2.678 122.242 7.602 570381 D14H-A15N-H 9.266 122.245 7.603 768338 A16H-A15N-H 7.951 122.249 7.604 1151241 D14HB3-A15N-H 2.471 122.251 7.604 411022 W13H-A16N-H 8.583 122.489 7.949 110807 D14H-A16N-H 9.272 122.550 7.945 123877 A15HA/E12HA-A16N/A16N-H/A16H 4.162 122.594 7.951 338546 W13HA-A16N-H 4.931 122.600 7.950 240453 A15H-A16N-H 7.605 122.607 7.949 995113 A16HA-N-H 4.333 122.608 7.951 634901 A16H-N-H 7.950 122.618 7.950 10315047 A15HB/A16HB-A16N/A16N-H/A16H 1.565 122.623 7.950 2412888 K17H-A16N-H 8.325 122.626 7.950 891329 A18H-A16N-H 7.290 122.634 7.947 157103 Q108H-N-H 8.563 122.640 8.563 5186550 Q108QG-N-H 2.424 122.662 8.564 572671 ?-?-? 0.213 122.667 7.955 106856 L101HD2-Q108N-H 0.633 122.669 8.565 313249 Q108HA-N-H 4.494 122.674 8.566 308596 Q108HB3-N-H 2.063 122.736 8.564 665517 V90H-N-H 7.669 122.762 7.669 4893143 L89H-V90N-H 9.235 122.785 7.673 83437 F22H-V90N-H 9.820 122.805 7.672 90509 L89QB-V90N-H 1.695 122.815 7.669 437464 R21HA-V90N-H 5.112 122.819 7.669 498502 L109H-Q108N-H 8.845 122.821 8.566 144936 V90HG1/L89HD2-N/V90N-H/V90H 0.872 122.827 7.668 703568 V90HG2-N-H 0.706 122.837 7.669 986111 V90HB-N-H 1.942 122.839 7.669 953762 L89HA-V90N-H 4.552 122.844 7.669 1051018 V90HA-N-H 3.780 122.845 7.668 438028 S91H-V90N-H 8.146 122.851 7.670 425941 W72HA-E73N-H 4.713 123.102 8.559 1686217 G39HA3-A42N-H 3.700 123.115 7.519 103780 Q43H-A42N-H 9.215 123.147 7.516 297602 A42HA-N-H 3.941 123.147 7.514 524650 Q41QB-A42N-H 2.343 123.148 7.513 311198 E40HA-A42N-H 4.238 123.157 7.512 117506 A42HB-N-H 1.142 123.159 7.513 1230272 Q41H/A42H-A42N/A42N-H/A42H 7.511 123.160 7.513 6580338 Q41HA-A42N-H 4.751 123.162 7.511 147071 E73HA-N-H 4.762 123.231 8.560 940507 A42HA/Q43HA-A46N/A46N-H/A46H 3.932 123.249 8.277 315778 L58H-A97N-H 8.862 123.256 8.275 538540 A47H/K48H-A46N/A46N-H/A46H 8.076 123.256 8.277 594721 A46HB-N-H 1.421 123.256 8.276 1321494 T45H/A46H/A97H-A46N/A46N/A97N-H/A46H/A97H 8.276 123.266 8.275 14144887 T45HB/A97HA-A46N/A97N-H/A97H 4.513 123.270 8.276 891214 A46HA-N-H 4.257 123.273 8.277 368564 L59HA-A97N-H 4.682 123.280 8.276 225977 E96HA-A97N-H 5.322 123.282 8.274 1564015 E73HB3-N-H 1.605 123.287 8.556 360080 V57HG1-A97N-H 0.400 123.289 8.274 395726 A97HB-N-H 0.845 123.290 8.274 831428 L58HD2/I7HD1-A97N/A46N-H/A46H 0.589 123.296 8.277 416170 L59HD2-A97N-H -0.758 123.297 8.274 172454 E96HB3-A97N-H 1.629 123.299 8.273 624630 P82HA-E73N-H 3.617 123.315 8.554 147986 W72HB3-E73N-H 2.645 123.341 8.558 171379 E73H-N-H 8.562 123.368 8.559 5541242 W72HB2/H83HB2-E73N/E73N-H/E73H 3.007 123.368 8.553 137463 D100HB2-N-H 2.684 123.378 9.224 274276 L99HB2-D100N-H 1.687 123.384 9.222 142180 D100H-N-H 9.225 123.405 9.224 5819413 D100HA-N-H 4.935 123.405 9.223 398142 L99HA-D100N-H 4.755 123.408 9.224 1361285 L99HD2-D100N-H 0.602 123.409 9.225 359851 D100HB3-N-H 2.572 123.412 9.224 625847 L99HB3-D100N-H 1.026 123.414 9.225 313263 L99H-D100N-H 7.839 123.422 9.223 112397 L101H-D100N-H 8.553 123.424 9.224 149020 S25QB-A26N-H 4.317 123.461 9.105 847933 A26HB-N-H 1.429 123.464 9.106 1561601 V27H-A26N-H 7.937 123.468 9.106 424569 A26HA-N-H 3.974 123.497 9.103 611952 A26H-N-H 9.103 123.504 9.103 6432208 R10HA-N-H 4.044 123.641 9.077 491061 E12HB3-W13N-H 2.160 123.650 8.591 168648 L8HG-W13N-H 1.653 123.653 8.587 260334 N55HB3-R10N-H 2.971 123.655 9.076 190307 R10HG3-N-H 1.645 123.679 9.075 149542 S9H-R10N-H 8.559 123.694 9.076 166378 S9HB2-R10N-H 4.500 123.696 9.075 423878 R10HB2-N-H 2.083 123.707 9.075 649200 S9HA-R10N-H 4.738 123.709 9.076 1069410 R10HB3-N-H 1.924 123.714 9.076 712436 E12HA-W13N-H 4.167 123.721 8.593 160168 ?-?-? 0.714 123.727 9.075 280463 A11H-R10N-H 8.762 123.728 9.076 413127 A11HB-W13N-H 1.499 123.740 8.588 148040 assigned 05/21 D14H-W13N-H 9.264 123.745 8.594 589019 W13H-N-H 8.595 123.747 8.593 5853621 W13HB2-N-H 3.191 123.755 8.594 780205 E12H-W13N-H 7.966 123.757 8.594 743351 R10HA-W13N-H 4.039 123.761 8.593 239220 V57HG2-W13N-H 0.753 123.762 8.586 88055 E12HB2-W13N-H 2.450 123.763 8.594 439484 R80H-F81N-H 8.398 123.768 8.723 121484 W13HB3-N-H 2.945 123.773 8.594 738738 R10H-N-H 9.081 123.778 9.078 5809112 E12H-R10N-H 7.964 123.778 9.080 99426 W13HA-N-H 4.931 123.785 8.592 327679 L8HD1-W13N-H 0.129 123.788 8.592 241035 R80HB3-F81N-H 1.536 123.796 8.723 198157 R80HB2-F81N-H 1.733 123.807 8.720 131482 W13HD1-N-H 7.020 123.828 8.595 79094 E73H-F81N-H 8.554 123.842 8.721 362101 A74HB/R80HG3-F81N/F81N-H/F81H 1.357 123.844 8.720 125768 F81HB2-N-H 3.183 123.846 8.722 204533 R80H-A79N-H 8.384 123.848 7.884 105667 F81QD-N-H 7.538 123.858 8.725 257645 R80HA-F81N-H 4.616 123.865 8.723 1263032 F81H-N-H 8.723 123.867 8.723 4298232 F81HA-N-H 5.156 123.877 8.721 209036 F81HB3-N-H 2.688 123.880 8.723 431247 A15H-W13N-H 7.602 123.895 8.593 84011 A79H-N-H 7.889 123.901 7.889 8149416 G78HA3-A79N-H 3.793 123.903 7.890 261091 A79HB-N-H 1.294 123.909 7.889 1232509 G78H-A79N-H 8.059 123.910 7.887 373150 G78HA2/A79HA-A79N/A79N-H/A79H 4.364 123.910 7.889 751876 Y5HA-V61N-H 5.778 124.101 8.950 123987 V61HB-N-H 1.641 124.132 8.946 617156 A60HA-V61N-H 4.735 124.142 8.946 1157864 V61HG2-N-H 0.637 124.152 8.945 647475 A60HB-V61N-H 1.215 124.163 8.945 382293 V61H-N-H 8.945 124.182 8.945 4798574 V61HG1-N-H 0.824 124.280 8.942 369378 V61HA-N-H 4.244 124.340 8.940 341139 L58HD2-N-H 0.582 124.476 8.861 343896 H83HB3-N-H 1.841 124.494 8.839 168416 A97H-L58N-H 8.277 124.497 8.861 393941 L58HA-N-H 4.757 124.500 8.860 308426 V57HG1-L58N-H 0.395 124.503 8.857 612756 V57HA-L58N-H 4.629 124.505 8.860 1349420 L58HB3-N-H 0.989 124.510 8.857 418944 L58H/H83H-N/H83N-H/H83H 8.854 124.511 8.850 6043140 ?-?-? 1.357 124.511 8.859 255625 V57HG2-L58N-H 0.778 124.512 8.859 347114 Q53HB3-A54N-H 2.196 124.512 8.201 329251 L58HB2-N-H 1.565 124.516 8.861 598111 H83HA-N-H 5.331 124.532 8.840 214275 P82HA-H83N-H 3.623 124.537 8.834 1154942 H83HB2-N-H 3.006 124.540 8.834 321793 K71H-H83N-H 9.118 124.546 8.833 299770 W72HA-H83N-H 4.725 124.546 8.837 473216 Q53H-A54N-H 7.593 124.554 8.203 142253 P82HB3-H83N-H -0.408 124.557 8.831 128155 Q53QG-A54N-H 2.298 124.583 8.203 429716 Q53HA-A54N-H 4.424 124.587 8.202 2847341 A54HB-N-H 1.422 124.588 8.203 1989066 N55H-A54N-H 8.915 124.590 8.204 209997 L56HD2-A54N-H 0.685 124.595 8.203 244407 A54H-N-H 8.204 124.602 8.202 11059275 A54HA-N-H 4.349 124.602 8.203 1550674 A60HB-N-H 1.228 124.625 8.333 702668 R95H-A60N-H 7.507 124.630 8.331 347485 A60H-N-H 8.330 124.635 8.331 5267448 L59HD2-A60N-H -0.754 124.639 8.330 209626 L59HA/A60HA-A60N/A60N-H/A60H 4.708 124.641 8.332 1367807 L59HB3-A60N-H 0.829 124.653 8.331 681419 V61H-A60N-H 8.953 124.655 8.330 146576 E96HA-A60N-H 5.325 124.657 8.329 174575 V61HG2-T94N-H 0.630 124.771 9.002 183371 T94HA/V61HA-N/T94N-H/T94H 4.236 124.795 9.005 589568 T94HG2-N-H 1.208 124.800 9.004 259163 V93HG1-T94N-H 0.821 124.809 9.006 455876 V93HA-T94N-H 4.034 124.812 9.006 1125417 T94H-N-H 9.009 124.816 9.008 3463073 T94HB-N-H 3.976 124.816 9.006 893831 V93H/R95H-T94N/T94N-H/T94H 7.511 124.817 9.006 710858 V93HG2-T94N-H 0.963 124.844 9.011 147419 E62H-T94N-H 8.517 124.882 9.005 91756 E23HA-N-H 3.875 125.032 9.065 286349 ?-?-? 4.662 125.033 9.066 656204 F22QD-E23N-H 7.282 125.057 9.066 308449 F22HA/L84HA-E23N/L84N-H/L84H 5.182 125.065 9.065 1462807 E23HB3/H83HB3-N/L84N-H/L84H 1.826 125.106 9.065 774798 A16HB-E23N-H 1.588 125.106 9.066 191370 F22QB/H83HB2-E23N/L84N-H/L84H 3.023 125.107 9.065 230778 E23H/L84H/Y85H-N/L84N/L84N-H/L84H/L84H 9.064 125.124 9.065 7199237 L84HB2-N-H 2.042 125.153 9.066 628007 I34H-L84N-H 8.637 125.238 9.068 160483 H83HA-L84N-H 5.321 125.276 9.064 797569 L84HD2/L36HD1-N/L84N-H/L84H 0.731 125.276 9.066 407267 L84HB3-N-H 0.999 125.281 9.066 283831 ?-?-? 3.072 125.373 8.176 294526 ?-?-? 4.583 125.374 8.178 627337 G105HA3-V106N-H 3.666 125.528 8.888 185141 V106HA-N-H 4.075 125.554 8.888 335517 V106HG2-N-H 0.889 125.569 8.889 1113582 V106HB-N-H 2.295 125.571 8.889 1051955 D104H-V106N-H 8.035 125.577 8.888 697753 G105H-V106N-H 8.198 125.578 8.889 832981 D104HB3-V106N-H 2.644 125.583 8.885 162654 V106H-N-H 8.883 125.674 8.882 7985666 G105HA2-V106N-H 4.287 125.674 8.891 196791 L88HD2-N-H 0.627 125.849 8.105 193173 F22QB-L88N-H 3.038 125.861 8.096 204598 P87HG3-L88N-H 1.912 125.862 8.100 193236 L59HD2-N-H -0.747 125.878 9.274 131564 W72H-N-H 8.994 125.882 8.994 5281536 K71HA/W72HA-W72N/W72N-H/W72H 4.711 125.882 8.994 1702687 W72HD1-N-H 7.184 125.886 8.994 453948 L109HA-N-H 4.320 125.892 8.866 332923 W72HB2-N-H 3.002 125.895 8.993 617009 K71HB2-W72N-H 1.664 125.895 8.994 319574 P87HB3-L88N-H 1.469 125.895 8.099 152749 W72HB3-N-H 2.637 125.900 8.994 331863 L59H-N-H 9.277 125.911 9.275 3150078 L58HA/L59HA-L59N/L59N-H/L59H 4.736 125.911 9.274 1089938 L58HG-L59N-H 1.320 125.911 9.275 226619 L88HB3-N-H 1.279 125.915 8.099 484081 L59HB2-N-H 1.415 125.916 9.274 317823 P87HA/L88HA-L88N/L88N-H/L88H 4.292 125.924 8.099 1371899 K71QG-W72N-H 1.280 125.925 8.993 141744 L59HB3/L59HG-N/L59N-H/L59H 0.823 125.926 9.275 650391 L88H-N-H 8.101 125.932 8.099 4523238 P87HB2-L88N-H 1.727 125.935 8.104 324055 L58H/K6H-L59N/L59N-H/L59H 8.861 125.936 9.272 275116 L109HB3/L109HG-N/L109N-H/L109H 1.495 125.941 8.864 946123 L89HD2/I34HD1-L88N/L88N-H/L88H 0.825 125.943 8.100 768211 F22H-L88N-H 9.826 125.944 8.098 208009 L59HD1-N-H -0.327 125.945 9.271 114743 L88HB2-N-H 2.082 125.953 8.098 660424 L109HD1-N-H 0.565 125.957 8.862 481665 Q108H-L109N-H 8.563 125.963 8.868 101646 E23HA-L88N-H 3.864 125.966 8.096 108451 Q108HA-L109N-H 4.491 125.971 8.863 1353613 F22QD-L88N-H 7.291 125.975 8.097 148582 Q43HE22-L109N-H 8.119 126.002 8.868 337383 H83HA-L36N-H 5.322 126.033 8.457 182274 H35HB2-L36N-H 3.375 126.036 8.456 108156 P82HG2-L36N-H 1.842 126.045 8.457 116560 misassigned!? no symmetric peak in 13C L36HD1/L36HD2-N/L36N-H/L36H 0.710 126.047 8.458 305369 H35HA-L36N-H 4.446 126.050 8.457 909146 H83HD2-L36N-H 7.101 126.053 8.455 259182 L36HA-N-H 5.180 126.058 8.457 257336 L36H-N-H 8.459 126.061 8.457 3778170 L36HB3/L36HG-N/L36N-H/L36H 1.582 126.061 8.458 419164 H35HB3-L36N-H 3.159 126.101 8.455 82561 L70HG-K71N-H 0.932 126.121 9.117 295111 K71QG-N-H 1.265 126.153 9.118 300698 L70HD1-K71N-H 0.369 126.156 9.118 339432 ?-?-? 7.196 126.165 9.114 115482 K71H-N-H 9.116 126.169 9.117 4072113 K71HA-N-H 4.727 126.169 9.115 301078 L70HA-K71N-H 4.841 126.172 9.117 1060716 K71HB3-N-H 1.623 126.184 9.118 329819 H83H-K71N-H 8.826 126.190 9.118 184851 L84HA-K71N-H 5.156 126.198 9.119 130523 L70HD2/L84HD1-K71N/K71N-H/K71H 0.814 126.268 9.119 188230 I7HB-L8N-H 0.911 126.540 8.630 127063 V57HG2-L8N-H 0.720 126.541 8.634 107728 L56HD2-L8N-H 0.651 126.541 8.632 107482 L8HD2-N-H 0.219 126.633 8.631 719400 I7HA-L8N-H 4.703 126.642 8.631 1462843 V57H-L8N-H 9.220 126.645 8.632 350145 L8H-N-H 8.630 126.648 8.631 4930292 L8HG-N-H 1.712 126.648 8.628 121312 L8HA/L58HA-N/L8N-H/L8H 4.756 126.648 8.632 1130266 I7HG2-L8N-H -0.177 126.655 8.631 491113 L8HB3-N-H 1.328 126.691 8.632 167151 I7HG13-L8N-H 0.461 126.725 8.631 90902 Q41H-A38N-H 7.514 127.120 9.673 147716 W72HZ3-A38N-H 6.962 127.120 9.671 93078 A38H-N-H 9.673 127.135 9.673 3478182 S37HA-A38N-H 5.271 127.136 9.673 913728 S37HB3-A38N-H 3.677 127.136 9.674 149138 A38HB-N-H 1.780 127.141 9.673 854923 Q41QB-A38N-H 2.340 127.142 9.673 404780 A38HA-N-H 4.966 127.156 9.672 229527 S37HB2-A38N-H 3.976 127.162 9.673 189285 E73HB3-A74N-H 1.628 127.441 8.969 115697 A74HB-N-H 1.369 127.448 8.974 994272 E73HA/A74HA-A74N/A74N-H/A74H 4.756 127.456 8.973 1173237 A74H-N-H 8.974 127.458 8.973 3771872 E73HB2-A74N-H 2.022 127.485 8.974 233102 A63HB-N-H 1.470 127.555 9.178 637918 A63HA-N-H 3.990 127.556 9.178 248271 E62QB-A63N-H 1.909 127.569 9.180 143250 E62HA-A63N-H 4.548 127.589 9.179 875147 L3HD2-A63N-H 0.600 127.590 9.181 144861 E64H-A63N-H 9.568 127.626 9.176 189990 A63H-N-H 9.183 127.657 9.182 3290697 V61HG1-A63N-H 0.871 127.657 9.180 181849 T94HG2-E62N-H 1.203 127.809 8.503 132084 V61HG2-E62N-H 0.619 127.823 8.502 214672 E62HA-N-H 4.547 127.833 8.503 181588 V61HG1-E62N-H 0.827 127.834 8.501 337877 E62H-N-H 8.503 127.845 8.501 3458106 V61HA-E62N-H 4.232 127.855 8.501 811972 E62QB-N-H 1.901 127.858 8.501 590613 E62HG3-N-H 2.283 127.860 8.501 254279 H35H-N-H 9.206 127.994 9.200 3057166 H35HA-N-H 4.464 127.994 9.206 186771 H35HD2-N-H 7.455 128.009 9.206 182099 H35HB3-N-H 3.158 128.020 9.205 242824 I34HA-H35N-H 3.804 128.032 9.206 605841 L88HB2/E92HB3-L89N/L89N-H/L89H 2.081 128.206 9.231 113473 L89H-N-H 9.230 128.230 9.231 3882997 L89HA-N-H 4.549 128.246 9.229 182121 K6HA-I7N-H 4.821 128.260 8.283 608524 I7H-N-H 8.283 128.264 8.283 2176378 I7HA-N-H 4.701 128.264 8.283 142924 I7HG13-N-H 0.510 128.264 8.283 111882 K6HG3-I7N-H 1.030 128.264 8.278 108600 L89HD2-N-H 0.872 128.297 9.224 723168 I7HB-N-H 0.915 128.304 8.282 347928 I7HG12-N-H 1.374 128.320 8.283 210739 L89QB/L89HG/L88HG-N/L89N/L89N-H/L89H/L89H 1.700 128.341 9.227 949596 L88HA-L89N-H 4.275 128.343 9.227 721002 I7HG2-N-H -0.180 128.353 8.279 91732 I7HD1-N-H 0.610 128.354 8.283 159321 ?-?-? 2.425 128.366 8.284 174371 K6HG2-I7N-H 1.092 128.369 8.279 125082 E92HB2-L89N-H 2.535 128.373 9.224 107781 E92QG-L89N-H 2.258 128.379 9.229 94669 K48HG3-W49NE1-HE1 0.479 128.630 10.231 104097 K48HB3-W49NE1-HE1 1.102 128.679 10.234 92472 W49HD1/W49HZ2-NE1/W49NE1-HE1/W49HE1 7.383 128.688 10.235 1322079 W49HE1-NE1-HE1 10.237 128.689 10.236 9549152 K48HB2/T45HG2-W49NE1/W49NE1-HE1/W49HE1 1.516 128.699 10.234 161773 K48HD3-W49NE1-HE1 1.324 128.705 10.233 182330 W49HA-NE1-HE1 4.828 128.731 10.233 234311 H2O?? L3HB3-N-H 0.769 128.925 9.075 227752 T2HG2-L3N-H 1.373 128.932 9.076 342055 L3H-N-H 9.075 128.941 9.074 3501421 T2HA-L3N-H 3.824 128.944 9.074 803845 L3HG-N-H 1.611 128.948 9.074 369362 L3HB2-N-H 1.751 128.951 9.074 387455 L3HA-N-H 4.857 128.960 9.076 310083 L3HD2-N-H 0.621 128.982 9.077 141776 K17HE3-W13NE1-HE1 2.315 129.608 10.399 106340 L59HD2-W13NE1-HE1 -0.752 129.619 10.405 196266 W13HZ2-NE1-HE1 7.331 129.628 10.400 710063 W13HE1-NE1-HE1 10.402 129.629 10.400 9582378 W13HD1-NE1-HE1 7.021 129.629 10.400 1123903 K17HD3-W13NE1-HE1 1.208 129.631 10.401 316155 V57HG1-W13NE1-HE1 0.401 129.632 10.403 207812 E96QB-W13NE1-HE1 1.666 129.635 10.401 273972 unassigned by AS V57HG2-W13NE1-HE1 0.771 129.651 10.404 115392 K17HE2-W13NE1-HE1 2.497 129.653 10.395 82183 added 05/21 L70HD2-W72NE1-HE1 0.832 131.105 10.312 534155 A63HB-W72NE1-HE1 1.459 131.108 10.310 111975 W72HE1-NE1-HE1 10.315 131.109 10.312 7463573 W72HD1/W72HZ2-NE1/W72NE1-HE1/W72HE1 7.166 131.115 10.312 1131680 L84HG-Y85N-H 1.943 131.336 9.065 95748 Y85HA-N-H 4.514 131.391 9.065 162697 ?-?-? 2.589 131.420 9.064 113459 L84HD2-Y85N-H 0.765 131.428 9.062 361693 L84H/Y85H-Y85N/Y85N-H/Y85H 9.061 131.431 9.062 2038218 L84HA-Y85N-H 5.152 131.431 9.062 751720 Y85QD-N-H 7.204 131.432 9.061 332509 Y85HB2-N-H 3.568 131.433 9.062 240496 Y85HB3-N-H 2.870 131.437 9.061 396870 R86H-Y85N-H 7.431 131.449 9.062 133546 ; 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 'all H's' . 11198.208 . . . 15281 3 2 C 1 'all N's' . 2838.490 . . . 15281 3 3 H 1 'amide H's side chain NH's' . 11160.714 . . . 15281 3 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 3 $SPARKY . . 15281 3 stop_ save_