data_15849 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15849 _Entry.Title ; SOLUTION NMR STRUCTURE OF the second OB-fold domain of replication protein A from Methanococcus maripaludis. NORTHEAST STRUCTURAL GENOMICS TARGET MrR110B. ; _Entry.Version_type new _Entry.Submission_date 2008-06-30 _Entry.Accession_date 2008-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.0.8.116 _Entry.Original_NMR_STAR_version 3.0.8.116 _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. . 15849 2 Melissa Maglaqui . . . 15849 3 Mei Jiang . . . 15849 4 Colleen Ciccosanti . . . 15849 5 Rong Xiao . . . 15849 6 Rajesh Nair . . . 15849 7 John Everett . K. . 15849 8 G. Swapna . V.T. . 15849 9 Thomas Acton . B. . 15849 10 Burkhard Rost . . . 15849 11 Gaetano Montelione . T. . 15849 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15849 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'solution NMR structure' . 15849 'replication protein A' . 15849 'OB-fold domain' . 15849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15849 spectral_peak_list 3 15849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 708 15849 '13C chemical shifts' 450 15849 '15N chemical shifts' 105 15849 stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 2010-06-02 2008-06-30 update BMRB 'edit assembly name' 15849 2 2009-06-04 2008-06-30 update BMRB 'added time domain data' 15849 1 2008-07-01 2008-06-30 original author 'original release' 15849 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15849 _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 the second OB-fold domain of replication protein A from Methanococcus maripaludis. NORTHEAST STRUCTURAL GENOMICS TARGET MrR110B.' _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. . 15849 1 2 Melissa Maglaqui . . . 15849 1 3 Mei Jiang . . . 15849 1 4 Colleen Ciccosanti . . . 15849 1 5 Rong Xiao . . . 15849 1 6 Rajesh Nair . . . 15849 1 7 John Everett . K. . 15849 1 8 G. Swapna . V.T. . 15849 1 9 Thomas Acton . B. . 15849 1 10 Gaetano Montelione . T. . 15849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15849 _Assembly.ID 1 _Assembly.Name MrR110B _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 MrR110B 1 $MrR110B A . yes native no no . . . 15849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MrR110B _Entity.Sf_category entity _Entity.Sf_framecode MrR110B _Entity.Entry_ID 15849 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MrR110B _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 ; MNYKISELMPNLSGTINAEV VAAYPKKEFSRKDGTKGQLK SLFLKDDTGSIRGTLWNELA DFEVKKGDIAEVSGYVKQGY SGLEISVDNIGIIEKSLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Domain corresponds to residues 173 to 267 in the full length protein' _Entity.Polymer_author_seq_details 'C-terminal LEHHHHHH purification tag.' _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'T-->A mutation at residue 193; cloning artefact' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11631.229 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2011-03-02 loop_ _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 _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 no PDB 2K5V . "Solution Nmr Structure Of The Second Ob-Fold Domain Of Replication Protein A From Methanococcus Maripaludis. Northeast Structur" . . . . . 100.00 104 100.00 100.00 6.44e-54 . . . . 15849 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 1 172 MET . 15849 1 2 173 ASN . 15849 1 3 174 TYR . 15849 1 4 175 LYS . 15849 1 5 176 ILE . 15849 1 6 177 SER . 15849 1 7 178 GLU . 15849 1 8 179 LEU . 15849 1 9 180 MET . 15849 1 10 181 PRO . 15849 1 11 182 ASN . 15849 1 12 183 LEU . 15849 1 13 184 SER . 15849 1 14 185 GLY . 15849 1 15 186 THR . 15849 1 16 187 ILE . 15849 1 17 188 ASN . 15849 1 18 189 ALA . 15849 1 19 190 GLU . 15849 1 20 191 VAL . 15849 1 21 192 VAL . 15849 1 22 193 ALA . 15849 1 23 194 ALA . 15849 1 24 195 TYR . 15849 1 25 196 PRO . 15849 1 26 197 LYS . 15849 1 27 198 LYS . 15849 1 28 199 GLU . 15849 1 29 200 PHE . 15849 1 30 201 SER . 15849 1 31 202 ARG . 15849 1 32 203 LYS . 15849 1 33 204 ASP . 15849 1 34 205 GLY . 15849 1 35 206 THR . 15849 1 36 207 LYS . 15849 1 37 208 GLY . 15849 1 38 209 GLN . 15849 1 39 210 LEU . 15849 1 40 211 LYS . 15849 1 41 212 SER . 15849 1 42 213 LEU . 15849 1 43 214 PHE . 15849 1 44 215 LEU . 15849 1 45 216 LYS . 15849 1 46 217 ASP . 15849 1 47 218 ASP . 15849 1 48 219 THR . 15849 1 49 220 GLY . 15849 1 50 221 SER . 15849 1 51 222 ILE . 15849 1 52 223 ARG . 15849 1 53 224 GLY . 15849 1 54 225 THR . 15849 1 55 226 LEU . 15849 1 56 227 TRP . 15849 1 57 228 ASN . 15849 1 58 229 GLU . 15849 1 59 230 LEU . 15849 1 60 231 ALA . 15849 1 61 232 ASP . 15849 1 62 233 PHE . 15849 1 63 234 GLU . 15849 1 64 235 VAL . 15849 1 65 236 LYS . 15849 1 66 237 LYS . 15849 1 67 238 GLY . 15849 1 68 239 ASP . 15849 1 69 240 ILE . 15849 1 70 241 ALA . 15849 1 71 242 GLU . 15849 1 72 243 VAL . 15849 1 73 244 SER . 15849 1 74 245 GLY . 15849 1 75 246 TYR . 15849 1 76 247 VAL . 15849 1 77 248 LYS . 15849 1 78 249 GLN . 15849 1 79 250 GLY . 15849 1 80 251 TYR . 15849 1 81 252 SER . 15849 1 82 253 GLY . 15849 1 83 254 LEU . 15849 1 84 255 GLU . 15849 1 85 256 ILE . 15849 1 86 257 SER . 15849 1 87 258 VAL . 15849 1 88 259 ASP . 15849 1 89 260 ASN . 15849 1 90 261 ILE . 15849 1 91 262 GLY . 15849 1 92 263 ILE . 15849 1 93 264 ILE . 15849 1 94 265 GLU . 15849 1 95 266 LYS . 15849 1 96 267 SER . 15849 1 97 268 LEU . 15849 1 98 269 GLU . 15849 1 99 270 HIS . 15849 1 100 271 HIS . 15849 1 101 272 HIS . 15849 1 102 273 HIS . 15849 1 103 274 HIS . 15849 1 104 275 HIS . 15849 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 15849 1 . ASN 2 2 15849 1 . TYR 3 3 15849 1 . LYS 4 4 15849 1 . ILE 5 5 15849 1 . SER 6 6 15849 1 . GLU 7 7 15849 1 . LEU 8 8 15849 1 . MET 9 9 15849 1 . PRO 10 10 15849 1 . ASN 11 11 15849 1 . LEU 12 12 15849 1 . SER 13 13 15849 1 . GLY 14 14 15849 1 . THR 15 15 15849 1 . ILE 16 16 15849 1 . ASN 17 17 15849 1 . ALA 18 18 15849 1 . GLU 19 19 15849 1 . VAL 20 20 15849 1 . VAL 21 21 15849 1 . ALA 22 22 15849 1 . ALA 23 23 15849 1 . TYR 24 24 15849 1 . PRO 25 25 15849 1 . LYS 26 26 15849 1 . LYS 27 27 15849 1 . GLU 28 28 15849 1 . PHE 29 29 15849 1 . SER 30 30 15849 1 . ARG 31 31 15849 1 . LYS 32 32 15849 1 . ASP 33 33 15849 1 . GLY 34 34 15849 1 . THR 35 35 15849 1 . LYS 36 36 15849 1 . GLY 37 37 15849 1 . GLN 38 38 15849 1 . LEU 39 39 15849 1 . LYS 40 40 15849 1 . SER 41 41 15849 1 . LEU 42 42 15849 1 . PHE 43 43 15849 1 . LEU 44 44 15849 1 . LYS 45 45 15849 1 . ASP 46 46 15849 1 . ASP 47 47 15849 1 . THR 48 48 15849 1 . GLY 49 49 15849 1 . SER 50 50 15849 1 . ILE 51 51 15849 1 . ARG 52 52 15849 1 . GLY 53 53 15849 1 . THR 54 54 15849 1 . LEU 55 55 15849 1 . TRP 56 56 15849 1 . ASN 57 57 15849 1 . GLU 58 58 15849 1 . LEU 59 59 15849 1 . ALA 60 60 15849 1 . ASP 61 61 15849 1 . PHE 62 62 15849 1 . GLU 63 63 15849 1 . VAL 64 64 15849 1 . LYS 65 65 15849 1 . LYS 66 66 15849 1 . GLY 67 67 15849 1 . ASP 68 68 15849 1 . ILE 69 69 15849 1 . ALA 70 70 15849 1 . GLU 71 71 15849 1 . VAL 72 72 15849 1 . SER 73 73 15849 1 . GLY 74 74 15849 1 . TYR 75 75 15849 1 . VAL 76 76 15849 1 . LYS 77 77 15849 1 . GLN 78 78 15849 1 . GLY 79 79 15849 1 . TYR 80 80 15849 1 . SER 81 81 15849 1 . GLY 82 82 15849 1 . LEU 83 83 15849 1 . GLU 84 84 15849 1 . ILE 85 85 15849 1 . SER 86 86 15849 1 . VAL 87 87 15849 1 . ASP 88 88 15849 1 . ASN 89 89 15849 1 . ILE 90 90 15849 1 . GLY 91 91 15849 1 . ILE 92 92 15849 1 . ILE 93 93 15849 1 . GLU 94 94 15849 1 . LYS 95 95 15849 1 . SER 96 96 15849 1 . LEU 97 97 15849 1 . GLU 98 98 15849 1 . HIS 99 99 15849 1 . HIS 100 100 15849 1 . HIS 101 101 15849 1 . HIS 102 102 15849 1 . HIS 103 103 15849 1 . HIS 104 104 15849 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 15849 _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 $MrR110B . 39152 organism . 'Methanococcus maripaludis' 'Methanococcus maripaludis' . . Archaea . Methanococcus maripaludis . . . . . . . . . . . . . . . . rpa . . . . 15849 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 15849 _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 $MrR110B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)MGK . . . . . . . . . . . . . . . MrR110B-21.1 . . . . . . 15849 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15849 _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 MrR110B '[U-100% 13C; U-100% 15N]' . . 1 $MrR110B . . 1.18 . . mM . . . . 15849 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15849 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15849 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15849 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15849 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15849 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15849 _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 MrR110B '[U-100% 13C; U-100% 15N]' . . 1 $MrR110B . . 1.18 . . mM . . . . 15849 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15849 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15849 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15849 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15849 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15849 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15849 _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 MrR110B '[U-5% 13C; U-100% 15N]' . . 1 $MrR110B . . 0.94 . . mM . . . . 15849 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15849 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15849 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15849 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15849 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15849 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 15849 _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 temperature 298 . K 15849 1 pH 6.5 . pH 15849 1 pressure 1 . atm 15849 1 'ionic strength' 0.1 . M 15849 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15849 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15849 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15849 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15849 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15849 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15849 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15849 _Software.ID 3 _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' . . 15849 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15849 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15849 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15849 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15849 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15849 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15849 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15849 5 'structure solution' 15849 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15849 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15849 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15849 6 'data analysis' 15849 6 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15849 _Software.ID 7 _Software.Name AutoStructure _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15849 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RPF validation' 15849 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15849 _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' . . 15849 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15849 8 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 15849 _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' . . 15849 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PDB analysis' 15849 9 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 15849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5mm CRP' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15849 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5mm CRP' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15849 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 '5mm CRP' . . 15849 1 2 spectrometer_2 Bruker Avance . 600 '5mm CRP' . . 15849 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 15849 _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.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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 2 '2D 1H-13C HSQC (aliph)' yes 2 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 3 '3D HNCO' yes 3 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 4 '3D HN(CA)CO' yes 4 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 5 '3D CBCA(CO)NH' yes 5 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 6 '3D HNCACB' yes 6 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 7 '3D HBHA(CO)NH' yes 7 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 8 '3D HCCH-COSY aliphatic' yes 8 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 9 '3D HCCH-TOCSY aliphatic' yes 9 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 10 '3D CCH-TOCSY aliphatic' yes 10 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 11 '3D HNHA' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 12 '3D simultaneous CN NOESY' yes 11 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 13 '3D 1H-13C NOESY aromatic' yes 12 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 14 '3D simultaneous CN NOESY' yes 13 . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 15 '2D 1H-13C HSQC high res. (L/V stereoassignment)' yes 14 . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 16 '2D 1H-15N hetNOE' yes 15 . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 17 '2D 1H-15N T1' yes 16 . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 1 18 '2D 1H-13C HSQC (arom)' yes 17 . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 15849 1 19 '2D 1H-15N T2' yes 18 . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 15849 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 15849 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6419_MrR110B_gNhsqc.fid/' . . . . . . . 15849 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6419_MrR110B_gNhsqc.fid/' . . . . . . . 15849 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6419_MrR110B_gNhsqc.fid/' . . . . . . . 15849 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 15849 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.3192_MrR110B_hsqcetf3gpsi.fid/' . . . . . . . 15849 2 JMA.I.3192_MrR110B_hsqcetf3gpsi.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.3192_MrR110B_hsqcetf3gpsi.fid/' . . . . . . . 15849 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.3192_MrR110B_hsqcetf3gpsi.fid/' . . . . . . . 15849 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.3192_MrR110B_hsqcetf3gpsi.fid/' . . . . . . . 15849 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.3192_MrR110B_hsqcetf3gpsi.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 3 _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 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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9730_MrR110B_hncogp3d.fid/' . . . . . . . 15849 3 JMA.I.9730_MrR110B_hncogp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9730_MrR110B_hncogp3d.fid/' . . . . . . . 15849 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9730_MrR110B_hncogp3d.fid/' . . . . . . . 15849 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9730_MrR110B_hncogp3d.fid/' . . . . . . . 15849 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9730_MrR110B_hncogp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 4 _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 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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2856_MrR110B_hncacogp3d.fid/' . . . . . . . 15849 4 JMA.I.2856_MrR110B_hncacogp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2856_MrR110B_hncacogp3d.fid/' . . . . . . . 15849 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2856_MrR110B_hncacogp3d.fid/' . . . . . . . 15849 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2856_MrR110B_hncacogp3d.fid/' . . . . . . . 15849 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2856_MrR110B_hncacogp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9144_MrR110B_cbcaconhgp3d.fid/' . . . . . . . 15849 5 JMA.I.9144_MrR110B_cbcaconhgp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9144_MrR110B_cbcaconhgp3d.fid/' . . . . . . . 15849 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9144_MrR110B_cbcaconhgp3d.fid/' . . . . . . . 15849 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9144_MrR110B_cbcaconhgp3d.fid/' . . . . . . . 15849 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9144_MrR110B_cbcaconhgp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6122_MrR110B_hncacbgp3d.fid/' . . . . . . . 15849 6 JMA.I.6122_MrR110B_hncacbgp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6122_MrR110B_hncacbgp3d.fid/' . . . . . . . 15849 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6122_MrR110B_hncacbgp3d.fid/' . . . . . . . 15849 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6122_MrR110B_hncacbgp3d.fid/' . . . . . . . 15849 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.6122_MrR110B_hncacbgp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2799_MrR110B_hbhaconhgp3d.fid/' . . . . . . . 15849 7 JMA.I.2799_MrR110B_hbhaconhgp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2799_MrR110B_hbhaconhgp3d.fid/' . . . . . . . 15849 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2799_MrR110B_hbhaconhgp3d.fid/' . . . . . . . 15849 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2799_MrR110B_hbhaconhgp3d.fid/' . . . . . . . 15849 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2799_MrR110B_hbhaconhgp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-COSY aliphatic' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.152_MrR110B_hcchcogp3d.fid/' . . . . . . . 15849 8 JMA.I.152_MrR110B_hcchcogp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.152_MrR110B_hcchcogp3d.fid/' . . . . . . . 15849 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.152_MrR110B_hcchcogp3d.fid/' . . . . . . . 15849 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.152_MrR110B_hcchcogp3d.fid/' . . . . . . . 15849 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.152_MrR110B_hcchcogp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCSY aliphatic' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9779_MrR110B_hcchdigp3d.fid/' . . . . . . . 15849 9 JMA.I.9779_MrR110B_hcchdigp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9779_MrR110B_hcchdigp3d.fid/' . . . . . . . 15849 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9779_MrR110B_hcchdigp3d.fid/' . . . . . . . 15849 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9779_MrR110B_hcchdigp3d.fid/' . . . . . . . 15849 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.9779_MrR110B_hcchdigp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CCH-TOCSY aliphatic' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2090_MrR110B_hcchdigp3d2.fid/' . . . . . . . 15849 10 JMA.I.2090_MrR110B_hcchdigp3d2.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2090_MrR110B_hcchdigp3d2.fid/' . . . . . . . 15849 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2090_MrR110B_hcchdigp3d2.fid/' . . . . . . . 15849 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2090_MrR110B_hcchdigp3d2.fid/' . . . . . . . 15849 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2090_MrR110B_hcchdigp3d2.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D simultaneous CN 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2511_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2511_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2511_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2511_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 12 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid/' . . . . . . . 15849 12 JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid/' . . . . . . . 15849 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid/' . . . . . . . 15849 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid/' . . . . . . . 15849 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.1367_MrR110B_noesyhsqcetgp3d.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D simultaneous CN 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 13 JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 13 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 13 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.8404_MrR110B_noesyhsqcgpsm3d.2_new2.fid/' . . . . . . . 15849 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 15849 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-13C HSQC high res. (L/V stereoassignment)' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2768_MrR110B_hsqcetgp.fid/' . . . . . . . 15849 14 JMA.I.2768_MrR110B_hsqcetgp.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2768_MrR110B_hsqcetgp.fid/' . . . . . . . 15849 14 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2768_MrR110B_hsqcetgp.fid/' . . . . . . . 15849 14 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2768_MrR110B_hsqcetgp.fid/' . . . . . . . 15849 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2768_MrR110B_hsqcetgp.fid/' . . . . . . . 15849 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 15849 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 1H-15N hetNOE' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2522_MrR110B_hsqcnoef3gpsi.fid/' . . . . . . . 15849 15 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2522_MrR110B_hsqcnoef3gpsi.fid/' . . . . . . . 15849 15 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2522_MrR110B_hsqcnoef3gpsi.fid/' . . . . . . . 15849 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2522_MrR110B_hsqcnoef3gpsi.fid/' . . . . . . . 15849 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 15849 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '2D 1H-15N T1' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.4079_MrR110B_hsqct1etf3gpsi3d.fid/' . . . . . . . 15849 16 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.4079_MrR110B_hsqct1etf3gpsi3d.fid/' . . . . . . . 15849 16 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.4079_MrR110B_hsqct1etf3gpsi3d.fid/' . . . . . . . 15849 16 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.4079_MrR110B_hsqct1etf3gpsi3d.fid/' . . . . . . . 15849 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 15849 _NMR_spec_expt.ID 17 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2772_MrR110B_hsqcctetgpsp.fid/' . . . . . . . 15849 17 JMA.I.2772_MrR110B_hsqcctetgpsp.fid.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2772_MrR110B_hsqcctetgpsp.fid/' . . . . . . . 15849 17 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2772_MrR110B_hsqcctetgpsp.fid/' . . . . . . . 15849 17 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2772_MrR110B_hsqcctetgpsp.fid/' . . . . . . . 15849 17 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.2772_MrR110B_hsqcctetgpsp.fid/' . . . . . . . 15849 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 15849 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '2D 1H-15N T2' _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.743_MrR110B_hsqct2etf3gpsi3d.fid/' . . . . . . . 15849 18 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.743_MrR110B_hsqct2etf3gpsi3d.fid/' . . . . . . . 15849 18 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.743_MrR110B_hsqct2etf3gpsi3d.fid/' . . . . . . . 15849 18 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15849/timedomain_data/JMA.I.743_MrR110B_hsqct2etf3gpsi3d.fid/' . . . . . . . 15849 18 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 15849 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15849 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 15849 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 15849 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 15849 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15849 1 2 '2D 1H-13C HSQC (aliph)' . . . 15849 1 3 '3D HNCO' . . . 15849 1 4 '3D HN(CA)CO' . . . 15849 1 12 '3D simultaneous CN NOESY' . . . 15849 1 15 '2D 1H-13C HSQC high res. (L/V stereoassignment)' . . . 15849 1 18 '2D 1H-13C HSQC (arom)' . . . 15849 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 6 $SPARKY . . 15849 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_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.017 0.015 . 1 . . . 172 MET HA . 15849 1 2 . 1 1 1 1 MET HB2 H 1 2.062 0.015 . 2 . . . 172 MET HB2 . 15849 1 3 . 1 1 1 1 MET HB3 H 1 1.985 0.015 . 2 . . . 172 MET HB3 . 15849 1 4 . 1 1 1 1 MET HE1 H 1 2.011 0.015 . 1 . . . 172 MET HE . 15849 1 5 . 1 1 1 1 MET HE2 H 1 2.011 0.015 . 1 . . . 172 MET HE . 15849 1 6 . 1 1 1 1 MET HE3 H 1 2.011 0.015 . 1 . . . 172 MET HE . 15849 1 7 . 1 1 1 1 MET HG2 H 1 2.456 0.015 . 2 . . . 172 MET HG2 . 15849 1 8 . 1 1 1 1 MET HG3 H 1 2.170 0.015 . 2 . . . 172 MET HG3 . 15849 1 9 . 1 1 1 1 MET C C 13 171.197 0.2 . 1 . . . 172 MET C . 15849 1 10 . 1 1 1 1 MET CA C 13 54.771 0.2 . 1 . . . 172 MET CA . 15849 1 11 . 1 1 1 1 MET CB C 13 32.726 0.2 . 1 . . . 172 MET CB . 15849 1 12 . 1 1 1 1 MET CE C 13 16.794 0.2 . 1 . . . 172 MET CE . 15849 1 13 . 1 1 1 1 MET CG C 13 31.029 0.2 . 1 . . . 172 MET CG . 15849 1 14 . 1 1 2 2 ASN H H 1 8.463 0.015 . 1 . . . 173 ASN H . 15849 1 15 . 1 1 2 2 ASN HA H 1 5.267 0.015 . 1 . . . 173 ASN HA . 15849 1 16 . 1 1 2 2 ASN HB2 H 1 2.632 0.015 . 2 . . . 173 ASN HB2 . 15849 1 17 . 1 1 2 2 ASN HB3 H 1 2.536 0.015 . 2 . . . 173 ASN HB3 . 15849 1 18 . 1 1 2 2 ASN HD21 H 1 7.476 0.015 . 1 . . . 173 ASN HD21 . 15849 1 19 . 1 1 2 2 ASN HD22 H 1 6.855 0.015 . 1 . . . 173 ASN HD22 . 15849 1 20 . 1 1 2 2 ASN C C 13 174.227 0.2 . 1 . . . 173 ASN C . 15849 1 21 . 1 1 2 2 ASN CA C 13 52.632 0.2 . 1 . . . 173 ASN CA . 15849 1 22 . 1 1 2 2 ASN CB C 13 39.376 0.2 . 1 . . . 173 ASN CB . 15849 1 23 . 1 1 2 2 ASN CG C 13 176.802 0.2 . 1 . . . 173 ASN CG . 15849 1 24 . 1 1 2 2 ASN N N 15 123.179 0.2 . 1 . . . 173 ASN N . 15849 1 25 . 1 1 2 2 ASN ND2 N 15 112.342 0.2 . 1 . . . 173 ASN ND2 . 15849 1 26 . 1 1 3 3 TYR H H 1 8.841 0.015 . 1 . . . 174 TYR H . 15849 1 27 . 1 1 3 3 TYR HA H 1 4.761 0.015 . 1 . . . 174 TYR HA . 15849 1 28 . 1 1 3 3 TYR HB2 H 1 3.183 0.015 . 2 . . . 174 TYR HB2 . 15849 1 29 . 1 1 3 3 TYR HB3 H 1 2.121 0.015 . 2 . . . 174 TYR HB3 . 15849 1 30 . 1 1 3 3 TYR HD1 H 1 6.917 0.015 . 3 . . . 174 TYR HD1 . 15849 1 31 . 1 1 3 3 TYR HD2 H 1 6.917 0.015 . 3 . . . 174 TYR HD2 . 15849 1 32 . 1 1 3 3 TYR HE1 H 1 6.800 0.015 . 3 . . . 174 TYR HE1 . 15849 1 33 . 1 1 3 3 TYR HE2 H 1 6.800 0.015 . 3 . . . 174 TYR HE2 . 15849 1 34 . 1 1 3 3 TYR C C 13 176.995 0.2 . 1 . . . 174 TYR C . 15849 1 35 . 1 1 3 3 TYR CA C 13 57.652 0.2 . 1 . . . 174 TYR CA . 15849 1 36 . 1 1 3 3 TYR CB C 13 42.984 0.2 . 1 . . . 174 TYR CB . 15849 1 37 . 1 1 3 3 TYR CD1 C 13 132.912 0.2 . 3 . . . 174 TYR CD1 . 15849 1 38 . 1 1 3 3 TYR CD2 C 13 132.912 0.2 . 3 . . . 174 TYR CD2 . 15849 1 39 . 1 1 3 3 TYR CE1 C 13 117.910 0.2 . 3 . . . 174 TYR CE1 . 15849 1 40 . 1 1 3 3 TYR CE2 C 13 117.910 0.2 . 3 . . . 174 TYR CE2 . 15849 1 41 . 1 1 3 3 TYR N N 15 120.086 0.2 . 1 . . . 174 TYR N . 15849 1 42 . 1 1 4 4 LYS H H 1 8.789 0.015 . 1 . . . 175 LYS H . 15849 1 43 . 1 1 4 4 LYS HA H 1 4.550 0.015 . 1 . . . 175 LYS HA . 15849 1 44 . 1 1 4 4 LYS HB2 H 1 2.407 0.015 . 2 . . . 175 LYS HB2 . 15849 1 45 . 1 1 4 4 LYS HB3 H 1 1.562 0.015 . 2 . . . 175 LYS HB3 . 15849 1 46 . 1 1 4 4 LYS HD2 H 1 1.798 0.015 . 2 . . . 175 LYS HD2 . 15849 1 47 . 1 1 4 4 LYS HD3 H 1 1.609 0.015 . 2 . . . 175 LYS HD3 . 15849 1 48 . 1 1 4 4 LYS HE2 H 1 2.999 0.015 . 2 . . . 175 LYS HE2 . 15849 1 49 . 1 1 4 4 LYS HE3 H 1 3.000 0.015 . 2 . . . 175 LYS HE3 . 15849 1 50 . 1 1 4 4 LYS HG2 H 1 1.547 0.015 . 2 . . . 175 LYS HG2 . 15849 1 51 . 1 1 4 4 LYS HG3 H 1 1.547 0.015 . 2 . . . 175 LYS HG3 . 15849 1 52 . 1 1 4 4 LYS C C 13 179.049 0.2 . 1 . . . 175 LYS C . 15849 1 53 . 1 1 4 4 LYS CA C 13 53.898 0.2 . 1 . . . 175 LYS CA . 15849 1 54 . 1 1 4 4 LYS CB C 13 32.017 0.2 . 1 . . . 175 LYS CB . 15849 1 55 . 1 1 4 4 LYS CD C 13 27.930 0.2 . 1 . . . 175 LYS CD . 15849 1 56 . 1 1 4 4 LYS CE C 13 42.170 0.2 . 1 . . . 175 LYS CE . 15849 1 57 . 1 1 4 4 LYS CG C 13 24.489 0.2 . 1 . . . 175 LYS CG . 15849 1 58 . 1 1 4 4 LYS N N 15 120.118 0.2 . 1 . . . 175 LYS N . 15849 1 59 . 1 1 5 5 ILE H H 1 10.387 0.015 . 1 . . . 176 ILE H . 15849 1 60 . 1 1 5 5 ILE HA H 1 3.306 0.015 . 1 . . . 176 ILE HA . 15849 1 61 . 1 1 5 5 ILE HB H 1 1.636 0.015 . 1 . . . 176 ILE HB . 15849 1 62 . 1 1 5 5 ILE HD11 H 1 0.666 0.015 . 1 . . . 176 ILE HD1 . 15849 1 63 . 1 1 5 5 ILE HD12 H 1 0.666 0.015 . 1 . . . 176 ILE HD1 . 15849 1 64 . 1 1 5 5 ILE HD13 H 1 0.666 0.015 . 1 . . . 176 ILE HD1 . 15849 1 65 . 1 1 5 5 ILE HG12 H 1 1.703 0.015 . 2 . . . 176 ILE HG12 . 15849 1 66 . 1 1 5 5 ILE HG13 H 1 0.553 0.015 . 2 . . . 176 ILE HG13 . 15849 1 67 . 1 1 5 5 ILE HG21 H 1 0.490 0.015 . 1 . . . 176 ILE HG2 . 15849 1 68 . 1 1 5 5 ILE HG22 H 1 0.490 0.015 . 1 . . . 176 ILE HG2 . 15849 1 69 . 1 1 5 5 ILE HG23 H 1 0.490 0.015 . 1 . . . 176 ILE HG2 . 15849 1 70 . 1 1 5 5 ILE C C 13 179.084 0.2 . 1 . . . 176 ILE C . 15849 1 71 . 1 1 5 5 ILE CA C 13 66.840 0.2 . 1 . . . 176 ILE CA . 15849 1 72 . 1 1 5 5 ILE CB C 13 36.598 0.2 . 1 . . . 176 ILE CB . 15849 1 73 . 1 1 5 5 ILE CD1 C 13 13.853 0.2 . 1 . . . 176 ILE CD1 . 15849 1 74 . 1 1 5 5 ILE CG1 C 13 32.516 0.2 . 1 . . . 176 ILE CG1 . 15849 1 75 . 1 1 5 5 ILE CG2 C 13 17.612 0.2 . 1 . . . 176 ILE CG2 . 15849 1 76 . 1 1 5 5 ILE N N 15 126.013 0.2 . 1 . . . 176 ILE N . 15849 1 77 . 1 1 6 6 SER H H 1 8.986 0.015 . 1 . . . 177 SER H . 15849 1 78 . 1 1 6 6 SER HA H 1 4.087 0.015 . 1 . . . 177 SER HA . 15849 1 79 . 1 1 6 6 SER HB2 H 1 4.072 0.015 . 2 . . . 177 SER HB2 . 15849 1 80 . 1 1 6 6 SER HB3 H 1 3.731 0.015 . 2 . . . 177 SER HB3 . 15849 1 81 . 1 1 6 6 SER C C 13 175.744 0.2 . 1 . . . 177 SER C . 15849 1 82 . 1 1 6 6 SER CA C 13 60.449 0.2 . 1 . . . 177 SER CA . 15849 1 83 . 1 1 6 6 SER CB C 13 62.537 0.2 . 1 . . . 177 SER CB . 15849 1 84 . 1 1 6 6 SER N N 15 115.336 0.2 . 1 . . . 177 SER N . 15849 1 85 . 1 1 7 7 GLU H H 1 7.790 0.015 . 1 . . . 178 GLU H . 15849 1 86 . 1 1 7 7 GLU HA H 1 4.254 0.015 . 1 . . . 178 GLU HA . 15849 1 87 . 1 1 7 7 GLU HB2 H 1 2.486 0.015 . 2 . . . 178 GLU HB2 . 15849 1 88 . 1 1 7 7 GLU HB3 H 1 2.262 0.015 . 2 . . . 178 GLU HB3 . 15849 1 89 . 1 1 7 7 GLU HG2 H 1 2.286 0.015 . 2 . . . 178 GLU HG2 . 15849 1 90 . 1 1 7 7 GLU HG3 H 1 2.286 0.015 . 2 . . . 178 GLU HG3 . 15849 1 91 . 1 1 7 7 GLU C C 13 176.407 0.2 . 1 . . . 178 GLU C . 15849 1 92 . 1 1 7 7 GLU CA C 13 56.032 0.2 . 1 . . . 178 GLU CA . 15849 1 93 . 1 1 7 7 GLU CB C 13 31.225 0.2 . 1 . . . 178 GLU CB . 15849 1 94 . 1 1 7 7 GLU CG C 13 37.223 0.2 . 1 . . . 178 GLU CG . 15849 1 95 . 1 1 7 7 GLU N N 15 120.530 0.2 . 1 . . . 178 GLU N . 15849 1 96 . 1 1 8 8 LEU H H 1 7.258 0.015 . 1 . . . 179 LEU H . 15849 1 97 . 1 1 8 8 LEU HA H 1 3.595 0.015 . 1 . . . 179 LEU HA . 15849 1 98 . 1 1 8 8 LEU HB2 H 1 1.772 0.015 . 2 . . . 179 LEU HB2 . 15849 1 99 . 1 1 8 8 LEU HB3 H 1 0.956 0.015 . 2 . . . 179 LEU HB3 . 15849 1 100 . 1 1 8 8 LEU HD11 H 1 0.681 0.015 . 1 . . . 179 LEU HD1 . 15849 1 101 . 1 1 8 8 LEU HD12 H 1 0.681 0.015 . 1 . . . 179 LEU HD1 . 15849 1 102 . 1 1 8 8 LEU HD13 H 1 0.681 0.015 . 1 . . . 179 LEU HD1 . 15849 1 103 . 1 1 8 8 LEU HD21 H 1 0.240 0.015 . 1 . . . 179 LEU HD2 . 15849 1 104 . 1 1 8 8 LEU HD22 H 1 0.240 0.015 . 1 . . . 179 LEU HD2 . 15849 1 105 . 1 1 8 8 LEU HD23 H 1 0.240 0.015 . 1 . . . 179 LEU HD2 . 15849 1 106 . 1 1 8 8 LEU HG H 1 1.839 0.015 . 1 . . . 179 LEU HG . 15849 1 107 . 1 1 8 8 LEU C C 13 175.074 0.2 . 1 . . . 179 LEU C . 15849 1 108 . 1 1 8 8 LEU CA C 13 55.412 0.2 . 1 . . . 179 LEU CA . 15849 1 109 . 1 1 8 8 LEU CB C 13 41.939 0.2 . 1 . . . 179 LEU CB . 15849 1 110 . 1 1 8 8 LEU CD1 C 13 26.660 0.2 . 1 . . . 179 LEU CD1 . 15849 1 111 . 1 1 8 8 LEU CD2 C 13 21.357 0.2 . 1 . . . 179 LEU CD2 . 15849 1 112 . 1 1 8 8 LEU CG C 13 25.764 0.2 . 1 . . . 179 LEU CG . 15849 1 113 . 1 1 8 8 LEU N N 15 116.521 0.2 . 1 . . . 179 LEU N . 15849 1 114 . 1 1 9 9 MET H H 1 6.468 0.015 . 1 . . . 180 MET H . 15849 1 115 . 1 1 9 9 MET HA H 1 4.734 0.015 . 1 . . . 180 MET HA . 15849 1 116 . 1 1 9 9 MET HB2 H 1 2.047 0.015 . 2 . . . 180 MET HB2 . 15849 1 117 . 1 1 9 9 MET HB3 H 1 1.691 0.015 . 2 . . . 180 MET HB3 . 15849 1 118 . 1 1 9 9 MET HE1 H 1 2.084 0.015 . 1 . . . 180 MET HE . 15849 1 119 . 1 1 9 9 MET HE2 H 1 2.084 0.015 . 1 . . . 180 MET HE . 15849 1 120 . 1 1 9 9 MET HE3 H 1 2.084 0.015 . 1 . . . 180 MET HE . 15849 1 121 . 1 1 9 9 MET HG2 H 1 2.470 0.015 . 2 . . . 180 MET HG2 . 15849 1 122 . 1 1 9 9 MET HG3 H 1 2.399 0.015 . 2 . . . 180 MET HG3 . 15849 1 123 . 1 1 9 9 MET C C 13 171.512 0.2 . 1 . . . 180 MET C . 15849 1 124 . 1 1 9 9 MET CA C 13 52.425 0.2 . 1 . . . 180 MET CA . 15849 1 125 . 1 1 9 9 MET CB C 13 34.417 0.2 . 1 . . . 180 MET CB . 15849 1 126 . 1 1 9 9 MET CE C 13 17.197 0.2 . 1 . . . 180 MET CE . 15849 1 127 . 1 1 9 9 MET CG C 13 31.409 0.2 . 1 . . . 180 MET CG . 15849 1 128 . 1 1 9 9 MET N N 15 116.450 0.2 . 1 . . . 180 MET N . 15849 1 129 . 1 1 10 10 PRO HA H 1 3.771 0.015 . 1 . . . 181 PRO HA . 15849 1 130 . 1 1 10 10 PRO HB2 H 1 2.153 0.015 . 2 . . . 181 PRO HB2 . 15849 1 131 . 1 1 10 10 PRO HB3 H 1 1.870 0.015 . 2 . . . 181 PRO HB3 . 15849 1 132 . 1 1 10 10 PRO HD2 H 1 3.695 0.015 . 2 . . . 181 PRO HD2 . 15849 1 133 . 1 1 10 10 PRO HD3 H 1 3.572 0.015 . 2 . . . 181 PRO HD3 . 15849 1 134 . 1 1 10 10 PRO HG2 H 1 2.145 0.015 . 2 . . . 181 PRO HG2 . 15849 1 135 . 1 1 10 10 PRO HG3 H 1 1.737 0.015 . 2 . . . 181 PRO HG3 . 15849 1 136 . 1 1 10 10 PRO C C 13 175.996 0.2 . 1 . . . 181 PRO C . 15849 1 137 . 1 1 10 10 PRO CA C 13 63.680 0.2 . 1 . . . 181 PRO CA . 15849 1 138 . 1 1 10 10 PRO CB C 13 31.982 0.2 . 1 . . . 181 PRO CB . 15849 1 139 . 1 1 10 10 PRO CD C 13 50.234 0.2 . 1 . . . 181 PRO CD . 15849 1 140 . 1 1 10 10 PRO CG C 13 28.056 0.2 . 1 . . . 181 PRO CG . 15849 1 141 . 1 1 11 11 ASN H H 1 8.810 0.015 . 1 . . . 182 ASN H . 15849 1 142 . 1 1 11 11 ASN HA H 1 4.203 0.015 . 1 . . . 182 ASN HA . 15849 1 143 . 1 1 11 11 ASN HB2 H 1 3.181 0.015 . 2 . . . 182 ASN HB2 . 15849 1 144 . 1 1 11 11 ASN HB3 H 1 3.117 0.015 . 2 . . . 182 ASN HB3 . 15849 1 145 . 1 1 11 11 ASN HD21 H 1 7.687 0.015 . 1 . . . 182 ASN HD21 . 15849 1 146 . 1 1 11 11 ASN HD22 H 1 7.076 0.015 . 1 . . . 182 ASN HD22 . 15849 1 147 . 1 1 11 11 ASN C C 13 173.628 0.2 . 1 . . . 182 ASN C . 15849 1 148 . 1 1 11 11 ASN CA C 13 54.925 0.2 . 1 . . . 182 ASN CA . 15849 1 149 . 1 1 11 11 ASN CB C 13 36.745 0.2 . 1 . . . 182 ASN CB . 15849 1 150 . 1 1 11 11 ASN CG C 13 178.798 0.2 . 1 . . . 182 ASN CG . 15849 1 151 . 1 1 11 11 ASN N N 15 114.771 0.2 . 1 . . . 182 ASN N . 15849 1 152 . 1 1 11 11 ASN ND2 N 15 114.671 0.2 . 1 . . . 182 ASN ND2 . 15849 1 153 . 1 1 12 12 LEU H H 1 7.161 0.015 . 1 . . . 183 LEU H . 15849 1 154 . 1 1 12 12 LEU HA H 1 4.535 0.015 . 1 . . . 183 LEU HA . 15849 1 155 . 1 1 12 12 LEU HB2 H 1 1.481 0.015 . 2 . . . 183 LEU HB2 . 15849 1 156 . 1 1 12 12 LEU HB3 H 1 1.384 0.015 . 2 . . . 183 LEU HB3 . 15849 1 157 . 1 1 12 12 LEU HD11 H 1 0.708 0.015 . 1 . . . 183 LEU HD1 . 15849 1 158 . 1 1 12 12 LEU HD12 H 1 0.708 0.015 . 1 . . . 183 LEU HD1 . 15849 1 159 . 1 1 12 12 LEU HD13 H 1 0.708 0.015 . 1 . . . 183 LEU HD1 . 15849 1 160 . 1 1 12 12 LEU HD21 H 1 0.571 0.015 . 1 . . . 183 LEU HD2 . 15849 1 161 . 1 1 12 12 LEU HD22 H 1 0.571 0.015 . 1 . . . 183 LEU HD2 . 15849 1 162 . 1 1 12 12 LEU HD23 H 1 0.571 0.015 . 1 . . . 183 LEU HD2 . 15849 1 163 . 1 1 12 12 LEU HG H 1 1.470 0.015 . 1 . . . 183 LEU HG . 15849 1 164 . 1 1 12 12 LEU C C 13 175.160 0.2 . 1 . . . 183 LEU C . 15849 1 165 . 1 1 12 12 LEU CA C 13 54.404 0.2 . 1 . . . 183 LEU CA . 15849 1 166 . 1 1 12 12 LEU CB C 13 45.093 0.2 . 1 . . . 183 LEU CB . 15849 1 167 . 1 1 12 12 LEU CD1 C 13 24.787 0.2 . 1 . . . 183 LEU CD1 . 15849 1 168 . 1 1 12 12 LEU CD2 C 13 24.811 0.2 . 1 . . . 183 LEU CD2 . 15849 1 169 . 1 1 12 12 LEU CG C 13 26.428 0.2 . 1 . . . 183 LEU CG . 15849 1 170 . 1 1 12 12 LEU N N 15 119.367 0.2 . 1 . . . 183 LEU N . 15849 1 171 . 1 1 13 13 SER H H 1 8.245 0.015 . 1 . . . 184 SER H . 15849 1 172 . 1 1 13 13 SER HA H 1 5.543 0.015 . 1 . . . 184 SER HA . 15849 1 173 . 1 1 13 13 SER HB2 H 1 3.767 0.015 . 2 . . . 184 SER HB2 . 15849 1 174 . 1 1 13 13 SER HB3 H 1 3.705 0.015 . 2 . . . 184 SER HB3 . 15849 1 175 . 1 1 13 13 SER C C 13 174.446 0.2 . 1 . . . 184 SER C . 15849 1 176 . 1 1 13 13 SER CA C 13 56.434 0.2 . 1 . . . 184 SER CA . 15849 1 177 . 1 1 13 13 SER CB C 13 64.900 0.2 . 1 . . . 184 SER CB . 15849 1 178 . 1 1 13 13 SER N N 15 116.161 0.2 . 1 . . . 184 SER N . 15849 1 179 . 1 1 14 14 GLY H H 1 8.559 0.015 . 1 . . . 185 GLY H . 15849 1 180 . 1 1 14 14 GLY HA2 H 1 4.574 0.015 . 2 . . . 185 GLY HA2 . 15849 1 181 . 1 1 14 14 GLY HA3 H 1 4.107 0.015 . 2 . . . 185 GLY HA3 . 15849 1 182 . 1 1 14 14 GLY C C 13 170.848 0.2 . 1 . . . 185 GLY C . 15849 1 183 . 1 1 14 14 GLY CA C 13 45.998 0.2 . 1 . . . 185 GLY CA . 15849 1 184 . 1 1 14 14 GLY N N 15 110.197 0.2 . 1 . . . 185 GLY N . 15849 1 185 . 1 1 15 15 THR H H 1 8.296 0.015 . 1 . . . 186 THR H . 15849 1 186 . 1 1 15 15 THR HA H 1 5.536 0.015 . 1 . . . 186 THR HA . 15849 1 187 . 1 1 15 15 THR HB H 1 3.835 0.015 . 1 . . . 186 THR HB . 15849 1 188 . 1 1 15 15 THR HG21 H 1 1.078 0.015 . 1 . . . 186 THR HG2 . 15849 1 189 . 1 1 15 15 THR HG22 H 1 1.078 0.015 . 1 . . . 186 THR HG2 . 15849 1 190 . 1 1 15 15 THR HG23 H 1 1.078 0.015 . 1 . . . 186 THR HG2 . 15849 1 191 . 1 1 15 15 THR C C 13 173.498 0.2 . 1 . . . 186 THR C . 15849 1 192 . 1 1 15 15 THR CA C 13 61.739 0.2 . 1 . . . 186 THR CA . 15849 1 193 . 1 1 15 15 THR CB C 13 71.682 0.2 . 1 . . . 186 THR CB . 15849 1 194 . 1 1 15 15 THR CG2 C 13 22.350 0.2 . 1 . . . 186 THR CG2 . 15849 1 195 . 1 1 15 15 THR N N 15 116.140 0.2 . 1 . . . 186 THR N . 15849 1 196 . 1 1 16 16 ILE H H 1 9.269 0.015 . 1 . . . 187 ILE H . 15849 1 197 . 1 1 16 16 ILE HA H 1 5.055 0.015 . 1 . . . 187 ILE HA . 15849 1 198 . 1 1 16 16 ILE HB H 1 1.903 0.015 . 1 . . . 187 ILE HB . 15849 1 199 . 1 1 16 16 ILE HD11 H 1 0.553 0.015 . 1 . . . 187 ILE HD1 . 15849 1 200 . 1 1 16 16 ILE HD12 H 1 0.553 0.015 . 1 . . . 187 ILE HD1 . 15849 1 201 . 1 1 16 16 ILE HD13 H 1 0.553 0.015 . 1 . . . 187 ILE HD1 . 15849 1 202 . 1 1 16 16 ILE HG12 H 1 1.307 0.015 . 2 . . . 187 ILE HG12 . 15849 1 203 . 1 1 16 16 ILE HG13 H 1 1.065 0.015 . 2 . . . 187 ILE HG13 . 15849 1 204 . 1 1 16 16 ILE HG21 H 1 0.776 0.015 . 1 . . . 187 ILE HG2 . 15849 1 205 . 1 1 16 16 ILE HG22 H 1 0.776 0.015 . 1 . . . 187 ILE HG2 . 15849 1 206 . 1 1 16 16 ILE HG23 H 1 0.776 0.015 . 1 . . . 187 ILE HG2 . 15849 1 207 . 1 1 16 16 ILE C C 13 174.191 0.2 . 1 . . . 187 ILE C . 15849 1 208 . 1 1 16 16 ILE CA C 13 59.046 0.2 . 1 . . . 187 ILE CA . 15849 1 209 . 1 1 16 16 ILE CB C 13 41.625 0.2 . 1 . . . 187 ILE CB . 15849 1 210 . 1 1 16 16 ILE CD1 C 13 14.331 0.2 . 1 . . . 187 ILE CD1 . 15849 1 211 . 1 1 16 16 ILE CG1 C 13 26.197 0.2 . 1 . . . 187 ILE CG1 . 15849 1 212 . 1 1 16 16 ILE CG2 C 13 17.508 0.2 . 1 . . . 187 ILE CG2 . 15849 1 213 . 1 1 16 16 ILE N N 15 118.939 0.2 . 1 . . . 187 ILE N . 15849 1 214 . 1 1 17 17 ASN H H 1 8.962 0.015 . 1 . . . 188 ASN H . 15849 1 215 . 1 1 17 17 ASN HA H 1 5.554 0.015 . 1 . . . 188 ASN HA . 15849 1 216 . 1 1 17 17 ASN HB2 H 1 2.682 0.015 . 2 . . . 188 ASN HB2 . 15849 1 217 . 1 1 17 17 ASN HB3 H 1 2.486 0.015 . 2 . . . 188 ASN HB3 . 15849 1 218 . 1 1 17 17 ASN HD21 H 1 7.302 0.015 . 1 . . . 188 ASN HD21 . 15849 1 219 . 1 1 17 17 ASN HD22 H 1 6.848 0.015 . 1 . . . 188 ASN HD22 . 15849 1 220 . 1 1 17 17 ASN C C 13 173.926 0.2 . 1 . . . 188 ASN C . 15849 1 221 . 1 1 17 17 ASN CA C 13 52.512 0.2 . 1 . . . 188 ASN CA . 15849 1 222 . 1 1 17 17 ASN CB C 13 40.602 0.2 . 1 . . . 188 ASN CB . 15849 1 223 . 1 1 17 17 ASN CG C 13 176.690 0.2 . 1 . . . 188 ASN CG . 15849 1 224 . 1 1 17 17 ASN N N 15 122.622 0.2 . 1 . . . 188 ASN N . 15849 1 225 . 1 1 17 17 ASN ND2 N 15 109.841 0.2 . 1 . . . 188 ASN ND2 . 15849 1 226 . 1 1 18 18 ALA H H 1 9.124 0.015 . 1 . . . 189 ALA H . 15849 1 227 . 1 1 18 18 ALA HA H 1 4.908 0.015 . 1 . . . 189 ALA HA . 15849 1 228 . 1 1 18 18 ALA HB1 H 1 1.189 0.015 . 1 . . . 189 ALA HB . 15849 1 229 . 1 1 18 18 ALA HB2 H 1 1.189 0.015 . 1 . . . 189 ALA HB . 15849 1 230 . 1 1 18 18 ALA HB3 H 1 1.189 0.015 . 1 . . . 189 ALA HB . 15849 1 231 . 1 1 18 18 ALA C C 13 174.207 0.2 . 1 . . . 189 ALA C . 15849 1 232 . 1 1 18 18 ALA CA C 13 50.697 0.2 . 1 . . . 189 ALA CA . 15849 1 233 . 1 1 18 18 ALA CB C 13 24.641 0.2 . 1 . . . 189 ALA CB . 15849 1 234 . 1 1 18 18 ALA N N 15 124.290 0.2 . 1 . . . 189 ALA N . 15849 1 235 . 1 1 19 19 GLU H H 1 9.039 0.015 . 1 . . . 190 GLU H . 15849 1 236 . 1 1 19 19 GLU HA H 1 4.814 0.015 . 1 . . . 190 GLU HA . 15849 1 237 . 1 1 19 19 GLU HB2 H 1 1.942 0.015 . 2 . . . 190 GLU HB2 . 15849 1 238 . 1 1 19 19 GLU HB3 H 1 1.935 0.015 . 2 . . . 190 GLU HB3 . 15849 1 239 . 1 1 19 19 GLU HG2 H 1 2.052 0.015 . 2 . . . 190 GLU HG2 . 15849 1 240 . 1 1 19 19 GLU HG3 H 1 2.052 0.015 . 2 . . . 190 GLU HG3 . 15849 1 241 . 1 1 19 19 GLU C C 13 176.585 0.2 . 1 . . . 190 GLU C . 15849 1 242 . 1 1 19 19 GLU CA C 13 54.930 0.2 . 1 . . . 190 GLU CA . 15849 1 243 . 1 1 19 19 GLU CB C 13 31.588 0.2 . 1 . . . 190 GLU CB . 15849 1 244 . 1 1 19 19 GLU CG C 13 36.133 0.2 . 1 . . . 190 GLU CG . 15849 1 245 . 1 1 19 19 GLU N N 15 121.340 0.2 . 1 . . . 190 GLU N . 15849 1 246 . 1 1 20 20 VAL H H 1 9.261 0.015 . 1 . . . 191 VAL H . 15849 1 247 . 1 1 20 20 VAL HA H 1 4.170 0.015 . 1 . . . 191 VAL HA . 15849 1 248 . 1 1 20 20 VAL HB H 1 2.433 0.015 . 1 . . . 191 VAL HB . 15849 1 249 . 1 1 20 20 VAL HG11 H 1 0.692 0.015 . 1 . . . 191 VAL HG1 . 15849 1 250 . 1 1 20 20 VAL HG12 H 1 0.692 0.015 . 1 . . . 191 VAL HG1 . 15849 1 251 . 1 1 20 20 VAL HG13 H 1 0.692 0.015 . 1 . . . 191 VAL HG1 . 15849 1 252 . 1 1 20 20 VAL HG21 H 1 0.821 0.015 . 1 . . . 191 VAL HG2 . 15849 1 253 . 1 1 20 20 VAL HG22 H 1 0.821 0.015 . 1 . . . 191 VAL HG2 . 15849 1 254 . 1 1 20 20 VAL HG23 H 1 0.821 0.015 . 1 . . . 191 VAL HG2 . 15849 1 255 . 1 1 20 20 VAL C C 13 176.244 0.2 . 1 . . . 191 VAL C . 15849 1 256 . 1 1 20 20 VAL CA C 13 62.905 0.2 . 1 . . . 191 VAL CA . 15849 1 257 . 1 1 20 20 VAL CB C 13 30.719 0.2 . 1 . . . 191 VAL CB . 15849 1 258 . 1 1 20 20 VAL CG1 C 13 22.153 0.2 . 1 . . . 191 VAL CG1 . 15849 1 259 . 1 1 20 20 VAL CG2 C 13 20.574 0.2 . 1 . . . 191 VAL CG2 . 15849 1 260 . 1 1 20 20 VAL N N 15 126.296 0.2 . 1 . . . 191 VAL N . 15849 1 261 . 1 1 21 21 VAL H H 1 9.145 0.015 . 1 . . . 192 VAL H . 15849 1 262 . 1 1 21 21 VAL HA H 1 4.149 0.015 . 1 . . . 192 VAL HA . 15849 1 263 . 1 1 21 21 VAL HB H 1 1.999 0.015 . 1 . . . 192 VAL HB . 15849 1 264 . 1 1 21 21 VAL HG11 H 1 0.959 0.015 . 1 . . . 192 VAL HG1 . 15849 1 265 . 1 1 21 21 VAL HG12 H 1 0.959 0.015 . 1 . . . 192 VAL HG1 . 15849 1 266 . 1 1 21 21 VAL HG13 H 1 0.959 0.015 . 1 . . . 192 VAL HG1 . 15849 1 267 . 1 1 21 21 VAL HG21 H 1 0.871 0.015 . 1 . . . 192 VAL HG2 . 15849 1 268 . 1 1 21 21 VAL HG22 H 1 0.871 0.015 . 1 . . . 192 VAL HG2 . 15849 1 269 . 1 1 21 21 VAL HG23 H 1 0.871 0.015 . 1 . . . 192 VAL HG2 . 15849 1 270 . 1 1 21 21 VAL C C 13 175.818 0.2 . 1 . . . 192 VAL C . 15849 1 271 . 1 1 21 21 VAL CA C 13 63.590 0.2 . 1 . . . 192 VAL CA . 15849 1 272 . 1 1 21 21 VAL CB C 13 32.532 0.2 . 1 . . . 192 VAL CB . 15849 1 273 . 1 1 21 21 VAL CG1 C 13 21.689 0.2 . 1 . . . 192 VAL CG1 . 15849 1 274 . 1 1 21 21 VAL CG2 C 13 21.608 0.2 . 1 . . . 192 VAL CG2 . 15849 1 275 . 1 1 21 21 VAL N N 15 130.990 0.2 . 1 . . . 192 VAL N . 15849 1 276 . 1 1 22 22 ALA H H 1 7.767 0.015 . 1 . . . 193 ALA H . 15849 1 277 . 1 1 22 22 ALA HA H 1 4.358 0.015 . 1 . . . 193 ALA HA . 15849 1 278 . 1 1 22 22 ALA HB1 H 1 1.205 0.015 . 1 . . . 193 ALA HB . 15849 1 279 . 1 1 22 22 ALA HB2 H 1 1.205 0.015 . 1 . . . 193 ALA HB . 15849 1 280 . 1 1 22 22 ALA HB3 H 1 1.205 0.015 . 1 . . . 193 ALA HB . 15849 1 281 . 1 1 22 22 ALA C C 13 174.363 0.2 . 1 . . . 193 ALA C . 15849 1 282 . 1 1 22 22 ALA CA C 13 52.283 0.2 . 1 . . . 193 ALA CA . 15849 1 283 . 1 1 22 22 ALA CB C 13 22.673 0.2 . 1 . . . 193 ALA CB . 15849 1 284 . 1 1 22 22 ALA N N 15 118.623 0.2 . 1 . . . 193 ALA N . 15849 1 285 . 1 1 23 23 ALA H H 1 8.497 0.015 . 1 . . . 194 ALA H . 15849 1 286 . 1 1 23 23 ALA HA H 1 4.758 0.015 . 1 . . . 194 ALA HA . 15849 1 287 . 1 1 23 23 ALA HB1 H 1 1.119 0.015 . 1 . . . 194 ALA HB . 15849 1 288 . 1 1 23 23 ALA HB2 H 1 1.119 0.015 . 1 . . . 194 ALA HB . 15849 1 289 . 1 1 23 23 ALA HB3 H 1 1.119 0.015 . 1 . . . 194 ALA HB . 15849 1 290 . 1 1 23 23 ALA C C 13 175.197 0.2 . 1 . . . 194 ALA C . 15849 1 291 . 1 1 23 23 ALA CA C 13 51.244 0.2 . 1 . . . 194 ALA CA . 15849 1 292 . 1 1 23 23 ALA CB C 13 21.158 0.2 . 1 . . . 194 ALA CB . 15849 1 293 . 1 1 23 23 ALA N N 15 124.528 0.2 . 1 . . . 194 ALA N . 15849 1 294 . 1 1 24 24 TYR H H 1 8.102 0.015 . 1 . . . 195 TYR H . 15849 1 295 . 1 1 24 24 TYR HA H 1 4.787 0.015 . 1 . . . 195 TYR HA . 15849 1 296 . 1 1 24 24 TYR HB2 H 1 3.233 0.015 . 2 . . . 195 TYR HB2 . 15849 1 297 . 1 1 24 24 TYR HB3 H 1 3.023 0.015 . 2 . . . 195 TYR HB3 . 15849 1 298 . 1 1 24 24 TYR HD1 H 1 7.092 0.015 . 3 . . . 195 TYR HD1 . 15849 1 299 . 1 1 24 24 TYR HD2 H 1 7.092 0.015 . 3 . . . 195 TYR HD2 . 15849 1 300 . 1 1 24 24 TYR HE1 H 1 6.664 0.015 . 3 . . . 195 TYR HE1 . 15849 1 301 . 1 1 24 24 TYR HE2 H 1 6.664 0.015 . 3 . . . 195 TYR HE2 . 15849 1 302 . 1 1 24 24 TYR C C 13 173.124 0.2 . 1 . . . 195 TYR C . 15849 1 303 . 1 1 24 24 TYR CA C 13 57.008 0.2 . 1 . . . 195 TYR CA . 15849 1 304 . 1 1 24 24 TYR CB C 13 37.376 0.2 . 1 . . . 195 TYR CB . 15849 1 305 . 1 1 24 24 TYR CD1 C 13 132.659 0.2 . 3 . . . 195 TYR CD1 . 15849 1 306 . 1 1 24 24 TYR CD2 C 13 132.659 0.2 . 3 . . . 195 TYR CD2 . 15849 1 307 . 1 1 24 24 TYR CE1 C 13 118.138 0.2 . 3 . . . 195 TYR CE1 . 15849 1 308 . 1 1 24 24 TYR CE2 C 13 118.138 0.2 . 3 . . . 195 TYR CE2 . 15849 1 309 . 1 1 24 24 TYR N N 15 124.067 0.2 . 1 . . . 195 TYR N . 15849 1 310 . 1 1 25 25 PRO HA H 1 4.504 0.015 . 1 . . . 196 PRO HA . 15849 1 311 . 1 1 25 25 PRO HB2 H 1 2.455 0.015 . 2 . . . 196 PRO HB2 . 15849 1 312 . 1 1 25 25 PRO HB3 H 1 1.887 0.015 . 2 . . . 196 PRO HB3 . 15849 1 313 . 1 1 25 25 PRO HD2 H 1 4.019 0.015 . 2 . . . 196 PRO HD2 . 15849 1 314 . 1 1 25 25 PRO HD3 H 1 3.829 0.015 . 2 . . . 196 PRO HD3 . 15849 1 315 . 1 1 25 25 PRO HG2 H 1 2.200 0.015 . 2 . . . 196 PRO HG2 . 15849 1 316 . 1 1 25 25 PRO HG3 H 1 2.102 0.015 . 2 . . . 196 PRO HG3 . 15849 1 317 . 1 1 25 25 PRO C C 13 177.481 0.2 . 1 . . . 196 PRO C . 15849 1 318 . 1 1 25 25 PRO CA C 13 62.781 0.2 . 1 . . . 196 PRO CA . 15849 1 319 . 1 1 25 25 PRO CB C 13 32.106 0.2 . 1 . . . 196 PRO CB . 15849 1 320 . 1 1 25 25 PRO CD C 13 50.612 0.2 . 1 . . . 196 PRO CD . 15849 1 321 . 1 1 25 25 PRO CG C 13 28.139 0.2 . 1 . . . 196 PRO CG . 15849 1 322 . 1 1 26 26 LYS H H 1 8.728 0.015 . 1 . . . 197 LYS H . 15849 1 323 . 1 1 26 26 LYS HA H 1 4.570 0.015 . 1 . . . 197 LYS HA . 15849 1 324 . 1 1 26 26 LYS HB2 H 1 1.761 0.015 . 2 . . . 197 LYS HB2 . 15849 1 325 . 1 1 26 26 LYS HB3 H 1 1.761 0.015 . 2 . . . 197 LYS HB3 . 15849 1 326 . 1 1 26 26 LYS HD2 H 1 1.542 0.015 . 2 . . . 197 LYS HD2 . 15849 1 327 . 1 1 26 26 LYS HD3 H 1 1.276 0.015 . 2 . . . 197 LYS HD3 . 15849 1 328 . 1 1 26 26 LYS HE2 H 1 2.919 0.015 . 2 . . . 197 LYS HE2 . 15849 1 329 . 1 1 26 26 LYS HE3 H 1 2.739 0.015 . 2 . . . 197 LYS HE3 . 15849 1 330 . 1 1 26 26 LYS HG2 H 1 1.328 0.015 . 2 . . . 197 LYS HG2 . 15849 1 331 . 1 1 26 26 LYS HG3 H 1 1.328 0.015 . 2 . . . 197 LYS HG3 . 15849 1 332 . 1 1 26 26 LYS C C 13 175.320 0.2 . 1 . . . 197 LYS C . 15849 1 333 . 1 1 26 26 LYS CA C 13 57.293 0.2 . 1 . . . 197 LYS CA . 15849 1 334 . 1 1 26 26 LYS CB C 13 33.355 0.2 . 1 . . . 197 LYS CB . 15849 1 335 . 1 1 26 26 LYS CD C 13 29.604 0.2 . 1 . . . 197 LYS CD . 15849 1 336 . 1 1 26 26 LYS CE C 13 42.004 0.2 . 1 . . . 197 LYS CE . 15849 1 337 . 1 1 26 26 LYS CG C 13 25.073 0.2 . 1 . . . 197 LYS CG . 15849 1 338 . 1 1 26 26 LYS N N 15 122.955 0.2 . 1 . . . 197 LYS N . 15849 1 339 . 1 1 27 27 LYS H H 1 9.241 0.015 . 1 . . . 198 LYS H . 15849 1 340 . 1 1 27 27 LYS HA H 1 4.795 0.015 . 1 . . . 198 LYS HA . 15849 1 341 . 1 1 27 27 LYS HB2 H 1 1.888 0.015 . 2 . . . 198 LYS HB2 . 15849 1 342 . 1 1 27 27 LYS HB3 H 1 1.742 0.015 . 2 . . . 198 LYS HB3 . 15849 1 343 . 1 1 27 27 LYS HD2 H 1 1.712 0.015 . 2 . . . 198 LYS HD2 . 15849 1 344 . 1 1 27 27 LYS HD3 H 1 1.712 0.015 . 2 . . . 198 LYS HD3 . 15849 1 345 . 1 1 27 27 LYS HE2 H 1 2.989 0.015 . 2 . . . 198 LYS HE2 . 15849 1 346 . 1 1 27 27 LYS HE3 H 1 2.989 0.015 . 2 . . . 198 LYS HE3 . 15849 1 347 . 1 1 27 27 LYS HG2 H 1 1.495 0.015 . 2 . . . 198 LYS HG2 . 15849 1 348 . 1 1 27 27 LYS HG3 H 1 1.495 0.015 . 2 . . . 198 LYS HG3 . 15849 1 349 . 1 1 27 27 LYS C C 13 175.096 0.2 . 1 . . . 198 LYS C . 15849 1 350 . 1 1 27 27 LYS CA C 13 54.728 0.2 . 1 . . . 198 LYS CA . 15849 1 351 . 1 1 27 27 LYS CB C 13 36.069 0.2 . 1 . . . 198 LYS CB . 15849 1 352 . 1 1 27 27 LYS CD C 13 29.169 0.2 . 1 . . . 198 LYS CD . 15849 1 353 . 1 1 27 27 LYS CE C 13 42.182 0.2 . 1 . . . 198 LYS CE . 15849 1 354 . 1 1 27 27 LYS CG C 13 24.544 0.2 . 1 . . . 198 LYS CG . 15849 1 355 . 1 1 27 27 LYS N N 15 124.071 0.2 . 1 . . . 198 LYS N . 15849 1 356 . 1 1 28 28 GLU H H 1 8.547 0.015 . 1 . . . 199 GLU H . 15849 1 357 . 1 1 28 28 GLU HA H 1 5.151 0.015 . 1 . . . 199 GLU HA . 15849 1 358 . 1 1 28 28 GLU HB2 H 1 2.020 0.015 . 2 . . . 199 GLU HB2 . 15849 1 359 . 1 1 28 28 GLU HB3 H 1 2.020 0.015 . 2 . . . 199 GLU HB3 . 15849 1 360 . 1 1 28 28 GLU HG2 H 1 2.294 0.015 . 2 . . . 199 GLU HG2 . 15849 1 361 . 1 1 28 28 GLU HG3 H 1 2.243 0.015 . 2 . . . 199 GLU HG3 . 15849 1 362 . 1 1 28 28 GLU C C 13 175.978 0.2 . 1 . . . 199 GLU C . 15849 1 363 . 1 1 28 28 GLU CA C 13 55.179 0.2 . 1 . . . 199 GLU CA . 15849 1 364 . 1 1 28 28 GLU CB C 13 32.453 0.2 . 1 . . . 199 GLU CB . 15849 1 365 . 1 1 28 28 GLU CG C 13 37.240 0.2 . 1 . . . 199 GLU CG . 15849 1 366 . 1 1 28 28 GLU N N 15 121.689 0.2 . 1 . . . 199 GLU N . 15849 1 367 . 1 1 29 29 PHE H H 1 8.174 0.015 . 1 . . . 200 PHE H . 15849 1 368 . 1 1 29 29 PHE HA H 1 5.053 0.015 . 1 . . . 200 PHE HA . 15849 1 369 . 1 1 29 29 PHE HB2 H 1 3.174 0.015 . 2 . . . 200 PHE HB2 . 15849 1 370 . 1 1 29 29 PHE HB3 H 1 2.967 0.015 . 2 . . . 200 PHE HB3 . 15849 1 371 . 1 1 29 29 PHE HD1 H 1 6.933 0.015 . 3 . . . 200 PHE HD1 . 15849 1 372 . 1 1 29 29 PHE HD2 H 1 6.933 0.015 . 3 . . . 200 PHE HD2 . 15849 1 373 . 1 1 29 29 PHE HE1 H 1 7.341 0.015 . 3 . . . 200 PHE HE1 . 15849 1 374 . 1 1 29 29 PHE HE2 H 1 7.341 0.015 . 3 . . . 200 PHE HE2 . 15849 1 375 . 1 1 29 29 PHE HZ H 1 7.561 0.015 . 1 . . . 200 PHE HZ . 15849 1 376 . 1 1 29 29 PHE C C 13 173.242 0.2 . 1 . . . 200 PHE C . 15849 1 377 . 1 1 29 29 PHE CA C 13 56.071 0.2 . 1 . . . 200 PHE CA . 15849 1 378 . 1 1 29 29 PHE CB C 13 41.617 0.2 . 1 . . . 200 PHE CB . 15849 1 379 . 1 1 29 29 PHE CD1 C 13 132.509 0.2 . 3 . . . 200 PHE CD1 . 15849 1 380 . 1 1 29 29 PHE CD2 C 13 132.509 0.2 . 3 . . . 200 PHE CD2 . 15849 1 381 . 1 1 29 29 PHE CE1 C 13 131.108 0.2 . 3 . . . 200 PHE CE1 . 15849 1 382 . 1 1 29 29 PHE CE2 C 13 131.108 0.2 . 3 . . . 200 PHE CE2 . 15849 1 383 . 1 1 29 29 PHE CZ C 13 129.952 0.2 . 1 . . . 200 PHE CZ . 15849 1 384 . 1 1 29 29 PHE N N 15 119.486 0.2 . 1 . . . 200 PHE N . 15849 1 385 . 1 1 30 30 SER H H 1 8.793 0.015 . 1 . . . 201 SER H . 15849 1 386 . 1 1 30 30 SER HA H 1 4.938 0.015 . 1 . . . 201 SER HA . 15849 1 387 . 1 1 30 30 SER HB2 H 1 3.837 0.015 . 2 . . . 201 SER HB2 . 15849 1 388 . 1 1 30 30 SER HB3 H 1 3.767 0.015 . 2 . . . 201 SER HB3 . 15849 1 389 . 1 1 30 30 SER C C 13 174.676 0.2 . 1 . . . 201 SER C . 15849 1 390 . 1 1 30 30 SER CA C 13 57.827 0.2 . 1 . . . 201 SER CA . 15849 1 391 . 1 1 30 30 SER CB C 13 64.459 0.2 . 1 . . . 201 SER CB . 15849 1 392 . 1 1 30 30 SER N N 15 116.274 0.2 . 1 . . . 201 SER N . 15849 1 393 . 1 1 31 31 ARG H H 1 8.913 0.015 . 1 . . . 202 ARG H . 15849 1 394 . 1 1 31 31 ARG HA H 1 4.633 0.015 . 1 . . . 202 ARG HA . 15849 1 395 . 1 1 31 31 ARG HB2 H 1 1.963 0.015 . 2 . . . 202 ARG HB2 . 15849 1 396 . 1 1 31 31 ARG HB3 H 1 1.963 0.015 . 2 . . . 202 ARG HB3 . 15849 1 397 . 1 1 31 31 ARG HD2 H 1 3.160 0.015 . 2 . . . 202 ARG HD2 . 15849 1 398 . 1 1 31 31 ARG HD3 H 1 3.105 0.015 . 2 . . . 202 ARG HD3 . 15849 1 399 . 1 1 31 31 ARG HE H 1 7.184 0.015 . 1 . . . 202 ARG HE . 15849 1 400 . 1 1 31 31 ARG HG2 H 1 1.657 0.015 . 2 . . . 202 ARG HG2 . 15849 1 401 . 1 1 31 31 ARG HG3 H 1 1.500 0.015 . 2 . . . 202 ARG HG3 . 15849 1 402 . 1 1 31 31 ARG C C 13 178.573 0.2 . 1 . . . 202 ARG C . 15849 1 403 . 1 1 31 31 ARG CA C 13 55.863 0.2 . 1 . . . 202 ARG CA . 15849 1 404 . 1 1 31 31 ARG CB C 13 31.642 0.2 . 1 . . . 202 ARG CB . 15849 1 405 . 1 1 31 31 ARG CD C 13 43.392 0.2 . 1 . . . 202 ARG CD . 15849 1 406 . 1 1 31 31 ARG CG C 13 28.724 0.2 . 1 . . . 202 ARG CG . 15849 1 407 . 1 1 31 31 ARG N N 15 123.734 0.2 . 1 . . . 202 ARG N . 15849 1 408 . 1 1 31 31 ARG NE N 15 84.776 0.2 . 1 . . . 202 ARG NE . 15849 1 409 . 1 1 32 32 LYS H H 1 8.896 0.015 . 1 . . . 203 LYS H . 15849 1 410 . 1 1 32 32 LYS HA H 1 4.095 0.015 . 1 . . . 203 LYS HA . 15849 1 411 . 1 1 32 32 LYS HB2 H 1 1.890 0.015 . 2 . . . 203 LYS HB2 . 15849 1 412 . 1 1 32 32 LYS HB3 H 1 1.890 0.015 . 2 . . . 203 LYS HB3 . 15849 1 413 . 1 1 32 32 LYS HD2 H 1 1.712 0.015 . 2 . . . 203 LYS HD2 . 15849 1 414 . 1 1 32 32 LYS HD3 H 1 1.712 0.015 . 2 . . . 203 LYS HD3 . 15849 1 415 . 1 1 32 32 LYS HE2 H 1 3.012 0.015 . 2 . . . 203 LYS HE2 . 15849 1 416 . 1 1 32 32 LYS HE3 H 1 3.012 0.015 . 2 . . . 203 LYS HE3 . 15849 1 417 . 1 1 32 32 LYS HG2 H 1 1.546 0.015 . 2 . . . 203 LYS HG2 . 15849 1 418 . 1 1 32 32 LYS HG3 H 1 1.520 0.015 . 2 . . . 203 LYS HG3 . 15849 1 419 . 1 1 32 32 LYS C C 13 176.962 0.2 . 1 . . . 203 LYS C . 15849 1 420 . 1 1 32 32 LYS CA C 13 59.147 0.2 . 1 . . . 203 LYS CA . 15849 1 421 . 1 1 32 32 LYS CB C 13 31.898 0.2 . 1 . . . 203 LYS CB . 15849 1 422 . 1 1 32 32 LYS CD C 13 28.986 0.2 . 1 . . . 203 LYS CD . 15849 1 423 . 1 1 32 32 LYS CE C 13 42.166 0.2 . 1 . . . 203 LYS CE . 15849 1 424 . 1 1 32 32 LYS CG C 13 24.799 0.2 . 1 . . . 203 LYS CG . 15849 1 425 . 1 1 32 32 LYS N N 15 122.362 0.2 . 1 . . . 203 LYS N . 15849 1 426 . 1 1 33 33 ASP H H 1 7.634 0.015 . 1 . . . 204 ASP H . 15849 1 427 . 1 1 33 33 ASP HA H 1 4.516 0.015 . 1 . . . 204 ASP HA . 15849 1 428 . 1 1 33 33 ASP HB2 H 1 3.129 0.015 . 2 . . . 204 ASP HB2 . 15849 1 429 . 1 1 33 33 ASP HB3 H 1 2.591 0.015 . 2 . . . 204 ASP HB3 . 15849 1 430 . 1 1 33 33 ASP C C 13 177.093 0.2 . 1 . . . 204 ASP C . 15849 1 431 . 1 1 33 33 ASP CA C 13 53.321 0.2 . 1 . . . 204 ASP CA . 15849 1 432 . 1 1 33 33 ASP CB C 13 40.064 0.2 . 1 . . . 204 ASP CB . 15849 1 433 . 1 1 33 33 ASP N N 15 115.529 0.2 . 1 . . . 204 ASP N . 15849 1 434 . 1 1 34 34 GLY H H 1 8.084 0.015 . 1 . . . 205 GLY H . 15849 1 435 . 1 1 34 34 GLY HA2 H 1 4.347 0.015 . 2 . . . 205 GLY HA2 . 15849 1 436 . 1 1 34 34 GLY HA3 H 1 3.723 0.015 . 2 . . . 205 GLY HA3 . 15849 1 437 . 1 1 34 34 GLY C C 13 175.294 0.2 . 1 . . . 205 GLY C . 15849 1 438 . 1 1 34 34 GLY CA C 13 45.321 0.2 . 1 . . . 205 GLY CA . 15849 1 439 . 1 1 34 34 GLY N N 15 107.892 0.2 . 1 . . . 205 GLY N . 15849 1 440 . 1 1 35 35 THR H H 1 8.020 0.015 . 1 . . . 206 THR H . 15849 1 441 . 1 1 35 35 THR HA H 1 4.384 0.015 . 1 . . . 206 THR HA . 15849 1 442 . 1 1 35 35 THR HB H 1 4.261 0.015 . 1 . . . 206 THR HB . 15849 1 443 . 1 1 35 35 THR HG21 H 1 1.178 0.015 . 1 . . . 206 THR HG2 . 15849 1 444 . 1 1 35 35 THR HG22 H 1 1.178 0.015 . 1 . . . 206 THR HG2 . 15849 1 445 . 1 1 35 35 THR HG23 H 1 1.178 0.015 . 1 . . . 206 THR HG2 . 15849 1 446 . 1 1 35 35 THR C C 13 173.396 0.2 . 1 . . . 206 THR C . 15849 1 447 . 1 1 35 35 THR CA C 13 62.077 0.2 . 1 . . . 206 THR CA . 15849 1 448 . 1 1 35 35 THR CB C 13 70.956 0.2 . 1 . . . 206 THR CB . 15849 1 449 . 1 1 35 35 THR CG2 C 13 21.744 0.2 . 1 . . . 206 THR CG2 . 15849 1 450 . 1 1 35 35 THR N N 15 113.323 0.2 . 1 . . . 206 THR N . 15849 1 451 . 1 1 36 36 LYS H H 1 8.420 0.015 . 1 . . . 207 LYS H . 15849 1 452 . 1 1 36 36 LYS HA H 1 4.888 0.015 . 1 . . . 207 LYS HA . 15849 1 453 . 1 1 36 36 LYS HB2 H 1 1.710 0.015 . 2 . . . 207 LYS HB2 . 15849 1 454 . 1 1 36 36 LYS HB3 H 1 1.710 0.015 . 2 . . . 207 LYS HB3 . 15849 1 455 . 1 1 36 36 LYS HD2 H 1 1.564 0.015 . 2 . . . 207 LYS HD2 . 15849 1 456 . 1 1 36 36 LYS HD3 H 1 1.537 0.015 . 2 . . . 207 LYS HD3 . 15849 1 457 . 1 1 36 36 LYS HE2 H 1 2.896 0.015 . 2 . . . 207 LYS HE2 . 15849 1 458 . 1 1 36 36 LYS HE3 H 1 2.896 0.015 . 2 . . . 207 LYS HE3 . 15849 1 459 . 1 1 36 36 LYS HG2 H 1 1.437 0.015 . 2 . . . 207 LYS HG2 . 15849 1 460 . 1 1 36 36 LYS HG3 H 1 1.350 0.015 . 2 . . . 207 LYS HG3 . 15849 1 461 . 1 1 36 36 LYS C C 13 176.808 0.2 . 1 . . . 207 LYS C . 15849 1 462 . 1 1 36 36 LYS CA C 13 55.519 0.2 . 1 . . . 207 LYS CA . 15849 1 463 . 1 1 36 36 LYS CB C 13 34.393 0.2 . 1 . . . 207 LYS CB . 15849 1 464 . 1 1 36 36 LYS CD C 13 28.981 0.2 . 1 . . . 207 LYS CD . 15849 1 465 . 1 1 36 36 LYS CE C 13 42.106 0.2 . 1 . . . 207 LYS CE . 15849 1 466 . 1 1 36 36 LYS CG C 13 24.708 0.2 . 1 . . . 207 LYS CG . 15849 1 467 . 1 1 36 36 LYS N N 15 119.442 0.2 . 1 . . . 207 LYS N . 15849 1 468 . 1 1 37 37 GLY H H 1 8.225 0.015 . 1 . . . 208 GLY H . 15849 1 469 . 1 1 37 37 GLY HA2 H 1 4.424 0.015 . 2 . . . 208 GLY HA2 . 15849 1 470 . 1 1 37 37 GLY HA3 H 1 3.076 0.015 . 2 . . . 208 GLY HA3 . 15849 1 471 . 1 1 37 37 GLY C C 13 172.281 0.2 . 1 . . . 208 GLY C . 15849 1 472 . 1 1 37 37 GLY CA C 13 43.812 0.2 . 1 . . . 208 GLY CA . 15849 1 473 . 1 1 37 37 GLY N N 15 111.135 0.2 . 1 . . . 208 GLY N . 15849 1 474 . 1 1 38 38 GLN H H 1 7.997 0.015 . 1 . . . 209 GLN H . 15849 1 475 . 1 1 38 38 GLN HA H 1 5.590 0.015 . 1 . . . 209 GLN HA . 15849 1 476 . 1 1 38 38 GLN HB2 H 1 2.455 0.015 . 2 . . . 209 GLN HB2 . 15849 1 477 . 1 1 38 38 GLN HB3 H 1 2.222 0.015 . 2 . . . 209 GLN HB3 . 15849 1 478 . 1 1 38 38 GLN HE21 H 1 7.276 0.015 . 1 . . . 209 GLN HE21 . 15849 1 479 . 1 1 38 38 GLN HE22 H 1 7.017 0.015 . 1 . . . 209 GLN HE22 . 15849 1 480 . 1 1 38 38 GLN HG2 H 1 2.301 0.015 . 2 . . . 209 GLN HG2 . 15849 1 481 . 1 1 38 38 GLN HG3 H 1 1.639 0.015 . 2 . . . 209 GLN HG3 . 15849 1 482 . 1 1 38 38 GLN C C 13 173.846 0.2 . 1 . . . 209 GLN C . 15849 1 483 . 1 1 38 38 GLN CA C 13 54.040 0.2 . 1 . . . 209 GLN CA . 15849 1 484 . 1 1 38 38 GLN CB C 13 31.994 0.2 . 1 . . . 209 GLN CB . 15849 1 485 . 1 1 38 38 GLN CD C 13 180.064 0.2 . 1 . . . 209 GLN CD . 15849 1 486 . 1 1 38 38 GLN CG C 13 32.046 0.2 . 1 . . . 209 GLN CG . 15849 1 487 . 1 1 38 38 GLN N N 15 113.711 0.2 . 1 . . . 209 GLN N . 15849 1 488 . 1 1 38 38 GLN NE2 N 15 112.841 0.2 . 1 . . . 209 GLN NE2 . 15849 1 489 . 1 1 39 39 LEU H H 1 9.058 0.015 . 1 . . . 210 LEU H . 15849 1 490 . 1 1 39 39 LEU HA H 1 5.239 0.015 . 1 . . . 210 LEU HA . 15849 1 491 . 1 1 39 39 LEU HB2 H 1 1.382 0.015 . 2 . . . 210 LEU HB2 . 15849 1 492 . 1 1 39 39 LEU HB3 H 1 0.790 0.015 . 2 . . . 210 LEU HB3 . 15849 1 493 . 1 1 39 39 LEU HD11 H 1 0.332 0.015 . 1 . . . 210 LEU HD1 . 15849 1 494 . 1 1 39 39 LEU HD12 H 1 0.332 0.015 . 1 . . . 210 LEU HD1 . 15849 1 495 . 1 1 39 39 LEU HD13 H 1 0.332 0.015 . 1 . . . 210 LEU HD1 . 15849 1 496 . 1 1 39 39 LEU HD21 H 1 0.472 0.015 . 1 . . . 210 LEU HD2 . 15849 1 497 . 1 1 39 39 LEU HD22 H 1 0.472 0.015 . 1 . . . 210 LEU HD2 . 15849 1 498 . 1 1 39 39 LEU HD23 H 1 0.472 0.015 . 1 . . . 210 LEU HD2 . 15849 1 499 . 1 1 39 39 LEU HG H 1 1.413 0.015 . 1 . . . 210 LEU HG . 15849 1 500 . 1 1 39 39 LEU C C 13 174.377 0.2 . 1 . . . 210 LEU C . 15849 1 501 . 1 1 39 39 LEU CA C 13 54.402 0.2 . 1 . . . 210 LEU CA . 15849 1 502 . 1 1 39 39 LEU CB C 13 44.492 0.2 . 1 . . . 210 LEU CB . 15849 1 503 . 1 1 39 39 LEU CD1 C 13 24.649 0.2 . 1 . . . 210 LEU CD1 . 15849 1 504 . 1 1 39 39 LEU CD2 C 13 26.883 0.2 . 1 . . . 210 LEU CD2 . 15849 1 505 . 1 1 39 39 LEU CG C 13 26.012 0.2 . 1 . . . 210 LEU CG . 15849 1 506 . 1 1 39 39 LEU N N 15 119.380 0.2 . 1 . . . 210 LEU N . 15849 1 507 . 1 1 40 40 LYS H H 1 8.903 0.015 . 1 . . . 211 LYS H . 15849 1 508 . 1 1 40 40 LYS HA H 1 4.681 0.015 . 1 . . . 211 LYS HA . 15849 1 509 . 1 1 40 40 LYS HB2 H 1 1.780 0.015 . 2 . . . 211 LYS HB2 . 15849 1 510 . 1 1 40 40 LYS HB3 H 1 1.736 0.015 . 2 . . . 211 LYS HB3 . 15849 1 511 . 1 1 40 40 LYS HD2 H 1 1.896 0.015 . 2 . . . 211 LYS HD2 . 15849 1 512 . 1 1 40 40 LYS HD3 H 1 1.718 0.015 . 2 . . . 211 LYS HD3 . 15849 1 513 . 1 1 40 40 LYS HE2 H 1 3.154 0.015 . 2 . . . 211 LYS HE2 . 15849 1 514 . 1 1 40 40 LYS HE3 H 1 2.873 0.015 . 2 . . . 211 LYS HE3 . 15849 1 515 . 1 1 40 40 LYS HG2 H 1 1.846 0.015 . 2 . . . 211 LYS HG2 . 15849 1 516 . 1 1 40 40 LYS HG3 H 1 1.200 0.015 . 2 . . . 211 LYS HG3 . 15849 1 517 . 1 1 40 40 LYS C C 13 174.338 0.2 . 1 . . . 211 LYS C . 15849 1 518 . 1 1 40 40 LYS CA C 13 56.268 0.2 . 1 . . . 211 LYS CA . 15849 1 519 . 1 1 40 40 LYS CB C 13 37.139 0.2 . 1 . . . 211 LYS CB . 15849 1 520 . 1 1 40 40 LYS CD C 13 30.617 0.2 . 1 . . . 211 LYS CD . 15849 1 521 . 1 1 40 40 LYS CE C 13 42.329 0.2 . 1 . . . 211 LYS CE . 15849 1 522 . 1 1 40 40 LYS CG C 13 24.559 0.2 . 1 . . . 211 LYS CG . 15849 1 523 . 1 1 40 40 LYS N N 15 122.261 0.2 . 1 . . . 211 LYS N . 15849 1 524 . 1 1 41 41 SER H H 1 8.988 0.015 . 1 . . . 212 SER H . 15849 1 525 . 1 1 41 41 SER HA H 1 5.088 0.015 . 1 . . . 212 SER HA . 15849 1 526 . 1 1 41 41 SER HB2 H 1 3.718 0.015 . 2 . . . 212 SER HB2 . 15849 1 527 . 1 1 41 41 SER HB3 H 1 3.586 0.015 . 2 . . . 212 SER HB3 . 15849 1 528 . 1 1 41 41 SER C C 13 172.356 0.2 . 1 . . . 212 SER C . 15849 1 529 . 1 1 41 41 SER CA C 13 58.525 0.2 . 1 . . . 212 SER CA . 15849 1 530 . 1 1 41 41 SER CB C 13 64.486 0.2 . 1 . . . 212 SER CB . 15849 1 531 . 1 1 41 41 SER N N 15 123.588 0.2 . 1 . . . 212 SER N . 15849 1 532 . 1 1 42 42 LEU H H 1 9.005 0.015 . 1 . . . 213 LEU H . 15849 1 533 . 1 1 42 42 LEU HA H 1 5.178 0.015 . 1 . . . 213 LEU HA . 15849 1 534 . 1 1 42 42 LEU HB2 H 1 1.560 0.015 . 2 . . . 213 LEU HB2 . 15849 1 535 . 1 1 42 42 LEU HB3 H 1 1.459 0.015 . 2 . . . 213 LEU HB3 . 15849 1 536 . 1 1 42 42 LEU HD11 H 1 0.751 0.015 . 1 . . . 213 LEU HD1 . 15849 1 537 . 1 1 42 42 LEU HD12 H 1 0.751 0.015 . 1 . . . 213 LEU HD1 . 15849 1 538 . 1 1 42 42 LEU HD13 H 1 0.751 0.015 . 1 . . . 213 LEU HD1 . 15849 1 539 . 1 1 42 42 LEU HD21 H 1 0.894 0.015 . 1 . . . 213 LEU HD2 . 15849 1 540 . 1 1 42 42 LEU HD22 H 1 0.894 0.015 . 1 . . . 213 LEU HD2 . 15849 1 541 . 1 1 42 42 LEU HD23 H 1 0.894 0.015 . 1 . . . 213 LEU HD2 . 15849 1 542 . 1 1 42 42 LEU HG H 1 1.627 0.015 . 1 . . . 213 LEU HG . 15849 1 543 . 1 1 42 42 LEU C C 13 175.920 0.2 . 1 . . . 213 LEU C . 15849 1 544 . 1 1 42 42 LEU CA C 13 52.926 0.2 . 1 . . . 213 LEU CA . 15849 1 545 . 1 1 42 42 LEU CB C 13 46.681 0.2 . 1 . . . 213 LEU CB . 15849 1 546 . 1 1 42 42 LEU CD1 C 13 26.183 0.2 . 1 . . . 213 LEU CD1 . 15849 1 547 . 1 1 42 42 LEU CD2 C 13 23.840 0.2 . 1 . . . 213 LEU CD2 . 15849 1 548 . 1 1 42 42 LEU CG C 13 27.122 0.2 . 1 . . . 213 LEU CG . 15849 1 549 . 1 1 42 42 LEU N N 15 120.695 0.2 . 1 . . . 213 LEU N . 15849 1 550 . 1 1 43 43 PHE H H 1 9.053 0.015 . 1 . . . 214 PHE H . 15849 1 551 . 1 1 43 43 PHE HA H 1 5.253 0.015 . 1 . . . 214 PHE HA . 15849 1 552 . 1 1 43 43 PHE HB2 H 1 3.108 0.015 . 2 . . . 214 PHE HB2 . 15849 1 553 . 1 1 43 43 PHE HB3 H 1 3.046 0.015 . 2 . . . 214 PHE HB3 . 15849 1 554 . 1 1 43 43 PHE HD1 H 1 7.123 0.015 . 3 . . . 214 PHE HD1 . 15849 1 555 . 1 1 43 43 PHE HD2 H 1 7.123 0.015 . 3 . . . 214 PHE HD2 . 15849 1 556 . 1 1 43 43 PHE HE1 H 1 7.255 0.015 . 3 . . . 214 PHE HE1 . 15849 1 557 . 1 1 43 43 PHE HE2 H 1 7.255 0.015 . 3 . . . 214 PHE HE2 . 15849 1 558 . 1 1 43 43 PHE HZ H 1 7.295 0.015 . 1 . . . 214 PHE HZ . 15849 1 559 . 1 1 43 43 PHE C C 13 174.488 0.2 . 1 . . . 214 PHE C . 15849 1 560 . 1 1 43 43 PHE CA C 13 57.407 0.2 . 1 . . . 214 PHE CA . 15849 1 561 . 1 1 43 43 PHE CB C 13 41.838 0.2 . 1 . . . 214 PHE CB . 15849 1 562 . 1 1 43 43 PHE CD1 C 13 130.766 0.2 . 3 . . . 214 PHE CD1 . 15849 1 563 . 1 1 43 43 PHE CD2 C 13 130.766 0.2 . 3 . . . 214 PHE CD2 . 15849 1 564 . 1 1 43 43 PHE CE1 C 13 131.457 0.2 . 3 . . . 214 PHE CE1 . 15849 1 565 . 1 1 43 43 PHE CE2 C 13 131.457 0.2 . 3 . . . 214 PHE CE2 . 15849 1 566 . 1 1 43 43 PHE CZ C 13 129.963 0.2 . 1 . . . 214 PHE CZ . 15849 1 567 . 1 1 43 43 PHE N N 15 123.160 0.2 . 1 . . . 214 PHE N . 15849 1 568 . 1 1 44 44 LEU H H 1 8.802 0.015 . 1 . . . 215 LEU H . 15849 1 569 . 1 1 44 44 LEU HA H 1 5.352 0.015 . 1 . . . 215 LEU HA . 15849 1 570 . 1 1 44 44 LEU HB2 H 1 1.762 0.015 . 2 . . . 215 LEU HB2 . 15849 1 571 . 1 1 44 44 LEU HB3 H 1 1.141 0.015 . 2 . . . 215 LEU HB3 . 15849 1 572 . 1 1 44 44 LEU HD11 H 1 0.639 0.015 . 1 . . . 215 LEU HD1 . 15849 1 573 . 1 1 44 44 LEU HD12 H 1 0.639 0.015 . 1 . . . 215 LEU HD1 . 15849 1 574 . 1 1 44 44 LEU HD13 H 1 0.639 0.015 . 1 . . . 215 LEU HD1 . 15849 1 575 . 1 1 44 44 LEU HD21 H 1 0.776 0.015 . 1 . . . 215 LEU HD2 . 15849 1 576 . 1 1 44 44 LEU HD22 H 1 0.776 0.015 . 1 . . . 215 LEU HD2 . 15849 1 577 . 1 1 44 44 LEU HD23 H 1 0.776 0.015 . 1 . . . 215 LEU HD2 . 15849 1 578 . 1 1 44 44 LEU HG H 1 1.473 0.015 . 1 . . . 215 LEU HG . 15849 1 579 . 1 1 44 44 LEU C C 13 174.881 0.2 . 1 . . . 215 LEU C . 15849 1 580 . 1 1 44 44 LEU CA C 13 53.700 0.2 . 1 . . . 215 LEU CA . 15849 1 581 . 1 1 44 44 LEU CB C 13 44.689 0.2 . 1 . . . 215 LEU CB . 15849 1 582 . 1 1 44 44 LEU CD1 C 13 25.806 0.2 . 1 . . . 215 LEU CD1 . 15849 1 583 . 1 1 44 44 LEU CD2 C 13 24.938 0.2 . 1 . . . 215 LEU CD2 . 15849 1 584 . 1 1 44 44 LEU CG C 13 27.137 0.2 . 1 . . . 215 LEU CG . 15849 1 585 . 1 1 44 44 LEU N N 15 127.768 0.2 . 1 . . . 215 LEU N . 15849 1 586 . 1 1 45 45 LYS H H 1 9.209 0.015 . 1 . . . 216 LYS H . 15849 1 587 . 1 1 45 45 LYS HA H 1 5.247 0.015 . 1 . . . 216 LYS HA . 15849 1 588 . 1 1 45 45 LYS HB2 H 1 1.777 0.015 . 2 . . . 216 LYS HB2 . 15849 1 589 . 1 1 45 45 LYS HB3 H 1 1.588 0.015 . 2 . . . 216 LYS HB3 . 15849 1 590 . 1 1 45 45 LYS HD2 H 1 1.573 0.015 . 2 . . . 216 LYS HD2 . 15849 1 591 . 1 1 45 45 LYS HD3 H 1 1.519 0.015 . 2 . . . 216 LYS HD3 . 15849 1 592 . 1 1 45 45 LYS HE2 H 1 2.857 0.015 . 2 . . . 216 LYS HE2 . 15849 1 593 . 1 1 45 45 LYS HE3 H 1 2.857 0.015 . 2 . . . 216 LYS HE3 . 15849 1 594 . 1 1 45 45 LYS HG2 H 1 1.392 0.015 . 2 . . . 216 LYS HG2 . 15849 1 595 . 1 1 45 45 LYS HG3 H 1 1.358 0.015 . 2 . . . 216 LYS HG3 . 15849 1 596 . 1 1 45 45 LYS C C 13 174.858 0.2 . 1 . . . 216 LYS C . 15849 1 597 . 1 1 45 45 LYS CA C 13 55.625 0.2 . 1 . . . 216 LYS CA . 15849 1 598 . 1 1 45 45 LYS CB C 13 37.681 0.2 . 1 . . . 216 LYS CB . 15849 1 599 . 1 1 45 45 LYS CD C 13 29.700 0.2 . 1 . . . 216 LYS CD . 15849 1 600 . 1 1 45 45 LYS CE C 13 42.108 0.2 . 1 . . . 216 LYS CE . 15849 1 601 . 1 1 45 45 LYS CG C 13 24.310 0.2 . 1 . . . 216 LYS CG . 15849 1 602 . 1 1 45 45 LYS N N 15 120.149 0.2 . 1 . . . 216 LYS N . 15849 1 603 . 1 1 46 46 ASP H H 1 8.910 0.015 . 1 . . . 217 ASP H . 15849 1 604 . 1 1 46 46 ASP HA H 1 5.145 0.015 . 1 . . . 217 ASP HA . 15849 1 605 . 1 1 46 46 ASP HB2 H 1 3.474 0.015 . 2 . . . 217 ASP HB2 . 15849 1 606 . 1 1 46 46 ASP HB3 H 1 3.080 0.015 . 2 . . . 217 ASP HB3 . 15849 1 607 . 1 1 46 46 ASP C C 13 175.664 0.2 . 1 . . . 217 ASP C . 15849 1 608 . 1 1 46 46 ASP CA C 13 52.599 0.2 . 1 . . . 217 ASP CA . 15849 1 609 . 1 1 46 46 ASP CB C 13 41.838 0.2 . 1 . . . 217 ASP CB . 15849 1 610 . 1 1 46 46 ASP N N 15 126.536 0.2 . 1 . . . 217 ASP N . 15849 1 611 . 1 1 47 47 ASP H H 1 8.995 0.015 . 1 . . . 218 ASP H . 15849 1 612 . 1 1 47 47 ASP HA H 1 4.503 0.015 . 1 . . . 218 ASP HA . 15849 1 613 . 1 1 47 47 ASP HB2 H 1 2.794 0.015 . 2 . . . 218 ASP HB2 . 15849 1 614 . 1 1 47 47 ASP HB3 H 1 2.794 0.015 . 2 . . . 218 ASP HB3 . 15849 1 615 . 1 1 47 47 ASP C C 13 176.517 0.2 . 1 . . . 218 ASP C . 15849 1 616 . 1 1 47 47 ASP CA C 13 55.822 0.2 . 1 . . . 218 ASP CA . 15849 1 617 . 1 1 47 47 ASP CB C 13 39.384 0.2 . 1 . . . 218 ASP CB . 15849 1 618 . 1 1 47 47 ASP N N 15 114.512 0.2 . 1 . . . 218 ASP N . 15849 1 619 . 1 1 48 48 THR H H 1 9.629 0.015 . 1 . . . 219 THR H . 15849 1 620 . 1 1 48 48 THR HA H 1 4.655 0.015 . 1 . . . 219 THR HA . 15849 1 621 . 1 1 48 48 THR HB H 1 4.363 0.015 . 1 . . . 219 THR HB . 15849 1 622 . 1 1 48 48 THR HG21 H 1 1.138 0.015 . 1 . . . 219 THR HG2 . 15849 1 623 . 1 1 48 48 THR HG22 H 1 1.138 0.015 . 1 . . . 219 THR HG2 . 15849 1 624 . 1 1 48 48 THR HG23 H 1 1.138 0.015 . 1 . . . 219 THR HG2 . 15849 1 625 . 1 1 48 48 THR C C 13 174.998 0.2 . 1 . . . 219 THR C . 15849 1 626 . 1 1 48 48 THR CA C 13 62.095 0.2 . 1 . . . 219 THR CA . 15849 1 627 . 1 1 48 48 THR CB C 13 70.642 0.2 . 1 . . . 219 THR CB . 15849 1 628 . 1 1 48 48 THR CG2 C 13 22.538 0.2 . 1 . . . 219 THR CG2 . 15849 1 629 . 1 1 48 48 THR N N 15 111.625 0.2 . 1 . . . 219 THR N . 15849 1 630 . 1 1 49 49 GLY H H 1 7.672 0.015 . 1 . . . 220 GLY H . 15849 1 631 . 1 1 49 49 GLY HA2 H 1 4.086 0.015 . 2 . . . 220 GLY HA2 . 15849 1 632 . 1 1 49 49 GLY HA3 H 1 4.086 0.015 . 2 . . . 220 GLY HA3 . 15849 1 633 . 1 1 49 49 GLY C C 13 169.709 0.2 . 1 . . . 220 GLY C . 15849 1 634 . 1 1 49 49 GLY CA C 13 45.846 0.2 . 1 . . . 220 GLY CA . 15849 1 635 . 1 1 49 49 GLY N N 15 110.638 0.2 . 1 . . . 220 GLY N . 15849 1 636 . 1 1 50 50 SER H H 1 8.255 0.015 . 1 . . . 221 SER H . 15849 1 637 . 1 1 50 50 SER HA H 1 5.658 0.015 . 1 . . . 221 SER HA . 15849 1 638 . 1 1 50 50 SER HB2 H 1 3.679 0.015 . 2 . . . 221 SER HB2 . 15849 1 639 . 1 1 50 50 SER HB3 H 1 3.679 0.015 . 2 . . . 221 SER HB3 . 15849 1 640 . 1 1 50 50 SER C C 13 172.854 0.2 . 1 . . . 221 SER C . 15849 1 641 . 1 1 50 50 SER CA C 13 56.809 0.2 . 1 . . . 221 SER CA . 15849 1 642 . 1 1 50 50 SER CB C 13 67.002 0.2 . 1 . . . 221 SER CB . 15849 1 643 . 1 1 50 50 SER N N 15 111.880 0.2 . 1 . . . 221 SER N . 15849 1 644 . 1 1 51 51 ILE H H 1 9.231 0.015 . 1 . . . 222 ILE H . 15849 1 645 . 1 1 51 51 ILE HA H 1 4.556 0.015 . 1 . . . 222 ILE HA . 15849 1 646 . 1 1 51 51 ILE HB H 1 1.581 0.015 . 1 . . . 222 ILE HB . 15849 1 647 . 1 1 51 51 ILE HD11 H 1 0.581 0.015 . 1 . . . 222 ILE HD1 . 15849 1 648 . 1 1 51 51 ILE HD12 H 1 0.581 0.015 . 1 . . . 222 ILE HD1 . 15849 1 649 . 1 1 51 51 ILE HD13 H 1 0.581 0.015 . 1 . . . 222 ILE HD1 . 15849 1 650 . 1 1 51 51 ILE HG12 H 1 1.586 0.015 . 2 . . . 222 ILE HG12 . 15849 1 651 . 1 1 51 51 ILE HG13 H 1 1.476 0.015 . 2 . . . 222 ILE HG13 . 15849 1 652 . 1 1 51 51 ILE HG21 H 1 0.508 0.015 . 1 . . . 222 ILE HG2 . 15849 1 653 . 1 1 51 51 ILE HG22 H 1 0.508 0.015 . 1 . . . 222 ILE HG2 . 15849 1 654 . 1 1 51 51 ILE HG23 H 1 0.508 0.015 . 1 . . . 222 ILE HG2 . 15849 1 655 . 1 1 51 51 ILE C C 13 171.664 0.2 . 1 . . . 222 ILE C . 15849 1 656 . 1 1 51 51 ILE CA C 13 61.205 0.2 . 1 . . . 222 ILE CA . 15849 1 657 . 1 1 51 51 ILE CB C 13 41.997 0.2 . 1 . . . 222 ILE CB . 15849 1 658 . 1 1 51 51 ILE CD1 C 13 15.949 0.2 . 1 . . . 222 ILE CD1 . 15849 1 659 . 1 1 51 51 ILE CG1 C 13 29.000 0.2 . 1 . . . 222 ILE CG1 . 15849 1 660 . 1 1 51 51 ILE CG2 C 13 15.339 0.2 . 1 . . . 222 ILE CG2 . 15849 1 661 . 1 1 51 51 ILE N N 15 120.991 0.2 . 1 . . . 222 ILE N . 15849 1 662 . 1 1 52 52 ARG H H 1 7.513 0.015 . 1 . . . 223 ARG H . 15849 1 663 . 1 1 52 52 ARG HA H 1 4.923 0.015 . 1 . . . 223 ARG HA . 15849 1 664 . 1 1 52 52 ARG HB2 H 1 1.875 0.015 . 2 . . . 223 ARG HB2 . 15849 1 665 . 1 1 52 52 ARG HB3 H 1 1.741 0.015 . 2 . . . 223 ARG HB3 . 15849 1 666 . 1 1 52 52 ARG HD2 H 1 3.080 0.015 . 2 . . . 223 ARG HD2 . 15849 1 667 . 1 1 52 52 ARG HD3 H 1 3.080 0.015 . 2 . . . 223 ARG HD3 . 15849 1 668 . 1 1 52 52 ARG HE H 1 7.118 0.015 . 1 . . . 223 ARG HE . 15849 1 669 . 1 1 52 52 ARG HG2 H 1 1.548 0.015 . 2 . . . 223 ARG HG2 . 15849 1 670 . 1 1 52 52 ARG HG3 H 1 1.466 0.015 . 2 . . . 223 ARG HG3 . 15849 1 671 . 1 1 52 52 ARG C C 13 175.613 0.2 . 1 . . . 223 ARG C . 15849 1 672 . 1 1 52 52 ARG CA C 13 55.652 0.2 . 1 . . . 223 ARG CA . 15849 1 673 . 1 1 52 52 ARG CB C 13 32.022 0.2 . 1 . . . 223 ARG CB . 15849 1 674 . 1 1 52 52 ARG CD C 13 43.423 0.2 . 1 . . . 223 ARG CD . 15849 1 675 . 1 1 52 52 ARG CG C 13 28.021 0.2 . 1 . . . 223 ARG CG . 15849 1 676 . 1 1 52 52 ARG N N 15 125.893 0.2 . 1 . . . 223 ARG N . 15849 1 677 . 1 1 52 52 ARG NE N 15 84.268 0.2 . 1 . . . 223 ARG NE . 15849 1 678 . 1 1 53 53 GLY H H 1 9.053 0.015 . 1 . . . 224 GLY H . 15849 1 679 . 1 1 53 53 GLY HA2 H 1 5.493 0.015 . 2 . . . 224 GLY HA2 . 15849 1 680 . 1 1 53 53 GLY HA3 H 1 3.031 0.015 . 2 . . . 224 GLY HA3 . 15849 1 681 . 1 1 53 53 GLY C C 13 172.146 0.2 . 1 . . . 224 GLY C . 15849 1 682 . 1 1 53 53 GLY CA C 13 44.264 0.2 . 1 . . . 224 GLY CA . 15849 1 683 . 1 1 53 53 GLY N N 15 109.869 0.2 . 1 . . . 224 GLY N . 15849 1 684 . 1 1 54 54 THR H H 1 8.516 0.015 . 1 . . . 225 THR H . 15849 1 685 . 1 1 54 54 THR HA H 1 4.629 0.015 . 1 . . . 225 THR HA . 15849 1 686 . 1 1 54 54 THR HB H 1 3.673 0.015 . 1 . . . 225 THR HB . 15849 1 687 . 1 1 54 54 THR HG21 H 1 0.145 0.015 . 1 . . . 225 THR HG2 . 15849 1 688 . 1 1 54 54 THR HG22 H 1 0.145 0.015 . 1 . . . 225 THR HG2 . 15849 1 689 . 1 1 54 54 THR HG23 H 1 0.145 0.015 . 1 . . . 225 THR HG2 . 15849 1 690 . 1 1 54 54 THR C C 13 172.139 0.2 . 1 . . . 225 THR C . 15849 1 691 . 1 1 54 54 THR CA C 13 62.000 0.2 . 1 . . . 225 THR CA . 15849 1 692 . 1 1 54 54 THR CB C 13 70.681 0.2 . 1 . . . 225 THR CB . 15849 1 693 . 1 1 54 54 THR CG2 C 13 22.729 0.2 . 1 . . . 225 THR CG2 . 15849 1 694 . 1 1 54 54 THR N N 15 116.809 0.2 . 1 . . . 225 THR N . 15849 1 695 . 1 1 55 55 LEU H H 1 8.804 0.015 . 1 . . . 226 LEU H . 15849 1 696 . 1 1 55 55 LEU HA H 1 4.467 0.015 . 1 . . . 226 LEU HA . 15849 1 697 . 1 1 55 55 LEU HB2 H 1 1.820 0.015 . 2 . . . 226 LEU HB2 . 15849 1 698 . 1 1 55 55 LEU HB3 H 1 1.098 0.015 . 2 . . . 226 LEU HB3 . 15849 1 699 . 1 1 55 55 LEU HD11 H 1 0.922 0.015 . 1 . . . 226 LEU HD1 . 15849 1 700 . 1 1 55 55 LEU HD12 H 1 0.922 0.015 . 1 . . . 226 LEU HD1 . 15849 1 701 . 1 1 55 55 LEU HD13 H 1 0.922 0.015 . 1 . . . 226 LEU HD1 . 15849 1 702 . 1 1 55 55 LEU HD21 H 1 0.779 0.015 . 1 . . . 226 LEU HD2 . 15849 1 703 . 1 1 55 55 LEU HD22 H 1 0.779 0.015 . 1 . . . 226 LEU HD2 . 15849 1 704 . 1 1 55 55 LEU HD23 H 1 0.779 0.015 . 1 . . . 226 LEU HD2 . 15849 1 705 . 1 1 55 55 LEU HG H 1 1.537 0.015 . 1 . . . 226 LEU HG . 15849 1 706 . 1 1 55 55 LEU C C 13 175.109 0.2 . 1 . . . 226 LEU C . 15849 1 707 . 1 1 55 55 LEU CA C 13 53.468 0.2 . 1 . . . 226 LEU CA . 15849 1 708 . 1 1 55 55 LEU CB C 13 42.053 0.2 . 1 . . . 226 LEU CB . 15849 1 709 . 1 1 55 55 LEU CD1 C 13 25.764 0.2 . 1 . . . 226 LEU CD1 . 15849 1 710 . 1 1 55 55 LEU CD2 C 13 24.522 0.2 . 1 . . . 226 LEU CD2 . 15849 1 711 . 1 1 55 55 LEU CG C 13 27.133 0.2 . 1 . . . 226 LEU CG . 15849 1 712 . 1 1 55 55 LEU N N 15 126.567 0.2 . 1 . . . 226 LEU N . 15849 1 713 . 1 1 56 56 TRP H H 1 9.440 0.015 . 1 . . . 227 TRP H . 15849 1 714 . 1 1 56 56 TRP HA H 1 5.033 0.015 . 1 . . . 227 TRP HA . 15849 1 715 . 1 1 56 56 TRP HB2 H 1 3.345 0.015 . 2 . . . 227 TRP HB2 . 15849 1 716 . 1 1 56 56 TRP HB3 H 1 3.224 0.015 . 2 . . . 227 TRP HB3 . 15849 1 717 . 1 1 56 56 TRP HD1 H 1 7.340 0.015 . 1 . . . 227 TRP HD1 . 15849 1 718 . 1 1 56 56 TRP HE1 H 1 9.976 0.015 . 1 . . . 227 TRP HE1 . 15849 1 719 . 1 1 56 56 TRP HE3 H 1 7.683 0.015 . 1 . . . 227 TRP HE3 . 15849 1 720 . 1 1 56 56 TRP HH2 H 1 6.939 0.015 . 1 . . . 227 TRP HH2 . 15849 1 721 . 1 1 56 56 TRP HZ2 H 1 7.423 0.015 . 1 . . . 227 TRP HZ2 . 15849 1 722 . 1 1 56 56 TRP HZ3 H 1 6.521 0.015 . 1 . . . 227 TRP HZ3 . 15849 1 723 . 1 1 56 56 TRP C C 13 177.678 0.2 . 1 . . . 227 TRP C . 15849 1 724 . 1 1 56 56 TRP CA C 13 56.493 0.2 . 1 . . . 227 TRP CA . 15849 1 725 . 1 1 56 56 TRP CB C 13 32.242 0.2 . 1 . . . 227 TRP CB . 15849 1 726 . 1 1 56 56 TRP CD1 C 13 128.102 0.2 . 1 . . . 227 TRP CD1 . 15849 1 727 . 1 1 56 56 TRP CE3 C 13 120.219 0.2 . 1 . . . 227 TRP CE3 . 15849 1 728 . 1 1 56 56 TRP CH2 C 13 124.431 0.2 . 1 . . . 227 TRP CH2 . 15849 1 729 . 1 1 56 56 TRP CZ2 C 13 114.580 0.2 . 1 . . . 227 TRP CZ2 . 15849 1 730 . 1 1 56 56 TRP CZ3 C 13 122.440 0.2 . 1 . . . 227 TRP CZ3 . 15849 1 731 . 1 1 56 56 TRP N N 15 122.317 0.2 . 1 . . . 227 TRP N . 15849 1 732 . 1 1 56 56 TRP NE1 N 15 129.108 0.2 . 1 . . . 227 TRP NE1 . 15849 1 733 . 1 1 57 57 ASN H H 1 9.413 0.015 . 1 . . . 228 ASN H . 15849 1 734 . 1 1 57 57 ASN HA H 1 4.539 0.015 . 1 . . . 228 ASN HA . 15849 1 735 . 1 1 57 57 ASN HB2 H 1 3.318 0.015 . 2 . . . 228 ASN HB2 . 15849 1 736 . 1 1 57 57 ASN HB3 H 1 3.065 0.015 . 2 . . . 228 ASN HB3 . 15849 1 737 . 1 1 57 57 ASN HD21 H 1 8.104 0.015 . 1 . . . 228 ASN HD21 . 15849 1 738 . 1 1 57 57 ASN HD22 H 1 7.150 0.015 . 1 . . . 228 ASN HD22 . 15849 1 739 . 1 1 57 57 ASN C C 13 177.810 0.2 . 1 . . . 228 ASN C . 15849 1 740 . 1 1 57 57 ASN CA C 13 55.159 0.2 . 1 . . . 228 ASN CA . 15849 1 741 . 1 1 57 57 ASN CB C 13 36.898 0.2 . 1 . . . 228 ASN CB . 15849 1 742 . 1 1 57 57 ASN CG C 13 176.924 0.2 . 1 . . . 228 ASN CG . 15849 1 743 . 1 1 57 57 ASN N N 15 119.168 0.2 . 1 . . . 228 ASN N . 15849 1 744 . 1 1 57 57 ASN ND2 N 15 115.283 0.2 . 1 . . . 228 ASN ND2 . 15849 1 745 . 1 1 58 58 GLU H H 1 10.032 0.015 . 1 . . . 229 GLU H . 15849 1 746 . 1 1 58 58 GLU HA H 1 4.225 0.015 . 1 . . . 229 GLU HA . 15849 1 747 . 1 1 58 58 GLU HB2 H 1 2.202 0.015 . 2 . . . 229 GLU HB2 . 15849 1 748 . 1 1 58 58 GLU HB3 H 1 2.202 0.015 . 2 . . . 229 GLU HB3 . 15849 1 749 . 1 1 58 58 GLU HG2 H 1 2.510 0.015 . 2 . . . 229 GLU HG2 . 15849 1 750 . 1 1 58 58 GLU HG3 H 1 2.510 0.015 . 2 . . . 229 GLU HG3 . 15849 1 751 . 1 1 58 58 GLU C C 13 179.208 0.2 . 1 . . . 229 GLU C . 15849 1 752 . 1 1 58 58 GLU CA C 13 60.654 0.2 . 1 . . . 229 GLU CA . 15849 1 753 . 1 1 58 58 GLU CB C 13 28.259 0.2 . 1 . . . 229 GLU CB . 15849 1 754 . 1 1 58 58 GLU CG C 13 36.553 0.2 . 1 . . . 229 GLU CG . 15849 1 755 . 1 1 58 58 GLU N N 15 127.238 0.2 . 1 . . . 229 GLU N . 15849 1 756 . 1 1 59 59 LEU H H 1 7.931 0.015 . 1 . . . 230 LEU H . 15849 1 757 . 1 1 59 59 LEU HA H 1 4.339 0.015 . 1 . . . 230 LEU HA . 15849 1 758 . 1 1 59 59 LEU HB2 H 1 1.951 0.015 . 2 . . . 230 LEU HB2 . 15849 1 759 . 1 1 59 59 LEU HB3 H 1 1.647 0.015 . 2 . . . 230 LEU HB3 . 15849 1 760 . 1 1 59 59 LEU HD11 H 1 0.984 0.015 . 1 . . . 230 LEU HD1 . 15849 1 761 . 1 1 59 59 LEU HD12 H 1 0.984 0.015 . 1 . . . 230 LEU HD1 . 15849 1 762 . 1 1 59 59 LEU HD13 H 1 0.984 0.015 . 1 . . . 230 LEU HD1 . 15849 1 763 . 1 1 59 59 LEU HD21 H 1 0.895 0.015 . 1 . . . 230 LEU HD2 . 15849 1 764 . 1 1 59 59 LEU HD22 H 1 0.895 0.015 . 1 . . . 230 LEU HD2 . 15849 1 765 . 1 1 59 59 LEU HD23 H 1 0.895 0.015 . 1 . . . 230 LEU HD2 . 15849 1 766 . 1 1 59 59 LEU HG H 1 1.899 0.015 . 1 . . . 230 LEU HG . 15849 1 767 . 1 1 59 59 LEU C C 13 177.812 0.2 . 1 . . . 230 LEU C . 15849 1 768 . 1 1 59 59 LEU CA C 13 56.194 0.2 . 1 . . . 230 LEU CA . 15849 1 769 . 1 1 59 59 LEU CB C 13 41.686 0.2 . 1 . . . 230 LEU CB . 15849 1 770 . 1 1 59 59 LEU CD1 C 13 24.999 0.2 . 1 . . . 230 LEU CD1 . 15849 1 771 . 1 1 59 59 LEU CD2 C 13 23.959 0.2 . 1 . . . 230 LEU CD2 . 15849 1 772 . 1 1 59 59 LEU CG C 13 27.818 0.2 . 1 . . . 230 LEU CG . 15849 1 773 . 1 1 59 59 LEU N N 15 118.982 0.2 . 1 . . . 230 LEU N . 15849 1 774 . 1 1 60 60 ALA H H 1 7.812 0.015 . 1 . . . 231 ALA H . 15849 1 775 . 1 1 60 60 ALA HA H 1 3.955 0.015 . 1 . . . 231 ALA HA . 15849 1 776 . 1 1 60 60 ALA HB1 H 1 1.215 0.015 . 1 . . . 231 ALA HB . 15849 1 777 . 1 1 60 60 ALA HB2 H 1 1.215 0.015 . 1 . . . 231 ALA HB . 15849 1 778 . 1 1 60 60 ALA HB3 H 1 1.215 0.015 . 1 . . . 231 ALA HB . 15849 1 779 . 1 1 60 60 ALA C C 13 176.441 0.2 . 1 . . . 231 ALA C . 15849 1 780 . 1 1 60 60 ALA CA C 13 53.722 0.2 . 1 . . . 231 ALA CA . 15849 1 781 . 1 1 60 60 ALA CB C 13 17.436 0.2 . 1 . . . 231 ALA CB . 15849 1 782 . 1 1 60 60 ALA N N 15 119.898 0.2 . 1 . . . 231 ALA N . 15849 1 783 . 1 1 61 61 ASP H H 1 6.997 0.015 . 1 . . . 232 ASP H . 15849 1 784 . 1 1 61 61 ASP HA H 1 4.796 0.015 . 1 . . . 232 ASP HA . 15849 1 785 . 1 1 61 61 ASP HB2 H 1 2.954 0.015 . 2 . . . 232 ASP HB2 . 15849 1 786 . 1 1 61 61 ASP HB3 H 1 2.476 0.015 . 2 . . . 232 ASP HB3 . 15849 1 787 . 1 1 61 61 ASP C C 13 175.661 0.2 . 1 . . . 232 ASP C . 15849 1 788 . 1 1 61 61 ASP CA C 13 54.728 0.2 . 1 . . . 232 ASP CA . 15849 1 789 . 1 1 61 61 ASP CB C 13 41.769 0.2 . 1 . . . 232 ASP CB . 15849 1 790 . 1 1 61 61 ASP N N 15 112.739 0.2 . 1 . . . 232 ASP N . 15849 1 791 . 1 1 62 62 PHE H H 1 7.851 0.015 . 1 . . . 233 PHE H . 15849 1 792 . 1 1 62 62 PHE HA H 1 4.099 0.015 . 1 . . . 233 PHE HA . 15849 1 793 . 1 1 62 62 PHE HB2 H 1 3.302 0.015 . 2 . . . 233 PHE HB2 . 15849 1 794 . 1 1 62 62 PHE HB3 H 1 2.935 0.015 . 2 . . . 233 PHE HB3 . 15849 1 795 . 1 1 62 62 PHE HD1 H 1 7.024 0.015 . 3 . . . 233 PHE HD1 . 15849 1 796 . 1 1 62 62 PHE HD2 H 1 7.024 0.015 . 3 . . . 233 PHE HD2 . 15849 1 797 . 1 1 62 62 PHE HE1 H 1 7.193 0.015 . 3 . . . 233 PHE HE1 . 15849 1 798 . 1 1 62 62 PHE HE2 H 1 7.191 0.015 . 3 . . . 233 PHE HE2 . 15849 1 799 . 1 1 62 62 PHE HZ H 1 7.264 0.015 . 1 . . . 233 PHE HZ . 15849 1 800 . 1 1 62 62 PHE C C 13 175.543 0.2 . 1 . . . 233 PHE C . 15849 1 801 . 1 1 62 62 PHE CA C 13 59.847 0.2 . 1 . . . 233 PHE CA . 15849 1 802 . 1 1 62 62 PHE CB C 13 40.472 0.2 . 1 . . . 233 PHE CB . 15849 1 803 . 1 1 62 62 PHE CD1 C 13 131.881 0.2 . 3 . . . 233 PHE CD1 . 15849 1 804 . 1 1 62 62 PHE CD2 C 13 131.881 0.2 . 3 . . . 233 PHE CD2 . 15849 1 805 . 1 1 62 62 PHE CE1 C 13 131.469 0.2 . 3 . . . 233 PHE CE1 . 15849 1 806 . 1 1 62 62 PHE CE2 C 13 131.469 0.2 . 3 . . . 233 PHE CE2 . 15849 1 807 . 1 1 62 62 PHE CZ C 13 129.751 0.2 . 1 . . . 233 PHE CZ . 15849 1 808 . 1 1 62 62 PHE N N 15 124.447 0.2 . 1 . . . 233 PHE N . 15849 1 809 . 1 1 63 63 GLU H H 1 7.929 0.015 . 1 . . . 234 GLU H . 15849 1 810 . 1 1 63 63 GLU HA H 1 4.166 0.015 . 1 . . . 234 GLU HA . 15849 1 811 . 1 1 63 63 GLU HB2 H 1 1.745 0.015 . 2 . . . 234 GLU HB2 . 15849 1 812 . 1 1 63 63 GLU HB3 H 1 1.680 0.015 . 2 . . . 234 GLU HB3 . 15849 1 813 . 1 1 63 63 GLU HG2 H 1 2.080 0.015 . 2 . . . 234 GLU HG2 . 15849 1 814 . 1 1 63 63 GLU HG3 H 1 2.056 0.015 . 2 . . . 234 GLU HG3 . 15849 1 815 . 1 1 63 63 GLU C C 13 173.517 0.2 . 1 . . . 234 GLU C . 15849 1 816 . 1 1 63 63 GLU CA C 13 56.734 0.2 . 1 . . . 234 GLU CA . 15849 1 817 . 1 1 63 63 GLU CB C 13 28.718 0.2 . 1 . . . 234 GLU CB . 15849 1 818 . 1 1 63 63 GLU CG C 13 35.928 0.2 . 1 . . . 234 GLU CG . 15849 1 819 . 1 1 63 63 GLU N N 15 129.551 0.2 . 1 . . . 234 GLU N . 15849 1 820 . 1 1 64 64 VAL H H 1 7.492 0.015 . 1 . . . 235 VAL H . 15849 1 821 . 1 1 64 64 VAL HA H 1 4.550 0.015 . 1 . . . 235 VAL HA . 15849 1 822 . 1 1 64 64 VAL HB H 1 2.176 0.015 . 1 . . . 235 VAL HB . 15849 1 823 . 1 1 64 64 VAL HG11 H 1 0.954 0.015 . 1 . . . 235 VAL HG1 . 15849 1 824 . 1 1 64 64 VAL HG12 H 1 0.954 0.015 . 1 . . . 235 VAL HG1 . 15849 1 825 . 1 1 64 64 VAL HG13 H 1 0.954 0.015 . 1 . . . 235 VAL HG1 . 15849 1 826 . 1 1 64 64 VAL HG21 H 1 1.071 0.015 . 1 . . . 235 VAL HG2 . 15849 1 827 . 1 1 64 64 VAL HG22 H 1 1.071 0.015 . 1 . . . 235 VAL HG2 . 15849 1 828 . 1 1 64 64 VAL HG23 H 1 1.071 0.015 . 1 . . . 235 VAL HG2 . 15849 1 829 . 1 1 64 64 VAL C C 13 171.874 0.2 . 1 . . . 235 VAL C . 15849 1 830 . 1 1 64 64 VAL CA C 13 59.449 0.2 . 1 . . . 235 VAL CA . 15849 1 831 . 1 1 64 64 VAL CB C 13 33.838 0.2 . 1 . . . 235 VAL CB . 15849 1 832 . 1 1 64 64 VAL CG1 C 13 19.873 0.2 . 1 . . . 235 VAL CG1 . 15849 1 833 . 1 1 64 64 VAL CG2 C 13 22.813 0.2 . 1 . . . 235 VAL CG2 . 15849 1 834 . 1 1 64 64 VAL N N 15 124.341 0.2 . 1 . . . 235 VAL N . 15849 1 835 . 1 1 65 65 LYS H H 1 9.121 0.015 . 1 . . . 236 LYS H . 15849 1 836 . 1 1 65 65 LYS HA H 1 4.612 0.015 . 1 . . . 236 LYS HA . 15849 1 837 . 1 1 65 65 LYS HB2 H 1 1.764 0.015 . 2 . . . 236 LYS HB2 . 15849 1 838 . 1 1 65 65 LYS HB3 H 1 1.711 0.015 . 2 . . . 236 LYS HB3 . 15849 1 839 . 1 1 65 65 LYS HD2 H 1 1.583 0.015 . 2 . . . 236 LYS HD2 . 15849 1 840 . 1 1 65 65 LYS HD3 H 1 1.583 0.015 . 2 . . . 236 LYS HD3 . 15849 1 841 . 1 1 65 65 LYS HE2 H 1 2.953 0.015 . 2 . . . 236 LYS HE2 . 15849 1 842 . 1 1 65 65 LYS HE3 H 1 2.953 0.015 . 2 . . . 236 LYS HE3 . 15849 1 843 . 1 1 65 65 LYS HG2 H 1 1.418 0.015 . 2 . . . 236 LYS HG2 . 15849 1 844 . 1 1 65 65 LYS HG3 H 1 1.182 0.015 . 2 . . . 236 LYS HG3 . 15849 1 845 . 1 1 65 65 LYS C C 13 174.785 0.2 . 1 . . . 236 LYS C . 15849 1 846 . 1 1 65 65 LYS CA C 13 53.915 0.2 . 1 . . . 236 LYS CA . 15849 1 847 . 1 1 65 65 LYS CB C 13 36.222 0.2 . 1 . . . 236 LYS CB . 15849 1 848 . 1 1 65 65 LYS CD C 13 29.049 0.2 . 1 . . . 236 LYS CD . 15849 1 849 . 1 1 65 65 LYS CE C 13 42.320 0.2 . 1 . . . 236 LYS CE . 15849 1 850 . 1 1 65 65 LYS CG C 13 23.530 0.2 . 1 . . . 236 LYS CG . 15849 1 851 . 1 1 65 65 LYS N N 15 126.710 0.2 . 1 . . . 236 LYS N . 15849 1 852 . 1 1 66 66 LYS H H 1 8.380 0.015 . 1 . . . 237 LYS H . 15849 1 853 . 1 1 66 66 LYS HA H 1 3.751 0.015 . 1 . . . 237 LYS HA . 15849 1 854 . 1 1 66 66 LYS HB2 H 1 1.716 0.015 . 2 . . . 237 LYS HB2 . 15849 1 855 . 1 1 66 66 LYS HB3 H 1 1.655 0.015 . 2 . . . 237 LYS HB3 . 15849 1 856 . 1 1 66 66 LYS HD2 H 1 1.758 0.015 . 2 . . . 237 LYS HD2 . 15849 1 857 . 1 1 66 66 LYS HD3 H 1 1.672 0.015 . 2 . . . 237 LYS HD3 . 15849 1 858 . 1 1 66 66 LYS HE2 H 1 3.064 0.015 . 2 . . . 237 LYS HE2 . 15849 1 859 . 1 1 66 66 LYS HE3 H 1 3.064 0.015 . 2 . . . 237 LYS HE3 . 15849 1 860 . 1 1 66 66 LYS HG2 H 1 1.442 0.015 . 2 . . . 237 LYS HG2 . 15849 1 861 . 1 1 66 66 LYS HG3 H 1 1.263 0.015 . 2 . . . 237 LYS HG3 . 15849 1 862 . 1 1 66 66 LYS C C 13 177.105 0.2 . 1 . . . 237 LYS C . 15849 1 863 . 1 1 66 66 LYS CA C 13 58.171 0.2 . 1 . . . 237 LYS CA . 15849 1 864 . 1 1 66 66 LYS CB C 13 32.373 0.2 . 1 . . . 237 LYS CB . 15849 1 865 . 1 1 66 66 LYS CD C 13 29.645 0.2 . 1 . . . 237 LYS CD . 15849 1 866 . 1 1 66 66 LYS CE C 13 42.108 0.2 . 1 . . . 237 LYS CE . 15849 1 867 . 1 1 66 66 LYS CG C 13 24.590 0.2 . 1 . . . 237 LYS CG . 15849 1 868 . 1 1 66 66 LYS N N 15 119.894 0.2 . 1 . . . 237 LYS N . 15849 1 869 . 1 1 67 67 GLY H H 1 9.371 0.015 . 1 . . . 238 GLY H . 15849 1 870 . 1 1 67 67 GLY HA2 H 1 4.482 0.015 . 2 . . . 238 GLY HA2 . 15849 1 871 . 1 1 67 67 GLY HA3 H 1 3.710 0.015 . 2 . . . 238 GLY HA3 . 15849 1 872 . 1 1 67 67 GLY C C 13 174.736 0.2 . 1 . . . 238 GLY C . 15849 1 873 . 1 1 67 67 GLY CA C 13 44.756 0.2 . 1 . . . 238 GLY CA . 15849 1 874 . 1 1 67 67 GLY N N 15 116.379 0.2 . 1 . . . 238 GLY N . 15849 1 875 . 1 1 68 68 ASP H H 1 8.119 0.015 . 1 . . . 239 ASP H . 15849 1 876 . 1 1 68 68 ASP HA H 1 4.625 0.015 . 1 . . . 239 ASP HA . 15849 1 877 . 1 1 68 68 ASP HB2 H 1 2.859 0.015 . 2 . . . 239 ASP HB2 . 15849 1 878 . 1 1 68 68 ASP HB3 H 1 2.535 0.015 . 2 . . . 239 ASP HB3 . 15849 1 879 . 1 1 68 68 ASP C C 13 174.625 0.2 . 1 . . . 239 ASP C . 15849 1 880 . 1 1 68 68 ASP CA C 13 55.655 0.2 . 1 . . . 239 ASP CA . 15849 1 881 . 1 1 68 68 ASP CB C 13 41.495 0.2 . 1 . . . 239 ASP CB . 15849 1 882 . 1 1 68 68 ASP N N 15 121.994 0.2 . 1 . . . 239 ASP N . 15849 1 883 . 1 1 69 69 ILE H H 1 8.835 0.015 . 1 . . . 240 ILE H . 15849 1 884 . 1 1 69 69 ILE HA H 1 4.687 0.015 . 1 . . . 240 ILE HA . 15849 1 885 . 1 1 69 69 ILE HB H 1 1.962 0.015 . 1 . . . 240 ILE HB . 15849 1 886 . 1 1 69 69 ILE HD11 H 1 0.746 0.015 . 1 . . . 240 ILE HD1 . 15849 1 887 . 1 1 69 69 ILE HD12 H 1 0.746 0.015 . 1 . . . 240 ILE HD1 . 15849 1 888 . 1 1 69 69 ILE HD13 H 1 0.746 0.015 . 1 . . . 240 ILE HD1 . 15849 1 889 . 1 1 69 69 ILE HG12 H 1 1.476 0.015 . 2 . . . 240 ILE HG12 . 15849 1 890 . 1 1 69 69 ILE HG13 H 1 1.375 0.015 . 2 . . . 240 ILE HG13 . 15849 1 891 . 1 1 69 69 ILE HG21 H 1 0.771 0.015 . 1 . . . 240 ILE HG2 . 15849 1 892 . 1 1 69 69 ILE HG22 H 1 0.771 0.015 . 1 . . . 240 ILE HG2 . 15849 1 893 . 1 1 69 69 ILE HG23 H 1 0.771 0.015 . 1 . . . 240 ILE HG2 . 15849 1 894 . 1 1 69 69 ILE C C 13 175.067 0.2 . 1 . . . 240 ILE C . 15849 1 895 . 1 1 69 69 ILE CA C 13 59.650 0.2 . 1 . . . 240 ILE CA . 15849 1 896 . 1 1 69 69 ILE CB C 13 36.810 0.2 . 1 . . . 240 ILE CB . 15849 1 897 . 1 1 69 69 ILE CD1 C 13 10.646 0.2 . 1 . . . 240 ILE CD1 . 15849 1 898 . 1 1 69 69 ILE CG1 C 13 27.030 0.2 . 1 . . . 240 ILE CG1 . 15849 1 899 . 1 1 69 69 ILE CG2 C 13 17.237 0.2 . 1 . . . 240 ILE CG2 . 15849 1 900 . 1 1 69 69 ILE N N 15 120.662 0.2 . 1 . . . 240 ILE N . 15849 1 901 . 1 1 70 70 ALA H H 1 9.433 0.015 . 1 . . . 241 ALA H . 15849 1 902 . 1 1 70 70 ALA HA H 1 5.368 0.015 . 1 . . . 241 ALA HA . 15849 1 903 . 1 1 70 70 ALA HB1 H 1 1.076 0.015 . 1 . . . 241 ALA HB . 15849 1 904 . 1 1 70 70 ALA HB2 H 1 1.076 0.015 . 1 . . . 241 ALA HB . 15849 1 905 . 1 1 70 70 ALA HB3 H 1 1.076 0.015 . 1 . . . 241 ALA HB . 15849 1 906 . 1 1 70 70 ALA C C 13 174.999 0.2 . 1 . . . 241 ALA C . 15849 1 907 . 1 1 70 70 ALA CA C 13 50.109 0.2 . 1 . . . 241 ALA CA . 15849 1 908 . 1 1 70 70 ALA CB C 13 22.381 0.2 . 1 . . . 241 ALA CB . 15849 1 909 . 1 1 70 70 ALA N N 15 129.320 0.2 . 1 . . . 241 ALA N . 15849 1 910 . 1 1 71 71 GLU H H 1 8.997 0.015 . 1 . . . 242 GLU H . 15849 1 911 . 1 1 71 71 GLU HA H 1 5.076 0.015 . 1 . . . 242 GLU HA . 15849 1 912 . 1 1 71 71 GLU HB2 H 1 1.935 0.015 . 2 . . . 242 GLU HB2 . 15849 1 913 . 1 1 71 71 GLU HB3 H 1 1.806 0.015 . 2 . . . 242 GLU HB3 . 15849 1 914 . 1 1 71 71 GLU HG2 H 1 2.043 0.015 . 2 . . . 242 GLU HG2 . 15849 1 915 . 1 1 71 71 GLU HG3 H 1 1.902 0.015 . 2 . . . 242 GLU HG3 . 15849 1 916 . 1 1 71 71 GLU C C 13 176.067 0.2 . 1 . . . 242 GLU C . 15849 1 917 . 1 1 71 71 GLU CA C 13 55.278 0.2 . 1 . . . 242 GLU CA . 15849 1 918 . 1 1 71 71 GLU CB C 13 31.130 0.2 . 1 . . . 242 GLU CB . 15849 1 919 . 1 1 71 71 GLU CG C 13 37.021 0.2 . 1 . . . 242 GLU CG . 15849 1 920 . 1 1 71 71 GLU N N 15 122.821 0.2 . 1 . . . 242 GLU N . 15849 1 921 . 1 1 72 72 VAL H H 1 9.012 0.015 . 1 . . . 243 VAL H . 15849 1 922 . 1 1 72 72 VAL HA H 1 4.681 0.015 . 1 . . . 243 VAL HA . 15849 1 923 . 1 1 72 72 VAL HB H 1 1.910 0.015 . 1 . . . 243 VAL HB . 15849 1 924 . 1 1 72 72 VAL HG11 H 1 0.789 0.015 . 1 . . . 243 VAL HG1 . 15849 1 925 . 1 1 72 72 VAL HG12 H 1 0.789 0.015 . 1 . . . 243 VAL HG1 . 15849 1 926 . 1 1 72 72 VAL HG13 H 1 0.789 0.015 . 1 . . . 243 VAL HG1 . 15849 1 927 . 1 1 72 72 VAL HG21 H 1 0.773 0.015 . 1 . . . 243 VAL HG2 . 15849 1 928 . 1 1 72 72 VAL HG22 H 1 0.773 0.015 . 1 . . . 243 VAL HG2 . 15849 1 929 . 1 1 72 72 VAL HG23 H 1 0.773 0.015 . 1 . . . 243 VAL HG2 . 15849 1 930 . 1 1 72 72 VAL C C 13 173.882 0.2 . 1 . . . 243 VAL C . 15849 1 931 . 1 1 72 72 VAL CA C 13 61.146 0.2 . 1 . . . 243 VAL CA . 15849 1 932 . 1 1 72 72 VAL CB C 13 34.700 0.2 . 1 . . . 243 VAL CB . 15849 1 933 . 1 1 72 72 VAL CG1 C 13 23.099 0.2 . 1 . . . 243 VAL CG1 . 15849 1 934 . 1 1 72 72 VAL CG2 C 13 20.897 0.2 . 1 . . . 243 VAL CG2 . 15849 1 935 . 1 1 72 72 VAL N N 15 127.424 0.2 . 1 . . . 243 VAL N . 15849 1 936 . 1 1 73 73 SER H H 1 8.887 0.015 . 1 . . . 244 SER H . 15849 1 937 . 1 1 73 73 SER HA H 1 5.937 0.015 . 1 . . . 244 SER HA . 15849 1 938 . 1 1 73 73 SER HB2 H 1 3.891 0.015 . 2 . . . 244 SER HB2 . 15849 1 939 . 1 1 73 73 SER HB3 H 1 3.692 0.015 . 2 . . . 244 SER HB3 . 15849 1 940 . 1 1 73 73 SER C C 13 174.400 0.2 . 1 . . . 244 SER C . 15849 1 941 . 1 1 73 73 SER CA C 13 55.945 0.2 . 1 . . . 244 SER CA . 15849 1 942 . 1 1 73 73 SER CB C 13 65.366 0.2 . 1 . . . 244 SER CB . 15849 1 943 . 1 1 73 73 SER N N 15 120.976 0.2 . 1 . . . 244 SER N . 15849 1 944 . 1 1 74 74 GLY H H 1 8.809 0.015 . 1 . . . 245 GLY H . 15849 1 945 . 1 1 74 74 GLY HA2 H 1 4.609 0.015 . 2 . . . 245 GLY HA2 . 15849 1 946 . 1 1 74 74 GLY HA3 H 1 4.337 0.015 . 2 . . . 245 GLY HA3 . 15849 1 947 . 1 1 74 74 GLY C C 13 169.953 0.2 . 1 . . . 245 GLY C . 15849 1 948 . 1 1 74 74 GLY CA C 13 46.653 0.2 . 1 . . . 245 GLY CA . 15849 1 949 . 1 1 74 74 GLY N N 15 112.020 0.2 . 1 . . . 245 GLY N . 15849 1 950 . 1 1 75 75 TYR H H 1 8.069 0.015 . 1 . . . 246 TYR H . 15849 1 951 . 1 1 75 75 TYR HA H 1 5.088 0.015 . 1 . . . 246 TYR HA . 15849 1 952 . 1 1 75 75 TYR HB2 H 1 3.062 0.015 . 2 . . . 246 TYR HB2 . 15849 1 953 . 1 1 75 75 TYR HB3 H 1 2.931 0.015 . 2 . . . 246 TYR HB3 . 15849 1 954 . 1 1 75 75 TYR HD1 H 1 7.009 0.015 . 3 . . . 246 TYR HD1 . 15849 1 955 . 1 1 75 75 TYR HD2 H 1 7.009 0.015 . 3 . . . 246 TYR HD2 . 15849 1 956 . 1 1 75 75 TYR HE1 H 1 6.762 0.015 . 3 . . . 246 TYR HE1 . 15849 1 957 . 1 1 75 75 TYR HE2 H 1 6.762 0.015 . 3 . . . 246 TYR HE2 . 15849 1 958 . 1 1 75 75 TYR C C 13 174.928 0.2 . 1 . . . 246 TYR C . 15849 1 959 . 1 1 75 75 TYR CA C 13 56.788 0.2 . 1 . . . 246 TYR CA . 15849 1 960 . 1 1 75 75 TYR CB C 13 41.534 0.2 . 1 . . . 246 TYR CB . 15849 1 961 . 1 1 75 75 TYR CD1 C 13 133.337 0.2 . 3 . . . 246 TYR CD1 . 15849 1 962 . 1 1 75 75 TYR CD2 C 13 133.337 0.2 . 3 . . . 246 TYR CD2 . 15849 1 963 . 1 1 75 75 TYR CE1 C 13 118.018 0.2 . 3 . . . 246 TYR CE1 . 15849 1 964 . 1 1 75 75 TYR CE2 C 13 118.018 0.2 . 3 . . . 246 TYR CE2 . 15849 1 965 . 1 1 75 75 TYR N N 15 119.656 0.2 . 1 . . . 246 TYR N . 15849 1 966 . 1 1 76 76 VAL H H 1 8.558 0.015 . 1 . . . 247 VAL H . 15849 1 967 . 1 1 76 76 VAL HA H 1 4.535 0.015 . 1 . . . 247 VAL HA . 15849 1 968 . 1 1 76 76 VAL HB H 1 2.185 0.015 . 1 . . . 247 VAL HB . 15849 1 969 . 1 1 76 76 VAL HG11 H 1 0.580 0.015 . 1 . . . 247 VAL HG1 . 15849 1 970 . 1 1 76 76 VAL HG12 H 1 0.580 0.015 . 1 . . . 247 VAL HG1 . 15849 1 971 . 1 1 76 76 VAL HG13 H 1 0.580 0.015 . 1 . . . 247 VAL HG1 . 15849 1 972 . 1 1 76 76 VAL HG21 H 1 0.759 0.015 . 1 . . . 247 VAL HG2 . 15849 1 973 . 1 1 76 76 VAL HG22 H 1 0.759 0.015 . 1 . . . 247 VAL HG2 . 15849 1 974 . 1 1 76 76 VAL HG23 H 1 0.759 0.015 . 1 . . . 247 VAL HG2 . 15849 1 975 . 1 1 76 76 VAL C C 13 174.788 0.2 . 1 . . . 247 VAL C . 15849 1 976 . 1 1 76 76 VAL CA C 13 62.060 0.2 . 1 . . . 247 VAL CA . 15849 1 977 . 1 1 76 76 VAL CB C 13 31.587 0.2 . 1 . . . 247 VAL CB . 15849 1 978 . 1 1 76 76 VAL CG1 C 13 23.686 0.2 . 1 . . . 247 VAL CG1 . 15849 1 979 . 1 1 76 76 VAL CG2 C 13 22.959 0.2 . 1 . . . 247 VAL CG2 . 15849 1 980 . 1 1 76 76 VAL N N 15 128.209 0.2 . 1 . . . 247 VAL N . 15849 1 981 . 1 1 77 77 LYS H H 1 9.098 0.015 . 1 . . . 248 LYS H . 15849 1 982 . 1 1 77 77 LYS HA H 1 4.732 0.015 . 1 . . . 248 LYS HA . 15849 1 983 . 1 1 77 77 LYS HB2 H 1 1.851 0.015 . 2 . . . 248 LYS HB2 . 15849 1 984 . 1 1 77 77 LYS HB3 H 1 1.777 0.015 . 2 . . . 248 LYS HB3 . 15849 1 985 . 1 1 77 77 LYS HD2 H 1 1.742 0.015 . 2 . . . 248 LYS HD2 . 15849 1 986 . 1 1 77 77 LYS HD3 H 1 1.742 0.015 . 2 . . . 248 LYS HD3 . 15849 1 987 . 1 1 77 77 LYS HE2 H 1 2.975 0.015 . 2 . . . 248 LYS HE2 . 15849 1 988 . 1 1 77 77 LYS HE3 H 1 2.975 0.015 . 2 . . . 248 LYS HE3 . 15849 1 989 . 1 1 77 77 LYS HG2 H 1 1.511 0.015 . 2 . . . 248 LYS HG2 . 15849 1 990 . 1 1 77 77 LYS HG3 H 1 1.342 0.015 . 2 . . . 248 LYS HG3 . 15849 1 991 . 1 1 77 77 LYS C C 13 174.668 0.2 . 1 . . . 248 LYS C . 15849 1 992 . 1 1 77 77 LYS CA C 13 53.979 0.2 . 1 . . . 248 LYS CA . 15849 1 993 . 1 1 77 77 LYS CB C 13 36.130 0.2 . 1 . . . 248 LYS CB . 15849 1 994 . 1 1 77 77 LYS CD C 13 29.269 0.2 . 1 . . . 248 LYS CD . 15849 1 995 . 1 1 77 77 LYS CE C 13 42.172 0.2 . 1 . . . 248 LYS CE . 15849 1 996 . 1 1 77 77 LYS CG C 13 24.243 0.2 . 1 . . . 248 LYS CG . 15849 1 997 . 1 1 77 77 LYS N N 15 125.377 0.2 . 1 . . . 248 LYS N . 15849 1 998 . 1 1 78 78 GLN H H 1 8.833 0.015 . 1 . . . 249 GLN H . 15849 1 999 . 1 1 78 78 GLN HA H 1 4.307 0.015 . 1 . . . 249 GLN HA . 15849 1 1000 . 1 1 78 78 GLN HB2 H 1 2.074 0.015 . 2 . . . 249 GLN HB2 . 15849 1 1001 . 1 1 78 78 GLN HB3 H 1 1.854 0.015 . 2 . . . 249 GLN HB3 . 15849 1 1002 . 1 1 78 78 GLN HE21 H 1 7.559 0.015 . 1 . . . 249 GLN HE21 . 15849 1 1003 . 1 1 78 78 GLN HE22 H 1 6.799 0.015 . 1 . . . 249 GLN HE22 . 15849 1 1004 . 1 1 78 78 GLN HG2 H 1 2.335 0.015 . 2 . . . 249 GLN HG2 . 15849 1 1005 . 1 1 78 78 GLN HG3 H 1 2.240 0.015 . 2 . . . 249 GLN HG3 . 15849 1 1006 . 1 1 78 78 GLN C C 13 175.747 0.2 . 1 . . . 249 GLN C . 15849 1 1007 . 1 1 78 78 GLN CA C 13 56.109 0.2 . 1 . . . 249 GLN CA . 15849 1 1008 . 1 1 78 78 GLN CB C 13 29.190 0.2 . 1 . . . 249 GLN CB . 15849 1 1009 . 1 1 78 78 GLN CD C 13 179.673 0.2 . 1 . . . 249 GLN CD . 15849 1 1010 . 1 1 78 78 GLN CG C 13 33.511 0.2 . 1 . . . 249 GLN CG . 15849 1 1011 . 1 1 78 78 GLN N N 15 120.665 0.2 . 1 . . . 249 GLN N . 15849 1 1012 . 1 1 78 78 GLN NE2 N 15 111.825 0.2 . 1 . . . 249 GLN NE2 . 15849 1 1013 . 1 1 79 79 GLY H H 1 8.136 0.015 . 1 . . . 250 GLY H . 15849 1 1014 . 1 1 79 79 GLY HA2 H 1 4.526 0.015 . 2 . . . 250 GLY HA2 . 15849 1 1015 . 1 1 79 79 GLY HA3 H 1 3.862 0.015 . 2 . . . 250 GLY HA3 . 15849 1 1016 . 1 1 79 79 GLY C C 13 174.500 0.2 . 1 . . . 250 GLY C . 15849 1 1017 . 1 1 79 79 GLY CA C 13 44.045 0.2 . 1 . . . 250 GLY CA . 15849 1 1018 . 1 1 79 79 GLY N N 15 116.268 0.2 . 1 . . . 250 GLY N . 15849 1 1019 . 1 1 80 80 TYR H H 1 8.725 0.015 . 1 . . . 251 TYR H . 15849 1 1020 . 1 1 80 80 TYR HA H 1 4.310 0.015 . 1 . . . 251 TYR HA . 15849 1 1021 . 1 1 80 80 TYR HB2 H 1 3.071 0.015 . 2 . . . 251 TYR HB2 . 15849 1 1022 . 1 1 80 80 TYR HB3 H 1 3.035 0.015 . 2 . . . 251 TYR HB3 . 15849 1 1023 . 1 1 80 80 TYR HD1 H 1 7.164 0.015 . 3 . . . 251 TYR HD1 . 15849 1 1024 . 1 1 80 80 TYR HD2 H 1 7.164 0.015 . 3 . . . 251 TYR HD2 . 15849 1 1025 . 1 1 80 80 TYR HE1 H 1 6.834 0.015 . 3 . . . 251 TYR HE1 . 15849 1 1026 . 1 1 80 80 TYR HE2 H 1 6.834 0.015 . 3 . . . 251 TYR HE2 . 15849 1 1027 . 1 1 80 80 TYR C C 13 177.335 0.2 . 1 . . . 251 TYR C . 15849 1 1028 . 1 1 80 80 TYR CA C 13 60.703 0.2 . 1 . . . 251 TYR CA . 15849 1 1029 . 1 1 80 80 TYR CB C 13 38.140 0.2 . 1 . . . 251 TYR CB . 15849 1 1030 . 1 1 80 80 TYR CD1 C 13 133.142 0.2 . 3 . . . 251 TYR CD1 . 15849 1 1031 . 1 1 80 80 TYR CD2 C 13 133.142 0.2 . 3 . . . 251 TYR CD2 . 15849 1 1032 . 1 1 80 80 TYR CE1 C 13 118.288 0.2 . 3 . . . 251 TYR CE1 . 15849 1 1033 . 1 1 80 80 TYR CE2 C 13 118.288 0.2 . 3 . . . 251 TYR CE2 . 15849 1 1034 . 1 1 80 80 TYR N N 15 120.862 0.2 . 1 . . . 251 TYR N . 15849 1 1035 . 1 1 81 81 SER H H 1 8.488 0.015 . 1 . . . 252 SER H . 15849 1 1036 . 1 1 81 81 SER HA H 1 4.550 0.015 . 1 . . . 252 SER HA . 15849 1 1037 . 1 1 81 81 SER HB2 H 1 3.771 0.015 . 2 . . . 252 SER HB2 . 15849 1 1038 . 1 1 81 81 SER HB3 H 1 3.771 0.015 . 2 . . . 252 SER HB3 . 15849 1 1039 . 1 1 81 81 SER C C 13 173.695 0.2 . 1 . . . 252 SER C . 15849 1 1040 . 1 1 81 81 SER CA C 13 57.288 0.2 . 1 . . . 252 SER CA . 15849 1 1041 . 1 1 81 81 SER CB C 13 63.680 0.2 . 1 . . . 252 SER CB . 15849 1 1042 . 1 1 81 81 SER N N 15 112.931 0.2 . 1 . . . 252 SER N . 15849 1 1043 . 1 1 82 82 GLY H H 1 7.466 0.015 . 1 . . . 253 GLY H . 15849 1 1044 . 1 1 82 82 GLY HA2 H 1 4.416 0.015 . 2 . . . 253 GLY HA2 . 15849 1 1045 . 1 1 82 82 GLY HA3 H 1 3.843 0.015 . 2 . . . 253 GLY HA3 . 15849 1 1046 . 1 1 82 82 GLY C C 13 173.660 0.2 . 1 . . . 253 GLY C . 15849 1 1047 . 1 1 82 82 GLY CA C 13 44.078 0.2 . 1 . . . 253 GLY CA . 15849 1 1048 . 1 1 82 82 GLY N N 15 109.262 0.2 . 1 . . . 253 GLY N . 15849 1 1049 . 1 1 83 83 LEU H H 1 8.687 0.015 . 1 . . . 254 LEU H . 15849 1 1050 . 1 1 83 83 LEU HA H 1 4.641 0.015 . 1 . . . 254 LEU HA . 15849 1 1051 . 1 1 83 83 LEU HB2 H 1 1.752 0.015 . 2 . . . 254 LEU HB2 . 15849 1 1052 . 1 1 83 83 LEU HB3 H 1 1.146 0.015 . 2 . . . 254 LEU HB3 . 15849 1 1053 . 1 1 83 83 LEU HD11 H 1 0.652 0.015 . 1 . . . 254 LEU HD1 . 15849 1 1054 . 1 1 83 83 LEU HD12 H 1 0.652 0.015 . 1 . . . 254 LEU HD1 . 15849 1 1055 . 1 1 83 83 LEU HD13 H 1 0.652 0.015 . 1 . . . 254 LEU HD1 . 15849 1 1056 . 1 1 83 83 LEU HD21 H 1 0.611 0.015 . 1 . . . 254 LEU HD2 . 15849 1 1057 . 1 1 83 83 LEU HD22 H 1 0.611 0.015 . 1 . . . 254 LEU HD2 . 15849 1 1058 . 1 1 83 83 LEU HD23 H 1 0.611 0.015 . 1 . . . 254 LEU HD2 . 15849 1 1059 . 1 1 83 83 LEU HG H 1 1.688 0.015 . 1 . . . 254 LEU HG . 15849 1 1060 . 1 1 83 83 LEU C C 13 176.476 0.2 . 1 . . . 254 LEU C . 15849 1 1061 . 1 1 83 83 LEU CA C 13 55.344 0.2 . 1 . . . 254 LEU CA . 15849 1 1062 . 1 1 83 83 LEU CB C 13 42.773 0.2 . 1 . . . 254 LEU CB . 15849 1 1063 . 1 1 83 83 LEU CD1 C 13 25.333 0.2 . 1 . . . 254 LEU CD1 . 15849 1 1064 . 1 1 83 83 LEU CD2 C 13 22.938 0.2 . 1 . . . 254 LEU CD2 . 15849 1 1065 . 1 1 83 83 LEU CG C 13 26.613 0.2 . 1 . . . 254 LEU CG . 15849 1 1066 . 1 1 83 83 LEU N N 15 121.184 0.2 . 1 . . . 254 LEU N . 15849 1 1067 . 1 1 84 84 GLU H H 1 8.803 0.015 . 1 . . . 255 GLU H . 15849 1 1068 . 1 1 84 84 GLU HA H 1 5.086 0.015 . 1 . . . 255 GLU HA . 15849 1 1069 . 1 1 84 84 GLU HB2 H 1 1.903 0.015 . 2 . . . 255 GLU HB2 . 15849 1 1070 . 1 1 84 84 GLU HB3 H 1 1.741 0.015 . 2 . . . 255 GLU HB3 . 15849 1 1071 . 1 1 84 84 GLU HG2 H 1 2.041 0.015 . 2 . . . 255 GLU HG2 . 15849 1 1072 . 1 1 84 84 GLU HG3 H 1 1.983 0.015 . 2 . . . 255 GLU HG3 . 15849 1 1073 . 1 1 84 84 GLU C C 13 174.397 0.2 . 1 . . . 255 GLU C . 15849 1 1074 . 1 1 84 84 GLU CA C 13 54.322 0.2 . 1 . . . 255 GLU CA . 15849 1 1075 . 1 1 84 84 GLU CB C 13 33.894 0.2 . 1 . . . 255 GLU CB . 15849 1 1076 . 1 1 84 84 GLU CG C 13 36.038 0.2 . 1 . . . 255 GLU CG . 15849 1 1077 . 1 1 84 84 GLU N N 15 118.732 0.2 . 1 . . . 255 GLU N . 15849 1 1078 . 1 1 85 85 ILE H H 1 9.042 0.015 . 1 . . . 256 ILE H . 15849 1 1079 . 1 1 85 85 ILE HA H 1 4.921 0.015 . 1 . . . 256 ILE HA . 15849 1 1080 . 1 1 85 85 ILE HB H 1 1.396 0.015 . 1 . . . 256 ILE HB . 15849 1 1081 . 1 1 85 85 ILE HD11 H 1 0.563 0.015 . 1 . . . 256 ILE HD1 . 15849 1 1082 . 1 1 85 85 ILE HD12 H 1 0.563 0.015 . 1 . . . 256 ILE HD1 . 15849 1 1083 . 1 1 85 85 ILE HD13 H 1 0.563 0.015 . 1 . . . 256 ILE HD1 . 15849 1 1084 . 1 1 85 85 ILE HG12 H 1 1.368 0.015 . 2 . . . 256 ILE HG12 . 15849 1 1085 . 1 1 85 85 ILE HG13 H 1 0.567 0.015 . 2 . . . 256 ILE HG13 . 15849 1 1086 . 1 1 85 85 ILE HG21 H 1 0.723 0.015 . 1 . . . 256 ILE HG2 . 15849 1 1087 . 1 1 85 85 ILE HG22 H 1 0.723 0.015 . 1 . . . 256 ILE HG2 . 15849 1 1088 . 1 1 85 85 ILE HG23 H 1 0.723 0.015 . 1 . . . 256 ILE HG2 . 15849 1 1089 . 1 1 85 85 ILE C C 13 174.364 0.2 . 1 . . . 256 ILE C . 15849 1 1090 . 1 1 85 85 ILE CA C 13 59.082 0.2 . 1 . . . 256 ILE CA . 15849 1 1091 . 1 1 85 85 ILE CB C 13 41.988 0.2 . 1 . . . 256 ILE CB . 15849 1 1092 . 1 1 85 85 ILE CD1 C 13 13.482 0.2 . 1 . . . 256 ILE CD1 . 15849 1 1093 . 1 1 85 85 ILE CG1 C 13 28.708 0.2 . 1 . . . 256 ILE CG1 . 15849 1 1094 . 1 1 85 85 ILE CG2 C 13 15.639 0.2 . 1 . . . 256 ILE CG2 . 15849 1 1095 . 1 1 85 85 ILE N N 15 120.723 0.2 . 1 . . . 256 ILE N . 15849 1 1096 . 1 1 86 86 SER H H 1 9.290 0.015 . 1 . . . 257 SER H . 15849 1 1097 . 1 1 86 86 SER HA H 1 4.872 0.015 . 1 . . . 257 SER HA . 15849 1 1098 . 1 1 86 86 SER HB2 H 1 4.172 0.015 . 2 . . . 257 SER HB2 . 15849 1 1099 . 1 1 86 86 SER HB3 H 1 3.913 0.015 . 2 . . . 257 SER HB3 . 15849 1 1100 . 1 1 86 86 SER C C 13 175.147 0.2 . 1 . . . 257 SER C . 15849 1 1101 . 1 1 86 86 SER CA C 13 57.421 0.2 . 1 . . . 257 SER CA . 15849 1 1102 . 1 1 86 86 SER CB C 13 62.971 0.2 . 1 . . . 257 SER CB . 15849 1 1103 . 1 1 86 86 SER N N 15 126.066 0.2 . 1 . . . 257 SER N . 15849 1 1104 . 1 1 87 87 VAL H H 1 8.553 0.015 . 1 . . . 258 VAL H . 15849 1 1105 . 1 1 87 87 VAL HA H 1 3.786 0.015 . 1 . . . 258 VAL HA . 15849 1 1106 . 1 1 87 87 VAL HB H 1 2.157 0.015 . 1 . . . 258 VAL HB . 15849 1 1107 . 1 1 87 87 VAL HG11 H 1 0.841 0.015 . 1 . . . 258 VAL HG1 . 15849 1 1108 . 1 1 87 87 VAL HG12 H 1 0.841 0.015 . 1 . . . 258 VAL HG1 . 15849 1 1109 . 1 1 87 87 VAL HG13 H 1 0.841 0.015 . 1 . . . 258 VAL HG1 . 15849 1 1110 . 1 1 87 87 VAL HG21 H 1 0.721 0.015 . 1 . . . 258 VAL HG2 . 15849 1 1111 . 1 1 87 87 VAL HG22 H 1 0.721 0.015 . 1 . . . 258 VAL HG2 . 15849 1 1112 . 1 1 87 87 VAL HG23 H 1 0.721 0.015 . 1 . . . 258 VAL HG2 . 15849 1 1113 . 1 1 87 87 VAL C C 13 175.294 0.2 . 1 . . . 258 VAL C . 15849 1 1114 . 1 1 87 87 VAL CA C 13 65.296 0.2 . 1 . . . 258 VAL CA . 15849 1 1115 . 1 1 87 87 VAL CB C 13 32.493 0.2 . 1 . . . 258 VAL CB . 15849 1 1116 . 1 1 87 87 VAL CG1 C 13 22.632 0.2 . 1 . . . 258 VAL CG1 . 15849 1 1117 . 1 1 87 87 VAL CG2 C 13 22.299 0.2 . 1 . . . 258 VAL CG2 . 15849 1 1118 . 1 1 87 87 VAL N N 15 129.298 0.2 . 1 . . . 258 VAL N . 15849 1 1119 . 1 1 88 88 ASP H H 1 9.780 0.015 . 1 . . . 259 ASP H . 15849 1 1120 . 1 1 88 88 ASP HA H 1 4.950 0.015 . 1 . . . 259 ASP HA . 15849 1 1121 . 1 1 88 88 ASP HB2 H 1 2.656 0.015 . 2 . . . 259 ASP HB2 . 15849 1 1122 . 1 1 88 88 ASP HB3 H 1 2.656 0.015 . 2 . . . 259 ASP HB3 . 15849 1 1123 . 1 1 88 88 ASP C C 13 175.959 0.2 . 1 . . . 259 ASP C . 15849 1 1124 . 1 1 88 88 ASP CA C 13 55.067 0.2 . 1 . . . 259 ASP CA . 15849 1 1125 . 1 1 88 88 ASP CB C 13 43.020 0.2 . 1 . . . 259 ASP CB . 15849 1 1126 . 1 1 88 88 ASP N N 15 127.212 0.2 . 1 . . . 259 ASP N . 15849 1 1127 . 1 1 89 89 ASN H H 1 7.860 0.015 . 1 . . . 260 ASN H . 15849 1 1128 . 1 1 89 89 ASN HA H 1 4.770 0.015 . 1 . . . 260 ASN HA . 15849 1 1129 . 1 1 89 89 ASN HB2 H 1 2.647 0.015 . 2 . . . 260 ASN HB2 . 15849 1 1130 . 1 1 89 89 ASN HB3 H 1 2.595 0.015 . 2 . . . 260 ASN HB3 . 15849 1 1131 . 1 1 89 89 ASN HD21 H 1 7.634 0.015 . 1 . . . 260 ASN HD21 . 15849 1 1132 . 1 1 89 89 ASN HD22 H 1 6.844 0.015 . 1 . . . 260 ASN HD22 . 15849 1 1133 . 1 1 89 89 ASN C C 13 171.529 0.2 . 1 . . . 260 ASN C . 15849 1 1134 . 1 1 89 89 ASN CA C 13 53.480 0.2 . 1 . . . 260 ASN CA . 15849 1 1135 . 1 1 89 89 ASN CB C 13 42.212 0.2 . 1 . . . 260 ASN CB . 15849 1 1136 . 1 1 89 89 ASN CG C 13 176.738 0.2 . 1 . . . 260 ASN CG . 15849 1 1137 . 1 1 89 89 ASN N N 15 116.698 0.2 . 1 . . . 260 ASN N . 15849 1 1138 . 1 1 89 89 ASN ND2 N 15 113.449 0.2 . 1 . . . 260 ASN ND2 . 15849 1 1139 . 1 1 90 90 ILE H H 1 8.127 0.015 . 1 . . . 261 ILE H . 15849 1 1140 . 1 1 90 90 ILE HA H 1 5.236 0.015 . 1 . . . 261 ILE HA . 15849 1 1141 . 1 1 90 90 ILE HB H 1 1.397 0.015 . 1 . . . 261 ILE HB . 15849 1 1142 . 1 1 90 90 ILE HD11 H 1 0.565 0.015 . 1 . . . 261 ILE HD1 . 15849 1 1143 . 1 1 90 90 ILE HD12 H 1 0.565 0.015 . 1 . . . 261 ILE HD1 . 15849 1 1144 . 1 1 90 90 ILE HD13 H 1 0.565 0.015 . 1 . . . 261 ILE HD1 . 15849 1 1145 . 1 1 90 90 ILE HG12 H 1 1.446 0.015 . 2 . . . 261 ILE HG12 . 15849 1 1146 . 1 1 90 90 ILE HG13 H 1 0.569 0.015 . 2 . . . 261 ILE HG13 . 15849 1 1147 . 1 1 90 90 ILE HG21 H 1 -0.097 0.015 . 1 . . . 261 ILE HG2 . 15849 1 1148 . 1 1 90 90 ILE HG22 H 1 -0.097 0.015 . 1 . . . 261 ILE HG2 . 15849 1 1149 . 1 1 90 90 ILE HG23 H 1 -0.097 0.015 . 1 . . . 261 ILE HG2 . 15849 1 1150 . 1 1 90 90 ILE C C 13 171.546 0.2 . 1 . . . 261 ILE C . 15849 1 1151 . 1 1 90 90 ILE CA C 13 58.599 0.2 . 1 . . . 261 ILE CA . 15849 1 1152 . 1 1 90 90 ILE CB C 13 41.019 0.2 . 1 . . . 261 ILE CB . 15849 1 1153 . 1 1 90 90 ILE CD1 C 13 14.375 0.2 . 1 . . . 261 ILE CD1 . 15849 1 1154 . 1 1 90 90 ILE CG1 C 13 28.550 0.2 . 1 . . . 261 ILE CG1 . 15849 1 1155 . 1 1 90 90 ILE CG2 C 13 12.581 0.2 . 1 . . . 261 ILE CG2 . 15849 1 1156 . 1 1 90 90 ILE N N 15 121.454 0.2 . 1 . . . 261 ILE N . 15849 1 1157 . 1 1 91 91 GLY H H 1 8.357 0.015 . 1 . . . 262 GLY H . 15849 1 1158 . 1 1 91 91 GLY HA2 H 1 4.518 0.015 . 2 . . . 262 GLY HA2 . 15849 1 1159 . 1 1 91 91 GLY HA3 H 1 3.805 0.015 . 2 . . . 262 GLY HA3 . 15849 1 1160 . 1 1 91 91 GLY C C 13 171.989 0.2 . 1 . . . 262 GLY C . 15849 1 1161 . 1 1 91 91 GLY CA C 13 44.328 0.2 . 1 . . . 262 GLY CA . 15849 1 1162 . 1 1 91 91 GLY N N 15 112.280 0.2 . 1 . . . 262 GLY N . 15849 1 1163 . 1 1 92 92 ILE H H 1 9.023 0.015 . 1 . . . 263 ILE H . 15849 1 1164 . 1 1 92 92 ILE HA H 1 4.595 0.015 . 1 . . . 263 ILE HA . 15849 1 1165 . 1 1 92 92 ILE HB H 1 2.076 0.015 . 1 . . . 263 ILE HB . 15849 1 1166 . 1 1 92 92 ILE HD11 H 1 0.957 0.015 . 1 . . . 263 ILE HD1 . 15849 1 1167 . 1 1 92 92 ILE HD12 H 1 0.957 0.015 . 1 . . . 263 ILE HD1 . 15849 1 1168 . 1 1 92 92 ILE HD13 H 1 0.957 0.015 . 1 . . . 263 ILE HD1 . 15849 1 1169 . 1 1 92 92 ILE HG12 H 1 1.695 0.015 . 2 . . . 263 ILE HG12 . 15849 1 1170 . 1 1 92 92 ILE HG13 H 1 1.652 0.015 . 2 . . . 263 ILE HG13 . 15849 1 1171 . 1 1 92 92 ILE HG21 H 1 0.916 0.015 . 1 . . . 263 ILE HG2 . 15849 1 1172 . 1 1 92 92 ILE HG22 H 1 0.916 0.015 . 1 . . . 263 ILE HG2 . 15849 1 1173 . 1 1 92 92 ILE HG23 H 1 0.916 0.015 . 1 . . . 263 ILE HG2 . 15849 1 1174 . 1 1 92 92 ILE C C 13 176.634 0.2 . 1 . . . 263 ILE C . 15849 1 1175 . 1 1 92 92 ILE CA C 13 59.505 0.2 . 1 . . . 263 ILE CA . 15849 1 1176 . 1 1 92 92 ILE CB C 13 36.938 0.2 . 1 . . . 263 ILE CB . 15849 1 1177 . 1 1 92 92 ILE CD1 C 13 10.753 0.2 . 1 . . . 263 ILE CD1 . 15849 1 1178 . 1 1 92 92 ILE CG1 C 13 27.365 0.2 . 1 . . . 263 ILE CG1 . 15849 1 1179 . 1 1 92 92 ILE CG2 C 13 17.806 0.2 . 1 . . . 263 ILE CG2 . 15849 1 1180 . 1 1 92 92 ILE N N 15 122.874 0.2 . 1 . . . 263 ILE N . 15849 1 1181 . 1 1 93 93 ILE H H 1 9.047 0.015 . 1 . . . 264 ILE H . 15849 1 1182 . 1 1 93 93 ILE HA H 1 4.181 0.015 . 1 . . . 264 ILE HA . 15849 1 1183 . 1 1 93 93 ILE HB H 1 1.690 0.015 . 1 . . . 264 ILE HB . 15849 1 1184 . 1 1 93 93 ILE HD11 H 1 0.730 0.015 . 1 . . . 264 ILE HD1 . 15849 1 1185 . 1 1 93 93 ILE HD12 H 1 0.730 0.015 . 1 . . . 264 ILE HD1 . 15849 1 1186 . 1 1 93 93 ILE HD13 H 1 0.730 0.015 . 1 . . . 264 ILE HD1 . 15849 1 1187 . 1 1 93 93 ILE HG12 H 1 1.394 0.015 . 2 . . . 264 ILE HG12 . 15849 1 1188 . 1 1 93 93 ILE HG13 H 1 1.095 0.015 . 2 . . . 264 ILE HG13 . 15849 1 1189 . 1 1 93 93 ILE HG21 H 1 0.869 0.015 . 1 . . . 264 ILE HG2 . 15849 1 1190 . 1 1 93 93 ILE HG22 H 1 0.869 0.015 . 1 . . . 264 ILE HG2 . 15849 1 1191 . 1 1 93 93 ILE HG23 H 1 0.869 0.015 . 1 . . . 264 ILE HG2 . 15849 1 1192 . 1 1 93 93 ILE C C 13 175.930 0.2 . 1 . . . 264 ILE C . 15849 1 1193 . 1 1 93 93 ILE CA C 13 61.196 0.2 . 1 . . . 264 ILE CA . 15849 1 1194 . 1 1 93 93 ILE CB C 13 38.474 0.2 . 1 . . . 264 ILE CB . 15849 1 1195 . 1 1 93 93 ILE CD1 C 13 12.223 0.2 . 1 . . . 264 ILE CD1 . 15849 1 1196 . 1 1 93 93 ILE CG1 C 13 27.237 0.2 . 1 . . . 264 ILE CG1 . 15849 1 1197 . 1 1 93 93 ILE CG2 C 13 17.384 0.2 . 1 . . . 264 ILE CG2 . 15849 1 1198 . 1 1 93 93 ILE N N 15 129.183 0.2 . 1 . . . 264 ILE N . 15849 1 1199 . 1 1 94 94 GLU H H 1 8.137 0.015 . 1 . . . 265 GLU H . 15849 1 1200 . 1 1 94 94 GLU HA H 1 4.422 0.015 . 1 . . . 265 GLU HA . 15849 1 1201 . 1 1 94 94 GLU HB2 H 1 1.988 0.015 . 2 . . . 265 GLU HB2 . 15849 1 1202 . 1 1 94 94 GLU HB3 H 1 1.911 0.015 . 2 . . . 265 GLU HB3 . 15849 1 1203 . 1 1 94 94 GLU HG2 H 1 2.234 0.015 . 2 . . . 265 GLU HG2 . 15849 1 1204 . 1 1 94 94 GLU HG3 H 1 2.237 0.015 . 2 . . . 265 GLU HG3 . 15849 1 1205 . 1 1 94 94 GLU C C 13 175.557 0.2 . 1 . . . 265 GLU C . 15849 1 1206 . 1 1 94 94 GLU CA C 13 56.065 0.2 . 1 . . . 265 GLU CA . 15849 1 1207 . 1 1 94 94 GLU CB C 13 31.725 0.2 . 1 . . . 265 GLU CB . 15849 1 1208 . 1 1 94 94 GLU CG C 13 36.222 0.2 . 1 . . . 265 GLU CG . 15849 1 1209 . 1 1 94 94 GLU N N 15 122.628 0.2 . 1 . . . 265 GLU N . 15849 1 1210 . 1 1 95 95 LYS H H 1 8.632 0.015 . 1 . . . 266 LYS H . 15849 1 1211 . 1 1 95 95 LYS HA H 1 4.344 0.015 . 1 . . . 266 LYS HA . 15849 1 1212 . 1 1 95 95 LYS HB2 H 1 1.818 0.015 . 2 . . . 266 LYS HB2 . 15849 1 1213 . 1 1 95 95 LYS HB3 H 1 1.706 0.015 . 2 . . . 266 LYS HB3 . 15849 1 1214 . 1 1 95 95 LYS HD2 H 1 1.656 0.015 . 2 . . . 266 LYS HD2 . 15849 1 1215 . 1 1 95 95 LYS HD3 H 1 1.656 0.015 . 2 . . . 266 LYS HD3 . 15849 1 1216 . 1 1 95 95 LYS HE2 H 1 2.974 0.015 . 2 . . . 266 LYS HE2 . 15849 1 1217 . 1 1 95 95 LYS HE3 H 1 2.975 0.015 . 2 . . . 266 LYS HE3 . 15849 1 1218 . 1 1 95 95 LYS HG2 H 1 1.461 0.015 . 2 . . . 266 LYS HG2 . 15849 1 1219 . 1 1 95 95 LYS HG3 H 1 1.370 0.015 . 2 . . . 266 LYS HG3 . 15849 1 1220 . 1 1 95 95 LYS C C 13 176.990 0.2 . 1 . . . 266 LYS C . 15849 1 1221 . 1 1 95 95 LYS CA C 13 56.276 0.2 . 1 . . . 266 LYS CA . 15849 1 1222 . 1 1 95 95 LYS CB C 13 33.345 0.2 . 1 . . . 266 LYS CB . 15849 1 1223 . 1 1 95 95 LYS CD C 13 29.199 0.2 . 1 . . . 266 LYS CD . 15849 1 1224 . 1 1 95 95 LYS CE C 13 42.046 0.2 . 1 . . . 266 LYS CE . 15849 1 1225 . 1 1 95 95 LYS CG C 13 25.061 0.2 . 1 . . . 266 LYS CG . 15849 1 1226 . 1 1 95 95 LYS N N 15 124.835 0.2 . 1 . . . 266 LYS N . 15849 1 1227 . 1 1 96 96 SER H H 1 8.896 0.015 . 1 . . . 267 SER H . 15849 1 1228 . 1 1 96 96 SER HA H 1 4.311 0.015 . 1 . . . 267 SER HA . 15849 1 1229 . 1 1 96 96 SER HB2 H 1 3.930 0.015 . 2 . . . 267 SER HB2 . 15849 1 1230 . 1 1 96 96 SER HB3 H 1 3.806 0.015 . 2 . . . 267 SER HB3 . 15849 1 1231 . 1 1 96 96 SER C C 13 175.425 0.2 . 1 . . . 267 SER C . 15849 1 1232 . 1 1 96 96 SER CA C 13 58.696 0.2 . 1 . . . 267 SER CA . 15849 1 1233 . 1 1 96 96 SER CB C 13 63.785 0.2 . 1 . . . 267 SER CB . 15849 1 1234 . 1 1 96 96 SER N N 15 117.785 0.2 . 1 . . . 267 SER N . 15849 1 1235 . 1 1 97 97 LEU H H 1 8.433 0.015 . 1 . . . 268 LEU H . 15849 1 1236 . 1 1 97 97 LEU HA H 1 4.286 0.015 . 1 . . . 268 LEU HA . 15849 1 1237 . 1 1 97 97 LEU HB2 H 1 1.621 0.015 . 2 . . . 268 LEU HB2 . 15849 1 1238 . 1 1 97 97 LEU HB3 H 1 1.549 0.015 . 2 . . . 268 LEU HB3 . 15849 1 1239 . 1 1 97 97 LEU HD11 H 1 0.901 0.015 . 1 . . . 268 LEU HD1 . 15849 1 1240 . 1 1 97 97 LEU HD12 H 1 0.901 0.015 . 1 . . . 268 LEU HD1 . 15849 1 1241 . 1 1 97 97 LEU HD13 H 1 0.901 0.015 . 1 . . . 268 LEU HD1 . 15849 1 1242 . 1 1 97 97 LEU HD21 H 1 0.842 0.015 . 1 . . . 268 LEU HD2 . 15849 1 1243 . 1 1 97 97 LEU HD22 H 1 0.842 0.015 . 1 . . . 268 LEU HD2 . 15849 1 1244 . 1 1 97 97 LEU HD23 H 1 0.842 0.015 . 1 . . . 268 LEU HD2 . 15849 1 1245 . 1 1 97 97 LEU HG H 1 1.627 0.015 . 1 . . . 268 LEU HG . 15849 1 1246 . 1 1 97 97 LEU C C 13 177.584 0.2 . 1 . . . 268 LEU C . 15849 1 1247 . 1 1 97 97 LEU CA C 13 55.657 0.2 . 1 . . . 268 LEU CA . 15849 1 1248 . 1 1 97 97 LEU CB C 13 42.137 0.2 . 1 . . . 268 LEU CB . 15849 1 1249 . 1 1 97 97 LEU CD1 C 13 25.023 0.2 . 1 . . . 268 LEU CD1 . 15849 1 1250 . 1 1 97 97 LEU CD2 C 13 23.451 0.2 . 1 . . . 268 LEU CD2 . 15849 1 1251 . 1 1 97 97 LEU CG C 13 26.956 0.2 . 1 . . . 268 LEU CG . 15849 1 1252 . 1 1 97 97 LEU N N 15 123.920 0.2 . 1 . . . 268 LEU N . 15849 1 1253 . 1 1 98 98 GLU H H 1 8.183 0.015 . 1 . . . 269 GLU H . 15849 1 1254 . 1 1 98 98 GLU HA H 1 4.133 0.015 . 1 . . . 269 GLU HA . 15849 1 1255 . 1 1 98 98 GLU HB2 H 1 1.894 0.015 . 2 . . . 269 GLU HB2 . 15849 1 1256 . 1 1 98 98 GLU HB3 H 1 1.857 0.015 . 2 . . . 269 GLU HB3 . 15849 1 1257 . 1 1 98 98 GLU HG2 H 1 2.200 0.015 . 2 . . . 269 GLU HG2 . 15849 1 1258 . 1 1 98 98 GLU HG3 H 1 2.123 0.015 . 2 . . . 269 GLU HG3 . 15849 1 1259 . 1 1 98 98 GLU C C 13 176.501 0.2 . 1 . . . 269 GLU C . 15849 1 1260 . 1 1 98 98 GLU CA C 13 56.919 0.2 . 1 . . . 269 GLU CA . 15849 1 1261 . 1 1 98 98 GLU CB C 13 30.093 0.2 . 1 . . . 269 GLU CB . 15849 1 1262 . 1 1 98 98 GLU CG C 13 36.171 0.2 . 1 . . . 269 GLU CG . 15849 1 1263 . 1 1 98 98 GLU N N 15 120.326 0.2 . 1 . . . 269 GLU N . 15849 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 15849 _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 12 _Spectral_peak_list.Experiment_name '3D simultaneous CN NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details ; N15 peak list from 3D simultaneous CN-NOESY in H2O, Bruker 800. This peak list is the final N15 peak list used for RPF analysis Partially assigned; 1197 peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note R223HD2-NE-HE 3.081 84.347 7.122 83060 R202HD2-NE-HE 3.145 84.738 7.187 125560 R202HD3-NE-HE 3.109 84.858 7.186 105138 ?-?-? 2.594 107.837 8.096 93482 ?-?-? 4.092 107.863 8.091 198281 D204H-G205N-H 7.637 107.884 8.089 543926 G205HA2-N-H 4.351 107.889 8.088 731860 ?-?-? 3.118 107.891 8.088 93480 ?-?-? 8.911 107.892 8.090 122365 G205HA3-N-H 3.730 107.897 8.088 1121313 G205H-N-H 8.088 107.897 8.088 6826115 D204HA-G205N-H 4.518 107.899 8.088 328933 ?-?-? 1.964 107.904 8.088 185210 ?-?-? 1.189 107.909 8.089 94319 L254H-G253N-H 8.694 109.226 7.467 156286 S252H-G253N-H 8.488 109.252 7.467 222618 G253HA2-N-H 4.416 109.262 7.466 586775 ?-?-? 4.336 109.262 7.464 169208 ?-?-? 3.786 109.262 7.465 282137 G253H-N-H 7.466 109.263 7.467 5977740 G253HA3-N-H 3.854 109.265 7.467 890329 S252HA-G253N-H 4.551 109.273 7.466 481594 G250H-G253N-H 8.144 109.304 7.468 171859 ?-?-? 1.916 109.776 7.303 109115 ?-?-? 1.081 109.801 6.849 165215 E242HA-N188ND2-HD22 5.067 109.807 6.849 95559 ?-?-? 8.994 109.817 6.852 98630 ?-?-? 5.074 109.819 7.304 141329 ?-?-? 5.558 109.823 7.304 189152 ?-?-? 8.988 109.825 7.300 117890 N188HD21-ND2-HD21 7.303 109.827 7.304 9631355 ?-?-? 0.739 109.827 6.850 217907 N188HA-ND2-HD22 5.554 109.828 6.849 107724 N188HD22-ND2-HD22 6.848 109.831 6.850 8737248 ?-?-? 1.076 109.833 7.305 146323 N188HD22-ND2-HD21 6.848 109.837 7.304 5905000 N188HD21-ND2-HD22 7.303 109.838 6.850 5685049 N188HB2-ND2-HD22 2.682 109.841 6.848 123088 ?-?-? 2.038 109.843 7.304 111050 ?-?-? 1.909 109.844 6.848 130579 ?-?-? 2.044 109.854 6.849 153909 N188HB2-ND2-HD21 2.683 109.856 7.305 162080 ?-?-? 0.738 109.857 7.304 212376 G224HA2-N-H 5.498 109.858 9.057 288319 ?-?-? 0.731 109.862 9.057 233534 N188HB3-ND2-HD21 2.489 109.863 7.302 108613 R223HG2-G224N-H 1.549 109.869 9.057 351069 R223HG3-G224N-H 1.470 109.869 9.057 383968 ?-?-? 0.648 109.869 9.056 215685 G224H-N-H 9.054 109.870 9.057 3668206 G224HA3-N-H 3.038 109.873 9.057 508677 R223HA-G224N-H 4.927 109.874 9.057 972034 R223HB3-G224N-H 1.748 109.881 9.057 176149 F214HA-G224N-H 5.249 109.888 9.056 246563 R223HB2-G224N-H 1.876 109.896 9.056 206201 ?-?-? 0.744 110.175 8.562 163791 Y246HA-G185N-H 5.085 110.188 8.563 239207 S184HB3-G185N-H 3.711 110.189 8.563 362419 T186H-G185N-H 8.285 110.194 8.563 150511 ?-?-? 0.566 110.195 8.561 118342 S184HB2-G185N-H 3.767 110.197 8.563 302623 G185H-N-H 8.563 110.198 8.563 4390781 S184HA-G185N-H 5.550 110.201 8.563 1304683 G185HA3-N-H 4.105 110.203 8.562 343312 G245H-G185N-H 8.813 110.208 8.563 431225 G185HA2-N-H 4.580 110.213 8.563 404932 D218HA-G220N-H 4.511 110.604 7.676 121135 K216HA-G220N-H 5.252 110.611 7.676 101333 T219HA-G220N-H 4.658 110.614 7.675 215527 D217H-G220N-H 8.921 110.633 7.676 435755 D218H-G220N-H 8.997 110.638 7.676 195623 G220HA2-N-H 4.087 110.639 7.676 855910 I176HB-G220N-H 1.612 110.643 7.675 226089 I176HG2-G220N-H 0.495 110.643 7.676 239795 T219H-G220N-H 9.627 110.645 7.675 1207699 G220H-N-H 7.675 110.646 7.676 4816193 ?-?-? 6.786 110.646 7.676 410911 T219HG2-G220N-H 1.143 110.648 7.677 273124 S221H-G220N-H 8.257 110.655 7.675 152234 I176HD1-G220N-H 0.658 110.663 7.675 173644 R202H-G208N-H 8.914 111.086 8.226 112278 G208HA2-N-H 4.431 111.131 8.227 403063 G208HA3-N-H 3.076 111.135 8.225 562524 K207HB2-G208N-H 1.713 111.137 8.227 534701 R202HG3-G208N-H 1.491 111.142 8.225 163270 K207HA-G208N-H 4.903 111.143 8.227 1442545 G208H-N-H 8.227 111.145 8.227 5665408 ?-?-? 5.149 111.186 8.229 99185 T219HB-N-H 4.363 111.625 9.629 102368 T219H-N-H 9.629 111.625 9.629 2143958 D218H-T219N-H 8.995 111.625 9.629 364518 T219HG2-N-H 1.138 111.625 9.629 498383 ?-?-? 6.788 111.629 9.628 548315 G220H-T219N-H 7.675 111.633 9.629 827705 T219HA-N-H 4.657 111.634 9.629 252277 G220HA2-T219N-H 4.085 111.636 9.628 116130 ?-?-? 1.605 111.638 9.632 126966 D218HA-T219N-H 4.513 111.652 9.631 161581 D218HB3-T219N-H 2.803 111.668 9.630 94397 ?-?-? 3.857 111.773 7.560 116976 ?-?-? 0.614 111.786 6.800 151423 ?-?-? 4.300 111.800 7.563 92912 G250H-Q249NE2-HE21 8.141 111.802 7.563 122304 Q249HE21-NE2-HE21 7.559 111.813 7.561 10019080 Q249HE22-NE2-HE22 6.799 111.814 6.801 11927872 ?-?-? 0.610 111.815 7.562 102713 Q249HE21-NE2-HE22 7.559 111.822 6.801 7073872 Q249HE22-NE2-HE21 6.799 111.822 7.561 6169519 Q249HG2-NE2-HE21 2.335 111.825 7.559 187710 Q249HG3-NE2-HE21 2.240 111.825 7.559 514019 Q249HG2-NE2-HE22 2.335 111.825 6.799 112946 Q249HG3-NE2-HE22 2.240 111.825 6.799 281041 G220H-S221N-H 7.678 111.867 8.260 124245 ?-?-? 3.856 111.868 6.801 139487 ?-?-? 0.666 111.872 8.258 152132 K216HA-S221N-H 5.253 111.873 8.254 89779 S221HB3-N-H 3.677 111.879 8.256 460091 S221HA-N-H 5.658 111.880 8.255 297083 S221H-N-H 8.255 111.880 8.255 5788878 ?-?-? 4.087 111.881 8.256 1736533 ?-?-? 1.603 111.883 8.256 112398 ?-?-? 0.492 111.892 8.256 535375 G245H-N-H 8.809 112.020 8.809 3761553 ?-?-? 0.778 112.020 8.810 155956 G185H-G245N-H 8.562 112.029 8.811 373541 S244HB2-G245N-H 3.891 112.037 8.811 280558 I256HD1-G245N-H 0.562 112.040 8.810 309206 G245HA2-N-H 4.613 112.041 8.811 325684 G245HA3-N-H 4.340 112.041 8.810 356185 ?-?-? 0.728 112.043 8.812 143761 S244HA-G245N-H 5.940 112.044 8.811 1005002 S244HB3-G245N-H 3.714 112.046 8.811 207096 T186HA-G245N-H 5.539 112.047 8.811 325035 ?-?-? 1.076 112.056 8.809 116230 Y246H-G245N-H 8.072 112.084 8.815 92610 V243HA-G262N-H 4.677 112.272 8.359 136096 V243HG2-G262N-H 0.778 112.276 8.359 244020 I261HD1-G262N-H 0.571 112.278 8.358 603781 E242HB2-G262N-H 1.934 112.279 8.356 183930 G262H-N-H 8.357 112.280 8.357 2793170 I261HA-G262N-H 5.236 112.280 8.357 1082463 I261HG12-G262N-H 1.446 112.280 8.358 469200 E242H-G262N-H 9.001 112.281 8.357 396935 I261HB-G262N-H 1.398 112.281 8.358 478725 G262HA2-N-H 4.538 112.283 8.358 302912 A241HB-G262N-H 1.078 112.284 8.357 206761 G262HA3-N-H 3.811 112.295 8.359 420784 ?-?-? 1.084 112.308 7.477 121211 ?-?-? 1.078 112.315 6.855 170833 ?-?-? -0.097 112.316 8.360 126329 N173HD21-ND2-HD21 7.475 112.320 7.477 6803070 N173HB2-ND2-HD21 2.636 112.320 7.476 245193 N173HB3-ND2-HD21 2.532 112.337 7.477 219781 N173HD22-ND2-HD21 6.855 112.339 7.476 4828804 N173HD21-ND2-HD22 7.475 112.341 6.857 4810958 N173HB2-ND2-HD22 2.622 112.342 6.855 127149 N173HB3-ND2-HD22 2.536 112.342 6.855 157591 N173HD22-ND2-HD22 6.855 112.348 6.858 6930364 L230HA-D232N-H 4.348 112.722 7.000 177351 D232H-N-H 6.997 112.739 6.997 6361297 A231HA-D232N-H 3.955 112.739 6.997 141670 Q209HB2-NE2-HE22 2.459 112.739 7.017 452764 F233H-D232N-H 7.833 112.741 6.997 1495229 D232HA-N-H 4.804 112.746 6.999 439725 D232HB2-N-H 2.958 112.750 6.998 572404 D232HB3-N-H 2.473 112.754 7.000 826493 A231HB-D232N-H 1.218 112.796 7.008 573027 ?-?-? 4.230 112.805 7.013 202387 ?-?-? 4.224 112.811 7.278 151791 ?-?-? 1.218 112.817 7.279 377056 ?-?-? 3.304 112.819 7.000 136043 Q209HG2-NE2-HE21 2.300 112.826 7.280 463909 Q209HB2-NE2-HE21 2.453 112.831 7.279 298588 ?-?-? 7.820 112.836 7.280 125584 Q209HE21-NE2-HE21 7.276 112.841 7.276 3036332 Q209HE22-NE2-HE22 7.017 112.841 7.017 5396924 Q209HE21-NE2-HE22 7.276 112.841 7.017 3065090 Q209HE22-NE2-HE21 7.017 112.841 7.276 2791918 Q209HG2-NE2-HE22 2.301 112.841 7.017 374290 Q209HG3-NE2-HE22 1.652 112.841 7.017 106449 Y251HA-S252N-H 4.310 112.911 8.491 105959 S252HB2-N-H 3.779 112.929 8.492 260001 Y251HB3-S252N-H 3.049 112.931 8.493 191763 S252H-N-H 8.492 112.935 8.492 493212 S252HA-N-H 4.552 112.937 8.493 235054 G253H-S252N-H 7.466 112.955 8.493 201983 ?-?-? 3.730 113.291 8.024 204587 ?-?-? 1.971 113.322 8.023 278851 T206HA-N-H 4.384 113.323 8.020 701532 T206HB-N-H 4.261 113.323 8.020 223332 T206H-N-H 8.020 113.323 8.020 6671996 T206HG2-N-H 1.178 113.323 8.020 820434 ?-?-? 3.087 113.323 8.015 291885 K207H-T206N-H 8.432 113.343 8.021 119958 R202H-T206N-H 8.912 113.364 8.021 126573 D204H-T206N-H 7.631 113.405 8.023 161518 ?-?-? 4.784 113.429 6.845 111936 N260HD21-ND2-HD21 7.636 113.437 7.637 12184565 N260HD22-ND2-HD22 6.844 113.449 6.844 14118190 N260HD21-ND2-HD22 7.634 113.449 6.844 7717352 N260HB2-ND2-HD21 2.648 113.449 7.637 288337 N260HB3-ND2-HD21 2.595 113.449 7.637 358429 N260HB2-ND2-HD22 2.647 113.449 6.844 188778 N260HB3-ND2-HD22 2.595 113.449 6.844 204174 N260HD22-ND2-HD21 6.843 113.451 7.637 7359276 ?-?-? 4.793 113.474 7.638 142747 G208HA2-Q209N-H 4.430 113.694 8.001 939959 G208HA3-Q209N-H 3.075 113.708 8.000 914260 Q209HB2-N-H 2.455 113.711 7.997 369502 Q209HB3-N-H 2.222 113.711 7.997 223284 Q209H-N-H 7.997 113.711 7.997 5473833 Q209HG2-N-H 2.301 113.711 7.997 278919 Q209HG3-N-H 1.639 113.711 7.997 178250 N228HA-Q209N-H 4.543 113.711 7.999 353018 N228H-Q209N-H 9.420 113.718 8.001 232137 Q209HA-N-H 5.600 113.724 8.001 295314 F200HE2-Q209N-H 7.344 113.740 7.999 218091 L210H-Q209N-H 9.060 113.748 8.002 120909 ?-?-? 8.102 113.806 7.638 426298 T219HG2-D218N-H 1.149 114.499 9.002 139279 D218H-N-H 8.999 114.505 9.000 2872048 D218HA-N-H 4.509 114.508 9.000 355672 D217HA-D218N-H 5.152 114.508 9.000 457798 D217HB2-D218N-H 3.474 114.516 9.000 751486 D217HB3-D218N-H 3.071 114.516 9.000 527532 D218HB2-N-H 2.797 114.519 8.999 576770 T219H-D218N-H 9.628 114.519 9.001 353965 G220H-D218N-H 7.669 114.552 9.003 108972 ?-?-? 1.863 114.609 7.074 105713 N182HD21-ND2-HD21 7.689 114.646 7.691 5957354 N182HD22-ND2-HD21 7.076 114.669 7.691 4367252 N182HD22-ND2-HD22 7.076 114.671 7.076 6782468 N182HD21-ND2-HD22 7.687 114.671 7.076 4731746 N182HB2-ND2-HD21 3.181 114.671 7.687 646529 N182HB3-ND2-HD21 3.117 114.671 7.687 484884 N182HB2-ND2-HD22 3.181 114.671 7.076 391408 N182HB3-ND2-HD22 3.117 114.671 7.076 331356 N182HA-N-H 4.203 114.771 8.810 992802 N182HB2-N-H 3.181 114.771 8.810 180949 N182HB3-N-H 3.117 114.771 8.810 206564 N182H-N-H 8.810 114.771 8.810 2812048 P181HA-N182N-H 3.752 114.778 8.811 1116230 L183H-N182N-H 7.162 114.783 8.810 505766 P181HB2-N182N-H 2.163 114.783 8.810 413489 P181HB3-N182N-H 1.859 114.783 8.811 232555 K248HA-N182N-H 4.737 114.785 8.811 251645 V247HG1-N182N-H 0.582 114.793 8.810 307977 ?-?-? 10.033 115.210 8.106 116079 N228HB2-ND2-HD21 3.315 115.264 8.105 441649 N228HD21-ND2-HD21 8.104 115.283 8.104 2523863 N228HD22-ND2-HD22 7.150 115.283 7.150 2761074 N228HD21-ND2-HD22 8.104 115.283 7.150 2066853 N228HD22-ND2-HD21 7.150 115.283 8.104 1970328 N228HB3-ND2-HD21 3.065 115.283 8.104 261741 N228HB2-ND2-HD22 3.308 115.283 7.150 345784 N228HB3-ND2-HD22 3.065 115.283 7.150 235636 K175HA-S177N-H 4.557 115.290 8.993 91508 ?-?-? 2.404 115.315 8.993 179710 ?-?-? 0.493 115.317 8.990 234083 ?-?-? 1.566 115.322 8.991 293771 S177HB3-N-H 3.731 115.323 8.992 310681 ?-?-? 6.789 115.323 8.991 316869 I176H-S177N-H 10.393 115.330 8.990 208239 T219HB-S177N-H 4.366 115.333 8.991 230047 S177HA-N-H 4.085 115.336 8.989 585892 S177HB2-N-H 4.072 115.336 8.989 585892 ?-?-? 1.627 115.336 8.991 332959 S177H-N-H 8.989 115.337 8.991 2624926 E178H-S177N-H 7.792 115.337 8.990 252176 T219HG2-S177N-H 1.140 115.339 8.991 233421 ?-?-? 0.666 115.348 8.989 103208 ?-?-? 4.645 115.478 7.638 118309 ?-?-? 1.687 115.502 7.635 97663 D204HB2-N-H 3.122 115.520 7.638 405905 D204HA-N-H 4.519 115.521 7.637 592416 ?-?-? 1.916 115.524 7.636 695924 D204H-N-H 7.636 115.528 7.637 6020250 D204HB3-N-H 2.591 115.529 7.634 540877 ?-?-? 1.967 115.529 7.636 650344 K203H-D204N-H 8.904 115.532 7.638 117822 K203HA-D204N-H 4.096 115.533 7.637 247370 G205H-D204N-H 8.082 115.544 7.637 621394 ?-?-? 1.525 115.544 7.638 140112 G185H-S184N-H 8.561 116.112 8.250 131691 G185HA3-T186N-H 4.104 116.133 8.297 552916 Y174HD1-T186N-H 6.921 116.137 8.296 255932 T186HA-N-H 5.536 116.140 8.296 209607 T186HB-N-H 3.835 116.140 8.296 573521 T186H-N-H 8.296 116.140 8.296 3219425 G185H-T186N-H 8.559 116.140 8.296 129286 T186HG2-N-H 1.078 116.140 8.296 192259 N173HA-T186N-H 5.271 116.142 8.296 270061 G185HA2-T186N-H 4.568 116.146 8.287 713689 ?-?-? 0.710 116.148 8.248 302529 ?-?-? 0.570 116.153 8.247 195851 Y174HE2-T186N-H 6.799 116.160 8.298 121194 S184HB2-N-H 3.767 116.161 8.245 446962 S184HB3-N-H 3.705 116.161 8.245 445181 S184H-N-H 8.245 116.161 8.245 6001080 L183H-S184N-H 7.161 116.161 8.245 101864 Y174H-T186N-H 8.835 116.161 8.294 152872 ?-?-? 1.391 116.161 8.247 369628 L183HA-S184N-H 4.538 116.164 8.248 1868482 ?-?-? 1.465 116.166 8.247 562348 S184HA-N-H 5.550 116.175 8.249 300918 ?-?-? 7.537 116.248 8.139 99488 ?-?-? 1.859 116.249 8.140 221728 Q249H-G250N-H 8.832 116.261 8.139 249005 L254H-G250N-H 8.704 116.261 8.138 92654 F200H-S201N-H 8.184 116.262 8.790 104560 G250HA3-N-H 3.875 116.265 8.141 743166 L254HD2-G250N-H 0.608 116.265 8.141 342486 E255H-G250N-H 8.797 116.265 8.139 255254 G250H-N-H 8.141 116.270 8.140 5695206 S201HA-N-H 4.938 116.274 8.793 322298 S201HB2-N-H 3.837 116.274 8.793 546184 S201HB3-N-H 3.767 116.274 8.793 731065 S201H-N-H 8.793 116.274 8.793 3901677 F200HA-S201N-H 5.053 116.274 8.793 1340300 Q249HA-G250N-H 4.302 116.274 8.140 1544118 G250HA2-N-H 4.537 116.275 8.141 522128 L254HA-G250N-H 4.626 116.275 8.140 501028 F200HB2-S201N-H 3.176 116.275 8.793 590361 ?-?-? 2.234 116.276 8.141 180658 F200HD2-S201N-H 6.936 116.279 8.792 238924 F200HB3-S201N-H 2.966 116.283 8.793 423944 ?-?-? 2.063 116.285 8.140 212775 ?-?-? 7.472 116.340 8.140 111241 G238HA2-N-H 4.486 116.378 9.377 424208 G238HA3-N-H 3.709 116.379 9.374 1437154 K237HA-G238N-H 3.752 116.379 9.373 1528106 G238H-N-H 9.377 116.383 9.377 2152331 D239H-G238N-H 8.123 116.385 9.377 368279 ?-?-? 1.442 116.388 9.378 213050 V191HG1-G238N-H 0.690 116.392 9.377 296747 ?-?-? 1.697 116.398 9.376 226597 K237H-G238N-H 8.383 116.406 9.376 102890 ?-?-? 1.257 116.408 9.376 151843 V191HB-G238N-H 2.427 116.414 9.377 246414 ?-?-? 1.470 116.436 6.467 209676 ?-?-? 0.954 116.437 6.467 316923 M180HA-N-H 4.734 116.450 6.468 228367 M180HB2-N-H 2.047 116.450 6.468 179085 M180HB3-N-H 1.691 116.450 6.468 345082 M180H-N-H 6.468 116.450 6.468 3635726 L179HA-M180N-H 3.595 116.450 6.468 1213462 M180HG2-N-H 2.470 116.450 6.468 207440 M180HG3-N-H 2.399 116.450 6.468 220937 M180HE-N-H 2.084 116.450 6.468 153839 ?-?-? 1.764 116.450 6.467 293840 ?-?-? 1.391 116.450 6.465 169020 ?-?-? 0.576 116.452 6.467 544144 ?-?-? 0.238 116.452 6.468 322766 ?-?-? 0.709 116.455 6.467 595377 M180H-L179N-H 6.469 116.508 7.263 112756 ?-?-? 2.500 116.512 7.262 91953 L179HB3-N-H 0.957 116.515 7.262 290309 L179HB2-N-H 1.772 116.521 7.258 737764 L179HG-N-H 1.839 116.521 7.258 794788 ?-?-? 0.557 116.521 7.259 171959 ?-?-? 2.272 116.522 7.260 148776 L179HD2-N-H 0.233 116.530 7.261 277458 ?-?-? 3.311 116.534 7.262 190870 E178H-L179N-H 7.791 116.537 7.262 687804 L179H-N-H 7.260 116.538 7.261 3158367 E178HA-L179N-H 4.250 116.538 7.260 138689 L179HD1-N-H 0.677 116.539 7.261 397454 L179HA-N-H 3.596 116.540 7.261 296731 S244H-N260N-H 8.886 116.668 7.860 272711 N260HA-N-H 4.770 116.698 7.860 351735 N260HB2-N-H 2.647 116.698 7.860 794169 N260HB3-N-H 2.595 116.698 7.860 601820 N260H-N-H 7.860 116.698 7.860 4283288 D259H-N260N-H 9.780 116.698 7.860 1017389 D259HA-N260N-H 4.950 116.698 7.860 223292 ?-?-? 4.637 116.698 7.856 123627 I261H-N260N-H 8.121 116.699 7.858 127427 ?-?-? 0.836 116.702 7.860 873965 ?-?-? 3.772 116.710 7.860 308053 T225HA-N-H 4.640 116.795 8.522 201464 T225HG2-N-H 0.138 116.798 8.521 172403 G224HA3-T225N-H 3.031 116.803 8.521 561244 S257HA-T225N-H 4.893 116.813 8.521 228493 T225H-N-H 8.523 116.818 8.521 3392226 G224HA2-T225N-H 5.496 116.821 8.522 753133 V258HG2-T225N-H 0.723 116.821 8.521 766397 T225HB-N-H 3.673 116.833 8.521 399805 G224H-T225N-H 9.048 116.838 8.521 270042 S267HA-N-H 4.311 117.785 8.898 1092405 S267H-N-H 8.896 117.785 8.896 2455891 K266HA-S267N-H 4.346 117.785 8.899 1025910 K266H-S267N-H 8.638 117.786 8.899 100173 S267HB3-N-H 3.804 117.787 8.900 302342 ?-?-? 4.622 117.788 8.901 215416 ?-?-? 1.686 117.794 8.900 138153 ?-?-? 1.825 117.795 8.899 156762 S267HB2-N-H 3.935 117.799 8.900 261070 L268H-S267N-H 8.440 117.819 8.901 83635 L215HA-A193N-H 5.343 118.578 7.772 94373 L213HA-A193N-H 5.204 118.600 7.767 104890 ?-?-? 1.454 118.613 7.767 112673 A193HA-N-H 4.358 118.623 7.767 295312 A193HB-N-H 1.205 118.623 7.767 639594 A193H-N-H 7.767 118.623 7.767 5643881 V192H-A193N-H 9.145 118.623 7.767 1183612 F214H-A193N-H 9.062 118.623 7.768 611007 ?-?-? 0.953 118.623 7.767 227856 F214HB3-A193N-H 3.049 118.623 7.769 358933 V191HG1-A193N-H 0.692 118.626 7.768 695008 V192HB-A193N-H 2.005 118.631 7.769 510551 V192HA-A193N-H 4.160 118.632 7.769 559232 F214HB2-A193N-H 3.110 118.633 7.769 444291 ?-?-? 0.868 118.633 7.769 438683 E255HA-N-H 5.086 118.732 8.803 308297 E255HB2-N-H 1.903 118.732 8.803 260867 E255HB3-N-H 1.741 118.732 8.803 550578 E255H-N-H 8.803 118.732 8.803 4289496 L254HA-E255N-H 4.641 118.732 8.803 1096800 E255HG2-N-H 2.031 118.732 8.803 271593 E255HG3-N-H 1.983 118.732 8.803 217610 K248H-E255N-H 9.085 118.734 8.804 378036 ?-?-? 0.597 118.738 8.804 760402 ?-?-? 1.145 118.739 8.805 357027 G250H-E255N-H 8.146 118.742 8.805 143126 ?-?-? 4.303 118.753 8.804 195030 ?-?-? 3.849 118.885 9.272 92902 I187HD1-N-H 0.555 118.922 9.271 252253 I187HB-N-H 1.911 118.923 9.272 261136 V243H-I187N-H 9.006 118.928 9.271 222582 T186HA-I187N-H 5.538 118.933 9.272 760335 I187HA-N-H 5.055 118.939 9.269 237464 I187H-N-H 9.269 118.939 9.269 2275709 I187HG13-N-H 1.074 118.939 9.271 865475 S244HA-I187N-H 5.945 118.942 9.271 188118 I187HG2-N-H 0.779 118.946 9.272 361616 I187HG12-N-H 1.304 118.952 9.271 244353 ?-?-? 3.061 118.957 7.934 120521 L230HA-N-H 4.349 118.973 7.932 555328 ?-?-? 1.214 118.974 7.932 148085 A231H-L230N-H 7.804 118.979 7.930 677638 L230HB2-N-H 1.941 118.982 7.931 1234901 L230H-N-H 7.931 118.982 7.931 5737120 E229H-L230N-H 10.032 118.982 7.931 331026 E229HA-L230N-H 4.225 118.982 7.931 179419 L230HG-N-H 1.899 118.982 7.931 846916 L230HD1-N-H 0.984 118.982 7.931 214176 L230HD2-N-H 0.895 118.982 7.931 260142 L230HB3-N-H 1.658 118.985 7.931 459096 ?-?-? 2.514 118.996 7.933 223771 ?-?-? 3.309 118.997 7.933 160060 D232H-L230N-H 6.999 119.001 7.931 92469 ?-?-? 2.205 119.010 7.933 308740 ?-?-? 4.811 119.038 8.239 260636 ?-?-? 4.537 119.059 8.241 105087 ?-?-? 3.039 119.071 8.239 106441 ?-?-? 4.129 119.072 8.240 114118 W227HE3-N228N-H 7.684 119.144 9.420 171894 N228HB2-N-H 3.336 119.167 9.420 305309 ?-?-? 3.243 119.168 9.416 161931 N228HB3-N-H 3.050 119.169 9.419 147222 N228HA-N-H 4.541 119.170 9.420 941739 N228H-N-H 9.420 119.170 9.420 2717050 W227HA-N228N-H 5.033 119.171 9.420 948276 ?-?-? 2.441 119.175 9.418 113133 ?-?-? 2.297 119.177 9.422 139842 Q209H-N228N-H 7.993 119.178 9.419 217031 L210HA-N228N-H 5.235 119.190 9.420 178776 ?-?-? 1.215 119.200 9.421 188518 L183HA-N-H 4.539 119.302 7.165 337277 V247H-L183N-H 8.562 119.336 7.164 191586 N182HB3-L183N-H 3.125 119.336 7.164 121844 F200H-L210N-H 8.187 119.347 9.061 85776 N182HA-L183N-H 4.204 119.349 7.164 423028 V247HB-L183N-H 2.183 119.356 7.164 470423 L183HD2-N-H 0.574 119.362 7.163 303064 N182H-L183N-H 8.808 119.364 7.164 647419 L183HB2-N-H 1.481 119.367 7.161 765208 L183HB3-N-H 1.384 119.367 7.161 636314 L183HG-N-H 1.459 119.367 7.162 807932 L183H-N-H 7.164 119.370 7.165 6137300 L183HD1-N-H 0.731 119.370 7.163 278232 F200HD1-L210N-H 6.929 119.376 9.063 96454 P181HA-L183N-H 3.750 119.379 7.163 231353 L210HA-N-H 5.239 119.380 9.063 185071 L210HB2-N-H 1.382 119.380 9.058 396439 L210HG-N-H 1.413 119.380 9.058 424070 L210HD1-N-H 0.332 119.380 9.058 85391 ?-?-? 5.175 119.380 9.064 225990 ?-?-? 1.737 119.380 9.063 218025 K198H-L210N-H 9.241 119.381 9.064 358914 Q209HA-L210N-H 5.598 119.384 9.063 1104797 L210H-N-H 9.061 119.385 9.063 3763035 F200HE1-L210N-H 7.336 119.387 9.065 102176 K207HA-N-H 4.901 119.391 8.423 311831 L210HB3-N-H 0.782 119.393 9.067 90376 ?-?-? 1.215 119.394 9.065 150452 ?-?-? 2.226 119.395 9.063 299572 L210HD2-N-H 0.471 119.400 9.064 234666 ?-?-? 1.638 119.403 9.063 372267 N182HB2-L183N-H 3.172 119.404 7.163 123067 K197HA-L210N-H 4.577 119.406 9.066 135524 T206HB-K207N-H 4.260 119.430 8.422 1121831 K207HB3-N-H 1.710 119.442 8.420 1322454 K207HG2-N-H 1.437 119.442 8.420 240924 K207HG3-N-H 1.350 119.442 8.420 239701 K207HD2-N-H 1.564 119.442 8.420 100405 K207HD3-N-H 1.537 119.442 8.420 108151 T206HA-K207N-H 4.386 119.447 8.422 1869291 ?-?-? 1.179 119.449 8.422 523346 ?-?-? 1.705 119.449 8.176 146254 K207H-N-H 8.422 119.453 8.422 7220438 E199HG3-F200N-H 2.246 119.480 8.178 286613 F200HB3-N-H 2.966 119.481 8.178 180219 F200HA-N-H 5.053 119.486 8.174 507644 F200H-N-H 8.174 119.486 8.174 6927404 E199H-F200N-H 8.547 119.486 8.174 188641 E199HA-F200N-H 5.151 119.486 8.174 1856931 F200HD2-N-H 6.933 119.486 8.174 360868 E199HB3-F200N-H 2.027 119.488 8.178 719001 Q209HA-F200N-H 5.600 119.489 8.178 370073 F200HB2-N-H 3.170 119.495 8.177 138297 S201H-F200N-H 8.789 119.547 8.175 118578 L210H-F200N-H 9.056 119.552 8.177 84460 Y246HD2-N-H 7.012 119.609 8.070 113437 S257HB3-Y246N-H 3.911 119.622 8.071 132646 D259H-Y246N-H 9.779 119.625 8.068 117937 ?-?-? 0.726 119.628 8.070 196253 V258HA-Y246N-H 3.770 119.650 8.071 141856 Y246HB2-N-H 3.062 119.656 8.069 420148 Y246HB3-N-H 2.931 119.656 8.069 466416 Y246H-N-H 8.069 119.656 8.069 3719858 ?-?-? 0.575 119.658 8.071 242046 ?-?-? 1.378 119.661 8.070 134971 S257HB2-Y246N-H 4.176 119.665 8.067 155549 Y246HA-N-H 5.086 119.670 8.070 211109 S257H-Y246N-H 9.294 119.671 8.069 204067 G245HA3-Y246N-H 4.341 119.673 8.070 567099 G245HA2-Y246N-H 4.613 119.688 8.070 684525 V247H-Y246N-H 8.555 119.803 8.067 115669 G245H-Y246N-H 8.807 119.816 8.066 92190 ?-?-? 1.656 119.880 7.812 188305 ?-?-? 1.127 119.881 8.381 350716 K237HA-N-H 3.751 119.894 8.380 430961 K237HB2-N-H 1.706 119.894 8.380 2068202 K237HB3-N-H 1.655 119.894 8.380 1341072 K237H-N-H 8.380 119.894 8.380 5317350 K236H-K237N-H 9.121 119.894 8.380 85238 K236HA-K237N-H 4.623 119.894 8.381 1443136 K237HG2-N-H 1.442 119.894 8.380 262326 K237HG3-N-H 1.263 119.894 8.380 162814 K237HD2-N-H 1.758 119.894 8.380 1535201 K237HD3-N-H 1.672 119.894 8.380 1808319 ?-?-? 0.918 119.895 7.812 129669 ?-?-? 1.934 119.895 7.814 234106 A231HA-N-H 3.955 119.898 7.812 384464 A231HB-N-H 1.215 119.898 7.812 1298463 A231H-N-H 7.812 119.898 7.812 5606902 L230H-A231N-H 7.931 119.898 7.812 780450 ?-?-? 1.811 119.898 7.813 103048 Q209HE21-A231N-H 7.277 119.898 7.814 129881 D232H-A231N-H 6.999 119.908 7.813 760353 L230HA-A231N-H 4.350 119.917 7.812 246261 ?-?-? 2.476 119.919 7.815 115406 G238H-K237N-H 9.378 119.924 8.384 130123 ?-?-? 0.687 119.925 8.382 143661 E229HA-A231N-H 4.233 120.008 7.814 105733 I187HA-Y174N-H 5.062 120.046 8.837 160266 Y174HA-N-H 4.761 120.086 8.841 422912 Y174HB2-N-H 3.183 120.086 8.841 240355 Y174HB3-N-H 2.121 120.086 8.841 381418 Y174H-N-H 8.841 120.086 8.841 3818858 N173HA-Y174N-H 5.267 120.086 8.841 944132 Y174HD2-N-H 6.917 120.086 8.841 239688 E178H-K175N-H 7.793 120.090 8.787 108531 V191HA-K216N-H 4.168 120.091 9.209 134142 N173HB2-Y174N-H 2.632 120.093 8.840 238491 T186H-Y174N-H 8.307 120.094 8.845 125556 T186HB-Y174N-H 3.837 120.108 8.845 132253 ?-?-? 3.180 120.116 8.791 278781 K175HB2-N-H 2.407 120.118 8.789 207572 K175H-N-H 8.789 120.118 8.789 2444768 Y174HA-K175N-H 4.761 120.118 8.789 783490 K175HG2-N-H 1.547 120.118 8.789 717064 K175HD3-N-H 1.609 120.118 8.789 385411 N173HB3-Y174N-H 2.541 120.118 8.842 186583 ?-?-? 2.481 120.124 8.789 202382 ?-?-? 0.648 120.124 9.210 147529 Y174HD2-K175N-H 6.919 120.132 8.793 145384 ?-?-? 2.277 120.137 8.789 300401 K175HA-N-H 4.562 120.139 8.791 245472 ?-?-? 1.178 120.142 9.211 589480 K216HA-N-H 5.247 120.149 9.209 198564 K216HB2-N-H 1.777 120.149 9.209 319493 K216H-N-H 9.209 120.149 9.209 3583333 L215H-K216N-H 8.802 120.149 9.209 91570 L215HA-K216N-H 5.352 120.149 9.209 1034198 K216HG2-N-H 1.401 120.149 9.209 221250 K216HD3-N-H 1.519 120.149 9.209 155284 L215HD2-K216N-H 0.781 120.149 9.211 314022 K216HG3-N-H 1.358 120.149 9.209 206119 ?-?-? 2.126 120.152 8.793 186746 K216HB3-N-H 1.583 120.154 9.211 364091 ?-?-? 0.839 120.157 9.211 347770 ?-?-? 1.920 120.164 9.210 183588 E190H-K216N-H 9.048 120.179 9.209 312656 E269HA-N-H 4.132 120.213 8.185 369415 L268H-E269N-H 8.434 120.324 8.186 375624 E269HB2-N-H 1.894 120.326 8.183 924894 E269HB3-N-H 1.857 120.326 8.183 998236 E269HG2-N-H 2.200 120.326 8.183 256472 E269HG3-N-H 2.123 120.326 8.183 272009 ?-?-? 1.634 120.326 8.184 241111 ?-?-? 1.564 120.326 8.185 258916 L268HA-E269N-H 4.292 120.331 8.186 882968 E269H-N-H 8.186 120.343 8.186 8559919 ?-?-? 0.868 120.359 8.186 105342 ?-?-? 1.568 120.512 7.790 196659 ?-?-? 1.828 120.513 7.788 164176 E178HB2-N-H 2.497 120.514 7.790 374600 E178HB3-N-H 2.279 120.527 7.790 731618 E178HA-N-H 4.254 120.530 7.790 220338 E178H-N-H 7.790 120.530 7.790 3054311 S177H-E178N-H 8.986 120.530 7.790 251540 S177HA-E178N-H 4.087 120.530 7.790 152260 L179H-E178N-H 7.261 120.537 7.790 722964 K175H-E178N-H 8.780 120.572 7.788 95446 I240HA-N-H 4.687 120.662 8.835 1187177 I240HB-N-H 1.952 120.662 8.835 710167 D239HA-I240N-H 4.625 120.662 8.835 1323292 I240HG2-N-H 0.771 120.662 8.832 450719 I240HD1-N-H 0.746 120.662 8.831 411892 ?-?-? 1.737 120.662 8.829 425804 Q249HB2-N-H 2.074 120.665 8.833 809058 Q249HB3-N-H 1.854 120.665 8.833 1296743 Q249H-N-H 8.833 120.665 8.833 9503805 K248HA-Q249N-H 4.732 120.665 8.833 1290134 Q249HG2-N-H 2.335 120.665 8.833 137256 Q249HG3-N-H 2.240 120.665 8.833 231938 ?-?-? 0.603 120.675 8.838 208243 K248H-Q249N-H 9.083 120.680 8.833 180478 ?-?-? 3.727 120.680 9.010 246177 L213HD2-N-H 0.900 120.681 9.010 217702 ?-?-? 9.432 120.690 8.827 90231 ?-?-? 2.540 120.692 8.829 348206 L213HA-N-H 5.178 120.695 9.005 500895 L213HB2-N-H 1.560 120.695 9.005 561406 L213HB3-N-H 1.459 120.695 9.005 328019 L213H-N-H 9.005 120.695 9.005 3802550 S212HA-L213N-H 5.088 120.695 9.005 1490761 L213HG-N-H 1.627 120.695 9.005 506909 L213HD1-N-H 0.751 120.695 9.005 322838 T225HA-L213N-H 4.641 120.697 9.011 234309 I240HG12-N-H 1.477 120.698 8.831 327551 Q249HA-N-H 4.308 120.700 8.836 414049 I240HG13-N-H 1.374 120.701 8.831 417685 ?-?-? 3.583 120.703 9.011 138360 D239H-I240N-H 8.136 120.709 8.832 340838 ?-?-? 3.756 120.710 8.836 145286 ?-?-? 0.918 120.714 8.829 299384 ?-?-? 1.747 120.720 9.047 329174 ?-?-? 2.858 120.721 8.832 211175 I256HA-N-H 4.921 120.723 9.042 215511 I256HB-N-H 1.396 120.723 9.042 385787 I256H-N-H 9.042 120.723 9.042 3687563 E255HA-I256N-H 5.086 120.723 9.042 1288119 I256HG12-N-H 1.368 120.723 9.042 325436 ?-?-? 1.903 120.723 9.048 270767 ?-?-? 1.573 120.723 9.042 302362 I256HD1-N-H 0.571 120.732 9.046 428611 I256HG2-N-H 0.720 120.734 9.047 862256 G224HA3-I256N-H 3.033 120.735 9.043 235475 ?-?-? 4.917 120.741 8.833 110971 G224HA2-I256N-H 5.496 120.747 9.046 346869 T225H-I256N-H 8.527 120.758 9.046 123986 G250HA2-Y251N-H 4.535 120.861 8.723 242256 Y251HA-N-H 4.310 120.862 8.725 145467 Y251HB2-N-H 3.071 120.862 8.725 350749 Y251HB3-N-H 3.035 120.862 8.725 358514 Y251H-N-H 8.725 120.862 8.725 425533 G250HA3-Y251N-H 3.869 120.862 8.723 251265 L215H-I222N-H 8.802 120.970 9.230 258459 S244HB3-N-H 3.700 120.973 8.890 275930 N260H-S244N-H 7.859 120.974 8.888 239744 I261HA-S244N-H 5.237 120.975 8.888 155043 S244HB2-N-H 3.891 120.976 8.887 188111 S244H-N-H 8.887 120.976 8.887 3666551 V243HA-S244N-H 4.681 120.976 8.887 1177352 ?-?-? 1.914 120.976 8.884 127651 ?-?-? 0.793 120.976 8.888 808515 I222HB-N-H 1.571 120.983 9.233 337612 S221HB3-I222N-H 3.677 120.983 9.232 618204 I222HA-N-H 4.561 120.985 9.232 311528 ?-?-? 0.572 120.987 8.883 129584 ?-?-? 0.653 120.988 9.232 382941 I222H-N-H 9.231 120.990 9.232 3761484 ?-?-? 1.764 120.990 9.233 208000 S221HA-I222N-H 5.658 120.991 9.231 950218 I222HG2-N-H 0.508 120.991 9.231 793907 I222HD1-N-H 0.581 120.991 9.231 338171 I222HG13-N-H 1.476 120.991 9.231 131781 K216HA-I222N-H 5.254 120.992 9.232 335871 S244HA-N-H 5.941 121.007 8.888 159076 ?-?-? 2.618 121.009 8.889 169233 ?-?-? 1.162 121.019 9.233 119419 L254HA-N-H 4.641 121.184 8.687 349873 L254HB2-N-H 1.742 121.184 8.687 994570 L254HB3-N-H 1.146 121.184 8.687 365634 L254H-N-H 8.687 121.184 8.687 5562498 G253H-L254N-H 7.466 121.184 8.687 117009 L254HG-N-H 1.688 121.184 8.687 1352342 L254HD1-N-H 0.652 121.184 8.687 480914 L254HD2-N-H 0.611 121.184 8.687 620082 G253HA3-L254N-H 3.854 121.184 8.688 800810 G253HA2-L254N-H 4.418 121.190 8.687 906593 G250H-L254N-H 8.130 121.220 8.692 83510 A189HA-E190N-H 4.905 121.323 9.043 893534 E190HB3-N-H 1.932 121.326 9.043 930087 K216H-E190N-H 9.210 121.333 9.043 412603 ?-?-? 1.187 121.336 9.043 745463 E190HA-N-H 4.814 121.340 9.045 314630 E190H-N-H 9.041 121.340 9.045 3532339 E190HG2-N-H 2.051 121.340 9.043 200856 ?-?-? 0.755 121.340 9.043 261230 D217HA-E190N-H 5.136 121.340 9.042 166752 I261HG2-N-H -0.096 121.443 8.131 879641 ?-?-? 2.616 121.450 8.130 360571 I261HB-N-H 1.397 121.454 8.127 211549 I261H-N-H 8.127 121.454 8.127 6266460 N260HA-I261N-H 4.773 121.454 8.131 1757280 I261HG12-N-H 1.446 121.454 8.127 127584 I261HD1-N-H 0.572 121.463 8.133 132829 I261HA-N-H 5.235 121.478 8.131 226977 ?-?-? 0.971 121.575 8.126 229953 ?-?-? 0.864 121.575 8.126 285946 ?-?-? 0.798 121.575 8.127 259466 K198H-E199N-H 9.251 121.681 8.549 108148 ?-?-? 1.500 121.681 8.550 278090 K198HA-E199N-H 4.797 121.686 8.551 2392042 E199H-N-H 8.552 121.688 8.551 7795444 E199HB2-N-H 2.020 121.689 8.547 1281100 E199HB3-N-H 2.020 121.689 8.547 1281100 E199HG2-N-H 2.294 121.689 8.547 371691 E199HG3-N-H 2.243 121.689 8.547 347014 ?-?-? 1.886 121.691 8.550 440970 E199HA-N-H 5.152 121.693 8.551 430495 ?-?-? 1.732 121.697 8.550 470165 F200H-E199N-H 8.171 121.699 8.551 129479 ?-?-? 1.684 121.850 8.127 84555 G238H-D239N-H 9.375 121.984 8.124 536404 I240H-D239N-H 8.838 121.985 8.125 133658 ?-?-? 3.738 121.989 8.125 403938 D239HB3-N-H 2.535 121.994 8.119 346030 D239H-N-H 8.119 121.994 8.119 7082897 V191H-D239N-H 9.267 121.994 8.123 170536 D239HA-N-H 4.617 121.998 8.123 463695 ?-?-? 2.431 121.998 8.123 483219 D239HB2-N-H 2.859 122.011 8.124 667381 ?-?-? 1.081 122.012 8.122 151039 ?-?-? 0.716 122.018 8.124 230360 ?-?-? 4.492 122.021 8.122 228444 K236H-D239N-H 9.115 122.026 8.125 154791 W227HA-K211N-H 5.041 122.228 8.908 124146 ?-?-? 0.783 122.250 8.906 438333 ?-?-? 1.383 122.254 8.904 328945 K211HB2-N-H 1.780 122.261 8.903 454922 K211HB3-N-H 1.736 122.261 8.903 374110 K211HG2-N-H 1.846 122.261 8.903 401150 K211HG3-N-H 1.210 122.261 8.903 419626 K211HD2-N-H 1.896 122.261 8.903 231223 K211HD3-N-H 1.718 122.261 8.903 374110 K211H-N-H 8.903 122.261 8.903 2786821 L210HA-K211N-H 5.243 122.266 8.906 823570 ?-?-? 0.918 122.268 8.904 128161 ?-?-? 0.331 122.268 8.906 248974 ?-?-? 0.137 122.268 8.905 247996 ?-?-? 1.538 122.290 8.901 93635 K211HA-N-H 4.670 122.291 8.904 247665 ?-?-? 1.654 122.295 9.445 138486 ?-?-? 0.474 122.301 8.908 87925 W227HD1-N-H 7.342 122.307 9.445 257601 W227H-N-H 9.445 122.315 9.446 3149270 ?-?-? 2.152 122.316 9.448 103722 L226HA-W227N-H 4.468 122.317 9.446 1064493 ?-?-? 1.939 122.317 9.446 197235 ?-?-? 1.839 122.317 9.445 109036 ?-?-? 0.777 122.319 9.446 279216 W227HB3-N-H 3.229 122.321 9.446 471627 W227HB2-N-H 3.343 122.322 9.445 329582 W227HA-N-H 5.033 122.324 9.446 231085 ?-?-? 1.097 122.324 9.446 165596 ?-?-? 0.930 122.367 9.443 155155 ?-?-? 0.774 122.528 8.138 217635 ?-?-? 1.092 122.529 8.140 113598 ?-?-? 1.386 122.576 8.141 126649 ?-?-? 1.690 122.610 8.143 371186 N188HB2-N-H 2.682 122.613 8.967 491482 E265HG2-N-H 2.225 122.613 8.140 170352 I264HA-E265N-H 4.182 122.619 8.141 705411 ?-?-? 0.891 122.621 8.140 482353 N188H-N-H 8.962 122.622 8.962 3567424 ?-?-? 1.907 122.622 8.967 906646 N188HB3-N-H 2.483 122.624 8.968 309953 E265HA-N-H 4.423 122.625 8.141 336752 I187HA-N188N-H 5.058 122.625 8.969 1127277 E265HB2-N-H 1.988 122.628 8.137 450156 E265HB3-N-H 1.911 122.628 8.137 504143 E265H-N-H 8.137 122.628 8.137 3255930 I264H-E265N-H 9.047 122.628 8.137 405598 I263HA-E265N-H 4.605 122.628 8.140 164029 N188HA-N-H 5.560 122.633 8.968 272829 K266H-E265N-H 8.634 122.650 8.145 119467 ?-?-? 0.777 122.656 8.973 491894 ?-?-? 0.562 122.732 8.979 176964 I240H-E265N-H 8.834 122.743 8.142 140084 ?-?-? 1.397 122.812 8.990 204392 E242HA-N-H 5.074 122.821 8.990 731477 E242HB2-N-H 1.928 122.821 8.996 598240 E242HB3-N-H 1.806 122.821 8.997 299405 E242H-N-H 8.991 122.821 8.992 4223920 E242HG2-N-H 2.043 122.821 8.997 247054 ?-?-? 1.080 122.831 8.991 738090 A241HA-E242N-H 5.364 122.837 8.992 1070978 G262HA3-I263N-H 3.810 122.868 9.028 629064 I263H-N-H 9.023 122.874 9.023 5376332 G262H-I263N-H 8.357 122.874 9.023 151819 I263HG2-N-H 0.914 122.874 9.030 446378 I263HD1-N-H 0.955 122.874 9.030 375170 I263HG12-N-H 1.693 122.874 9.029 553850 I263HG13-N-H 1.652 122.874 9.029 586281 F233HZ-I263N-H 7.264 122.874 9.027 249657 ?-?-? 4.597 122.874 8.992 297355 A241HA-I263N-H 5.361 122.874 9.028 357511 I263HA-N-H 4.597 122.874 9.026 629414 G262HA2-I263N-H 4.544 122.876 9.028 988814 I263HB-N-H 2.080 122.878 9.028 849987 G262H-E242N-H 8.361 122.941 8.996 231691 K197HA-N-H 4.570 122.955 8.728 920437 K197HB2-N-H 1.761 122.955 8.728 1225570 P196HA-K197N-H 4.504 122.955 8.728 1720706 K197HG2-N-H 1.328 122.955 8.728 440024 K197HD3-N-H 1.276 122.955 8.728 325624 ?-?-? 1.886 122.955 8.726 350104 ?-?-? 2.455 122.956 8.728 275459 K197H-N-H 8.727 122.960 8.728 5060528 K198H-K197N-H 9.244 122.970 8.726 166048 ?-?-? 0.717 123.130 9.056 290321 N173H-N-H 8.472 123.139 8.471 287974 F214HD2-N-H 7.112 123.145 9.060 98145 ?-?-? 1.458 123.145 9.056 396342 ?-?-? 2.000 123.152 8.463 82792 F214HA-N-H 5.253 123.160 9.053 539438 F214HB2-N-H 3.107 123.160 9.057 607424 F214HB3-N-H 3.046 123.160 9.056 546650 F214H-N-H 9.053 123.160 9.053 5502156 ?-?-? 1.587 123.160 9.056 279487 ?-?-? 0.894 123.160 9.056 398889 L213HA-F214N-H 5.186 123.161 9.057 1180401 ?-?-? 1.199 123.163 9.056 310930 A194HA-F214N-H 4.763 123.164 9.057 160501 A193H-F214N-H 7.767 123.168 9.058 467539 N173HB2-N-H 2.622 123.179 8.463 91440 N173HB3-N-H 2.536 123.179 8.463 139022 M172HA-N173N-H 4.019 123.188 8.467 302753 N173HA-N-H 5.270 123.232 8.468 85446 ?-?-? 0.331 123.546 8.993 146823 ?-?-? 3.028 123.549 8.989 134250 S212H-N-H 8.991 123.578 8.993 2690878 ?-?-? 1.198 123.580 8.993 184933 S212HA-N-H 5.089 123.585 8.993 195196 ?-?-? 1.829 123.586 8.993 266917 ?-?-? 1.756 123.588 8.993 241712 S212HB3-N-H 3.588 123.589 8.992 373349 S212HB2-N-H 3.728 123.593 8.992 234801 K211HA-S212N-H 4.683 123.594 8.993 829280 Y195H-S212N-H 8.101 123.652 8.988 82319 ?-?-? 8.222 123.727 8.915 117300 R202HA-N-H 4.646 123.729 8.916 278521 R202HB3-N-H 1.963 123.734 8.913 671461 R202H-N-H 8.913 123.734 8.913 5489758 R202HG3-N-H 1.500 123.734 8.913 535767 R202HD2-N-H 3.158 123.734 8.917 104094 R202HD3-N-H 3.106 123.734 8.916 96652 ?-?-? 3.783 123.734 8.915 243414 S201HA-R202N-H 4.936 123.740 8.916 1727820 ?-?-? 8.078 123.740 8.916 131723 R202HB2-N-H 1.970 123.741 8.916 671461 R202HG2-N-H 1.666 123.741 8.915 329239 ?-?-? 3.835 123.741 8.915 303264 ?-?-? 8.040 123.760 8.917 135522 L268HA-N-H 4.286 123.920 8.433 1720390 L268HB2-N-H 1.621 123.920 8.433 1270884 L268HB3-N-H 1.549 123.920 8.433 716773 S267H-L268N-H 8.896 123.920 8.433 96702 S267HA-L268N-H 4.311 123.920 8.433 1582462 L268HD1-N-H 0.901 123.920 8.433 147065 L268HD2-N-H 0.842 123.920 8.433 185904 ?-?-? 3.935 123.928 8.436 244231 L268H-N-H 8.436 123.933 8.436 6172864 ?-?-? 3.804 123.933 8.437 190765 ?-?-? 8.184 123.936 8.436 295532 K197H-K198N-H 8.730 124.043 9.245 104550 Y195HD1-N-H 7.095 124.049 8.105 323268 K198HB2-N-H 1.878 124.057 9.243 380157 ?-?-? 0.327 124.059 9.241 137438 K198HA-N-H 4.794 124.061 9.244 396298 ?-?-? 0.899 124.062 8.106 291012 ?-?-? 1.123 124.063 8.107 536724 Y195HB3-N-H 3.025 124.065 8.107 574677 Y195H-N-H 8.107 124.065 8.107 4668215 Y195HA-N-H 4.787 124.067 8.105 1428652 A194H-Y195N-H 8.497 124.067 8.102 143296 A194HA-Y195N-H 4.756 124.067 8.105 1548724 K198HB3-N-H 1.742 124.071 9.241 956552 K197HA-K198N-H 4.578 124.071 9.243 1471512 K198HG2-N-H 1.495 124.071 9.241 302387 K198HG3-N-H 1.495 124.071 9.241 302387 K198HD3-N-H 1.712 124.071 9.241 540476 K198H-N-H 9.243 124.072 9.243 4028161 ?-?-? 5.178 124.074 8.108 239482 ?-?-? 1.339 124.075 9.242 330328 Q209HA-K198N-H 5.596 124.081 9.242 103890 ?-?-? 9.015 124.084 8.107 171086 Y195HB2-N-H 3.238 124.096 8.107 343215 L210H-K198N-H 9.069 124.101 9.241 358658 E199H-K198N-H 8.555 124.123 9.244 96882 N188H-A189N-H 8.982 124.274 9.123 218448 ?-?-? 2.487 124.283 9.128 176133 A189HB-N-H 1.185 124.286 9.126 599805 E242HA-A189N-H 5.086 124.287 9.127 189812 A189H-N-H 9.126 124.289 9.127 4456140 ?-?-? 1.088 124.290 9.126 217347 N188HA-A189N-H 5.558 124.292 9.127 1337399 A189HA-N-H 4.913 124.294 9.125 256474 A241H-A189N-H 9.436 124.294 9.126 296361 F233HD2-V235N-H 7.024 124.298 7.491 134106 ?-?-? 0.766 124.299 9.126 503109 ?-?-? 2.679 124.310 9.124 149547 ?-?-? 1.920 124.312 9.125 125832 ?-?-? 2.087 124.314 7.495 271391 V235HG2-N-H 1.085 124.330 7.491 259505 ?-?-? 1.720 124.334 7.494 375903 E234HA-V235N-H 4.170 124.335 7.493 2191092 V235H-N-H 7.493 124.336 7.493 6738415 V235HB-N-H 2.175 124.341 7.495 219414 V235HG1-N-H 0.954 124.341 7.492 990750 V235HA-N-H 4.555 124.343 7.492 448845 K236H-V235N-H 9.118 124.377 7.491 115503 E234H-V235N-H 7.936 124.397 7.491 133406 A231HA-F233N-H 3.952 124.424 7.853 112013 ?-?-? 0.924 124.434 7.852 294872 F233HB3-N-H 2.935 124.440 7.851 970210 L230HA-F233N-H 4.349 124.445 7.850 245796 F233HB2-N-H 3.304 124.445 7.852 914990 F233H-N-H 7.851 124.447 7.851 4532886 D232H-F233N-H 6.997 124.447 7.851 951277 F233HA-N-H 4.104 124.449 7.851 522168 Y195H-A194N-H 8.100 124.452 8.499 123390 D232HA-F233N-H 4.804 124.461 7.852 213194 ?-?-? 2.473 124.471 7.852 120675 A194HA-N-H 4.772 124.509 8.500 377216 ?-?-? 0.690 124.515 8.505 142540 ?-?-? 1.703 124.524 8.500 175683 A193HA-A194N-H 4.357 124.527 8.502 1908297 A194HB-N-H 1.121 124.528 8.501 869310 ?-?-? 1.190 124.528 8.500 896834 ?-?-? 1.666 124.528 8.501 161570 A194H-N-H 8.503 124.530 8.502 5849774 A193H-A194N-H 7.768 124.542 8.505 134276 ?-?-? 0.898 124.826 8.635 171611 K266HA-N-H 4.344 124.835 8.632 779280 K266HB2-N-H 1.818 124.835 8.632 429438 K266HB3-N-H 1.706 124.835 8.632 795541 K266H-N-H 8.634 124.835 8.634 5593202 E265H-K266N-H 8.137 124.835 8.632 169145 E265HA-K266N-H 4.422 124.835 8.632 1727708 K266HG2-N-H 1.461 124.835 8.632 352987 K266HG3-N-H 1.370 124.835 8.632 224950 K266HD2-N-H 1.656 124.835 8.632 385491 ?-?-? 1.972 124.843 8.635 284290 ?-?-? 2.230 124.845 8.635 237760 ?-?-? 0.579 125.349 9.094 766675 ?-?-? 4.614 125.350 8.187 268083 K248HG2-N-H 1.521 125.353 9.093 237354 V247HA-K248N-H 4.542 125.355 9.094 1211031 K248H-N-H 9.093 125.356 9.094 3522957 E255H-K248N-H 8.810 125.358 9.094 379329 K248HG3-N-H 1.353 125.362 9.094 206038 K248HA-N-H 4.736 125.363 9.092 262335 I256HA-K248N-H 4.928 125.365 9.094 224483 K248HB2-N-H 1.851 125.377 9.098 266263 K248HB3-N-H 1.777 125.377 9.098 408371 K248HD2-N-H 1.742 125.377 9.098 360623 ?-?-? 0.745 125.380 9.094 246695 E255HA-R223N-H 5.084 125.883 7.513 204985 G224H-R223N-H 9.047 125.891 7.515 140940 R223HB2-N-H 1.875 125.893 7.513 422804 R223HB3-N-H 1.741 125.893 7.513 597850 R223H-N-H 7.513 125.893 7.513 2755318 I222HA-R223N-H 4.556 125.893 7.513 953707 R223HG2-N-H 1.548 125.893 7.513 816556 R223HG3-N-H 1.466 125.893 7.513 512505 I222HD1-R223N-H 0.586 125.893 7.514 307332 R223HA-N-H 4.929 125.901 7.512 192103 I222HG2-R223N-H 0.508 125.903 7.513 288934 ?-?-? 6.786 125.987 10.391 189784 I176HB-N-H 1.627 126.003 10.391 606690 ?-?-? 2.405 126.004 10.394 131141 I176H-N-H 10.393 126.007 10.391 1471086 I176HA-N-H 3.311 126.010 10.392 207191 K175HA-I176N-H 4.554 126.010 10.391 466521 S177H-I176N-H 8.984 126.012 10.391 168804 I176HG2-N-H 0.490 126.013 10.387 349573 I176HG12-N-H 1.716 126.013 10.391 300596 I176HG13-N-H 0.553 126.013 10.387 345607 I176HD1-N-H 0.656 126.019 10.391 312322 ?-?-? 1.378 126.060 9.293 363030 S257HB3-N-H 3.916 126.061 9.294 395370 V247HA-S257N-H 4.548 126.063 9.293 219974 ?-?-? 0.572 126.065 9.294 344903 S257H-N-H 9.290 126.066 9.290 2905107 I256HA-S257N-H 4.921 126.066 9.290 1018216 ?-?-? 0.732 126.066 9.286 434476 S257HA-N-H 4.872 126.066 9.290 658486 V258H-S257N-H 8.550 126.072 9.296 99146 Y246H-S257N-H 8.078 126.088 9.290 210006 S257HB2-N-H 4.176 126.117 9.290 414804 V191HA-N-H 4.170 126.296 9.261 268576 V191H-N-H 9.261 126.296 9.261 2680537 E190HA-V191N-H 4.814 126.296 9.261 869715 V191HG2-N-H 0.821 126.296 9.261 851095 V191HG1-N-H 0.692 126.296 9.261 332053 I240HA-V191N-H 4.705 126.296 9.263 224110 D239H-V191N-H 8.121 126.296 9.266 146427 V191HB-N-H 2.423 126.308 9.263 466946 ?-?-? 2.014 126.317 9.266 259347 ?-?-? 1.904 126.336 9.264 316747 D217HB2-N-H 3.472 126.479 8.914 89525 D217HA-N-H 5.153 126.536 8.915 325073 K216HA-D217N-H 5.249 126.536 8.914 1017764 G220H-D217N-H 7.675 126.536 8.914 265786 S221HA-D217N-H 5.661 126.538 8.914 282656 ?-?-? 0.511 126.540 8.915 160846 ?-?-? 0.662 126.541 8.914 696556 ?-?-? 1.775 126.541 8.915 336416 D217H-N-H 8.913 126.545 8.914 3408492 ?-?-? 1.377 126.552 8.914 301714 ?-?-? 1.581 126.555 8.913 289728 T219H-D217N-H 9.627 126.555 8.912 90980 K216H-D217N-H 9.219 126.560 8.912 126481 D217HB3-N-H 3.065 126.562 8.914 89993 ?-?-? 3.677 126.564 8.915 104700 L226HA-N-H 4.467 126.567 8.804 179957 L226H-N-H 8.804 126.567 8.804 2383305 L226HG-N-H 1.537 126.567 8.804 406249 ?-?-? 1.174 126.569 8.911 103994 T225HA-L226N-H 4.638 126.572 8.803 996758 L226HB2-N-H 1.828 126.581 8.804 363942 L226HB3-N-H 1.096 126.582 8.802 229153 ?-?-? 0.138 126.582 8.803 440956 ?-?-? 3.684 126.583 8.803 93550 L226HD1-N-H 0.921 126.587 8.804 252120 S212HA-L226N-H 5.083 126.594 8.803 158519 L226HD2-N-H 0.771 126.602 8.804 259363 ?-?-? 2.545 126.686 9.122 108936 K237H-K236N-H 8.373 126.693 9.122 102062 ?-?-? 0.945 126.704 9.122 351486 ?-?-? 2.168 126.705 9.123 238348 K236HA-N-H 4.612 126.710 9.121 734365 K236HB2-N-H 1.764 126.710 9.121 453773 K236HB3-N-H 1.711 126.710 9.121 409424 K236H-N-H 9.121 126.710 9.121 4564947 V235H-K236N-H 7.492 126.710 9.121 112926 V235HA-K236N-H 4.550 126.710 9.121 1519169 K236HG2-N-H 1.418 126.710 9.121 380984 K236HG3-N-H 1.182 126.710 9.121 226454 K236HD3-N-H 1.583 126.710 9.121 201039 ?-?-? 1.075 126.718 9.123 808054 D239H-K236N-H 8.121 126.720 9.122 101256 ?-?-? 2.861 126.721 9.123 172365 D259HA-N-H 4.947 127.193 9.784 219348 N228HD21-E229N-H 8.107 127.208 10.036 118778 S244H-D259N-H 8.869 127.210 9.786 93926 D259H-N-H 9.780 127.212 9.780 1656385 ?-?-? 0.744 127.212 9.781 253429 V258HA-D259N-H 3.781 127.219 9.783 796381 G245HA2-D259N-H 4.616 127.219 9.782 258229 D259HB3-N-H 2.655 127.220 9.783 501234 N260H-D259N-H 7.858 127.220 9.782 803102 ?-?-? 0.833 127.223 9.782 443711 Y246H-D259N-H 8.083 127.235 9.783 92745 G245HA3-D259N-H 4.345 127.236 9.783 250608 E229HA-N-H 4.225 127.238 10.032 286831 E229HB2-N-H 2.202 127.238 10.032 544454 E229H-N-H 10.032 127.238 10.032 1755473 N228HA-E229N-H 4.539 127.238 10.032 167932 E229HG2-N-H 2.510 127.238 10.032 270167 N228HB3-E229N-H 3.063 127.238 10.034 753231 L230H-E229N-H 7.931 127.241 10.033 314126 N228HB2-E229N-H 3.315 127.243 10.034 677055 V243H-N-H 9.012 127.424 9.012 2753214 E242HA-V243N-H 5.076 127.424 9.012 1093059 V243HG2-N-H 0.773 127.424 9.012 609997 V243HG1-N-H 0.789 127.424 9.012 522242 ?-?-? 1.792 127.424 9.011 122947 ?-?-? 0.555 127.468 9.012 111311 ?-?-? 1.308 127.469 9.013 108186 V243HB-N-H 1.914 127.471 9.012 654641 ?-?-? 2.044 127.471 9.010 174126 I187H-V243N-H 9.272 127.472 9.012 196301 ?-?-? 1.077 127.478 9.012 401145 V243HA-N-H 4.685 127.492 9.011 176759 N188HA-V243N-H 5.556 127.493 9.011 249045 I222H-L215N-H 9.227 127.754 8.802 296526 R223HA-L215N-H 4.926 127.755 8.802 195230 ?-?-? 0.509 127.761 8.804 203308 L215HB3-N-H 1.155 127.764 8.802 269581 L215HA-N-H 5.352 127.768 8.802 236374 L215HB2-N-H 1.762 127.768 8.802 399186 L215H-N-H 8.802 127.768 8.802 2647851 F214HA-L215N-H 5.253 127.768 8.802 1156826 L215HG-N-H 1.473 127.768 8.802 352735 L215HD1-N-H 0.639 127.768 8.802 258114 L215HD2-N-H 0.776 127.768 8.802 204605 F214H-L215N-H 9.061 127.769 8.802 175609 F214HD1-L215N-H 7.127 127.770 8.800 138448 ?-?-? 3.073 127.784 8.800 198224 V247HB-N-H 2.185 128.209 8.558 538672 V247H-N-H 8.558 128.209 8.558 2772018 V247HG2-N-H 0.754 128.248 8.558 758826 V247HG1-N-H 0.577 128.251 8.558 298889 S184HA-V247N-H 5.552 128.252 8.557 236740 ?-?-? 2.930 128.252 8.559 106251 ?-?-? 3.063 128.253 8.555 139576 Y246HA-V247N-H 5.086 128.266 8.558 872670 Y246HD1-V247N-H 7.007 128.266 8.556 118202 V247HA-N-H 4.542 128.269 8.559 241727 L183H-V247N-H 7.164 128.285 8.560 140156 S257HA-W227NE1-HE1 4.889 129.084 9.979 197036 W227HD1-NE1-HE1 7.341 129.108 9.979 1043509 W227HZ2-NE1-HE1 7.423 129.108 9.978 769771 W227HE1-NE1-HE1 9.979 129.114 9.980 6752978 T225HB-W227NE1-HE1 3.671 129.116 9.980 388620 S257HB3-W227NE1-HE1 3.921 129.122 9.981 137452 T225HG2-W227NE1-HE1 0.140 129.124 9.980 367919 S257HB2-W227NE1-HE1 4.173 129.131 9.982 92389 ?-?-? 8.544 129.152 9.979 126700 I264HG12-N-H 1.396 129.155 9.052 259270 I264HG13-N-H 1.091 129.161 9.052 381272 I264HA-N-H 4.182 129.162 9.052 273900 I264HB-N-H 1.692 129.172 9.052 524344 E265H-I264N-H 8.142 129.174 9.052 393949 A241HA-I264N-H 5.369 129.174 9.051 365732 I264H-N-H 9.049 129.175 9.052 2122363 I263HA-I264N-H 4.600 129.178 9.052 950801 ?-?-? 0.913 129.183 9.049 618302 I264HG2-N-H 0.867 129.183 9.050 492921 ?-?-? 1.957 129.188 9.050 137807 I264HD1-N-H 0.747 129.189 9.052 206182 ?-?-? 2.092 129.203 9.048 90687 ?-?-? 4.471 129.271 8.562 93648 ?-?-? 4.179 129.276 8.561 81152 ?-?-? 3.918 129.277 8.561 115917 W227HD1-V258N-H 7.336 129.290 8.561 84921 V258HA-N-H 3.773 129.295 8.559 204887 V258HG2-N-H 0.727 129.296 8.559 1135475 V258HB-N-H 2.154 129.297 8.559 620610 V258HG1-N-H 0.841 129.298 8.558 312735 V258H-N-H 8.557 129.301 8.559 2634928 S257HA-V258N-H 4.896 129.305 8.559 761614 A241HA-N-H 5.366 129.306 9.434 229438 A241H-N-H 9.433 129.320 9.433 3373432 I240HA-A241N-H 4.692 129.321 9.435 948669 A189H-A241N-H 9.115 129.323 9.436 239492 ?-?-? 0.769 129.324 9.436 949101 E190HA-A241N-H 4.833 129.325 9.434 244574 A241HB-N-H 1.078 129.330 9.436 721791 ?-?-? 1.951 129.366 9.436 160894 ?-?-? 2.930 129.534 7.928 157840 E234HA-N-H 4.166 129.551 7.929 1115380 E234HB2-N-H 1.745 129.551 7.929 1007600 E234HB3-N-H 1.680 129.551 7.929 992471 E234H-N-H 7.929 129.551 7.929 5461402 F233HA-E234N-H 4.099 129.551 7.929 1933010 E234HG2-N-H 2.070 129.551 7.929 373705 E234HG3-N-H 2.056 129.551 7.929 337829 ?-?-? 3.304 129.556 7.930 173153 F233HD2-E234N-H 7.022 129.556 7.929 179930 V235H-E234N-H 7.492 129.559 7.931 142109 ?-?-? 3.080 130.948 9.149 99927 ?-?-? 0.701 130.976 9.146 327949 V192HA-N-H 4.164 130.983 9.147 1209478 L215HA-V192N-H 5.360 130.986 9.147 269248 V192HB-N-H 1.999 130.990 9.145 473178 V192H-N-H 9.145 130.990 9.145 2416360 V192HG2-N-H 0.871 130.990 9.145 688772 V192HG1-N-H 0.959 130.990 9.145 158736 A193H-V192N-H 7.769 130.993 9.147 823519 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'all H's' . 11202.7 . . 15849 1 2 N 15 'amide N' . 2500 . . 15849 1 3 H 1 HN . 11160.7 . . 15849 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 6 $SPARKY . . 15849 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 15849 _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 12 _Spectral_peak_list.Experiment_name '3D simultaneous CN NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details ; Aliphatic C13 peak list from 3D simultaneous CN-NOESY in H2O, Bruker 800 This peak list was combined with the aromatic C13 NOESY peak list in H2O for RPF analysis Partially assigned; 2872 peaks. At the bottom of this peak list are appended Halpha-Halpha cross-peaks from the C13-NOESY spectrum in D2O (not used in the structure/RPF calculations, but used as confirmation of the beta strands in the structure). ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note ?-?-? 9.037 10.562 0.746 129998 ?-?-? 9.261 10.588 0.746 206247 E190HA-I240CD1-HD1 4.820 10.593 0.746 604034 I240HB-CD1-HD1 1.953 10.606 0.746 1069677 I240HD1-CD1-HD1 0.745 10.611 0.747 34015984 I240HA-CD1-HD1 4.693 10.613 0.747 541041 ?-?-? 9.436 10.633 0.744 205464 I240HG12-CD1-HD1 1.476 10.646 0.746 911192 I240HG13-CD1-HD1 1.375 10.646 0.746 852590 I240H-CD1-HD1 8.835 10.646 0.746 159407 ?-?-? 8.126 10.713 0.953 116137 ?-?-? 7.210 10.737 0.956 429122 I263HA-CD1-HD1 4.586 10.748 0.957 924458 ?-?-? 1.094 10.748 0.953 1539150 I263H-CD1-HD1 9.040 10.750 0.956 423630 I263HD1-CD1-HD1 0.957 10.753 0.957 26925474 I263HG12-CD1-HD1 1.695 10.753 0.957 1288224 I263HB-CD1-HD1 2.076 10.753 0.957 419995 I263HG13-CD1-HD1 1.652 10.753 0.957 1216188 ?-?-? 2.142 10.753 0.955 450304 K236H-I263CD1-HD1 9.110 10.753 0.958 238772 ?-?-? 1.408 10.756 0.954 249694 ?-?-? 5.362 10.770 0.957 231466 ?-?-? 2.541 10.772 0.956 370547 ?-?-? 7.023 10.777 0.956 108515 ?-?-? 2.862 10.780 0.958 228342 ?-?-? 0.563 10.787 0.957 241551 ?-?-? 1.941 12.125 0.726 453883 ?-?-? 6.849 12.145 0.730 159199 I264HA-CD1-HD1 4.183 12.173 0.729 409423 I264H-CD1-HD1 9.018 12.177 0.728 298051 ?-?-? 2.683 12.177 0.724 114136 ?-?-? 5.556 12.180 0.729 112607 ?-?-? 2.485 12.181 0.728 213388 ?-?-? 5.087 12.183 0.731 152896 I264HB-CD1-HD1 1.698 12.198 0.728 588606 I264HD1-CD1-HD1 0.730 12.223 0.730 35958620 I264HG12-CD1-HD1 1.394 12.223 0.730 974552 I264HG13-CD1-HD1 1.095 12.223 0.730 1033348 I264HG2-CD1-HD1 0.869 12.223 0.730 1704525 ?-?-? 1.790 12.223 0.725 396559 ?-?-? 5.365 12.223 0.729 113005 ?-?-? 7.301 12.229 0.730 160356 I261HA-CG2-HG2 5.237 12.520 -0.094 218703 ?-?-? 8.361 12.524 -0.094 123108 ?-?-? 4.771 12.535 -0.094 167343 I261HD1-CG2-HG2 0.570 12.559 -0.094 1609477 I261H-CG2-HG2 8.130 12.559 -0.095 637316 I261HB-CG2-HG2 1.404 12.560 -0.094 957127 I261HG2-CG2-HG2 -0.098 12.565 -0.094 14973336 ?-?-? 0.907 12.570 -0.095 947616 ?-?-? 0.791 12.570 -0.095 1117229 ?-?-? 1.912 12.570 -0.094 119390 ?-?-? 7.024 12.609 -0.095 204297 ?-?-? 1.660 12.613 -0.098 132388 ?-?-? 7.203 12.616 -0.097 183807 ?-?-? 8.559 13.262 0.566 104101 ?-?-? 8.809 13.432 0.563 181543 I256HA-CD1-HD1 4.927 13.449 0.566 191212 I256HD1-CD1-HD1 0.563 13.482 0.563 24970390 I256HG12-CD1-HD1 1.368 13.482 0.563 1992999 I256HB-CD1-HD1 1.396 13.482 0.563 1889403 I256HG2-CD1-HD1 0.723 13.482 0.563 4131371 I256H-CD1-HD1 9.042 13.482 0.563 144721 ?-?-? 4.591 13.628 0.567 158049 ?-?-? 3.073 13.761 0.663 136032 I176HA-CD1-HD1 3.311 13.822 0.665 184636 ?-?-? 5.664 13.823 0.665 342233 ?-?-? 9.229 13.829 0.665 268936 ?-?-? 8.917 13.843 0.665 495884 ?-?-? 1.182 13.845 0.665 556726 ?-?-? 5.251 13.849 0.665 398229 I176HD1-CD1-HD1 0.666 13.853 0.666 11140826 I176HG12-CD1-HD1 1.703 13.853 0.666 795660 I176HG13-CD1-HD1 0.553 13.853 0.666 2793771 I176HB-CD1-HD1 1.636 13.853 0.666 796782 I176HG2-CD1-HD1 0.490 13.853 0.666 2550026 I176H-CD1-HD1 10.387 13.853 0.666 189902 I187HG2-CD1-HD1 0.768 14.183 0.563 4131371 ?-?-? 9.006 14.227 0.561 215774 ?-?-? 7.202 14.302 0.571 186689 ?-?-? 7.019 14.314 0.571 164769 I187HD1-CD1-HD1 0.553 14.331 0.553 29563482 I187HG12-CD1-HD1 1.307 14.331 0.553 999733 I187HB-CD1-HD1 1.903 14.331 0.553 797873 I187H-CD1-HD1 9.269 14.331 0.553 202958 ?-?-? 8.361 14.336 0.571 225315 I261HD1-CD1-HD1 0.565 14.375 0.565 28416682 I261HG12-CD1-HD1 1.446 14.375 0.565 1474594 I261HB-CD1-HD1 1.397 14.375 0.565 1698397 I187HG13-CD1-HD1 1.074 14.392 0.565 1581155 ?-?-? 4.555 14.397 0.566 113182 I187HA-CD1-HD1 5.057 14.398 0.556 139766 ?-?-? 0.932 14.437 0.569 989669 I261HG2-CD1-HD1 -0.099 14.441 0.571 1071444 I261HA-CD1-HD1 5.241 14.450 0.570 284827 ?-?-? 1.155 15.280 0.511 367427 ?-?-? 8.801 15.290 0.512 131850 ?-?-? 1.754 15.309 0.510 532938 I222H-CG2-HG2 9.230 15.316 0.511 391033 I222HA-CG2-HG2 4.562 15.317 0.511 234875 I222HB-CG2-HG2 1.573 15.320 0.510 1036966 ?-?-? 9.050 15.336 0.512 102081 I222HG2-CG2-HG2 0.508 15.339 0.508 12965074 I222HG13-CG2-HG2 1.476 15.339 0.508 544914 ?-?-? 7.516 15.371 0.512 127670 ?-?-? 9.292 15.568 0.722 171671 ?-?-? 8.535 15.569 0.719 232705 ?-?-? 8.069 15.594 0.719 115392 I256HD1-CG2-HG2 0.562 15.596 0.718 2269384 ?-?-? 5.083 15.617 0.720 156494 ?-?-? 5.498 15.617 0.720 432442 I256HB-CG2-HG2 1.392 15.629 0.720 1001276 ?-?-? 3.777 15.636 0.719 123035 I256HG2-CG2-HG2 0.723 15.639 0.723 23200734 I256HA-CG2-HG2 4.921 15.639 0.723 259671 I256H-CG2-HG2 9.042 15.639 0.723 722230 ?-?-? 3.030 15.685 0.721 347878 ?-?-? 4.590 15.768 0.721 144462 ?-?-? 1.148 15.830 0.582 341530 ?-?-? 9.048 15.876 0.581 150344 ?-?-? 5.091 15.897 0.583 229002 I222HG12-CD1-HD1 1.572 15.902 0.582 1349525 I222HA-CD1-HD1 4.562 15.902 0.582 308530 ?-?-? 1.748 15.907 0.582 571269 ?-?-? 7.511 15.918 0.584 158677 ?-?-? 8.807 15.926 0.584 119269 I222HD1-CD1-HD1 0.581 15.949 0.581 15319491 I222HG13-CD1-HD1 1.476 15.949 0.581 726882 M172HE-CE-HE 2.010 16.786 2.013 69576784 ?-?-? 6.797 16.906 2.011 148346 ?-?-? 0.712 17.085 2.086 287468 M180HE-CE-HE 2.083 17.176 2.086 72837848 ?-?-? 3.593 17.178 2.083 167868 ?-?-? 0.573 17.190 2.084 243732 I240HG2-CG2-HG2 0.771 17.237 0.771 32469352 I240HB-CG2-HG2 1.952 17.237 0.771 1530598 I240HG12-CG2-HG2 1.476 17.237 0.771 640499 I240HG13-CG2-HG2 1.375 17.237 0.771 753195 ?-?-? 9.434 17.252 0.773 544857 I240HA-CG2-HG2 4.693 17.274 0.773 586610 ?-?-? 9.096 17.292 0.771 226835 ?-?-? 1.694 17.357 0.776 625906 ?-?-? 1.943 17.371 0.866 555082 ?-?-? 2.223 17.374 0.867 252948 I264HG2-CG2-HG2 0.869 17.384 0.869 36461840 I264HB-CG2-HG2 1.690 17.384 0.869 1413248 I264HD1-CG2-HG2 0.730 17.384 0.869 1470743 I264HA-CG2-HG2 4.181 17.384 0.869 752715 I264HG12-CG2-HG2 1.394 17.384 0.869 758832 I264HG13-CG2-HG2 1.095 17.384 0.869 1022842 ?-?-? 8.144 17.405 0.867 344726 I264H-CG2-HG2 9.035 17.414 0.869 286890 I240H-CG2-HG2 8.830 17.423 0.776 280248 A231HB-CB-HB 1.215 17.436 1.215 13618490 A231HA-CB-HB 3.958 17.437 1.218 885606 ?-?-? 8.905 17.438 1.219 245261 A231H-CB-HB 7.814 17.447 1.218 838905 ?-?-? 7.280 17.448 1.218 314750 ?-?-? 5.033 17.449 1.218 131467 D232H-A231CB-HB 7.007 17.453 1.218 384688 ?-?-? 1.762 17.454 1.218 753083 ?-?-? 5.241 17.455 1.218 391977 ?-?-? 9.424 17.460 1.218 156548 ?-?-? 2.282 17.472 1.218 384207 ?-?-? 2.452 17.489 1.218 189486 I187HG2-CG2-HG2 0.776 17.508 0.776 33854604 I187HB-CG2-HG2 1.901 17.508 0.783 1208486 I187HD1-CG2-HG2 0.551 17.508 0.783 1658252 I187HG12-CG2-HG2 1.307 17.508 0.776 436738 I187HG13-CG2-HG2 1.055 17.508 0.776 760716 ?-?-? 4.556 17.513 1.219 149864 ?-?-? 8.978 17.552 0.783 359979 ?-?-? 8.960 17.561 0.491 127520 ?-?-? 2.128 17.565 0.785 236446 I187H-CG2-HG2 9.269 17.571 0.784 225400 ?-?-? 4.087 17.603 0.491 380901 I176HB-CG2-HG2 1.609 17.604 0.492 941634 I187HA-CG2-HG2 5.057 17.608 0.785 733170 I176HG2-CG2-HG2 0.490 17.612 0.490 12348165 I176HD1-CG2-HG2 0.666 17.612 0.490 1447787 I176HA-CG2-HG2 3.306 17.612 0.490 319946 I176HG12-CG2-HG2 1.703 17.612 0.490 412293 ?-?-? 5.662 17.622 0.492 132361 ?-?-? 0.237 17.626 0.786 497259 ?-?-? 8.259 17.634 0.493 200326 ?-?-? 9.222 17.637 0.494 96891 I176H-CG2-HG2 10.393 17.655 0.492 161214 ?-?-? 3.309 17.665 0.786 156733 ?-?-? 3.183 17.680 0.786 145289 ?-?-? 1.396 17.722 0.914 424678 ?-?-? 2.956 17.747 0.917 129505 ?-?-? 4.356 17.775 0.915 219319 ?-?-? 7.223 17.788 0.920 90261 ?-?-? 2.866 17.791 0.915 129644 ?-?-? 8.137 17.798 0.914 325637 ?-?-? 8.833 17.798 0.915 169280 I263H-CG2-HG2 9.043 17.804 0.916 565180 I263HG2-CG2-HG2 0.916 17.806 0.916 20659162 I263HA-CG2-HG2 4.595 17.806 0.916 670645 I263HG12-CG2-HG2 1.695 17.806 0.916 1044409 I263HG13-CG2-HG2 1.652 17.806 0.916 903725 ?-?-? 8.638 17.808 0.917 99470 ?-?-? 5.360 17.811 0.916 140767 I263HB-CG2-HG2 2.082 17.820 0.916 1055988 ?-?-? 2.539 17.846 0.915 252731 V235HG2-CG1-HG1 1.071 19.873 0.954 1944362 V235HG1-CG1-HG1 0.954 19.873 0.954 24268190 ?-?-? 0.564 19.910 0.956 248895 ?-?-? 1.717 19.910 0.956 265265 ?-?-? 1.717 19.910 0.956 265265 ?-?-? 1.409 19.910 0.954 160160 ?-?-? 2.171 19.910 0.955 855816 ?-?-? 3.154 19.910 0.959 124461 ?-?-? 2.878 19.910 0.957 233967 ?-?-? 4.168 19.910 0.955 151885 ?-?-? 4.562 19.910 0.955 285860 ?-?-? 7.493 19.910 0.955 677998 ?-?-? 7.199 19.910 0.952 165139 ?-?-? 7.025 19.910 0.956 400580 ?-?-? 9.111 19.910 0.953 149937 ?-?-? 9.416 20.476 0.821 177497 ?-?-? 2.860 20.478 0.821 266306 ?-?-? 1.451 20.522 0.821 266054 V191HB-CG2-HG2 2.425 20.549 0.821 895635 ?-?-? 8.125 20.564 0.822 216106 V191HG1-CG2-HG2 0.692 20.574 0.821 1581523 V191HG2-CG2-HG2 0.821 20.574 0.821 18540082 V191HA-CG2-HG2 4.170 20.574 0.821 550754 V191H-CG2-HG2 9.261 20.574 0.821 778674 ?-?-? 1.074 20.589 0.820 2017077 ?-?-? 9.136 20.590 0.821 258132 ?-?-? 0.595 20.837 0.771 1576861 ?-?-? 1.429 20.869 0.772 630056 ?-?-? 5.080 20.882 0.772 170599 ?-?-? 5.241 20.885 0.773 161309 ?-?-? 1.074 20.896 0.773 1706116 V243HG2-CG2-HG2 0.773 20.897 0.773 26822604 V243HB-CG2-HG2 1.905 20.897 0.773 958282 V243HA-CG2-HG2 4.681 20.897 0.773 506809 V243H-CG2-HG2 9.012 20.897 0.773 494664 Y195H-A194CB-HB 8.108 21.155 1.124 400064 ?-?-? 8.379 21.165 1.123 219077 A194H-CB-HB 8.502 21.167 1.123 587343 A194HA-CB-HB 4.768 21.184 1.123 1176220 ?-?-? 5.185 21.197 1.124 166190 ?-?-? 0.904 21.198 1.122 1234750 ?-?-? 2.869 21.200 1.122 153107 ?-?-? 0.694 21.207 1.123 846582 ?-?-? 1.717 21.242 1.123 362750 A194HB-CB-HB 1.121 21.248 1.123 27336108 ?-?-? 7.265 21.325 0.241 230661 ?-?-? 4.624 21.336 1.123 487651 ?-?-? 6.468 21.345 0.241 259646 ?-?-? 2.122 21.346 0.241 330852 L179HA-CD2-HD2 3.594 21.355 0.241 791975 ?-?-? 0.582 21.355 0.240 928271 L179HD1-CD2-HD2 0.681 21.357 0.240 1593546 L179HD2-CD2-HD2 0.240 21.357 0.240 13043849 L179HG-CD2-HD2 1.839 21.357 0.240 703379 L179HB2-CD2-HD2 1.772 21.357 0.240 522887 L179HB3-CD2-HD2 0.956 21.357 0.240 335866 V247HG2-L179CD2-HD2 0.730 21.357 0.241 1399448 I187HG2-L179CD2-HD2 0.782 21.357 0.240 1399448 ?-?-? 3.306 21.358 0.240 151648 ?-?-? 3.181 21.387 0.241 270180 ?-?-? 8.817 21.422 0.241 101578 ?-?-? 6.921 21.436 0.241 257793 ?-?-? 7.255 21.512 0.867 108905 ?-?-? 4.365 21.563 1.129 208200 ?-?-? 7.128 21.566 0.870 255401 ?-?-? 7.769 21.575 0.870 312324 ?-?-? 2.855 21.585 0.869 355230 V192HA-CG2-HG2 4.155 21.589 0.869 1041761 ?-?-? 5.359 21.590 0.868 241641 ?-?-? 5.257 21.600 0.869 143032 V192HG2-CG2-HG2 0.871 21.608 0.871 39353904 V192HB-CG2-HG2 1.999 21.608 0.871 1186867 V192H-CG2-HG2 9.157 21.612 0.870 944305 F214HB3-V192CG2-HG2 3.053 21.619 0.870 461582 ?-?-? 1.563 21.621 0.869 1318932 ?-?-? 1.206 21.632 0.867 487624 ?-?-? 1.780 21.632 0.868 689446 ?-?-? 7.765 21.686 0.958 181400 ?-?-? 4.154 21.686 0.961 780395 ?-?-? 7.125 21.688 0.960 330588 ?-?-? 2.003 21.688 0.960 1417012 V192HG1-CG1-HG1 0.959 21.689 0.959 48767932 F214HB2-V192CG1-HG1 3.117 21.689 0.962 238378 F214HB2-V192CG1-HG2 3.119 21.689 0.869 418705 ?-?-? 1.566 21.691 0.960 666870 F214HB3-V192CG1-HG1 3.055 21.702 0.961 305160 ?-?-? 2.856 21.714 0.961 137251 ?-?-? 9.154 21.715 0.962 227882 ?-?-? 1.385 21.723 0.868 824019 ?-?-? 1.774 21.725 0.959 316139 ?-?-? 1.209 21.735 0.958 786567 ?-?-? 7.247 21.760 0.960 103423 T206HB-CG2-HG2 4.261 21.771 1.181 1670218 ?-?-? 1.382 21.802 0.960 372496 ?-?-? 8.426 21.804 1.182 449899 T206H-CG2-HG2 8.026 21.810 1.182 520547 T206HG2-CG2-HG2 1.179 21.832 1.183 38287664 T206HA-CG2-HG2 4.382 21.877 1.184 1307194 ?-?-? 9.379 22.104 0.692 269952 ?-?-? 1.104 22.107 0.691 1115980 ?-?-? 8.116 22.111 0.695 160592 ?-?-? 7.767 22.122 0.692 446315 ?-?-? 4.165 22.140 0.691 585655 ?-?-? 2.424 22.141 0.691 823370 V191HG2-CG1-HG1 0.821 22.153 0.692 2602080 V191HG1-CG1-HG1 0.692 22.153 0.692 18119954 ?-?-? 3.747 22.153 0.692 632325 V191H-CG1-HG1 9.265 22.153 0.694 173377 ?-?-? 9.134 22.167 0.691 367182 ?-?-? 1.453 22.170 0.694 317811 ?-?-? 1.692 22.186 0.691 225030 ?-?-? 8.390 22.230 0.695 107245 V258HG1-CG2-HG2 0.841 22.299 0.721 2710369 V258HG2-CG2-HG2 0.721 22.299 0.721 21284128 V258HA-CG2-HG2 3.786 22.299 0.721 683136 ?-?-? 4.902 22.315 0.726 206659 ?-?-? 9.779 22.319 0.722 113931 ?-?-? 5.501 22.335 0.722 115108 T186HG2-CG2-HG2 1.078 22.350 1.078 51004524 V258H-CG2-HG2 8.549 22.358 0.726 1069843 T225H-V258CG2-HG2 8.510 22.358 0.726 728289 ?-?-? 5.943 22.359 1.084 162594 T186H-CG2-HG2 8.334 22.384 1.081 178397 N188HD21-T186CG2-HG2 7.288 22.384 1.081 115968 ?-?-? 1.394 22.385 0.852 672745 V258HB-CG2-HG2 2.158 22.391 0.728 911977 N188HD22-T186CG2-HG2 6.850 22.395 1.086 205378 ?-?-? 9.271 22.397 1.082 496471 T186HB-CG2-HG2 3.839 22.400 1.083 830450 A241H-CB-HB 9.433 22.403 1.080 497142 E242H-A241CB-HB 9.004 22.404 1.082 800706 T186HA-CG2-HG2 5.540 22.405 1.083 528792 ?-?-? 5.072 22.414 1.083 206755 A241HA-CB-HB 5.364 22.429 1.081 896622 ?-?-? 2.046 22.441 1.081 552505 ?-?-? 1.912 22.445 1.081 742031 ?-?-? -0.096 22.479 1.077 124293 ?-?-? 1.313 22.502 1.073 695723 ?-?-? 8.991 22.523 1.141 279070 ?-?-? 1.418 22.527 1.078 651241 T219H-CG2-HG2 9.625 22.535 1.143 370148 ?-?-? 1.603 22.535 1.142 983020 ?-?-? 3.731 22.536 1.149 129809 T219HA-CG2-HG2 4.659 22.537 1.142 731151 T219HG2-CG2-HG2 1.138 22.538 1.138 18096670 T219HB-CG2-HG2 4.365 22.546 1.144 794769 ?-?-? 1.511 22.547 1.713 465907 ?-?-? 0.572 22.563 1.078 1086105 ?-?-? 6.789 22.565 1.142 405469 ?-?-? 2.400 22.572 1.142 428509 ?-?-? 7.670 22.572 1.143 140768 ?-?-? 1.549 22.583 1.143 842650 ?-?-? 2.649 22.584 0.838 136828 ?-?-? 3.780 22.598 0.841 420230 ?-?-? 9.781 22.602 0.841 277775 ?-?-? 3.000 22.609 1.145 273984 ?-?-? 4.083 22.613 1.143 152704 ?-?-? 1.783 22.627 1.146 211632 ?-?-? -0.097 22.627 0.842 306836 V258HG1-CG1-HG1 0.841 22.632 0.841 44031092 ?-?-? 0.794 22.635 1.076 3003946 ?-?-? 7.863 22.635 0.843 477319 ?-?-? 8.554 22.645 0.840 203872 A193HB-CB-HB 1.205 22.673 1.205 34255364 A193HA-CB-HB 4.358 22.673 1.205 1784283 A194H-A193CB-HB 8.497 22.673 1.205 714962 F214HB3-A193CB-HB 3.041 22.673 1.209 882806 A193H-CB-HB 7.769 22.677 1.208 575232 ?-?-? 8.887 22.677 0.840 164773 F214HB2-A193CB-HB 3.107 22.678 1.208 1039732 ?-?-? 2.155 22.679 0.842 774763 ?-?-? 1.670 22.686 1.076 343936 ?-?-? 7.112 22.688 1.209 319866 ?-?-? 6.667 22.712 1.208 450341 ?-?-? 9.062 22.725 1.208 312381 T225HG2-CG2-HG2 0.145 22.729 0.145 18477346 T225HB-CG2-HG2 3.673 22.729 0.145 774811 T225HA-CG2-HG2 4.629 22.729 0.145 643652 ?-?-? 8.905 22.729 0.143 184630 ?-?-? 8.123 22.735 1.075 143211 ?-?-? 0.472 22.736 0.144 357738 ?-?-? 1.388 22.740 0.145 308421 ?-?-? 7.209 22.744 1.072 157097 ?-?-? 0.776 22.744 0.144 475614 ?-?-? 9.118 22.756 1.073 10087 ?-?-? 5.244 22.756 0.144 118240 ?-?-? 0.320 22.763 0.143 700670 ?-?-? 9.979 22.764 0.144 160485 ?-?-? 8.806 22.766 0.145 407901 ?-?-? 7.028 22.770 1.074 141785 T225H-CG2-HG2 8.535 22.787 0.145 120840 ?-?-? 5.075 22.789 0.144 185244 ?-?-? 7.427 22.793 0.145 182182 ?-?-? 1.073 22.799 2.174 423852 V235HG1-CG2-HG2 0.954 22.813 1.071 2403751 V235HB-CG2-HG2 2.176 22.813 1.071 910693 V235HA-CG2-HG2 4.568 22.813 1.077 907258 V235H-CG2-HG2 7.492 22.813 1.071 191252 ?-?-? 8.139 22.883 0.610 203830 ?-?-? 4.924 22.891 0.756 182733 ?-?-? 5.082 22.905 0.760 171492 ?-?-? -0.090 22.910 1.074 116652 ?-?-? 1.385 22.920 0.762 645478 ?-?-? 3.584 22.926 0.610 222147 V247HA-CG2-HG2 4.545 22.927 0.760 588719 ?-?-? 8.691 22.927 0.609 229596 ?-?-? 4.301 22.932 0.610 698616 ?-?-? 1.828 22.933 0.609 527678 L254HD2-CD2-HD2 0.611 22.938 0.611 30838052 L254HG-CD2-HD2 1.688 22.938 0.611 1689544 L254HB2-CD2-HD2 1.742 22.938 0.611 1257850 L254HB3-CD2-HD2 1.146 22.938 0.611 599606 L179HD2-V247CG2-HG2 0.236 22.938 0.759 714918 ?-?-? 2.536 22.940 1.071 252997 L254HA-CD2-HD2 4.639 22.945 0.611 941714 ?-?-? 2.865 22.947 1.072 351787 ?-?-? 1.782 22.947 0.759 305615 ?-?-? 9.088 22.949 0.764 209247 V247HG1-CG2-HG2 0.580 22.959 0.759 2906636 V247HG2-CG2-HG2 0.759 22.959 0.759 16959250 V247HB-CG2-HG2 2.185 22.959 0.759 980206 V247H-CG2-HG2 8.558 22.959 0.759 759696 ?-?-? 3.717 22.975 0.609 478391 ?-?-? 8.810 23.003 0.607 456660 ?-?-? 3.773 23.007 0.788 161995 ?-?-? 2.153 23.065 0.610 592549 ?-?-? 9.035 23.080 0.788 178184 V243HG1-CG1-HG1 0.789 23.099 0.789 24563786 ?-?-? 4.682 23.108 0.793 473070 ?-?-? 1.912 23.129 0.792 805772 ?-?-? 8.881 23.161 0.792 307043 L268HA-CD2-HD2 4.292 23.438 0.844 922889 L268HD2-CD2-HD2 0.842 23.451 0.842 91199912 L268HB2-CD2-HD2 1.621 23.451 0.842 1437912 L268HB3-CD2-HD2 1.549 23.451 0.842 1002525 K236HA-CG-HG2 4.612 23.530 1.418 169650 K236HA-CG-HG3 4.612 23.530 1.182 186072 K236H-CG-HG2 9.121 23.530 1.418 231895 K236H-CG-HG3 9.121 23.530 1.182 215295 K236HG2-CG-HG3 1.418 23.530 1.182 2076432 K236HG3-CG-HG2 1.182 23.530 1.418 1799220 K236HG3-CG-HG3 1.182 23.530 1.182 6696784 K236HG2-CG-HG2 1.418 23.530 1.418 3820238 K236HB2-CG-HG3 1.764 23.530 1.182 659101 K236HB3-CG-HG2 1.711 23.530 1.418 435054 K236HB3-CG-HG3 1.711 23.530 1.182 609174 K236HB2-CG-HG2 1.764 23.530 1.418 458940 K236HD3-CG-HG2 1.583 23.530 1.418 1246093 ?-?-? 2.952 23.559 1.184 378885 ?-?-? 0.967 23.568 0.580 468702 ?-?-? 0.327 23.631 1.418 203179 K236HD2-CG-HG3 1.593 23.632 1.182 987637 ?-?-? 2.183 23.667 0.581 896366 V247HG2-CG1-HG1 0.759 23.686 0.580 1720447 V247HG1-CG1-HG1 0.580 23.686 0.580 24589326 ?-?-? 2.945 23.688 1.417 235511 ?-?-? 3.749 23.692 0.582 510664 ?-?-? 8.809 23.693 0.583 416739 ?-?-? 9.089 23.702 0.580 512666 ?-?-? 1.774 23.727 0.580 563436 ?-?-? 8.558 23.771 0.578 144741 ?-?-? 9.032 23.818 0.895 348158 L213HD1-CD2-HD2 0.751 23.840 0.894 2501654 L213HG-CD2-HD2 1.627 23.840 0.894 1763318 L213HB2-CD2-HD2 1.560 23.840 0.894 1083256 L213HB3-CD2-HD2 1.459 23.840 0.894 899587 L213HA-CD2-HD2 5.178 23.840 0.894 849703 ?-?-? 4.766 23.862 0.896 915798 ?-?-? 7.167 23.864 0.576 120245 V247HA-CG1-HG1 4.544 23.885 0.580 640635 ?-?-? 2.889 23.887 0.897 212264 ?-?-? 8.118 23.940 0.896 463529 L230HD2-CD2-HD2 0.895 23.959 0.895 91004840 L230HG-CD2-HD2 1.899 23.959 0.895 1447008 L230HB2-CD2-HD2 1.941 23.959 0.895 1208408 L230HB3-CD2-HD2 1.647 23.959 0.895 1828073 L230HA-CD2-HD2 4.349 23.979 0.900 904094 ?-?-? 7.021 23.983 0.903 256722 ?-?-? -0.098 23.991 0.898 795602 ?-?-? 7.926 24.044 0.899 252906 ?-?-? 3.309 24.045 0.898 211491 ?-?-? 2.169 24.048 0.897 313331 ?-?-? 2.511 24.112 0.897 186014 K248HA-CG-HG2 4.753 24.243 1.509 318354 K248HA-CG-HG3 4.753 24.243 1.345 109219 K248H-CG-HG3 9.098 24.243 1.342 151989 K248HG2-CG-HG3 1.511 24.243 1.342 5077224 K248HG3-CG-HG2 1.333 24.243 1.520 2406596 K248HG3-CG-HG3 1.342 24.243 1.342 18618794 K248HG2-CG-HG2 1.511 24.243 1.511 32744844 K248HB2-CG-HG3 1.851 24.243 1.342 486646 K248HB3-CG-HG2 1.777 24.243 1.511 1175357 K248HB3-CG-HG3 1.777 24.243 1.342 1459956 K248HB2-CG-HG2 1.851 24.243 1.511 1015437 K248HD3-CG-HG3 1.742 24.243 1.342 1723202 Q249H-K248CG-HG2 8.833 24.243 1.511 102142 Q249H-K248CG-HG3 8.833 24.243 1.342 129844 K248HD3-CG-HG2 1.742 24.243 1.511 2354830 K216HA-CG-HG2 5.247 24.310 1.392 96713 K216HA-CG-HG3 5.247 24.310 1.358 107719 K216H-CG-HG2 9.209 24.310 1.392 77689 K216H-CG-HG3 9.209 24.310 1.358 109995 K216HG3-CG-HG3 1.358 24.310 1.358 15141392 K216HG2-CG-HG2 1.392 24.310 1.392 6715338 K216HB2-CG-HG3 1.777 24.310 1.358 1199736 K216HB3-CG-HG2 1.588 24.310 1.392 1360485 K216HB3-CG-HG3 1.588 24.310 1.358 1978022 K216HB2-CG-HG2 1.777 24.310 1.392 479579 D217H-K216CG-HG2 8.910 24.310 1.392 88574 D217H-K216CG-HG3 8.910 24.310 1.358 123050 V192HG2-K216CG-HG2 0.887 24.310 1.400 391793 K216HE3-CG-HG3 2.869 24.310 1.364 311783 K248H-CG-HG2 9.086 24.318 1.520 193393 K198HA-CG-HG2 4.790 24.383 1.506 378259 K198HE2-CG-K248HG2 2.994 24.390 1.512 756292 V192HG2-K216CG-HG3 0.890 24.411 1.361 478514 ?-?-? 0.328 24.419 1.504 205478 ?-?-? 9.445 24.426 0.781 172802 K216HE3-CG-K236HG2 2.870 24.448 1.405 313043 ?-?-? 2.397 24.463 0.711 183960 K175HA-CG-HG2 4.550 24.489 1.547 198185 K175H-CG-HG3 8.789 24.489 1.547 145335 K175HG3-CG-HG2 1.547 24.489 1.547 16355715 K175HB2-CG-HG2 2.389 24.489 1.553 229621 K175HD2-CG-HG2 1.798 24.489 1.547 365343 K175HE3-CG-HG2 3.003 24.490 1.553 476783 ?-?-? 2.153 24.496 0.782 713797 ?-?-? -0.099 24.499 0.781 868198 L230HG-L226CD2-HD2 1.899 24.505 0.780 538781 K207H-CG-HG3 8.420 24.515 1.344 127753 L226HD1-CD2-HD2 0.922 24.522 0.779 2596654 L226HD2-CD2-HD2 0.779 24.522 0.779 49908920 L226HG-CD2-HD2 1.537 24.522 0.779 1211532 L226HB2-CD2-HD2 1.810 24.522 0.779 579133 L226HB3-CD2-HD2 1.098 24.522 0.779 1485348 L226HA-CD2-HD2 4.467 24.522 0.779 735434 L230HB2-L226CD2-HD2 1.945 24.522 0.780 519770 ?-?-? 0.772 24.531 1.535 324433 K207HA-CG-HG3 4.908 24.534 1.347 201956 K198H-CG-HG3 9.241 24.544 1.504 181248 K198HG2-CG-HG2 1.495 24.544 1.495 27726860 K198HB2-CG-HG2 1.888 24.544 1.495 776224 K198HD2-CG-HG2 1.712 24.544 1.495 2984464 E199H-K198CG-HG3 8.553 24.544 1.504 164789 K198HB3-CG-HG3 1.742 24.544 1.495 1804688 K211HA-CG-HG2 4.681 24.559 1.846 146949 K211HA-CG-HG3 4.681 24.559 1.201 147356 K211HG2-CG-HG3 1.817 24.559 1.198 1036601 K211HG3-CG-HG2 1.195 24.559 1.857 637622 K211HG3-CG-HG3 1.210 24.559 1.210 10821422 K211HG2-CG-HG2 1.846 24.559 1.846 886696 K211HB2-CG-HG3 1.766 24.559 1.199 1093175 K211HB3-CG-HG3 1.722 24.559 1.196 1017640 K211HB2-CG-HG2 1.780 24.559 1.846 542921 K211HD2-CG-HG2 1.896 24.559 1.846 748468 K211HD3-CG-HG2 1.718 24.559 1.846 375680 S212H-K211CG-HG2 8.985 24.559 1.855 85557 ?-?-? 8.250 24.563 0.571 124904 L230HB3-L226CD2-HD2 1.641 24.564 0.780 833185 ?-?-? 3.066 24.589 1.263 329672 K237HA-CG-HG2 3.751 24.590 1.442 239613 K237HA-CG-HG3 3.751 24.590 1.263 222492 K237H-CG-HG2 8.380 24.590 1.442 153825 K237H-CG-HG3 8.380 24.590 1.263 93186 K237HG2-CG-HG3 1.442 24.590 1.263 1794139 K237HG3-CG-HG2 1.263 24.590 1.442 1993366 K237HG3-CG-HG3 1.263 24.590 1.263 3478030 K237HG2-CG-HG2 1.442 24.590 1.442 11926947 K237HB2-CG-HG3 1.706 24.590 1.263 1118323 K237HB3-CG-HG3 1.655 24.590 1.263 941584 K237HB2-CG-HG2 1.706 24.590 1.442 1752160 K237HD2-CG-HG2 1.758 24.590 1.442 1168611 K237HD3-CG-HG2 1.672 24.590 1.442 1636633 K237HD3-CG-HG3 1.672 24.590 1.263 1120227 G238H-K237CG-HG2 9.371 24.590 1.442 95481 G238H-K237CG-HG3 9.371 24.590 1.263 129647 ?-?-? 4.157 24.590 1.448 126678 K237HD2-CG-HG3 1.751 24.590 1.263 754180 ?-?-? 3.065 24.592 1.444 281608 ?-?-? 4.671 24.596 0.333 308518 ?-?-? 7.407 24.597 0.333 94424 T225HG2-L210CD1-HD1 0.135 24.600 0.332 869752 ?-?-? 5.080 24.610 0.335 112457 K207HA-CG-HG2 4.912 24.614 1.441 170106 ?-?-? 6.935 24.630 0.335 114541 ?-?-? 0.559 24.634 1.191 863863 A189HB-CB-HB 1.189 24.641 1.189 17538904 A189H-CB-HB 9.124 24.641 1.189 550059 A189HA-CB-HB 4.908 24.641 1.189 917681 E190H-A189CB-HB 9.039 24.641 1.189 737354 ?-?-? 9.190 24.641 1.191 531494 ?-?-? 5.556 24.644 1.190 114574 L210HD1-CD1-HD1 0.332 24.649 0.332 39080376 L210HG-CD1-HD1 1.413 24.649 0.332 327178 L210HB2-CD1-HD1 1.382 24.649 0.332 358866 L210HB3-CD1-HD1 0.790 24.649 0.332 437630 L210H-CD1-HD1 9.058 24.649 0.332 174250 ?-?-? 1.490 24.649 0.331 267484 K211H-L210CD1-HD1 8.925 24.649 0.335 249106 ?-?-? 0.768 24.654 1.191 1255971 ?-?-? 2.457 24.657 0.710 187551 ?-?-? 1.727 24.659 0.334 552280 ?-?-? 5.354 24.662 1.190 218010 ?-?-? 6.468 24.662 0.570 308420 K211HD2-CG-HG3 1.879 24.667 1.199 1042832 L210HA-CD1-HD1 5.240 24.671 0.336 204330 ?-?-? 1.878 24.672 0.334 255523 ?-?-? 5.150 24.675 1.193 129500 ?-?-? 0.233 24.680 0.571 365335 ?-?-? 7.840 24.682 0.785 135553 ?-?-? 9.445 24.684 0.781 178158 ?-?-? 0.645 24.691 1.190 807577 ?-?-? 3.675 24.697 0.334 156966 ?-?-? 8.554 24.699 0.784 148928 ?-?-? 2.991 24.702 0.335 140551 S212H-L210CD1-HD1 8.979 24.702 0.334 262491 K207H-CG-HG2 8.420 24.708 1.437 210094 K207HG2-CG-HG3 1.437 24.708 1.350 8902335 K207HG3-CG-HG2 1.350 24.708 1.437 6678486 K207HG3-CG-HG3 1.350 24.708 1.350 18998292 K207HG2-CG-HG2 1.437 24.708 1.437 13156736 K207HB2-CG-HG3 1.710 24.708 1.350 1278296 K207HB2-CG-HG2 1.710 24.708 1.437 1771142 K207HD2-CG-HG2 1.564 24.708 1.437 1636820 K207HD3-CG-HG2 1.537 24.708 1.437 1829988 K207HD2-CG-HG3 1.564 24.708 1.350 3025704 K207HD3-CG-HG3 1.537 24.708 1.350 3800819 ?-?-? 3.595 24.717 0.572 301126 ?-?-? 3.073 24.733 1.193 166301 ?-?-? 8.800 24.749 0.779 226515 ?-?-? 0.237 24.764 0.707 209989 ?-?-? 2.904 24.770 1.344 513552 ?-?-? 3.594 24.771 0.707 339597 ?-?-? 2.067 24.772 0.708 274500 ?-?-? 1.702 24.777 0.706 307616 ?-?-? 6.467 24.779 0.709 395966 L183HA-CD1-HD1 4.542 24.781 0.710 349518 L183HD1-CD1-HD1 0.708 24.787 0.708 50080896 L183HD2-CD1-HD1 0.571 24.787 0.708 1910628 L183HB2-CD1-HD1 1.481 24.787 0.708 650564 L183HB3-CD1-HD1 1.384 24.787 0.708 505909 L183H-CD1-HD1 7.161 24.787 0.708 107913 K203HA-CG-HG2 4.095 24.799 1.546 189028 K203HA-CG-HG3 4.095 24.799 1.520 172107 K203HG3-CG-HG3 1.520 24.799 1.520 26452106 K203HG2-CG-HG2 1.546 24.799 1.546 18868540 K203HB3-CG-HG2 1.890 24.799 1.546 534787 K203HB3-CG-HG3 1.890 24.799 1.520 833589 K203HD2-CG-HG2 1.712 24.799 1.546 1688816 K203HD3-CG-HG3 1.712 24.799 1.520 3126678 ?-?-? 9.072 24.799 0.779 182083 K203HE2-CG-HG2 3.013 24.799 1.547 399961 K203HE2-CG-HG3 3.015 24.799 1.518 565853 L183HD1-CD2-HD2 0.708 24.811 0.571 2160248 L183HD2-CD2-HD2 0.571 24.811 0.571 44470768 L183HG-CD2-HD2 1.470 24.811 0.571 833471 L183HB2-CD2-HD2 1.481 24.811 0.571 833471 L183HB3-CD2-HD2 1.384 24.811 0.571 277402 L183HA-CD2-HD2 4.535 24.811 0.571 396657 L183H-CD2-HD2 7.163 24.811 0.569 124496 ?-?-? 0.722 24.818 1.459 583536 ?-?-? 6.800 24.830 0.575 126753 ?-?-? 6.804 24.832 0.710 241761 ?-?-? 0.575 24.842 1.460 557613 ?-?-? 4.166 24.919 0.777 586776 L215HD1-CD2-HD2 0.639 24.938 0.776 2308514 L215HD2-CD2-HD2 0.776 24.938 0.776 43401184 L215HG-CD2-HD2 1.473 24.938 0.776 1535543 L215HB2-CD2-HD2 1.762 24.938 0.776 542095 L215HB3-CD2-HD2 1.141 24.938 0.776 1438748 L215HA-CD2-HD2 5.352 24.938 0.776 667978 ?-?-? 8.252 24.946 0.708 218584 ?-?-? 0.326 24.952 1.417 176618 ?-?-? 4.788 24.956 1.329 118591 ?-?-? 8.130 24.971 0.986 263084 ?-?-? 9.186 24.977 0.779 316254 ?-?-? 4.771 24.977 0.986 329537 ?-?-? 7.018 24.977 0.989 113912 ?-?-? 9.442 24.990 0.985 99816 L230HA-CD1-HD1 4.350 24.993 0.987 356362 ?-?-? 4.952 24.998 0.986 232823 L230HD1-CD1-HD1 0.984 24.999 0.984 53606044 L230HD2-CD1-HD1 0.895 24.999 0.984 8172243 L230HG-CD1-HD1 1.899 24.999 0.984 1352380 L230HB2-CD1-HD1 1.941 24.999 0.984 1456069 L230HB3-CD1-HD1 1.647 24.999 0.984 785966 L230H-CD1-HD1 7.931 24.999 0.984 191672 ?-?-? 7.866 24.999 0.987 199205 ?-?-? -0.099 25.003 0.986 627794 L268HD1-CD1-HD1 0.901 25.023 0.901 110458000 L268HD2-CD1-HD1 0.842 25.023 0.901 47189976 L268HG-CD1-HD1 1.627 25.023 0.901 1986703 L268HB3-CD1-HD1 1.549 25.023 0.901 1370106 L268HA-CD1-HD1 4.291 25.023 0.904 299248 K197HA-CG-HG2 4.565 25.029 1.331 209014 K266HE3-CG-HG3 2.966 25.049 1.371 351817 K266HE2-CG-HG2 2.964 25.049 1.468 310006 K266HA-CG-HG2 4.344 25.061 1.461 228423 K266HA-CG-HG3 4.344 25.061 1.370 248204 K266H-CG-HG2 8.632 25.061 1.461 177399 K266H-CG-HG3 8.632 25.061 1.370 121190 K266HG2-CG-HG3 1.461 25.061 1.370 5524122 K266HG3-CG-HG2 1.370 25.061 1.461 6037536 K266HG3-CG-HG3 1.370 25.061 1.370 12349733 K266HG2-CG-HG2 1.461 25.061 1.461 11076621 K266HB2-CG-HG3 1.818 25.061 1.370 671454 K266HB3-CG-HG2 1.706 25.061 1.461 1510295 K266HB3-CG-HG3 1.706 25.061 1.370 1016355 K266HB2-CG-HG2 1.818 25.061 1.461 472186 K266HD3-CG-HG2 1.656 25.061 1.461 1802024 K266HD2-CG-HG3 1.656 25.061 1.370 1223107 S267H-K266CG-HG3 8.896 25.061 1.370 90785 K197H-CG-HG2 8.728 25.073 1.328 171287 K197HG2-CG-HG2 1.328 25.073 1.328 12813863 K197HB2-CG-HG2 1.761 25.073 1.328 1257543 K197HD2-CG-HG3 1.542 25.073 1.328 2240557 K197HE2-CG-HG2 2.918 25.073 1.332 387370 K198H-K197CG-HG2 9.243 25.089 1.332 212624 K197HE3-CG-HG2 2.737 25.161 1.332 279852 ?-?-? 3.583 25.232 0.654 130940 ?-?-? 3.713 25.262 0.656 181575 ?-?-? 4.725 25.313 0.653 273592 L254HD1-CD1-HD1 0.652 25.333 0.652 34699316 L254HG-CD1-HD1 1.688 25.333 0.652 1190454 L254HB2-CD1-HD1 1.742 25.333 0.652 1345116 L254HB3-CD1-HD1 1.146 25.333 0.652 1043743 L254HA-CD1-HD1 4.641 25.333 0.652 193985 L254H-CD1-HD1 8.687 25.333 0.652 105390 ?-?-? 2.156 25.568 0.919 188844 L226HA-CD1-HD1 4.478 25.714 0.926 117826 ?-?-? 2.907 25.749 0.923 353530 ?-?-? 3.154 25.750 0.923 235762 ?-?-? 3.301 25.751 0.924 118815 L179H-CG-HG 7.261 25.760 1.845 200883 L179HG-CG-HG 1.826 25.764 1.844 724228 L179HB3-CG-HG 0.929 25.764 1.839 142611 L179HD1-CG-HG 0.681 25.764 1.839 264186 L179HD2-CG-HG 0.240 25.764 1.839 217134 L226HD1-CD1-HD1 0.922 25.764 0.922 39221940 L226HD2-CD1-HD1 0.758 25.764 0.925 1579671 L226HG-CD1-HD1 1.537 25.764 0.922 922401 L226HB2-CD1-HD1 1.810 25.764 0.922 838476 L226HB3-CD1-HD1 1.098 25.764 0.922 1044687 L226H-CD1-HD1 8.804 25.764 0.922 148234 ?-?-? 7.019 25.768 0.926 143583 ?-?-? -0.092 25.770 0.923 186611 ?-?-? 3.309 25.776 1.839 185490 ?-?-? 9.049 25.787 0.637 210565 L215HD1-CD1-HD1 0.639 25.806 0.639 27116950 L215HD2-CD1-HD1 0.776 25.806 0.639 3028954 L215HG-CD1-HD1 1.473 25.806 0.639 657170 L215HB2-CD1-HD1 1.762 25.806 0.639 855936 L215HB3-CD1-HD1 1.141 25.806 0.639 899474 L215HA-CD1-HD1 5.352 25.806 0.639 119990 L215H-CD1-HD1 8.802 25.806 0.639 189785 ?-?-? 3.957 25.820 0.926 237798 L179HA-CG-HG 3.599 25.910 1.846 91680 ?-?-? 3.033 25.936 0.636 215668 ?-?-? 0.574 25.948 0.926 285002 ?-?-? 9.266 25.953 1.307 157051 ?-?-? 8.993 25.956 1.303 105313 L210HB2-CG-HG 1.382 26.012 1.413 3310745 L210HB3-CG-HG 0.776 26.012 1.413 318943 L210HD2-CG-HG 0.472 26.012 1.413 482305 ?-?-? 8.995 26.018 1.065 93536 ?-?-? 9.271 26.035 1.070 161519 I187HD1-CG1-HG13 0.556 26.060 1.070 481617 ?-?-? 1.910 26.071 1.305 436072 ?-?-? 1.077 26.072 0.751 628354 ?-?-? 1.909 26.089 1.070 374482 I187HD1-CG1-HG12 0.555 26.090 1.303 497423 I187HG12-CG1-HG13 1.305 26.147 1.070 603608 L213H-CD1-HD1 9.028 26.153 0.754 175255 L213HD1-CD1-HD1 0.751 26.183 0.751 21413528 L213HD2-CD1-HD1 0.894 26.183 0.751 1963576 L213HG-CD1-HD1 1.627 26.183 0.751 916348 L213HB2-CD1-HD1 1.560 26.183 0.751 966632 L213HB3-CD1-HD1 1.459 26.183 0.751 708434 L213HA-CD1-HD1 5.178 26.183 0.751 89949 I187HG2-CG1-HG12 0.776 26.197 1.307 411966 I187HG12-CG1-HG12 1.307 26.197 1.307 1273082 I187HG13-CG1-HG13 1.070 26.197 1.069 836868 I187HG13-CG1-HG12 1.055 26.197 1.307 581592 L210H-CG-HG 9.055 26.250 1.416 274003 I187HG2-CG1-HG13 0.766 26.327 1.073 467259 S184H-L183CG-HG 8.255 26.363 1.463 163417 L183H-CG-HG 7.161 26.404 1.462 211140 L183HB2-CG-HG 1.481 26.428 1.470 8196788 L183HB3-CG-HG 1.384 26.428 1.470 2579415 L183HD1-CG-HG 0.708 26.428 1.470 589128 L183HD2-CG-HG 0.571 26.428 1.470 382736 L183HA-CG-HG 4.546 26.459 1.462 195691 L254H-CG-HG 8.687 26.613 1.688 454056 L254HB2-CG-HG 1.742 26.613 1.688 1312948 L254HB3-CG-HG 1.134 26.613 1.686 292487 L254HD1-CG-HG 0.652 26.613 1.688 697702 L254HD2-CG-HG 0.611 26.613 1.688 1025462 L254HA-CG-HG 4.641 26.613 1.688 138655 ?-?-? 3.310 26.655 0.682 408159 L179HD1-CD1-HD1 0.681 26.660 0.681 10573677 L179HD2-CD1-HD1 0.240 26.660 0.681 738840 L179HG-CD1-HD1 1.839 26.660 0.681 656959 L179HB2-CD1-HD1 1.772 26.660 0.681 665379 L179HB3-CD1-HD1 0.956 26.660 0.681 399031 L179H-CD1-HD1 7.258 26.660 0.681 135750 L179HA-CD1-HD1 3.595 26.660 0.681 101763 ?-?-? 9.055 26.783 0.475 177665 ?-?-? 1.725 26.866 0.474 343566 ?-?-? 6.523 26.867 0.473 276133 ?-?-? 7.350 26.881 0.474 217782 L210HD1-CD2-HD2 0.314 26.883 0.472 926478 L210HD2-CD2-HD2 0.472 26.883 0.472 33682040 L210HG-CD2-HD2 1.413 26.883 0.472 895526 L210HB2-CD2-HD2 1.382 26.883 0.472 930455 L210HB3-CD2-HD2 0.790 26.883 0.472 380123 ?-?-? 1.675 26.893 1.679 5027329 ?-?-? 6.938 26.895 0.474 472230 ?-?-? 1.885 26.897 0.473 144239 L268H-CG-HG 8.435 26.901 1.629 271221 ?-?-? 0.139 26.903 0.473 410467 L268HA-CG-HG 4.292 26.909 1.630 273179 L210HA-CD2-HD2 5.229 26.917 0.473 144372 ?-?-? 2.981 26.920 0.474 182095 L268HB2-CG-HG 1.621 26.956 1.627 17053406 L268HD2-CG-HG 0.842 26.956 1.627 1110434 ?-?-? 1.934 26.983 1.092 165604 ?-?-? 8.834 26.991 1.383 185001 ?-?-? 4.668 27.017 1.385 143274 I240HG2-CG1-HG12 0.771 27.030 1.476 1571422 I240HG2-CG1-HG13 0.771 27.030 1.375 915772 I240HD1-CG1-HG12 0.746 27.030 1.476 1451435 I240HD1-CG1-HG13 0.746 27.030 1.375 990143 I240HG12-CG1-HG12 1.476 27.030 1.476 7454152 I240HG13-CG1-HG13 1.375 27.030 1.375 2832639 I240HG12-CG1-HG13 1.476 27.030 1.375 1741932 I240HG13-CG1-HG12 1.375 27.030 1.476 2296797 ?-?-? 4.675 27.041 1.476 118864 L215H-CG-HG 8.814 27.056 1.472 325770 I240HB-CG1-HG12 1.960 27.079 1.477 488516 I240HB-CG1-HG13 1.958 27.084 1.385 625840 ?-?-? 4.613 27.094 1.686 184790 L213H-CG-HG 9.023 27.122 1.632 348953 L213HB3-CG-HG 1.459 27.122 1.627 481954 L213HD1-CG-HG 0.751 27.122 1.627 542837 L213HD2-CG-HG 0.894 27.122 1.627 1414814 L226HB2-CG-HG 1.810 27.133 1.537 431719 L226HB3-CG-HG 1.098 27.133 1.537 270235 L226HD1-CG-HG 0.922 27.133 1.537 508280 L226HD2-CG-HG 0.779 27.133 1.537 976586 L215HB2-CG-HG 1.762 27.137 1.473 441263 L215HB3-CG-HG 1.141 27.137 1.473 213244 L215HD1-CG-HG 0.639 27.137 1.473 333557 L213HA-CG-HG 5.188 27.148 1.630 95260 L215HA-CG-HG 5.352 27.159 1.464 186327 ?-?-? 1.111 27.176 1.693 290364 I264H-CG1-HG12 9.038 27.228 1.396 342090 I264HG2-CG1-HG12 0.869 27.237 1.394 524117 I264HG2-CG1-HG13 0.869 27.237 1.095 433532 I264HD1-CG1-HG12 0.730 27.237 1.394 1371530 I264HD1-CG1-HG13 0.730 27.237 1.095 675542 I264HG12-CG1-HG12 1.394 27.237 1.394 5295856 I264HG13-CG1-HG13 1.095 27.237 1.095 2977814 I264HG12-CG1-HG13 1.394 27.237 1.095 2028866 I264HG13-CG1-HG12 1.095 27.237 1.394 2293528 I264HA-CG1-HG13 4.181 27.246 1.099 239653 I264HA-CG1-HG12 4.184 27.277 1.396 229625 A241HA-I264CG1-HG13 5.367 27.277 1.099 118270 I264H-CG1-HG13 9.035 27.278 1.099 307918 L226HA-CG-HG 4.468 27.283 1.533 174380 ?-?-? 1.696 27.302 1.395 584834 L226H-CG-HG 8.803 27.305 1.532 336946 A241HA-I264CG1-HG12 5.364 27.309 1.394 120612 ?-?-? 1.699 27.342 1.099 311207 I263HG2-CG1-HG12 0.916 27.365 1.695 679069 I263HG2-CG1-HG13 0.916 27.365 1.652 1039054 I263HD1-CG1-HG12 0.957 27.365 1.695 667458 I263HD1-CG1-HG13 0.957 27.365 1.652 768489 I263HG12-CG1-HG12 1.695 27.365 1.695 1653643 I263HG13-CG1-HG13 1.652 27.365 1.652 5323551 ?-?-? 2.079 27.365 1.702 536132 I263H-CG1-HG13 9.033 27.365 1.654 293608 F233HZ-I263CG1-HG13 7.263 27.365 1.658 189138 F233HE2-I263CG1-HG12 7.196 27.365 1.697 183682 F233HE2-I263CG1-HG13 7.194 27.365 1.658 146790 I263H-CG1-HG12 9.029 27.427 1.696 278738 F233HZ-I263CG1-HG12 7.265 27.497 1.693 196769 ?-?-? 2.081 27.551 1.659 417655 L230HB3-CG-HG 1.647 27.662 1.905 434506 L230HA-CG-HG 4.349 27.715 1.906 192524 L230H-CG-HG 7.931 27.744 1.908 360025 ?-?-? 1.909 27.767 1.907 6129618 L230HD1-CG-HG 0.986 27.818 1.904 709212 L230HD2-CG-HG 0.895 27.818 1.904 819907 K175HB2-CD-HD3 2.396 27.913 1.609 172225 K175HD3-CD-HD3 1.609 27.930 1.609 8822894 K175HD2-CD-HD2 1.798 27.930 1.798 4313498 K175HD2-CD-HD3 1.798 27.930 1.609 1566082 K175HD3-CD-HD2 1.609 27.930 1.798 1730693 K175HB3-CD-HD2 1.552 27.930 1.798 1618972 K175HE3-CD-HD3 3.000 27.930 1.609 445901 T219HG2-K175CD-HD3 1.138 27.940 1.604 336507 K175HA-CD-HD3 4.551 27.940 1.608 279389 T219HG2-K175CD-HD2 1.139 27.954 1.803 200411 K175HB2-CD-HD2 2.400 27.974 1.804 145894 K175HE3-CD-HD2 2.999 27.978 1.803 493860 K175HA-CD-HD2 4.555 27.994 1.804 464917 M180HA-P181CG-HG2 4.741 28.004 2.144 142790 R223HA-CG-HG2 4.923 28.021 1.553 192719 R223H-CG-HG2 7.506 28.021 1.557 118721 R223H-CG-HG3 7.513 28.021 1.471 103672 R223HG2-CG-HG3 1.548 28.021 1.466 3838407 R223HG3-CG-HG2 1.466 28.021 1.548 3067819 R223HG3-CG-HG3 1.466 28.021 1.466 5191750 R223HG2-CG-HG2 1.548 28.021 1.548 7072353 R223HB2-CG-HG3 1.875 28.021 1.466 411126 R223HB3-CG-HG2 1.741 28.021 1.548 830443 R223HB3-CG-HG3 1.741 28.021 1.466 534500 R223HB2-CG-HG2 1.875 28.021 1.548 528841 R223HE-CG-HG2 7.124 28.021 1.553 116398 R223HE-CG-HG3 7.118 28.021 1.466 116023 G224H-R223CG-HG2 9.042 28.021 1.556 180108 G224H-R223CG-HG3 9.053 28.021 1.466 212746 R223HA-CG-HG3 4.928 28.028 1.474 206549 L254HD2-P181CG-HG3 0.608 28.036 1.732 435740 P181HA-CG-HG2 3.771 28.056 2.145 211622 P181HA-CG-HG3 3.771 28.056 1.737 183758 P181HG3-CG-HG2 1.737 28.056 2.145 1683181 P181HG3-CG-HG3 1.737 28.056 1.737 10051785 P181HG2-CG-HG2 2.145 28.056 2.145 3661481 P181HB2-CG-HG3 2.139 28.056 1.733 1830815 P181HB3-CG-HG2 1.870 28.056 2.145 810187 P181HB3-CG-HG3 1.870 28.056 1.730 775454 P181HD2-CG-HG2 3.695 28.056 2.145 477746 P181HD3-CG-HG2 3.572 28.056 2.145 465428 P181HD2-CG-HG3 3.695 28.056 1.737 367565 P181HD3-CG-HG3 3.572 28.056 1.737 274072 R223HD2-CG-HG2 3.072 28.057 1.555 681249 R223HD3-CG-HG3 3.075 28.059 1.471 686067 P196HD3-CG-HG3 3.832 28.067 2.099 263953 L254HD2-P181CG-HG2 0.607 28.068 2.145 357631 P196HD3-CG-HG2 3.833 28.091 2.198 352199 P196HD2-CG-HG3 4.023 28.097 2.099 313106 P196HD2-CG-HG2 4.024 28.113 2.198 349027 P196HA-CG-HG2 4.509 28.120 2.198 164033 P196HA-CG-HG3 4.507 28.125 2.100 155290 Y195HA-P196CG-HG3 4.783 28.126 2.103 108805 P196HG2-CG-HG3 2.200 28.139 2.102 2060302 P196HG3-CG-HG3 2.102 28.139 2.102 2479050 P196HG2-CG-HG2 2.200 28.139 2.200 8599739 P196HB2-CG-HG3 2.455 28.139 2.102 372171 P196HB3-CG-HG2 1.887 28.139 2.200 658858 P196HB3-CG-HG3 1.887 28.139 2.102 575693 P196HB2-CG-HG2 2.455 28.139 2.200 1261848 P196HG3-CG-HG2 2.102 28.139 2.200 2734488 Y195HA-P196CG-HG2 4.780 28.176 2.199 127258 E229HB3-CB-HB3 2.199 28.215 2.203 8702995 L230H-E229CB-HB2 7.928 28.222 2.211 177791 E229HG3-CB-HB2 2.500 28.249 2.205 1678645 E229HA-CB-HB3 4.226 28.272 2.206 702853 M180HA-P181CG-HG3 4.745 28.277 1.735 123610 E229H-CB-HB2 10.034 28.307 2.209 299687 I261HA-CG1-HG12 5.242 28.342 1.453 168904 ?-?-? 0.763 28.400 1.447 345345 ?-?-? 1.084 28.400 1.444 190442 ?-?-? 1.072 28.435 0.575 219005 G262H-I261CG1-HG12 8.355 28.451 1.444 126264 I261HG2-CG1-HG13 -0.096 28.470 0.576 261867 I261HD1-CG1-HG12 0.571 28.509 1.449 1310427 G262H-I261CG1-HG13 8.363 28.517 0.577 155032 I261HG2-CG1-HG12 -0.097 28.550 1.446 151460 I261HG12-CG1-HG12 1.446 28.550 1.446 2682821 I261HG12-CG1-HG13 1.444 28.550 0.576 886767 I261HA-CG1-HG13 5.243 28.552 0.573 137887 I256H-CG1-HG13 9.034 28.587 0.576 112885 I261HD1-CG1-HG13 0.572 28.621 0.576 4234405 I256HG2-CG1-HG13 0.743 28.636 0.576 783997 S257H-I256CG1-HG13 9.282 28.647 0.580 114391 I256H-CG1-HG12 9.047 28.674 1.369 98810 ?-?-? 4.923 28.684 0.579 147719 I256HG13-CG1-HG12 0.572 28.690 1.373 2267261 ?-?-? 4.927 28.701 1.372 206003 I256HG2-CG1-HG12 0.723 28.708 1.368 459377 I256HG12-CG1-HG12 1.368 28.708 1.368 1734614 I256HG12-CG1-HG13 1.368 28.708 0.574 1454142 S257H-I256CG1-HG12 9.292 28.708 1.371 170416 E234HB2-CB-HB2 1.745 28.718 1.745 21947630 E234HB3-CB-HB3 1.680 28.718 1.680 16961236 E234HG3-CB-HB3 2.056 28.718 1.680 822307 E234HG2-CB-HB2 2.070 28.718 1.745 1026384 ?-?-? 4.573 28.719 1.371 98891 R202HA-CG-HG2 4.633 28.724 1.657 280930 R202HA-CG-HG3 4.633 28.724 1.500 162194 R202H-CG-HG2 8.913 28.724 1.657 167202 R202H-CG-HG3 8.913 28.724 1.500 216755 R202HG3-CG-HG2 1.500 28.724 1.657 1777514 R202HG3-CG-HG3 1.500 28.724 1.500 6135658 R202HG2-CG-HG2 1.657 28.724 1.657 22901260 R202HB2-CG-HG3 1.963 28.724 1.500 486461 R202HB2-CG-HG2 1.963 28.724 1.657 621109 R202HD2-CG-HG2 3.160 28.724 1.657 255482 R202HD3-CG-HG2 3.105 28.724 1.657 252776 R202HD2-CG-HG3 3.160 28.724 1.500 269994 R202HD3-CG-HG3 3.105 28.724 1.500 342771 ?-?-? 4.554 28.744 0.581 114749 V235H-E234CB-HB3 7.495 28.756 1.686 144971 F200HE2-R202CG-HG2 7.334 28.773 1.658 143865 E234H-CB-HB3 7.929 28.780 1.690 585313 E234H-CB-HB2 7.929 28.799 1.752 606783 E234HA-CB-HB3 4.162 28.805 1.690 500882 V235H-E234CB-HB2 7.492 28.839 1.748 177758 F200HE1-R202CG-HG3 7.349 28.848 1.506 118149 R223H-I222CG1-HG13 7.511 28.875 1.484 161346 E234HA-CB-HB2 4.164 28.889 1.750 602117 K236HG3-CD-HD2 1.178 28.896 1.600 680867 ?-?-? 4.584 28.906 1.590 356234 R223H-I222CG1-HG12 7.509 28.918 1.575 192704 K207HD3-CD-HD3 1.537 28.981 1.537 15626683 K207HD2-CD-HD2 1.564 28.981 1.564 19014656 K207HD2-CD-HD3 1.564 28.981 1.537 17362650 K207HD3-CD-HD2 1.537 28.981 1.564 18064466 K207HG3-CD-HD3 1.350 28.981 1.537 1432679 K207HG2-CD-HD3 1.437 28.981 1.537 1899408 K207HG3-CD-HD2 1.350 28.981 1.564 1610501 K207HG2-CD-HD2 1.437 28.981 1.564 2121060 K207HE2-CD-HD3 2.896 28.981 1.537 554145 K207HE2-CD-HD2 2.896 28.981 1.564 709605 K203HG3-CD-HD2 1.520 28.986 1.712 3790547 K203HG2-CD-HD2 1.546 28.986 1.712 4865330 K203HE3-CD-HD3 3.012 28.986 1.712 1592343 ?-?-? 9.109 29.039 1.596 131733 K236HD3-CD-HD3 1.583 29.049 1.583 26274358 K236HG2-CD-HD2 1.418 29.049 1.583 2352262 K236HE2-CD-HD3 2.945 29.049 1.594 1301409 ?-?-? 4.570 29.049 1.484 159143 I222HG2-CG1-HG12 0.508 29.090 1.586 219464 I222HG2-CG1-HG13 0.508 29.090 1.476 287404 I222HD1-CG1-HG12 0.581 29.090 1.586 406754 I222HD1-CG1-HG13 0.581 29.090 1.476 670042 I222HG13-CG1-HG13 1.476 29.090 1.476 2685626 I222HG12-CG1-HG13 1.586 29.090 1.476 1887748 I222HG13-CG1-HG12 1.476 29.090 1.586 6519470 ?-?-? 0.609 29.157 1.858 233512 K198HD3-CD-HD2 1.712 29.169 1.712 82823864 K198HB2-CD-HD3 1.888 29.169 1.712 1641824 K198HG3-CD-HD3 1.495 29.169 1.712 4071926 K198HE2-CD-HD2 2.989 29.169 1.712 1711064 Q249HB2-CB-HB2 2.074 29.190 2.074 3010956 Q249HB3-CB-HB3 1.869 29.190 1.859 5089712 Q249H-CB-HB2 8.833 29.190 2.074 429110 Q249HA-CB-HB2 4.307 29.190 2.074 290317 Q249HG3-CB-HB2 2.240 29.190 2.074 786668 Q249HG3-CB-HB3 2.240 29.190 1.854 549015 Q249HG2-CB-HB2 2.335 29.190 2.074 527853 Q249HG2-CB-HB3 2.335 29.190 1.854 483205 Q249HB3-CB-HB2 1.854 29.190 2.074 1921514 Q249HB2-CB-HB3 2.074 29.190 1.854 2171478 G250H-Q249CB-HB3 8.136 29.190 1.854 285919 G250H-Q249CB-HB2 8.136 29.190 2.074 68613 Q249H-CB-HB3 8.837 29.196 1.860 407394 K266HD2-CD-HD3 1.656 29.199 1.656 36239156 K266HB2-CD-HD3 1.818 29.199 1.656 2013260 K266HG3-CD-HD3 1.370 29.199 1.656 552028 K266HG2-CD-HD3 1.461 29.199 1.656 2155425 K266HG3-CD-HD2 1.370 29.199 1.656 552028 K266HG2-CD-HD2 1.461 29.199 1.656 2155425 K266HE3-CD-HD2 2.960 29.199 1.651 1120879 ?-?-? 0.597 29.209 2.074 153669 Q249HA-CB-HB3 4.302 29.213 1.860 371603 ?-?-? 0.329 29.241 1.711 217858 ?-?-? 4.350 29.243 1.655 230783 K248HD2-CD-HD2 1.742 29.269 1.742 45002472 K248HB3-CD-HD3 1.777 29.269 1.742 25116420 K248HB2-CD-HD3 1.851 29.269 1.742 432168 K248HG3-CD-HD2 1.336 29.269 1.747 409133 K248HG2-CD-HD2 1.511 29.269 1.742 1826328 K248HE2-CD-HD2 2.975 29.269 1.747 713588 ?-?-? 0.468 29.291 1.709 197230 Y246HD1-K248CD-HD2 7.005 29.293 1.749 128680 ?-?-? 4.755 29.357 1.747 142418 Y246HE1-K248CD-HD2 6.768 29.361 1.751 128820 Q249H-K248CD-HD2 8.826 29.388 1.753 112257 K197HB3-CD-HD3 1.774 29.581 1.271 441564 K197HD3-CD-HD3 1.276 29.604 1.276 2333830 K197HD2-CD-HD2 1.542 29.604 1.542 12545176 K197HD2-CD-HD3 1.542 29.604 1.276 1280203 K197HD3-CD-HD2 1.276 29.604 1.542 1979085 K197HB3-CD-HD2 1.761 29.604 1.542 577716 K197HB2-CD-HD2 1.761 29.604 1.542 577716 K197HG2-CD-HD3 1.328 29.604 1.276 2044916 K197HG2-CD-HD2 1.328 29.604 1.542 2077651 K197HE3-CD-HD3 2.739 29.604 1.276 206047 K197HE2-CD-HD3 2.919 29.604 1.276 170089 K197HE3-CD-HD2 2.739 29.604 1.542 186888 K197HE2-CD-HD2 2.919 29.604 1.542 421117 K237HD3-CD-HD3 1.672 29.645 1.672 23361726 K237HD2-CD-HD2 1.758 29.645 1.758 34626076 K237HD2-CD-HD3 1.758 29.645 1.672 4696822 K237HB3-CD-HD3 1.655 29.645 1.672 23456646 K237HB3-CD-HD2 1.655 29.645 1.758 3671572 K237HB2-CD-HD2 1.706 29.645 1.758 24049820 K237HG3-CD-HD3 1.263 29.645 1.672 213249 K237HG2-CD-HD3 1.442 29.645 1.672 1391121 K237HG3-CD-HD2 1.263 29.645 1.758 352945 K237HG2-CD-HD2 1.442 29.645 1.758 212644 K237HE2-CD-HD3 3.064 29.645 1.672 499854 K237HE3-CD-HD2 3.064 29.645 1.758 543001 K216HD3-CD-HD3 1.519 29.700 1.519 8422468 K216HD2-CD-HD2 1.573 29.700 1.573 16636282 K216HD2-CD-HD3 1.573 29.700 1.519 12168111 K216HD3-CD-HD2 1.519 29.700 1.573 11408593 K216HB2-CD-HD3 1.777 29.700 1.519 919225 K216HB2-CD-HD2 1.777 29.700 1.573 670420 K216HG3-CD-HD3 1.358 29.700 1.519 1578405 K216HG2-CD-HD3 1.392 29.700 1.519 1452210 K216HG3-CD-HD2 1.358 29.700 1.573 1860636 K216HG2-CD-HD2 1.392 29.700 1.573 1676278 K216HE3-CD-HD3 2.857 29.700 1.519 533540 K216HE2-CD-HD2 2.857 29.700 1.573 623634 ?-?-? 0.876 29.753 1.513 314141 ?-?-? 0.872 29.810 1.575 330811 E269H-CB-HB3 8.182 30.040 1.862 285919 E269HA-CB-HB2 4.131 30.086 1.903 430622 E269HB2-CB-HB2 1.894 30.093 1.894 9863159 E269HB3-CB-HB3 1.857 30.093 1.857 10033400 E269HA-CB-HB3 4.133 30.093 1.857 419907 E269HG3-CB-HB2 2.123 30.093 1.894 547883 E269HG3-CB-HB3 2.123 30.093 1.857 797153 E269HG2-CB-HB2 2.200 30.093 1.894 351333 E269HG2-CB-HB3 2.200 30.093 1.857 464710 E269H-CB-HB2 8.189 30.169 1.904 374382 V191HA-CB-HB 4.164 30.587 2.431 148382 G238H-V191CB-HB 9.374 30.592 2.423 168520 K211HD3-CD-HD3 1.718 30.617 1.718 3533172 K211HD2-CD-HD2 1.896 30.617 1.896 11098637 K211HD2-CD-HD3 1.896 30.617 1.718 1827060 K211HD3-CD-HD2 1.718 30.617 1.896 1833328 K211HB3-CD-HD2 1.736 30.617 1.896 1833328 K211HB2-CD-HD2 1.780 30.617 1.896 1993787 K211HG3-CD-HD3 1.210 30.617 1.718 374041 K211HG2-CD-HD3 1.846 30.617 1.718 1045720 K211HG3-CD-HD2 1.207 30.617 1.903 351625 K211HG2-CD-HD2 1.846 30.617 1.896 7364482 K211HE3-CD-HD3 2.873 30.617 1.718 190861 K211HE2-CD-HD3 3.154 30.617 1.718 225741 K211HE3-CD-HD2 2.873 30.617 1.896 234824 K211HE2-CD-HD2 3.154 30.617 1.896 161872 ?-?-? 0.923 30.653 1.723 330863 V191HG2-CB-HB 0.816 30.691 2.429 600639 V191H-CB-HB 9.263 30.694 2.426 295108 V191HG1-CB-HB 0.692 30.702 2.427 663135 V191HB-CB-HB 2.443 30.719 2.443 17989500 ?-?-? 3.745 30.743 2.426 167333 D239H-V191CB-HB 8.123 30.743 2.428 201549 ?-?-? 0.916 30.829 1.905 328223 M172HA-CG-HG3 4.017 30.871 2.163 115997 M172HG2-CG-HG3 2.442 31.029 2.165 1610874 M172HG3-CG-HG2 2.172 31.029 2.451 1910604 M172HG3-CG-HG3 2.162 31.029 2.162 12981880 M172HG2-CG-HG2 2.456 31.029 2.456 18106732 M172HB3-CG-HG2 1.985 31.029 2.449 381717 M172HB3-CG-HG3 1.985 31.029 2.163 986506 M172HB2-CG-HG2 2.052 31.029 2.450 510729 M172HE-CG-HG2 2.009 31.029 2.451 518609 M172HE-CG-HG3 2.013 31.029 2.163 1353014 E242HB3-CB-HB3 1.806 31.130 1.806 1352294 E242H-CB-HB2 8.991 31.130 1.937 378821 E242HA-CB-HB3 5.076 31.130 1.806 188457 E242HG3-CB-HB2 1.929 31.130 1.932 8099263 E242HG3-CB-HB3 1.923 31.130 1.808 1316557 E242HG2-CB-HB3 2.043 31.130 1.806 499097 E242H-CB-HB3 8.997 31.130 1.806 223429 ?-?-? 1.085 31.142 1.944 144890 ?-?-? 0.739 31.142 1.947 281112 ?-?-? 1.080 31.178 1.806 166438 E178HB2-CB-HB2 2.507 31.225 2.500 1788875 ?-?-? 0.735 31.230 1.806 185854 E178HA-CB-HB2 4.258 31.238 2.502 138560 E178H-CB-HB2 7.783 31.245 2.499 127642 E242HA-CB-HB2 5.081 31.256 1.944 163564 E178H-CB-HB3 7.791 31.268 2.265 126561 Y174HD1-E178CB-HB3 6.924 31.308 2.258 116332 E178HA-CB-HB3 4.260 31.317 2.260 206054 E178HB3-CB-HB2 2.264 31.321 2.506 675125 E178HB2-CB-HB3 2.512 31.325 2.260 492735 E178HG2-CB-HB3 2.267 31.351 2.257 1338585 K175H-E178CB-HB2 8.785 31.383 2.496 107606 L183HD1-M180CG-HG2 0.701 31.402 2.472 232267 L183HD1-M180CG-HG3 0.703 31.402 2.401 340823 M180HA-CG-HG2 4.734 31.409 2.470 195423 M180HA-CG-HG3 4.734 31.409 2.399 191764 M180H-CG-HG2 6.468 31.409 2.470 140244 M180H-CG-HG3 6.468 31.409 2.399 135870 M180HG3-CG-HG3 2.399 31.409 2.399 8081898 M180HG2-CG-HG2 2.470 31.409 2.470 13833930 M180HB2-CG-HG3 2.047 31.409 2.399 413779 M180HB3-CG-HG2 1.691 31.409 2.470 530422 M180HB3-CG-HG3 1.691 31.409 2.399 462498 M180HB2-CG-HG2 2.047 31.409 2.470 625172 M180HE-CG-HG2 2.084 31.409 2.470 563594 M180HE-CG-HG3 2.084 31.409 2.399 337597 K175H-E178CB-HB3 8.790 31.422 2.253 91498 L183HD2-M180CG-HG2 0.578 31.462 2.472 134516 L183HD2-M180CG-HG3 0.590 31.488 2.404 154258 E190H-CB-HB2 9.023 31.516 1.940 431602 R202HA-CB-HB3 4.646 31.539 1.967 290628 V247HB-CB-HB 2.185 31.587 2.185 4930250 V247H-CB-HB 8.558 31.587 2.185 368647 V247HG1-CB-HB 0.580 31.587 2.185 760977 V247HG2-CB-HB 0.759 31.587 2.185 707991 ?-?-? 7.634 31.587 1.970 162302 N182H-V247CB-HB 8.814 31.587 2.184 180706 E190HA-CB-HB2 4.814 31.588 1.942 241168 E190HB3-CB-HB2 1.935 31.588 1.942 6913301 ?-?-? 7.163 31.630 2.188 226736 R202HB3-CB-HB3 1.963 31.642 1.963 6030102 V247HA-CB-HB 4.540 31.642 2.194 167441 R202HG3-CB-HB3 1.500 31.642 1.963 336860 R202HG2-CB-HB3 1.657 31.642 1.963 268876 R202HD3-CB-HB3 3.105 31.642 1.963 234612 R202HD2-CB-HB3 3.160 31.642 1.963 238728 R202H-CB-HB2 8.914 31.642 1.968 251175 ?-?-? 0.749 31.658 1.928 397354 E265HB2-CB-HB2 1.988 31.725 1.988 7334740 E265H-CB-HB2 8.137 31.725 1.997 312487 E265HG3-CB-HB3 2.237 31.725 1.911 727967 E265HG2-CB-HB2 2.228 31.725 1.996 946398 E265H-CB-HB3 8.137 31.725 1.911 299597 E265HB3-CB-HB3 1.911 31.725 1.911 15870406 E265HA-CB-HB2 4.421 31.749 1.997 410914 ?-?-? 0.752 31.774 1.978 259568 E265HA-CB-HB3 4.433 31.784 1.916 428428 K203HG3-CB-HB3 1.520 31.898 1.890 1064853 K203HG2-CB-HB2 1.546 31.898 1.890 1197174 K203HD2-CB-HB3 1.712 31.898 1.890 1513044 ?-?-? 7.634 31.898 1.890 197696 K203HB3-CB-HB2 1.890 31.898 1.890 24321974 K203H-CB-HB2 8.896 31.898 1.890 152290 ?-?-? 4.738 31.922 2.158 168356 L210H-Q209CB-HB3 9.063 31.932 2.215 150946 ?-?-? 0.601 31.934 1.871 217671 ?-?-? 1.139 31.951 2.405 253676 ?-?-? 7.276 31.957 2.217 111432 ?-?-? 4.754 31.968 1.884 246945 P181HB3-CB-HB3 1.870 31.982 1.870 15139280 P181HA-CB-HB2 3.771 31.982 2.153 526492 P181HA-CB-HB3 3.771 31.982 1.870 344279 P181HG3-CB-HB2 1.737 31.982 2.153 480452 P181HG2-CB-HB2 2.145 31.982 2.153 4456025 P181HG2-CB-HB3 2.145 31.982 1.870 2378529 P181HD2-CB-HB2 3.695 31.982 2.153 317138 P181HD3-CB-HB3 3.572 31.982 1.870 158371 P181HB3-CB-HB2 1.870 31.982 2.153 1681226 P181HD2-CB-HB3 3.695 31.982 1.870 268425 P181HD3-CB-HB2 3.572 31.982 2.153 123665 N182H-P181CB-HB3 8.810 31.982 1.870 206894 L210H-Q209CG-HG3 9.059 31.984 1.634 156323 N182H-P181CB-HB2 8.820 31.988 2.158 318869 Q209HB2-CB-HB2 2.455 31.994 2.455 10779851 Q209HB3-CB-HB3 2.222 31.994 2.222 1347322 Q209H-CB-HB2 7.997 31.994 2.455 149091 Q209HA-CB-HB2 5.590 31.994 2.455 93306 Q209HA-CB-HB3 5.590 31.994 2.222 217760 Q209HG3-CB-HB2 1.639 31.994 2.455 521228 Q209HG2-CB-HB2 2.301 31.994 2.455 1225021 Q209HG2-CB-HB3 2.301 31.994 2.222 934496 Q209HB3-CB-HB2 2.222 31.994 2.455 1125291 Q209HB2-CB-HB3 2.455 31.994 2.222 491227 ?-?-? 1.224 31.998 2.307 224838 Q209HG3-CB-HB3 1.631 32.002 2.218 786347 Q209HG3-CG-HG2 1.632 32.009 2.306 473176 K175H-CB-HB3 8.792 32.012 1.568 138484 K175HB2-CB-HB2 2.407 32.017 2.407 4510596 K175HB3-CB-HB3 1.564 32.017 1.567 1024578 K175H-CB-HB2 8.789 32.017 2.407 112116 K175HA-CB-HB2 4.550 32.017 2.407 198883 K175HB3-CB-HB2 1.552 32.017 2.407 903801 K175HD2-CB-HB3 1.798 32.017 1.552 251289 K175HD3-CB-HB2 1.609 32.017 2.407 528693 Q209HE21-CG-HG2 7.281 32.018 2.308 189202 ?-?-? 1.211 32.019 2.448 228341 R223HB3-CB-HB3 1.741 32.022 1.741 2834636 R223H-CB-HB2 7.513 32.022 1.875 335385 R223HA-CB-HB2 4.923 32.022 1.875 286961 K175HA-CB-HB3 4.556 32.022 1.567 113472 R223HG3-CB-HB2 1.466 32.022 1.875 415903 R223HG3-CB-HB3 1.466 32.022 1.741 416625 R223HG2-CB-HB2 1.548 32.022 1.875 921853 R223HG2-CB-HB3 1.548 32.022 1.741 320455 R223HD3-CB-HB3 3.080 32.022 1.741 312936 R223HB3-CB-HB2 1.741 32.022 1.875 2396521 R223HB2-CB-HB3 1.875 32.022 1.741 1585716 G224H-R223CB-HB3 9.053 32.022 1.741 132840 G224H-R223CB-HB2 9.053 32.022 1.875 239630 R223HA-CB-HB3 4.925 32.032 1.750 263410 K203HA-CB-HB2 4.092 32.033 1.894 929623 K175HB2-CB-HB3 2.394 32.037 1.565 467455 ?-?-? 1.222 32.039 2.217 194326 R223HD3-CB-HB2 3.076 32.043 1.878 339340 Q209HA-CG-HG2 5.590 32.046 2.301 124088 Q209HA-CG-HG3 5.590 32.046 1.639 253978 Q209H-CG-HG2 7.997 32.046 2.301 121952 Q209H-CG-HG3 7.997 32.046 1.639 98121 Q209HG2-CG-HG3 2.296 32.046 1.631 618208 Q209HG3-CG-HG3 1.639 32.046 1.639 2309101 Q209HG2-CG-HG2 2.301 32.046 2.301 1199599 Q209HB2-CG-HG3 2.444 32.046 1.631 426318 Q209HB3-CG-HG2 2.222 32.046 2.301 845481 Q209HB3-CG-HG3 2.210 32.046 1.633 992708 Q209HB2-CG-HG2 2.455 32.046 2.301 763880 ?-?-? 1.887 32.050 1.556 482443 ?-?-? 7.279 32.058 2.450 186559 Q209HE22-CG-HG2 7.015 32.061 2.309 114488 Q209H-CB-HB3 8.008 32.061 2.211 101086 R223H-CB-HB3 7.516 32.066 1.749 324456 ?-?-? 7.011 32.091 2.455 106468 ?-?-? 1.142 32.098 1.561 188186 P196HB3-CB-HB3 1.887 32.106 1.887 24305690 P196HA-CB-HB2 4.504 32.106 2.455 795736 P196HA-CB-HB3 4.504 32.106 1.887 464041 P196HG3-CB-HB2 2.102 32.106 2.455 684359 P196HG3-CB-HB3 2.102 32.106 1.887 1580379 P196HG2-CB-HB2 2.200 32.106 2.455 980182 P196HG2-CB-HB3 2.200 32.106 1.887 1411799 P196HD2-CB-HB2 4.019 32.106 2.455 101081 P196HD3-CB-HB3 3.829 32.106 1.887 146833 P196HB3-CB-HB2 1.887 32.106 2.455 1949515 P196HD3-CB-HB2 3.829 32.106 2.455 122041 K197H-P196CB-HB3 8.728 32.106 1.887 139028 K197H-P196CB-HB2 8.728 32.106 2.455 248394 P196HD2-CB-HB3 4.019 32.106 1.887 244800 P196HB2-CB-HB3 2.454 32.144 1.893 1515149 ?-?-? 3.098 32.197 2.003 428539 W227H-CB-HB2 9.437 32.214 3.351 253283 W227HB2-CB-HB2 3.345 32.242 3.345 720341 W227HB3-CB-HB3 3.224 32.242 3.224 387942 W227HA-CB-HB2 5.033 32.242 3.345 172488 W227HA-CB-HB3 5.033 32.242 3.224 138357 W227HD1-CB-HB2 7.340 32.242 3.345 107889 W227HD1-CB-HB3 7.340 32.242 3.224 116744 W227HB3-CB-HB2 3.224 32.242 3.345 665116 W227HB2-CB-HB3 3.345 32.242 3.224 678797 W227H-CB-HB3 9.440 32.242 3.224 286793 W227HE3-CB-HB2 7.686 32.264 3.348 135019 W227HE3-CB-HB3 7.691 32.369 3.227 94494 K237HB2-CB-HB2 1.706 32.373 1.706 2814203 K237HA-CB-HB2 3.751 32.373 1.723 275738 K237HA-CB-HB3 3.751 32.373 1.655 204488 K237HG3-CB-HB2 1.263 32.373 1.706 268986 K237HG3-CB-HB3 1.263 32.373 1.655 330718 K237HG2-CB-HB2 1.442 32.373 1.706 366994 K237HG2-CB-HB3 1.442 32.373 1.655 270244 K237HD2-CB-HB2 1.758 32.373 1.706 2137190 K237HD3-CB-HB3 1.672 32.373 1.655 2571603 K237HB2-CB-HB3 1.706 32.373 1.655 2554193 K237H-CB-HB3 8.380 32.373 1.655 383763 K237HD2-CB-HB3 1.758 32.373 1.655 1535771 K237HD3-CB-HB2 1.672 32.373 1.706 2655244 K237H-CB-HB2 8.384 32.383 1.718 353752 E199HA-CB-HB3 5.152 32.403 2.026 605210 L226HD2-V258CB-HB 0.780 32.420 2.158 952595 E199HB2-CB-HB2 2.020 32.453 2.020 17232494 E199HG3-CB-HB2 2.243 32.453 2.020 1237194 E199HG2-CB-HB2 2.294 32.453 2.020 687561 F200H-E199CB-HB3 8.174 32.453 2.020 422397 E199H-CB-HB2 8.553 32.459 2.027 675638 ?-?-? 3.093 32.484 2.007 424955 V258HB-CB-HB 2.157 32.493 2.157 2784453 V258H-CB-HB 8.553 32.493 2.157 424473 V258HA-CB-HB 3.769 32.493 2.155 440216 V258HG1-CB-HB 0.841 32.493 2.157 686935 V258HG2-CB-HB 0.721 32.493 2.157 787950 I176HG2-CG1-HG12 0.490 32.516 1.703 465799 I176HG2-CG1-HG13 0.487 32.516 0.548 383683 I176HD1-CG1-HG12 0.666 32.516 1.703 420663 I176HG12-CG1-HG12 1.703 32.516 1.703 2919896 I176HG13-CG1-HG13 0.551 32.516 0.548 483145 I176HG13-CG1-HG12 0.553 32.516 1.703 531371 I176HB-CG1-HG13 1.633 32.516 0.548 219706 I176HG12-CG1-HG13 1.691 32.517 0.549 299092 ?-?-? 3.315 32.522 0.547 105915 ?-?-? 10.394 32.522 1.699 165857 V192HG1-CB-HB 0.957 32.532 2.004 996807 V192HG2-CB-HB 0.874 32.532 2.004 844161 V192HB-CB-HB 1.999 32.532 1.999 15765590 V192H-CB-HB 9.143 32.546 2.007 456624 I176HD1-CG1-HG13 0.651 32.550 0.550 356385 A193H-V192CB-HB 7.769 32.561 2.005 386778 V192HA-CB-HB 4.155 32.567 2.007 493629 ?-?-? 7.124 32.595 2.008 198894 ?-?-? 10.409 32.607 0.552 89333 ?-?-? 3.311 32.612 1.702 141371 ?-?-? 4.480 32.619 2.160 164858 M172HB2-CB-HB2 2.050 32.726 2.063 6890726 M172HB3-CB-HB3 1.985 32.726 1.985 7765584 M172HA-CB-HB3 4.017 32.726 1.985 176260 M172HG3-CB-HB2 2.168 32.726 2.067 848313 M172HG3-CB-HB3 2.170 32.726 1.985 1118795 ?-?-? 6.797 32.792 2.066 126194 M172HG2-CB-HB3 2.442 32.873 1.992 205835 ?-?-? 6.804 32.878 1.987 127533 M172HA-CB-HB2 4.021 32.897 2.067 205883 M172HG2-CB-HB2 2.445 32.905 2.072 182692 ?-?-? 0.907 33.260 1.706 88868 K197HE2-CB-HB3 2.912 33.292 1.765 214633 K197HA-CB-HB2 4.570 33.296 1.767 534528 K198H-K197CB-HB3 9.242 33.309 1.771 298057 K197HE3-CB-HB3 2.744 33.314 1.768 116307 K197H-CB-HB2 8.730 33.320 1.768 557556 K266H-CB-HB3 8.634 33.329 1.709 380756 K266HB2-CB-HB2 1.818 33.345 1.818 5466393 K266HB3-CB-HB3 1.706 33.345 1.706 7521227 K266HG3-CB-HB2 1.370 33.345 1.818 449831 K266HG3-CB-HB3 1.370 33.345 1.706 435470 K266HG2-CB-HB2 1.461 33.345 1.818 363035 K266HG2-CB-HB3 1.461 33.345 1.706 592276 K266HD2-CB-HB2 1.656 33.345 1.818 1341613 K266HD3-CB-HB3 1.656 33.345 1.706 2960057 K266HB3-CB-HB2 1.706 33.345 1.818 3616938 K266HB2-CB-HB3 1.818 33.345 1.706 3785619 K266HD2-CB-HB3 1.656 33.345 1.706 2960057 K266HD3-CB-HB2 1.656 33.345 1.818 1341613 K197HB2-CB-HB2 1.761 33.355 1.761 10161874 K197HG2-CB-HB2 1.328 33.355 1.761 866677 K197HD3-CB-HB3 1.276 33.355 1.761 738312 K197HD2-CB-HB3 1.542 33.355 1.761 306956 K266HA-CB-HB2 4.342 33.363 1.823 432497 K266HA-CB-HB3 4.344 33.375 1.709 362686 K266H-CB-HB2 8.638 33.382 1.823 280138 S267H-K266CB-HB2 8.900 33.387 1.826 111376 ?-?-? 0.913 33.431 1.821 119126 Q249HE22-CG-HG3 6.799 33.471 2.234 99121 Q249HA-CG-HG2 4.307 33.511 2.335 168910 Q249HA-CG-HG3 4.307 33.511 2.240 179246 Q249H-CG-HG2 8.833 33.511 2.335 123693 Q249H-CG-HG3 8.833 33.511 2.240 141407 Q249HG2-CG-HG3 2.335 33.511 2.240 4210378 Q249HG3-CG-HG2 2.240 33.511 2.335 3967840 Q249HG3-CG-HG3 2.240 33.511 2.240 6172471 Q249HG2-CG-HG2 2.335 33.511 2.335 5833622 Q249HB2-CG-HG3 2.074 33.511 2.240 854913 Q249HB3-CG-HG2 1.854 33.511 2.335 511097 Q249HB3-CG-HG3 1.854 33.511 2.240 511544 Q249HB2-CG-HG2 2.074 33.511 2.335 752786 Q249HE21-CG-HG2 7.559 33.511 2.335 213297 Q249HE22-CG-HG2 6.799 33.511 2.335 89088 Q249HE21-CG-HG3 7.559 33.511 2.240 270451 G250H-Q249CG-HG2 8.136 33.511 2.335 86727 G250H-Q249CG-HG3 8.136 33.511 2.240 110591 S267H-K266CB-HB3 8.894 33.512 1.712 90940 ?-?-? 0.613 33.551 2.339 151319 ?-?-? 0.605 33.597 2.239 152609 ?-?-? 7.199 33.829 2.176 281765 V235HB-CB-HB 2.176 33.838 2.176 3622879 V235H-CB-HB 7.492 33.838 2.176 178785 V235HA-CB-HB 4.550 33.838 2.176 647148 V235HG1-CB-HB 0.954 33.838 2.176 1164848 V235HG2-CB-HB 1.071 33.838 2.176 832752 K236H-V235CB-HB 9.121 33.838 2.176 186716 ?-?-? 7.025 33.852 2.174 432207 I256H-E255CB-HB3 9.050 33.855 1.752 260309 E255HB2-CB-HB2 1.903 33.894 1.903 3198352 E255HB3-CB-HB3 1.741 33.894 1.741 10211543 E255H-CB-HB2 8.803 33.894 1.903 147682 E255HG3-CB-HB2 1.983 33.894 1.903 1744910 E255HG3-CB-HB3 1.983 33.894 1.741 1031412 E255HG2-CB-HB2 2.031 33.894 1.903 845129 E255HG2-CB-HB3 2.031 33.894 1.741 708163 E255HB3-CB-HB2 1.741 33.894 1.903 2215505 E255HB2-CB-HB3 1.903 33.894 1.741 2233228 E255H-CB-HB3 8.805 33.894 1.746 231561 I256H-E255CB-HB2 9.042 33.894 1.903 344164 ?-?-? 0.565 33.935 2.176 123392 E255HA-CB-HB3 5.087 33.938 1.750 398552 E255HA-CB-HB2 5.086 34.014 1.907 364366 K207HB3-CB-HB3 1.710 34.393 1.710 16176383 K207HG3-CB-HB2 1.350 34.393 1.710 628013 K207HD3-CB-HB3 1.537 34.393 1.710 442222 K207HD2-CB-HB3 1.564 34.393 1.710 406461 K207HG2-CB-HB3 1.437 34.393 1.710 757462 M180HB2-CB-HB2 2.040 34.417 2.051 2090271 M180HB3-CB-HB3 1.691 34.417 1.691 12979375 M180HG3-CB-HB2 2.399 34.417 2.051 416928 M180HG3-CB-HB3 2.399 34.417 1.691 389309 M180HG2-CB-HB2 2.467 34.417 2.052 414444 M180HG2-CB-HB3 2.470 34.417 1.691 423222 M180HB2-CB-HB3 2.047 34.417 1.691 2222828 M180H-CB-HB3 6.468 34.417 1.691 180231 K207H-CB-HB2 8.423 34.428 1.718 698733 K207HA-CB-HB3 4.904 34.428 1.715 615032 G208H-K207CB-HB3 8.224 34.430 1.713 324400 ?-?-? 0.690 34.456 2.052 120363 M180HA-CB-HB2 4.734 34.479 2.053 342957 ?-?-? 0.702 34.479 1.690 124586 ?-?-? 3.573 34.479 2.052 383678 ?-?-? 3.693 34.493 1.696 184881 M180HB3-CB-HB2 1.697 34.495 2.052 2371591 M180HA-CB-HB3 4.731 34.498 1.696 289557 ?-?-? 3.690 34.501 2.053 242563 ?-?-? 0.583 34.525 1.691 135385 ?-?-? 3.576 34.527 1.693 306214 ?-?-? 0.584 34.550 2.052 136214 V243H-CB-HB 9.021 34.558 1.913 344164 M180H-CB-HB2 6.470 34.561 2.051 134414 V243HA-CB-HB 4.689 34.634 1.916 148459 ?-?-? 0.562 34.697 1.914 397988 V243HB-CB-HB 1.905 34.700 1.910 3615219 V243HG1-CB-HB 0.791 34.700 1.912 1244218 V243HG2-CB-HB 0.775 34.700 1.913 1307004 ?-?-? 1.307 34.740 1.915 366448 ?-?-? 1.066 34.751 1.915 382067 ?-?-? 0.331 35.832 1.889 144623 ?-?-? 0.330 35.861 1.743 187974 ?-?-? 0.472 35.888 1.743 146518 K198H-CB-HB2 9.247 35.908 1.883 387793 ?-?-? 1.748 35.918 1.504 434000 E234HA-CG-HG2 4.164 35.928 2.085 404802 E234HA-CG-HG3 4.166 35.928 2.061 401071 E234H-CG-HG2 7.929 35.928 2.079 224176 E234H-CG-HG3 7.929 35.928 2.056 214588 E234HG3-CG-HG3 2.056 35.928 2.056 19841422 E234HG2-CG-HG2 2.075 35.928 2.079 21947060 E234HB3-CG-HG2 1.682 35.928 2.081 889493 E234HB3-CG-HG3 1.680 35.928 2.056 711432 E234HB2-CG-HG2 1.745 35.928 2.078 1152996 V235H-E234CG-HG2 7.494 35.928 2.079 152032 V235H-E234CG-HG3 7.492 35.928 2.056 168101 E234HB2-CG-HG3 1.745 35.928 2.056 1419043 E255HA-CG-HG3 5.091 35.961 1.987 132886 ?-?-? 1.882 35.964 1.505 550142 ?-?-? 0.477 35.988 1.887 136538 E255HA-CG-HG2 5.088 36.038 2.044 157328 E255H-CG-HG2 8.806 36.038 2.040 142598 E255H-CG-HG3 8.803 36.038 1.983 242253 E255HG3-CG-HG3 1.983 36.038 1.983 4670846 E255HG2-CG-HG2 2.031 36.038 2.031 11628766 E255HB2-CG-HG3 1.903 36.038 1.983 1386923 E255HB3-CG-HG3 1.741 36.038 1.983 658361 E255HB2-CG-HG2 1.903 36.038 2.040 2752426 I256H-E255CG-HG2 9.042 36.038 2.031 210086 I256H-E255CG-HG3 9.042 36.038 1.983 142004 E255HB3-CG-HG2 1.738 36.038 2.041 1034799 K198HB2-CB-HB2 1.888 36.069 1.888 7804880 K198HB3-CB-HB3 1.742 36.069 1.742 7876293 K198HA-CB-HB2 4.795 36.069 1.888 643616 K198HA-CB-HB3 4.795 36.069 1.742 464005 K198HG3-CB-HB2 1.495 36.069 1.888 750877 K198HG2-CB-HB3 1.495 36.069 1.742 670182 K198HB2-CB-HB3 1.888 36.069 1.742 3294300 K198H-CB-HB3 9.241 36.069 1.742 303382 K198HD2-CB-HB3 1.712 36.069 1.742 79367 K198HD3-CB-HB2 1.733 36.069 1.886 3628796 E199H-K198CB-HB3 8.547 36.069 1.742 218657 E199H-K198CB-HB2 8.547 36.069 1.888 257102 ?-?-? 0.776 36.075 2.225 130834 K248HB2-CB-HB2 1.851 36.130 1.851 4650920 K248HB3-CB-HB3 1.777 36.130 1.777 5547110 K248H-CB-HB2 9.098 36.130 1.851 198141 K248HA-CB-HB2 4.732 36.130 1.851 399699 K248HA-CB-HB3 4.732 36.130 1.777 354394 K248HG3-CB-HB2 1.342 36.130 1.851 333785 K248HG3-CB-HB3 1.342 36.130 1.777 276113 K248HG2-CB-HB2 1.511 36.130 1.851 347514 K248HG2-CB-HB3 1.511 36.130 1.777 308098 K248HD2-CB-HB2 1.742 36.130 1.851 3174333 K248HB3-CB-HB2 1.777 36.130 1.851 4315484 K248HB2-CB-HB3 1.851 36.130 1.777 3424272 K248H-CB-HB3 9.098 36.130 1.777 268899 K248HD2-CB-HB3 1.742 36.130 1.777 5546204 Q249H-K248CB-HB2 8.833 36.130 1.851 354783 E190HA-CG-HG3 4.814 36.133 2.052 218335 E190H-CG-HG2 9.039 36.133 2.052 268419 E190H-CG-HG3 9.039 36.133 2.052 268419 E190HG3-CG-HG3 2.052 36.133 2.052 18593452 E190HB3-CG-HG3 1.935 36.133 2.052 4683054 V191H-E190CG-HG2 9.253 36.133 2.043 149158 E269HA-CG-HG3 4.133 36.171 2.123 260101 E269H-CG-HG2 8.183 36.171 2.194 160881 E269H-CG-HG3 8.186 36.171 2.128 133813 E269HG2-CG-HG3 2.200 36.171 2.123 12256002 E269HG3-CG-HG2 2.123 36.171 2.200 13904458 E269HG3-CG-HG3 2.123 36.171 2.123 12488900 E269HG2-CG-HG2 2.200 36.171 2.200 15383368 E269HB2-CG-HG3 1.894 36.171 2.123 578947 E269HB3-CG-HG2 1.857 36.171 2.200 714912 E269HB3-CG-HG3 1.857 36.171 2.123 507167 E269HB2-CG-HG2 1.894 36.171 2.200 917119 ?-?-? 0.878 36.217 2.226 251513 Q249H-K248CB-HB3 8.834 36.221 1.788 323560 K236HB2-CB-HB2 1.764 36.222 1.764 7227402 K236HB3-CB-HB3 1.711 36.222 1.711 3738778 K236H-CB-HB2 9.121 36.222 1.764 267643 K236HA-CB-HB2 4.612 36.222 1.756 546721 K236HA-CB-HB3 4.612 36.222 1.711 493812 K236HG3-CB-HB2 1.182 36.222 1.764 347170 K236HG3-CB-HB3 1.182 36.222 1.711 358132 K236HG2-CB-HB2 1.418 36.222 1.764 354713 K236HG2-CB-HB3 1.418 36.222 1.711 351480 K236HD3-CB-HB3 1.583 36.222 1.711 580223 E265HA-CG-HG3 4.422 36.222 2.237 321291 E265H-CG-HG3 8.146 36.222 2.234 169335 E265HG3-CG-HG3 2.237 36.222 2.237 18233192 E265HB2-CG-HG3 1.988 36.222 2.237 816228 E265HB3-CG-HG3 1.911 36.222 2.237 632201 K236HB3-CB-HB2 1.711 36.222 1.764 4937886 K236HB2-CB-HB3 1.764 36.222 1.711 4380310 K236H-CB-HB3 9.121 36.222 1.711 190899 K236HD3-CB-HB2 1.583 36.222 1.764 411249 K266H-E265CG-HG2 8.632 36.222 2.229 159004 ?-?-? 0.747 36.256 2.045 294104 E269HA-CG-HG2 4.135 36.272 2.191 241443 K237H-K236CB-HB2 8.381 36.340 1.757 260756 K237H-K236CB-HB3 8.378 36.345 1.706 306367 ?-?-? 0.904 36.543 2.514 165175 L230H-E229CG-HG2 7.930 36.556 2.515 210417 E229HB3-CG-HG3 2.207 36.566 2.513 2542370 E229HG3-CG-HG3 2.510 36.570 2.514 19580216 E229HA-CG-HG3 4.228 36.572 2.514 569674 E229H-CG-HG3 10.034 36.573 2.514 251019 ?-?-? 6.788 36.574 1.629 141575 I176HB-CB-HB 1.631 36.598 1.629 1243296 I176HG2-CB-HB 0.498 36.598 1.628 656287 I176HG13-CB-HB 0.553 36.598 1.628 367115 N182H-CB-HB2 8.813 36.630 3.183 83178 I240H-CB-HB 8.825 36.632 1.966 354085 ?-?-? 1.912 36.632 2.513 167148 ?-?-? 8.140 36.643 1.967 206187 I240HA-CB-HB 4.677 36.655 1.966 164009 S177H-I176CB-HB 8.985 36.667 1.626 128304 I176H-CB-HB 10.391 36.671 1.629 297663 I176HD1-CB-HB 0.660 36.681 1.629 383461 I176HA-CB-HB 3.307 36.703 1.628 100906 I240HG12-CB-HB 1.467 36.704 1.963 376023 N182HD21-CB-HB2 7.689 36.713 3.186 239810 N182HB2-CB-HB2 3.181 36.745 3.181 3739278 N182HB3-CB-HB3 3.117 36.745 3.117 3954691 N182HA-CB-HB2 4.203 36.745 3.181 462357 N182HA-CB-HB3 4.203 36.745 3.117 405268 N182HB3-CB-HB2 3.117 36.745 3.181 3906024 N182HB2-CB-HB3 3.181 36.745 3.117 3926619 I240HG13-CB-HB 1.403 36.753 1.964 371891 N182HD21-CB-HB3 7.690 36.767 3.118 273436 I240HB-CB-HB 1.963 36.810 1.962 2871544 I240HG2-CB-HB 0.773 36.810 1.965 962474 I240HD1-CB-HB 0.746 36.810 1.966 861430 N182H-CB-HB3 8.810 36.812 3.122 107012 N182HD22-CB-HB3 7.085 36.829 3.116 147595 N228HD22-CB-HB2 7.148 36.857 3.317 159309 N228HB2-CB-HB2 3.313 36.865 3.316 1079607 E229H-N228CB-HB2 10.033 36.885 3.317 440788 N182HD22-CB-HB2 7.086 36.893 3.186 135462 N228HD21-CB-HB2 8.106 36.894 3.317 297502 N228HB3-CB-HB2 3.064 36.896 3.316 1091800 N228HB3-CB-HB3 3.065 36.898 3.065 1380980 N228HA-CB-HB3 4.539 36.898 3.065 283782 N228HD21-CB-HB3 8.104 36.898 3.065 316148 N228HD22-CB-HB3 7.150 36.898 3.065 510132 N228HB2-CB-HB3 3.308 36.898 3.065 1110147 E229H-N228CB-HB3 10.032 36.898 3.065 477783 N228HA-CB-HB2 4.536 36.918 3.318 220723 I263HA-CB-HB 4.587 36.929 2.084 219632 I263HB-CB-HB 2.076 36.938 2.076 6714812 I263HG2-CB-HB 0.916 36.938 2.083 1089618 I263HD1-CB-HB 0.957 36.938 2.084 772389 I263HG12-CB-HB 1.695 36.938 2.082 910512 I263HG13-CB-HB 1.652 36.938 2.081 759881 ?-?-? 1.720 36.944 2.240 127563 I263H-CB-HB 9.027 36.986 2.082 711923 E242HA-CG-HG2 5.076 37.021 2.043 201258 E242H-CG-HG2 8.997 37.021 2.043 231522 E242H-CG-HG3 8.997 37.021 1.902 176420 E242HG2-CG-HG3 2.043 37.021 1.902 1650419 E242HG3-CG-HG2 1.902 37.021 2.043 2177038 E242HG3-CG-HG3 1.902 37.021 1.902 3076282 E242HG2-CG-HG2 2.043 37.021 2.043 4341572 E242HB3-CG-HG2 1.806 37.021 2.043 765585 E242HB3-CG-HG3 1.806 37.021 1.902 1089073 ?-?-? 0.750 37.049 2.047 191792 ?-?-? 1.078 37.073 2.048 420712 L226HB3-K211CB-HB2 1.107 37.122 1.780 79804 L226HB3-K211CB-HB3 1.103 37.122 1.734 79468 ?-?-? 1.083 37.134 1.907 315812 K211HB2-CB-HB2 1.780 37.139 1.780 4113511 K211HB3-CB-HB3 1.736 37.139 1.736 2328268 K211H-CB-HB2 8.903 37.139 1.780 223783 K211HA-CB-HB2 4.681 37.139 1.780 183272 K211HA-CB-HB3 4.681 37.139 1.736 144579 K211HG3-CB-HB2 1.210 37.139 1.780 381867 K211HG3-CB-HB3 1.210 37.139 1.736 351919 K211HG2-CB-HB2 1.846 37.139 1.780 2335394 K211HG2-CB-HB3 1.846 37.139 1.736 910738 K211HD2-CB-HB2 1.896 37.139 1.780 861787 K211H-CB-HB3 8.903 37.139 1.736 73581 K211HD2-CB-HB3 1.896 37.139 1.736 599336 E242HA-CG-HG3 5.085 37.163 1.905 168486 E199HA-CG-HG3 5.152 37.185 2.238 186516 ?-?-? 1.722 37.190 2.295 122510 E178HG3-CG-HG2 2.276 37.223 2.276 7324396 E178HB2-CG-HG2 2.489 37.223 2.293 501103 E199H-CG-HG2 8.549 37.240 2.299 136954 E199H-CG-HG3 8.550 37.240 2.238 161919 E199HG3-CG-HG3 2.243 37.240 2.243 10978813 E199HG2-CG-HG2 2.294 37.240 2.294 9924879 E199HB2-CG-HG3 2.025 37.240 2.238 1027458 F200H-E199CG-HG3 8.180 37.240 2.238 114079 E199HB3-CG-HG2 2.031 37.249 2.299 1089784 A231HA-K211CB-HB2 3.961 37.259 1.781 115015 ?-?-? 2.871 37.259 1.777 150332 ?-?-? 4.014 37.271 3.024 95788 ?-?-? 9.000 37.274 3.022 108029 E199HA-CG-HG2 5.155 37.275 2.302 190775 F200H-E199CG-HG2 8.186 37.285 2.303 94839 Y195H-CB-HB2 8.107 37.306 3.238 247185 ?-?-? 9.003 37.313 3.244 80444 ?-?-? 1.561 37.322 2.296 323718 E178H-CG-HG3 7.788 37.324 2.294 254430 Y195HD1-CB-HB2 7.097 37.342 3.239 187013 Y195HA-CB-HB2 4.778 37.363 3.238 321267 E178HA-CG-HG3 4.257 37.364 2.293 348876 Y195HB2-CB-HB2 3.233 37.376 3.233 1047674 Y195HB3-CB-HB3 3.023 37.376 3.023 1791679 Y195HB3-CB-HB2 3.023 37.376 3.233 936121 Y195HB2-CB-HB3 3.233 37.376 3.023 880537 Y195H-CB-HB3 8.108 37.376 3.030 334890 Y195HD2-CB-HB3 7.100 37.376 3.028 181129 ?-?-? 4.024 37.390 3.236 165262 ?-?-? 3.829 37.418 3.238 255522 ?-?-? 3.832 37.477 3.033 192933 Y195HA-CB-HB3 4.785 37.524 3.030 325041 D217H-K216CB-HB2 8.911 37.564 1.780 264459 D217H-K216CB-HB3 8.908 37.626 1.590 123292 K216H-CB-HB3 9.212 37.677 1.589 259394 K216HB2-CB-HB2 1.777 37.681 1.777 3464600 K216HB3-CB-HB3 1.588 37.681 1.588 3093158 K216HG3-CB-HB2 1.358 37.681 1.777 489114 K216HG3-CB-HB3 1.358 37.681 1.588 483895 K216HG2-CB-HB2 1.392 37.681 1.777 434187 K216HG2-CB-HB3 1.392 37.681 1.588 466417 K216HD2-CB-HB2 1.573 37.681 1.777 1897852 K216HD3-CB-HB3 1.519 37.681 1.588 714712 K216HB3-CB-HB2 1.588 37.681 1.777 2068675 K216HB2-CB-HB3 1.777 37.681 1.588 1767231 K216HD2-CB-HB3 1.573 37.681 1.588 2751942 K216HD3-CB-HB2 1.519 37.681 1.777 565982 ?-?-? 0.880 37.682 1.780 497129 K216HA-CB-HB3 5.252 37.684 1.588 267753 K216H-CB-HB2 9.213 37.685 1.780 222183 ?-?-? 0.875 37.707 1.588 443844 ?-?-? 5.656 37.718 1.591 91660 K216HA-CB-HB2 5.250 37.719 1.781 344676 ?-?-? 3.675 37.768 1.590 158838 ?-?-? 5.663 37.788 1.780 122386 ?-?-? 3.675 37.791 1.780 175747 K216HE2-CB-HB2 2.857 37.806 1.779 174013 Y251HB2-CB-HB2 3.071 38.140 3.071 6533862 Y251HB3-CB-HB3 3.035 38.140 3.035 6830254 Y251H-CB-HB2 8.725 38.140 3.071 149546 Y251HA-CB-HB2 4.310 38.140 3.071 581120 Y251HA-CB-HB3 4.310 38.140 3.035 579543 Y251HD2-CB-HB2 7.164 38.140 3.071 504372 Y251H-CB-HB3 8.725 38.140 3.035 169588 Y251HD2-CB-HB3 7.164 38.140 3.035 494879 ?-?-? 1.959 38.455 1.694 347735 I264HG13-CB-HB 1.099 38.459 1.695 339605 I264HD1-CB-HB 0.750 38.465 1.694 712713 I264HB-CB-HB 1.694 38.469 1.695 3686746 I264HG12-CB-HB 1.396 38.485 1.695 440109 I264HA-CB-HB 4.184 38.486 1.694 263488 I264HG2-CB-HB 0.866 38.490 1.694 1019160 E265H-I264CB-HB 8.142 38.494 1.694 317901 I264H-CB-HB 9.048 38.508 1.694 460822 ?-?-? 4.601 38.545 1.693 115807 N173HD22-CB-HB3 6.865 39.236 2.536 108932 N173HD22-CB-HB2 6.857 39.263 2.638 102421 N173H-CB-HB3 8.466 39.270 2.537 97706 Y174H-N173CB-HB3 8.836 39.296 2.532 103314 N173HA-CB-HB2 5.274 39.304 2.641 349570 ?-?-? 1.146 39.340 2.805 129243 D218H-CB-HB3 8.997 39.375 2.802 317474 N173HB2-CB-HB2 2.624 39.376 2.636 5542596 N173HB3-CB-HB3 2.536 39.376 2.536 2479116 N173HA-CB-HB3 5.267 39.376 2.536 263225 N173HD21-CB-HB3 7.476 39.376 2.536 141271 N173HB3-CB-HB2 2.527 39.376 2.633 1948520 N173HB2-CB-HB3 2.622 39.376 2.536 2154498 D218HB2-CB-HB2 2.799 39.377 2.802 6096897 D218HA-CB-HB2 4.505 39.401 2.802 933356 Y174H-N173CB-HB2 8.839 39.410 2.646 170246 N173HD21-CB-HB2 7.480 39.473 2.646 155077 D204HB2-CB-HB2 3.119 40.030 3.121 2990804 D204H-CB-HB3 7.635 40.032 2.588 247876 D204H-CB-HB2 7.637 40.038 3.121 184366 D204HB2-CB-HB3 3.118 40.056 2.589 2542086 D204HA-CB-HB2 4.518 40.058 3.119 780579 D204HB3-CB-HB2 2.585 40.061 3.120 2449597 D204HB3-CB-HB3 2.591 40.064 2.591 7223006 D204HA-CB-HB3 4.516 40.064 2.591 733240 ?-?-? 4.343 40.387 3.307 123152 F233HD1-CB-HB3 7.024 40.472 2.935 605756 ?-?-? 0.921 40.480 3.306 291913 F233HA-CB-HB2 4.104 40.496 3.307 332497 F233H-CB-HB3 7.853 40.498 2.936 507077 F233HD2-CB-HB2 7.020 40.502 3.305 405327 F233H-CB-HB2 7.854 40.504 3.305 517570 F233HB2-CB-HB2 3.305 40.507 3.306 1143956 F233HB2-CB-HB3 3.304 40.511 2.936 1061098 ?-?-? 0.752 40.515 2.687 182228 F233HA-CB-HB3 4.107 40.523 2.937 250152 F233HB3-CB-HB2 2.932 40.524 3.306 1091568 ?-?-? 0.925 40.529 2.935 343655 ?-?-? 5.059 40.532 2.690 126815 ?-?-? 4.340 40.574 2.937 114550 N188H-CB-HB3 8.970 40.576 2.486 323724 N188HA-CB-HB2 5.558 40.578 2.687 396081 N188HB2-CB-HB3 2.683 40.586 2.486 2944648 N188HB3-CB-HB2 2.483 40.595 2.686 2579907 ?-?-? 5.066 40.599 2.488 118806 N188HB2-CB-HB2 2.685 40.602 2.687 4233826 N188HD21-CB-HB2 7.305 40.602 2.687 133124 N188H-CB-HB2 8.969 40.611 2.687 401801 N188HA-CB-HB3 5.560 40.614 2.486 509474 A189H-N188CB-HB2 9.125 40.615 2.684 129405 A189H-N188CB-HB3 9.130 40.642 2.486 159094 ?-?-? 0.747 40.646 2.486 283835 N188HB3-CB-HB3 2.483 40.687 2.486 4156035 N188HD21-CB-HB3 7.300 40.696 2.487 114764 I261HB-CB-HB 1.397 41.019 1.397 3798094 I261HA-CB-HB 5.236 41.019 1.397 354146 I261HG2-CB-HB -0.097 41.019 1.397 478792 I261HG13-CB-HB 0.569 41.019 1.397 762740 G262H-I261CB-HB 8.357 41.019 1.397 124891 V258HG1-I261CB-HB 0.833 41.019 1.395 580938 ?-?-? 0.776 41.086 1.395 589267 ?-?-? 0.822 41.465 2.542 167895 I240H-D239CB-HB3 8.831 41.483 2.541 183817 ?-?-? 0.934 41.489 2.543 354292 ?-?-? 1.076 41.490 2.860 245957 ?-?-? 0.933 41.490 2.862 553849 ?-?-? 0.825 41.490 2.859 365114 D239HB2-CB-HB2 2.859 41.495 2.859 35498328 D239HB3-CB-HB2 2.535 41.495 2.859 643705 I240H-D239CB-HB2 8.835 41.495 2.859 110167 D239HA-CB-HB3 4.620 41.513 2.543 316044 D239HB2-CB-HB3 2.854 41.522 2.543 887875 D239HA-CB-HB2 4.620 41.528 2.865 236951 D239H-CB-HB3 8.124 41.533 2.544 248283 Y246HB2-CB-HB2 3.062 41.534 3.062 34953632 Y246HB3-CB-HB3 2.931 41.534 2.931 18594774 Y246HA-CB-HB2 5.088 41.534 3.062 419230 Y246HA-CB-HB3 5.088 41.534 2.931 329036 Y246HB3-CB-HB2 2.931 41.534 3.062 1917255 Y246HD2-CB-HB3 7.007 41.534 2.937 586215 ?-?-? 1.074 41.539 2.544 221512 V247H-Y246CB-HB2 8.554 41.551 3.072 122404 Y246H-CB-HB2 8.074 41.558 3.066 299011 ?-?-? 9.441 41.588 1.953 123700 D239H-CB-HB2 8.122 41.589 2.863 309016 D239HB3-CB-HB3 2.537 41.593 2.547 1104289 Y246H-CB-HB3 8.074 41.597 2.928 359984 N188H-I187CB-HB 8.966 41.600 1.905 491048 I187HA-CB-HB 5.056 41.609 1.907 428372 F200HB2-CB-HB2 3.174 41.617 3.174 3252913 F200HB3-CB-HB3 2.967 41.617 2.967 89088064 F200HA-CB-HB3 5.053 41.617 2.967 546396 F200HB3-CB-HB2 2.967 41.617 3.174 1754022 F200HB2-CB-HB3 3.174 41.617 2.967 1788623 F200H-CB-HB3 8.174 41.617 2.967 112258 F200HD2-CB-HB3 6.933 41.617 2.967 536637 S201H-F200CB-HB3 8.798 41.617 2.975 257453 S201H-F200CB-HB2 8.795 41.617 3.179 253271 I187HB-CB-HB 1.903 41.625 1.903 1826157 I187HG2-CB-HB 0.776 41.625 1.903 712421 I187HD1-CB-HB 0.553 41.625 1.903 525667 I187HG12-CB-HB 1.307 41.625 1.903 194539 I187HG13-CB-HB 1.069 41.625 1.902 230250 Y246HD1-CB-HB2 7.011 41.628 3.070 401569 V247H-Y246CB-HB3 8.562 41.658 2.923 106948 L230H-CB-HB3 7.932 41.670 1.657 331460 F200HA-CB-HB2 5.056 41.677 3.180 504004 ?-?-? 1.090 41.678 1.656 178409 ?-?-? 0.780 41.682 1.657 412638 ?-?-? 0.780 41.682 1.949 333549 ?-?-? 1.086 41.682 1.946 196154 L230HB2-CB-HB3 1.942 41.684 1.657 1779889 L230HB2-CB-HB2 1.936 41.686 1.948 2705398 L230HB3-CB-HB3 1.647 41.686 1.647 4557844 L230H-CB-HB2 7.930 41.686 1.951 502329 L230HA-CB-HB3 4.342 41.686 1.652 421614 L230HD2-CB-HB2 0.898 41.686 1.950 365931 L230HD1-CB-HB2 0.982 41.686 1.949 462953 L230HD1-CB-HB3 0.987 41.686 1.653 455254 L230HD2-CB-HB3 0.895 41.686 1.652 634452 A231H-L230CB-HB3 7.815 41.686 1.657 101723 A231H-L230CB-HB2 7.814 41.686 1.951 117080 ?-?-? 0.680 41.701 3.069 132383 L230HB3-CB-HB2 1.654 41.702 1.950 1478390 D232HB2-CB-HB3 2.959 41.705 2.478 1409788 L230HA-CB-HB2 4.349 41.738 1.950 305035 ?-?-? 9.441 41.752 1.659 99758 ?-?-? 2.010 41.763 3.051 191597 D232HB2-CB-HB2 2.954 41.769 2.954 67634248 D232HB3-CB-HB3 2.476 41.769 2.476 4156035 D232H-CB-HB2 6.997 41.769 2.954 586998 D232HA-CB-HB2 4.798 41.769 2.959 735760 D232HA-CB-HB3 4.796 41.769 2.476 345017 D232HB3-CB-HB2 2.478 41.769 2.960 1469917 D232H-CB-HB3 6.997 41.769 2.476 420150 F233H-D232CB-HB3 7.851 41.769 2.476 95790 F233H-D232CB-HB2 7.853 41.769 2.963 93364 ?-?-? 2.006 41.780 3.119 179367 F200HD1-CB-HB2 6.936 41.798 3.180 468150 ?-?-? 6.467 41.802 1.779 93689 F214HA-CB-HB3 5.247 41.811 3.049 361961 V192HG2-F214CB-HB2 0.874 41.819 3.117 291513 F214H-CB-HB3 9.050 41.823 3.050 432321 ?-?-? 1.205 41.827 3.114 635564 ?-?-? 7.768 41.828 3.114 280152 F214HA-CB-HB2 5.250 41.833 3.116 354595 ?-?-? 7.766 41.834 3.050 280478 F214HB2-CB-HB2 3.108 41.838 3.108 3066014 D217HB2-CB-HB2 3.474 41.838 3.474 595360 F214HB3-CB-HB3 3.046 41.838 3.046 33228646 D217HB3-CB-HB3 3.080 41.838 3.080 25637332 F214H-CB-HB2 9.053 41.838 3.113 394300 D217HA-CB-HB2 5.145 41.838 3.474 307412 D217HA-CB-HB3 5.145 41.838 3.080 416878 D217HB3-CB-HB2 3.080 41.838 3.474 760307 L215H-F214CB-HB3 8.802 41.838 3.046 165198 D218H-D217CB-HB3 8.995 41.838 3.080 332851 L215H-F214CB-HB2 8.802 41.838 3.108 118120 V192HG1-F214CB-HB3 0.960 41.838 3.053 201450 D218H-D217CB-HB2 8.996 41.847 3.474 322103 ?-?-? 0.593 41.847 0.954 250208 ?-?-? 0.587 41.847 1.774 351839 V192HG2-F214CB-HB3 0.881 41.888 3.054 303639 D217HB2-CB-HB3 3.479 41.890 3.076 599007 F214HD1-CB-HB2 7.124 41.904 3.113 158354 F214HD1-CB-HB3 7.119 41.920 3.046 188201 ?-?-? 4.160 41.920 3.063 210713 ?-?-? 0.681 41.923 3.071 148412 L179H-CB-HB2 7.264 41.936 1.781 215041 L179HB2-CB-HB2 1.772 41.939 1.772 970333 L179HB3-CB-HB3 0.956 41.939 0.956 455255 L179HA-CB-HB3 3.595 41.939 0.956 145995 L179HD1-CB-HB2 0.678 41.939 1.779 505153 L179HD1-CB-HB3 0.681 41.939 0.956 365534 L179HB2-CB-HB3 1.772 41.939 0.956 548037 L179H-CB-HB3 7.258 41.939 0.956 129500 L179HD2-CB-HB3 0.240 41.939 0.956 164851 M180H-L179CB-HB3 6.468 41.939 0.956 113738 L179HG-CB-HB3 1.832 41.939 0.956 352320 L179HD2-CB-HB2 0.240 41.951 1.780 151914 L179HB3-CB-HB2 0.956 41.959 1.782 554831 I222HA-CB-HB 4.559 41.979 1.576 357917 I256HB-CB-HB 1.396 41.988 1.396 3798094 I256HA-CB-HB 4.921 41.988 1.396 356982 I256HG2-CB-HB 0.723 41.988 1.396 1015433 I256HD1-CB-HB 0.563 41.988 1.396 1255640 I222HB-CB-HB 1.581 41.997 1.581 4130056 I222HG2-CB-HB 0.507 41.997 1.577 866613 I222HD1-CB-HB 0.581 41.997 1.578 630493 L179HA-CB-HB2 3.593 41.999 1.781 176166 K197HE2-CE-HE2 2.919 42.004 2.919 27519406 K197HE3-CE-HE2 2.739 42.004 2.919 2183076 K197HE2-CE-HE3 2.919 42.004 2.739 1860819 K197HE3-CE-HE3 2.739 42.004 2.739 3540918 K197HG2-CE-HE2 1.328 42.004 2.919 644171 K197HG2-CE-HE3 1.328 42.004 2.739 562968 K197HD2-CE-HE2 1.542 42.004 2.919 740485 K197HD2-CE-HE3 1.542 42.004 2.739 233841 K197HD3-CE-HE3 1.276 42.004 2.739 525008 K197HD3-CE-HE2 1.276 42.004 2.919 547939 ?-?-? 1.773 42.006 2.742 213797 R223H-I222CB-HB 7.512 42.031 1.575 115490 S257H-I256CB-HB 9.293 42.036 1.399 151361 ?-?-? 1.548 42.039 1.829 210559 K266HE2-CE-HE3 2.974 42.046 2.975 144744064 K266HG2-CE-HE3 1.461 42.046 2.975 851057 K266HG3-CE-HE3 1.370 42.046 2.975 844154 K266HD3-CE-HE2 1.656 42.046 2.974 1953760 L226HB2-CB-HB2 1.821 42.053 1.825 699453 L226HB3-CB-HB3 1.098 42.053 1.098 734467 L226HA-CB-HB3 4.467 42.053 1.098 166358 L226HD2-CB-HB2 0.771 42.053 1.828 228244 L226HD1-CB-HB2 0.924 42.053 1.830 381780 L226HD1-CB-HB3 0.922 42.053 1.098 336233 L226HB3-CB-HB2 1.101 42.053 1.829 525099 L226H-CB-HB3 8.804 42.053 1.098 122637 L226HD2-CB-HB3 0.779 42.053 1.098 282826 K211HB3-L226CB-HB3 1.733 42.053 1.099 281762 ?-?-? 3.955 42.060 1.098 174044 ?-?-? 3.959 42.066 1.832 146133 ?-?-? 1.531 42.089 1.100 175259 ?-?-? 1.108 42.093 2.867 327126 ?-?-? 4.547 42.100 1.398 122310 K207HE3-CE-HE2 2.896 42.106 2.896 74667944 K207HG2-CE-HE3 1.437 42.106 2.896 342937 K207HG3-CE-HE3 1.350 42.106 2.896 552055 K207HD2-CE-HE2 1.564 42.106 2.896 1260941 K207HD3-CE-HE2 1.537 42.106 2.896 1247764 K216HE2-CE-HE3 2.857 42.108 2.857 58606348 K237HE2-CE-HE3 3.064 42.108 3.064 59186952 K216HG3-CE-HE2 1.358 42.108 2.857 1248286 K237HG3-CE-HE2 1.263 42.108 3.064 902561 K216HG2-CE-HE3 1.392 42.108 2.857 1088744 K237HG2-CE-HE3 1.442 42.108 3.064 1190798 K216HD2-CE-HE2 1.573 42.108 2.857 1384794 K237HD2-CE-HE2 1.758 42.108 3.064 1392606 K237HD3-CE-HE2 1.672 42.108 3.064 1292222 K216HD3-CE-HE3 1.519 42.108 2.857 1049756 ?-?-? 0.922 42.108 2.963 253806 I256H-CB-HB 9.048 42.118 1.397 238871 L226HB2-CB-HB3 1.822 42.135 1.101 610307 L226HA-CB-HB2 4.480 42.136 1.833 119467 L268HB2-CB-HB2 1.621 42.137 1.621 8957590 L268HB3-CB-HB3 1.549 42.137 1.549 8073706 L268H-CB-HB2 8.433 42.137 1.621 326094 L268HA-CB-HB2 4.286 42.137 1.621 566442 L268HA-CB-HB3 4.286 42.137 1.549 501799 L268HD2-CB-HB2 0.842 42.137 1.621 609131 L268HD1-CB-HB2 0.901 42.137 1.621 663368 L268HD1-CB-HB3 0.901 42.137 1.549 604022 L268HB3-CB-HB2 1.549 42.137 1.621 8296851 L268HB2-CB-HB3 1.621 42.137 1.549 7982528 L268H-CB-HB3 8.433 42.137 1.549 267864 L268HD2-CB-HB3 0.842 42.137 1.549 582346 E269H-L268CB-HB3 8.183 42.137 1.549 116284 E269H-L268CB-HB2 8.183 42.137 1.621 126468 ?-?-? 0.470 42.153 2.991 231519 L226H-CB-HB2 8.808 42.160 1.833 146811 K203HE3-CE-HE2 3.012 42.166 3.012 127905344 K203HG2-CE-HE2 1.546 42.166 3.012 1566549 K203HG3-CE-HE2 1.520 42.166 3.012 1247419 K203HD3-CE-HE2 1.712 42.166 3.012 1452450 ?-?-? 5.496 42.168 1.395 122219 ?-?-? 0.914 42.169 2.864 960325 K175HG3-CE-HE3 1.547 42.170 3.000 1838530 K175HD2-CE-HE2 1.798 42.170 2.999 834090 K175HD3-CE-HE3 1.609 42.170 3.000 865592 K175HE3-CE-HE2 3.000 42.170 2.999 138177008 ?-?-? 4.551 42.171 2.992 186935 K248HE2-CE-HE3 2.975 42.172 2.975 146056896 K248HG2-CE-HE2 1.511 42.172 2.975 1358237 K248HG3-CE-HE2 1.342 42.172 2.975 763323 K248HD3-CE-HE2 1.742 42.172 2.975 2000712 I261H-N260CB-HB3 8.131 42.177 2.597 201295 K198HE2-CE-HE3 2.989 42.182 2.989 149825616 K198HG2-CE-HE2 1.495 42.182 2.989 1838530 K198HD2-CE-HE3 1.712 42.182 2.989 2136864 N260HB2-CB-HB2 2.647 42.212 2.647 8337315 N260HB3-CB-HB3 2.595 42.212 2.595 6207091 N260H-CB-HB2 7.860 42.212 2.647 420219 N260HB3-CB-HB2 2.595 42.212 2.647 7983566 N260HB2-CB-HB3 2.647 42.212 2.595 5940812 ?-?-? 1.583 42.223 1.808 200599 ?-?-? 0.325 42.228 2.994 195349 ?-?-? 3.896 42.234 2.600 131815 N260HA-CB-HB3 4.776 42.257 2.598 501290 ?-?-? 3.696 42.257 2.598 220501 N260HA-CB-HB2 4.776 42.299 2.650 522378 N260H-CB-HB3 7.859 42.301 2.599 205423 ?-?-? 3.701 42.314 2.650 302383 K236HE3-CE-HE3 2.953 42.320 2.953 83672816 K236HG2-CE-HE3 1.418 42.320 2.953 835294 K236HG3-CE-HE3 1.182 42.320 2.953 642068 K236HD3-CE-HE3 1.583 42.320 2.953 2489995 I261H-N260CB-HB2 8.125 42.324 2.649 233925 K211HE2-CE-HE2 3.154 42.329 3.154 7017375 K211HE3-CE-HE2 2.873 42.329 3.154 2448150 K211HE2-CE-HE3 3.154 42.329 2.873 2927704 K211HG2-CE-HE2 1.846 42.329 3.154 376143 K211HG3-CE-HE2 1.210 42.329 3.154 351366 K211HG2-CE-HE3 1.846 42.329 2.873 492118 K211HD2-CE-HE2 1.896 42.329 3.154 398881 K211HD3-CE-HE2 1.718 42.329 3.154 676464 K211HD2-CE-HE3 1.896 42.329 2.873 594975 K211HD3-CE-HE3 1.718 42.329 2.873 606655 K211HE3-CE-HE3 2.873 42.329 2.873 48166616 K211HG3-CE-HE3 1.210 42.329 2.873 274336 N260HD21-CB-HB3 7.637 42.355 2.598 150967 ?-?-? 0.928 42.364 3.156 580680 N260HD21-CB-HB2 7.636 42.372 2.652 187801 ?-?-? 3.896 42.431 2.653 176803 L254HB2-CB-HB2 1.747 42.615 1.753 1699744 E255H-L254CB-HB2 8.803 42.637 1.754 151954 L254HA-CB-HB2 4.638 42.722 1.754 199368 L254H-CB-HB2 8.690 42.734 1.751 295023 L254HB3-CB-HB2 1.146 42.735 1.751 1053335 L254HB3-CB-HB3 1.146 42.773 1.146 1288287 L254HA-CB-HB3 4.641 42.773 1.146 268606 L254HD2-CB-HB2 0.613 42.773 1.750 939707 L254HD1-CB-HB2 0.654 42.773 1.752 764549 L254HD1-CB-HB3 0.652 42.773 1.146 642712 L254HB2-CB-HB3 1.742 42.773 1.146 1190071 L254H-CB-HB3 8.687 42.773 1.146 180770 L254HD2-CB-HB3 0.611 42.773 1.146 969085 E255H-L254CB-HB3 8.803 42.773 1.146 204378 L254HG-CB-HB3 1.678 42.773 1.147 473372 N260H-D259CB-HB3 7.858 42.832 2.658 411156 D259HB3-CB-HB2 2.651 42.875 2.659 12009135 ?-?-? 0.840 42.888 2.658 136036 Y174HD1-CB-HB3 6.921 42.974 2.124 240823 Y174HB2-CB-HB2 3.183 42.984 3.183 3902960 Y174HB3-CB-HB3 2.121 42.984 2.121 585622 Y174HA-CB-HB2 4.761 42.984 3.183 246495 Y174HA-CB-HB3 4.761 42.984 2.121 135334 Y174HD2-CB-HB2 6.917 42.984 3.183 273801 Y174HB3-CB-HB2 2.121 42.984 3.183 557874 K175H-Y174CB-HB2 8.803 42.984 3.186 248768 Y174HB2-CB-HB3 3.183 42.984 2.121 575166 Y174H-CB-HB3 8.825 43.006 2.121 212993 ?-?-? 0.238 43.025 2.122 194436 ?-?-? 0.231 43.026 3.186 230591 D259H-CB-HB2 9.781 43.027 2.662 415412 D259HA-CB-HB3 4.952 43.042 2.662 943124 ?-?-? 4.342 43.050 2.660 142512 ?-?-? 0.776 43.126 2.121 139302 ?-?-? 7.131 43.391 3.077 161858 R202HD3-CD-HD3 3.105 43.392 3.105 13663866 R202HD2-CD-HD2 3.160 43.392 3.160 5954038 R202HB3-CD-HD3 1.963 43.392 3.105 460347 R202HB2-CD-HD2 1.963 43.392 3.160 458912 R202HG3-CD-HD3 1.500 43.392 3.105 819697 R202HG2-CD-HD3 1.657 43.392 3.105 281000 R202HG3-CD-HD2 1.500 43.392 3.160 329290 R202HG2-CD-HD2 1.657 43.392 3.160 320850 R202HE-CD-HD3 7.186 43.392 3.099 95730 R223HD2-CD-HD2 3.080 43.423 3.080 20487580 R223HB3-CD-HD3 1.741 43.423 3.080 533464 R223HB2-CD-HD3 1.875 43.423 3.080 424972 R223HG3-CD-HD3 1.466 43.423 3.080 896755 R223HG2-CD-HD2 1.548 43.423 3.080 1116320 R202HE-CD-HD2 7.188 43.451 3.156 105055 ?-?-? 7.333 43.755 3.084 156103 ?-?-? 8.002 43.810 4.435 691815 G208HA2-CA-HA2 4.424 43.812 4.424 4191588 G208HA3-CA-HA3 3.076 43.812 3.076 14224173 G208H-CA-HA2 8.225 43.812 4.424 242656 G208H-CA-HA3 8.225 43.812 3.076 345695 ?-?-? 4.430 43.817 3.077 1798490 ?-?-? 3.076 43.824 4.432 1963188 ?-?-? 8.000 43.838 3.077 511073 ?-?-? 8.686 43.869 4.416 582331 ?-?-? 3.854 44.011 4.421 2127616 ?-?-? 8.693 44.014 3.859 674337 ?-?-? 4.421 44.021 3.856 2218218 G253H-CA-HA3 7.467 44.039 3.859 379378 G250H-CA-HA3 8.140 44.042 3.874 480742 G250HA2-CA-HA2 4.526 44.045 4.526 3541623 G250HA3-CA-HA3 3.862 44.045 3.862 4303510 G250H-CA-HA2 8.136 44.045 4.526 301853 ?-?-? 4.530 44.051 3.874 2016630 G253HA2-CA-HA2 4.416 44.078 4.416 3870625 G253HA3-CA-HA3 3.843 44.078 3.843 3252469 G253H-CA-HA2 7.466 44.078 4.416 250749 ?-?-? 3.854 44.094 4.533 2605276 G262HA2-CA-HA2 4.529 44.191 4.532 3556990 G224H-CA-HA2 9.053 44.240 5.498 367793 ?-?-? 8.522 44.242 3.034 343905 ?-?-? 0.721 44.244 3.032 497531 ?-?-? 3.031 44.252 5.497 820266 ?-?-? 0.717 44.252 5.497 460364 ?-?-? 8.525 44.260 5.497 306020 G224HA3-CA-HA3 3.031 44.264 3.031 1933679 G224H-CA-HA3 9.053 44.264 3.031 414146 ?-?-? 5.497 44.266 3.032 893642 G224HA2-CA-HA2 5.496 44.286 5.497 824349 G262H-CA-HA3 8.364 44.310 3.812 309763 ?-?-? 4.531 44.317 3.812 1514995 G262HA3-CA-HA3 3.805 44.328 3.805 1884872 G262H-CA-HA2 8.354 44.328 4.533 150314 ?-?-? 9.025 44.335 3.811 559763 ?-?-? 9.026 44.375 4.536 594786 K211H-L210CB-HB3 8.906 44.417 0.784 203078 ?-?-? 0.142 44.417 1.377 191267 ?-?-? 0.139 44.459 0.788 266065 L210HB3-CB-HB3 0.784 44.480 0.785 975721 L210HB2-CB-HB3 1.382 44.481 0.785 997415 L210HD2-CB-HB2 0.478 44.487 1.379 345572 L210HD2-CB-HB3 0.471 44.488 0.787 296512 L210HG-CB-HB3 1.423 44.490 0.786 670084 L210HB2-CB-HB2 1.382 44.492 1.382 4246046 L210HA-CB-HB2 5.239 44.492 1.382 311976 L210HA-CB-HB3 5.239 44.492 0.790 304268 L210HD1-CB-HB2 0.332 44.492 1.382 156248 L210HD1-CB-HB3 0.332 44.492 0.790 233620 K211H-L210CB-HB2 8.902 44.552 1.378 135037 L210HB3-CB-HB2 0.775 44.583 1.379 972863 L215HA-CB-HB3 5.361 44.631 1.142 156416 L215H-CB-HB3 8.807 44.657 1.150 111568 K216H-L215CB-HB3 9.219 44.661 1.142 125463 ?-?-? 1.464 44.663 1.150 142913 L215HA-CB-HB2 5.350 44.689 1.769 124395 L215HD1-CB-HB3 0.639 44.689 1.141 312951 L215HB2-CB-HB3 1.762 44.689 1.141 472972 L215HD2-CB-HB3 0.776 44.689 1.141 260361 K216H-L215CB-HB2 9.212 44.702 1.771 102201 L215HB3-CB-HB2 1.156 44.707 1.767 593766 L215HB3-CB-HB3 1.158 44.714 1.147 652250 L215HB2-CB-HB2 1.763 44.722 1.765 507810 ?-?-? 1.467 44.724 1.768 210096 ?-?-? 0.526 44.726 1.766 251727 ?-?-? 0.525 44.731 1.147 230570 L215HD2-CB-HB2 0.771 44.743 1.767 216153 L215HD1-CB-HB2 0.632 44.754 1.765 344912 G238HA2-CA-HA2 4.482 44.756 4.482 1601310 G238HA3-CA-HA3 3.710 44.756 3.710 3179913 G238H-CA-HA2 9.371 44.756 4.482 399558 G238H-CA-HA3 9.371 44.756 3.710 482596 ?-?-? 4.485 44.770 3.715 1619743 ?-?-? 3.715 44.782 4.488 1680809 L215H-CB-HB2 8.798 44.789 1.767 132097 ?-?-? 6.489 44.895 1.381 128304 ?-?-? 6.465 45.048 1.478 104531 L183HB2-CB-HB2 1.481 45.093 1.481 3991522 L183HB3-CB-HB3 1.384 45.093 1.384 3993726 L183H-CB-HB2 7.161 45.093 1.481 355439 L183HA-CB-HB2 4.535 45.093 1.481 383138 L183HA-CB-HB3 4.535 45.093 1.384 381418 L183HD2-CB-HB2 0.571 45.093 1.481 397880 L183HD1-CB-HB2 0.708 45.093 1.481 427417 L183HD1-CB-HB3 0.708 45.093 1.384 592470 L183HB3-CB-HB2 1.384 45.093 1.481 2351299 L183HB2-CB-HB3 1.481 45.093 1.384 3173492 L183H-CB-HB3 7.161 45.093 1.384 412552 L183HD2-CB-HB3 0.571 45.093 1.384 389920 S184H-L183CB-HB3 8.245 45.093 1.384 203950 S184H-L183CB-HB2 8.245 45.093 1.481 215896 G205H-CA-HA3 8.089 45.287 3.729 741119 ?-?-? 4.348 45.318 3.730 2805450 G205HA2-CA-HA2 4.347 45.321 4.347 3311742 G205HA3-CA-HA3 3.723 45.321 3.723 4019232 G205H-CA-HA2 8.084 45.321 4.347 511947 ?-?-? 3.730 45.337 4.349 2678914 ?-?-? 0.492 45.733 4.089 322811 G220H-CA-HA3 7.675 45.778 4.091 290702 ?-?-? 8.268 45.833 4.095 1047640 G220HA2-CA-HA2 4.086 45.846 4.086 3870442 ?-?-? 4.106 45.905 4.577 1308975 ?-?-? 4.578 45.946 4.106 1287436 ?-?-? 6.926 45.964 4.104 163939 G185HA2-CA-HA2 4.574 45.998 4.574 1449381 G185HA3-CA-HA3 4.107 45.998 4.107 3629854 G185H-CA-HA2 8.559 45.998 4.574 295455 G185H-CA-HA3 8.559 45.998 4.107 190033 ?-?-? 6.799 46.011 4.104 256460 ?-?-? 4.614 46.599 4.343 874709 G245H-CA-HA3 8.807 46.622 4.350 145530 G245HA3-CA-HA3 4.337 46.653 4.337 3311742 V258HA-G245CA-HA3 3.773 46.653 4.343 231458 L213HB2-CB-HB2 1.560 46.681 1.560 1491276 L213HB3-CB-HB3 1.459 46.681 1.459 1004678 L213H-CB-HB2 9.005 46.681 1.560 225737 L213HA-CB-HB2 5.178 46.681 1.560 221457 L213HA-CB-HB3 5.178 46.681 1.459 204791 L213HD2-CB-HB2 0.894 46.681 1.560 256964 L213HD1-CB-HB2 0.751 46.681 1.560 585179 L213HD1-CB-HB3 0.751 46.681 1.459 489622 L213HB3-CB-HB2 1.459 46.681 1.560 1188692 L213HB2-CB-HB3 1.560 46.681 1.459 1062247 L213H-CB-HB3 9.005 46.681 1.459 169033 L213HD2-CB-HB3 0.894 46.681 1.459 250006 F214H-L213CB-HB3 9.053 46.681 1.459 222475 F214H-L213CB-HB2 9.053 46.681 1.560 262753 ?-?-? 9.779 46.693 4.341 219115 ?-?-? 4.600 50.080 5.367 462719 ?-?-? 0.760 50.103 5.363 207713 E242H-A241CA-HA 9.005 50.112 5.367 889535 A241HB-CA-HA 1.079 50.123 5.368 832886 A241HA-CA-HA 5.365 50.124 5.368 1897434 ?-?-? 0.935 50.218 5.366 236199 ?-?-? 4.738 50.224 3.699 542959 ?-?-? 0.613 50.232 3.573 233845 P181HD3-CD-HD3 3.572 50.234 3.572 1322085 P181HD2-CD-HD2 3.695 50.234 3.695 1275456 P181HD2-CD-HD3 3.695 50.234 3.572 1139415 P181HD3-CD-HD2 3.572 50.234 3.695 1039947 P181HB3-CD-HD3 1.870 50.234 3.572 176630 P181HB3-CD-HD2 1.870 50.234 3.695 116410 P181HG3-CD-HD3 1.737 50.234 3.572 448937 P181HG2-CD-HD3 2.145 50.234 3.572 495448 P181HG3-CD-HD2 1.737 50.234 3.695 428238 P181HG2-CD-HD2 2.145 50.234 3.695 453356 ?-?-? 4.736 50.235 3.574 438991 ?-?-? 2.062 50.243 3.693 259853 ?-?-? 2.056 50.243 3.573 347403 ?-?-? 0.616 50.247 3.697 352538 A241H-CA-HA 9.440 50.284 5.367 156197 ?-?-? 3.233 50.573 3.832 319012 P196HB3-CD-HD3 1.899 50.582 3.832 171027 ?-?-? 4.781 50.587 3.833 508877 P196HB3-CD-HD2 1.896 50.612 4.020 121700 P196HG3-CD-HD3 2.102 50.612 3.829 294114 P196HG2-CD-HD3 2.200 50.612 3.829 368490 P196HG3-CD-HD2 2.105 50.612 4.024 316013 P196HG2-CD-HD2 2.202 50.612 4.024 335916 P196HD3-CD-HD2 3.832 50.618 4.024 1108725 ?-?-? 4.781 50.618 4.024 634382 P196HD3-CD-HD3 3.832 50.619 3.833 1346634 P196HD2-CD-HD3 4.022 50.626 3.833 1164600 P196HB2-CD-HD3 2.457 50.638 3.841 107335 P196HD2-CD-HD2 4.023 50.639 4.023 1228341 ?-?-? 3.240 50.644 4.025 233268 ?-?-? 3.023 50.656 3.834 196465 ?-?-? 3.024 50.667 4.023 147529 P196HB2-CD-HD2 2.466 50.813 4.018 99375 A193HA-CA-HA 4.358 52.283 4.358 3825013 A193H-CA-HA 7.767 52.283 4.358 122680 A193HB-CA-HA 1.205 52.283 4.358 1300821 A194H-A193CA-HA 8.497 52.283 4.358 1276513 ?-?-? 1.704 52.432 4.356 260522 N188H-CA-HA 8.990 52.496 5.559 324294 ?-?-? 8.293 52.504 5.276 242583 N188HB2-CA-HA 2.684 52.510 5.561 297587 N188HB3-CA-HA 2.484 52.526 5.559 362478 ?-?-? 1.143 52.527 5.172 222583 A189H-N188CA-HA 9.127 52.533 5.561 958321 N188HA-CA-HA 5.559 52.540 5.561 2470848 ?-?-? 5.074 52.566 5.560 414621 D217HB3-CA-HA 3.077 52.590 5.158 641618 ?-?-? 0.757 52.593 5.561 205863 D217HA-CA-HA 5.154 52.599 5.154 3778669 D217H-CA-HA 8.913 52.599 5.159 401419 D218H-D217CA-HA 9.001 52.599 5.156 628533 D217HB2-CA-HA 3.472 52.600 5.155 531480 ?-?-? 3.839 52.612 5.279 342657 Y174H-N173CA-HA 8.842 52.613 5.276 864203 N173HA-CA-HA 5.274 52.631 5.277 2451538 N173HB3-CA-HA 2.555 52.632 5.275 291060 N173HB2-CA-HA 2.638 52.657 5.275 423449 N188HD21-CA-HA 7.303 52.744 5.558 107054 L213HA-CA-HA 5.178 52.926 5.178 3576722 L213H-CA-HA 9.005 52.926 5.178 712938 L213HB2-CA-HA 1.560 52.926 5.178 250330 L213HB3-CA-HA 1.459 52.926 5.178 374300 L213HD1-CA-HA 0.751 52.926 5.178 144292 L213HD2-CA-HA 0.894 52.926 5.178 584719 F214H-L213CA-HA 9.053 52.926 5.178 1180103 ?-?-? 1.153 52.947 5.180 193031 ?-?-? 4.764 52.981 5.182 494665 D204HB3-CA-HA 2.586 53.146 4.521 1060666 D204HB2-CA-HA 3.114 53.208 4.520 1155430 D204H-CA-HA 7.634 53.321 4.516 404461 G205H-D204CA-HA 8.084 53.321 4.516 226176 D204HA-CA-HA 4.518 53.341 4.522 7696342 L226HB3-CA-HA 1.078 53.421 4.474 329824 L226HA-CA-HA 4.467 53.468 4.467 1730769 L226HD1-CA-HA 0.916 53.468 4.471 150712 L226HD2-CA-HA 0.776 53.468 4.472 701021 W227H-L226CA-HA 9.443 53.498 4.472 692319 L215HB2-CA-HA 1.768 53.547 5.360 219696 L215HG-CA-HA 1.453 53.626 5.358 254296 K216H-L215CA-HA 9.207 53.659 5.359 743846 L215HD1-CA-HA 0.642 53.669 5.356 214155 ?-?-? 4.164 53.669 5.361 308420 L215HA-CA-HA 5.357 53.680 5.358 1702543 V258HB-L226CA-HA 2.158 53.682 4.476 144487 ?-?-? 1.105 53.690 3.956 276254 L215HB3-CA-HA 1.160 53.692 5.355 407654 L215HD2-CA-HA 0.778 53.707 5.360 606275 A231HB-CA-HA 1.215 53.722 3.955 962624 D232H-A231CA-HA 6.997 53.722 3.955 130500 ?-?-? 1.798 53.722 3.958 513211 ?-?-? 1.741 53.722 3.961 488322 L215H-CA-HA 8.818 53.753 5.360 189597 A231HA-CA-HA 3.958 53.754 3.959 2471741 A231H-CA-HA 7.818 53.759 3.960 320906 ?-?-? 0.923 53.759 3.958 320426 ?-?-? 8.919 53.871 3.957 108842 K175HA-CA-HA 4.550 53.898 4.550 6696198 K175HB2-CA-HA 2.407 53.898 4.550 238031 K175HG3-CA-HA 1.547 53.898 4.550 591968 K175HD2-CA-HA 1.798 53.898 4.550 344239 K175HD3-CA-HA 1.609 53.898 4.550 488956 Q209H-CA-HA 7.998 53.967 5.598 174259 ?-?-? 1.373 53.989 5.600 118870 Q209HG3-CA-HA 1.630 54.016 5.599 408811 ?-?-? 5.152 54.035 5.600 582261 Q209HB2-CA-HA 2.446 54.040 5.597 98515 Q209HB3-CA-HA 2.225 54.040 5.598 484969 Q209HG2-CA-HA 2.301 54.040 5.596 211158 Q209HA-CA-HA 5.598 54.042 5.599 2095407 L210H-Q209CA-HA 9.060 54.053 5.599 773886 ?-?-? 8.183 54.077 5.597 250288 ?-?-? 6.933 54.192 5.599 135621 ?-?-? 5.037 54.283 5.247 246277 ?-?-? 0.144 54.289 5.233 127554 E255HA-CA-HA 5.086 54.322 5.086 3252941 E255H-CA-HA 8.803 54.322 5.086 265798 E255HB2-CA-HA 1.903 54.322 5.086 568392 E255HB3-CA-HA 1.741 54.322 5.086 676734 E255HG2-CA-HA 2.031 54.322 5.086 291211 E255HG3-CA-HA 1.983 54.322 5.086 373418 I256H-E255CA-HA 9.042 54.322 5.086 966382 L210HB3-CA-HA 0.786 54.379 5.242 407634 S184H-L183CA-HA 8.250 54.379 4.540 1314288 L210HA-CA-HA 5.239 54.402 5.244 1752923 L210HD1-CA-HA 0.332 54.402 5.239 126267 L210HD2-CA-HA 0.472 54.402 5.239 108329 K211H-L210CA-HA 8.900 54.402 5.243 618031 L183HA-CA-HA 4.535 54.404 4.535 6157844 L183HB2-CA-HA 1.481 54.404 4.535 493584 L183HB3-CA-HA 1.384 54.404 4.535 268572 L183HD1-CA-HA 0.708 54.404 4.535 326822 L183HD2-CA-HA 0.571 54.404 4.535 282614 L210HB2-CA-HA 1.381 54.423 5.242 525502 ?-?-? 1.211 54.451 5.247 428933 N173H-M172CA-HA 8.468 54.736 4.021 295975 M172HA-CA-HA 4.020 54.762 4.021 4881085 M172HB2-CA-HA 2.052 54.771 4.017 446794 M172HB3-CA-HA 1.985 54.771 4.017 262545 M172HG2-CA-HA 2.451 54.771 4.022 127825 M172HG3-CA-HA 2.170 54.771 4.017 165525 ?-?-? 6.760 54.845 4.206 219444 N182HA-CA-HA 4.203 54.925 4.203 3294134 N182H-CA-HA 8.810 54.925 4.203 936352 N182HB2-CA-HA 3.181 54.925 4.203 611050 N182HB3-CA-HA 3.117 54.925 4.203 733108 ?-?-? 3.754 54.948 4.209 185596 L183H-N182CA-HA 7.161 55.003 4.206 310056 N228HA-CA-HA 4.539 55.159 4.539 10850201 N228H-CA-HA 9.413 55.159 4.539 739651 N228HB2-CA-HA 3.308 55.159 4.539 357945 N228HB3-CA-HA 3.065 55.159 4.539 735141 E229H-N228CA-HA 10.032 55.159 4.539 207201 E199HA-CA-HA 5.152 55.177 5.155 3403731 E199H-CA-HA 8.547 55.179 5.151 365879 E199HB2-CA-HA 2.020 55.179 5.151 834697 E199HG2-CA-HA 2.294 55.179 5.151 323656 E199HG3-CA-HA 2.243 55.179 5.151 628966 F200H-E199CA-HA 8.174 55.179 5.151 1194063 ?-?-? 5.598 55.180 5.154 644218 E242HA-CA-HA 5.076 55.278 5.076 3114295 E242H-CA-HA 8.997 55.278 5.082 982508 E242HB2-CA-HA 1.905 55.278 5.076 496584 E242HB3-CA-HA 1.806 55.278 5.076 299012 E242HG2-CA-HA 2.043 55.278 5.076 289322 E242HG3-CA-HA 1.902 55.278 5.076 457340 V243H-E242CA-HA 9.012 55.278 5.084 982508 N188HA-E242CA-HA 5.550 55.331 5.086 343914 ?-?-? 0.576 55.408 3.597 360867 L179HA-CA-HA 3.595 55.412 3.595 1937278 L179H-CA-HA 7.258 55.412 3.595 186299 L179HB2-CA-HA 1.772 55.412 3.595 310463 L179HB3-CA-HA 0.956 55.412 3.595 302893 L179HG-CA-HA 1.839 55.412 3.595 222064 L179HD2-CA-HA 0.240 55.412 3.595 632826 M180H-L179CA-HA 6.468 55.412 3.595 763451 L179HD1-CA-HA 0.701 55.414 3.596 370445 ?-?-? 3.679 55.485 5.250 211853 K216HB2-CA-HA 1.795 55.510 5.252 349191 ?-?-? 5.665 55.569 5.253 590034 ?-?-? 0.660 55.573 5.254 373521 L268H-CA-HA 8.434 55.622 4.290 425105 K216HA-CA-HA 5.252 55.625 5.253 1653196 K216H-CA-HA 9.224 55.625 5.249 195500 K216HB3-CA-HA 1.602 55.625 5.255 325451 K216HG3-CA-HA 1.353 55.625 5.255 197904 K216HD2-CA-HA 1.575 55.625 5.257 270097 D217H-K216CA-HA 8.910 55.625 5.252 697399 L268HA-CA-HA 4.286 55.657 4.286 17427042 L268HB2-CA-HA 1.621 55.657 4.286 1029845 L268HB3-CA-HA 1.549 55.657 4.286 1076275 L268HD1-CA-HA 0.901 55.657 4.286 453836 L268HD2-CA-HA 0.842 55.657 4.286 1092150 E269H-L268CA-HA 8.183 55.657 4.291 941454 D218HB2-CA-HA 2.798 55.751 4.506 1952741 D218HA-CA-HA 4.503 55.822 4.503 7015532 D218H-CA-HA 8.995 55.822 4.503 414291 T219H-D218CA-HA 9.629 55.822 4.503 201601 S244HB3-CA-HA 3.697 55.909 5.944 206301 S244HB2-CA-HA 3.890 55.934 5.944 285464 G245H-S244CA-HA 8.815 55.934 5.941 628448 S244H-CA-HA 8.889 55.945 5.941 211780 ?-?-? 1.081 55.945 5.944 180570 ?-?-? 5.537 55.947 5.943 558870 S244HA-CA-HA 5.941 55.955 5.942 1414993 ?-?-? 9.271 56.018 5.941 193425 E178HA-CA-HA 4.254 56.032 4.254 6344526 E178H-CA-HA 7.788 56.032 4.259 265385 E178HB2-CA-HA 2.486 56.032 4.254 292143 E178HB3-CA-HA 2.242 56.032 4.254 1036995 E178HG2-CA-HA 2.276 56.032 4.254 1238355 L179H-E178CA-HA 7.261 56.032 4.261 155652 ?-?-? 0.925 56.036 4.424 268008 E265HA-CA-HA 4.422 56.065 4.422 7444457 E265H-CA-HA 8.145 56.065 4.428 350962 E265HB2-CA-HA 1.988 56.065 4.422 529032 E265HB3-CA-HA 1.911 56.065 4.422 666844 E265HG2-CA-HA 2.234 56.065 4.422 393222 K266H-E265CA-HA 8.632 56.065 4.422 1366011 ?-?-? 0.819 56.065 4.424 186985 F200HB2-CA-HA 3.177 56.070 5.059 910706 F200HA-CA-HA 5.053 56.071 5.053 5500484 F200H-CA-HA 8.174 56.071 5.053 371595 S201H-F200CA-HA 8.804 56.071 5.055 1088633 Q249HA-CA-HA 4.307 56.109 4.307 9720924 Q249H-CA-HA 8.833 56.109 4.307 400970 Q249HB2-CA-HA 2.074 56.109 4.307 307768 Q249HB3-CA-HA 1.854 56.109 4.307 479975 Q249HG2-CA-HA 2.335 56.109 4.307 128225 Q249HG3-CA-HA 2.240 56.109 4.307 225231 G250H-Q249CA-HA 8.147 56.109 4.305 1244758 ?-?-? 0.607 56.117 4.303 618469 F233HB2-L230CA-HA 3.307 56.165 4.351 214690 L230HA-CA-HA 4.339 56.194 4.339 11095418 L230H-CA-HA 7.931 56.194 4.347 417655 L230HB2-CA-HA 1.941 56.194 4.339 511078 L230HB3-CA-HA 1.647 56.194 4.339 872809 L230HG-CA-HA 1.899 56.194 4.339 536273 L230HD1-CA-HA 0.973 56.194 4.344 571862 L230HD2-CA-HA 0.892 56.194 4.347 973000 A231H-L230CA-HA 7.812 56.194 4.345 241865 F200HB3-CA-HA 2.967 56.210 5.062 837441 ?-?-? 7.011 56.236 4.352 259324 K266HA-CA-HA 4.344 56.276 4.344 11011897 K266H-CA-HA 8.632 56.276 4.344 347326 K266HB2-CA-HA 1.818 56.276 4.344 603036 K266HB3-CA-HA 1.706 56.276 4.344 916365 K266HG2-CA-HA 1.461 56.276 4.344 299619 K266HG3-CA-HA 1.370 56.276 4.344 388920 K266HD2-CA-HA 1.656 56.276 4.344 875547 K266HD3-CA-HA 1.656 56.276 4.344 875547 K266HE2-CA-HA 2.960 56.276 4.345 199098 S267H-K266CA-HA 8.896 56.276 4.344 906778 S184H-CA-HA 8.248 56.379 5.551 207745 G185H-S184CA-HA 8.563 56.398 5.551 1007530 S184HA-CA-HA 5.550 56.411 5.552 2495903 S184HB2-CA-HA 3.764 56.434 5.548 444111 S184HB3-CA-HA 3.705 56.434 5.548 387188 ?-?-? 5.089 56.462 5.551 515990 ?-?-? 0.956 56.658 4.171 211951 V235H-E234CA-HA 7.492 56.706 4.171 1776085 S221H-CA-HA 8.257 56.723 5.665 126702 ?-?-? 8.913 56.733 5.663 204976 E234HA-CA-HA 4.166 56.734 4.166 6775422 E234HB2-CA-HA 1.745 56.734 4.171 752886 E234HB3-CA-HA 1.683 56.734 4.171 665776 E234HG2-CA-HA 2.081 56.734 4.171 500415 E234HG3-CA-HA 2.065 56.734 4.171 440666 E234H-CA-HA 7.926 56.741 4.172 369880 ?-?-? 5.549 56.742 5.090 492087 ?-?-? 1.583 56.777 5.662 178087 ?-?-? 0.502 56.787 5.664 254851 Y246HA-CA-HA 5.088 56.788 5.088 1775950 Y246HB2-CA-HA 3.062 56.788 5.088 176067 Y246HB3-CA-HA 2.931 56.788 5.088 279932 Y246HD1-CA-HA 6.992 56.788 5.088 221112 V247H-Y246CA-HA 8.558 56.788 5.088 613237 S221HB2-CA-HA 3.677 56.799 5.664 622226 S221HA-CA-HA 5.663 56.800 5.664 1607554 I222H-S221CA-HA 9.232 56.813 5.664 683742 ?-?-? 0.660 56.825 5.663 396207 ?-?-? 5.253 56.838 5.664 675128 ?-?-? 1.782 56.902 5.662 167703 E269HA-CA-HA 4.133 56.919 4.133 16756806 E269HB2-CA-HA 1.894 56.919 4.133 1199921 E269HB3-CA-HA 1.857 56.919 4.133 1079820 E269HG2-CA-HA 2.200 56.919 4.133 370433 E269HG3-CA-HA 2.123 56.919 4.133 533899 E269H-CA-HA 8.197 57.101 4.132 380836 K198H-K197CA-HA 9.242 57.118 4.577 925887 S252HB2-CA-HA 3.774 57.221 4.556 1688860 S252HA-CA-HA 4.550 57.288 4.550 11335758 S252H-CA-HA 8.488 57.288 4.550 117913 ?-?-? 4.926 57.290 5.261 216069 K197HA-CA-HA 4.570 57.293 4.570 10282076 K197HB3-CA-HA 1.753 57.293 4.575 1007704 K197HG2-CA-HA 1.328 57.293 4.570 280531 K197HG3-CA-HA 1.328 57.293 4.570 280531 K197HD3-CA-HA 1.276 57.293 4.570 296814 L215H-F214CA-HA 8.802 57.404 5.258 878631 F214HA-CA-HA 5.255 57.407 5.258 2311138 F214HB2-CA-HA 3.108 57.407 5.253 332592 F214HB3-CA-HA 3.046 57.407 5.253 378711 F214H-CA-HA 9.057 57.409 5.262 353830 ?-?-? 1.784 57.475 5.261 211661 F214HD1-CA-HA 7.122 57.570 5.255 250543 ?-?-? 1.110 58.139 3.755 105028 ?-?-? 8.129 58.153 3.751 123467 ?-?-? 0.690 58.170 3.754 579398 K237HA-CA-HA 3.751 58.171 3.751 2249465 K237HB2-CA-HA 1.706 58.171 3.751 592134 K237HB3-CA-HA 1.655 58.171 3.751 409608 K237HG2-CA-HA 1.442 58.171 3.751 309005 K237HD2-CA-HA 1.758 58.171 3.751 375699 K237HD3-CA-HA 1.672 58.171 3.751 541357 K237H-CA-HA 8.380 58.171 3.751 273767 G238H-K237CA-HA 9.377 58.186 3.753 950506 ?-?-? 2.422 58.206 3.756 196267 ?-?-? 0.820 58.215 3.755 136923 K237HG3-CA-HA 1.260 58.250 3.754 223315 ?-?-? 4.626 58.457 5.096 373720 S212HA-CA-HA 5.088 58.525 5.088 2684427 S212H-CA-HA 8.988 58.525 5.088 1276308 S212HB2-CA-HA 3.732 58.525 5.095 365405 S212HB3-CA-HA 3.583 58.525 5.093 200782 L213H-S212CA-HA 9.005 58.525 5.088 1276308 ?-?-? 0.784 58.554 5.240 273483 G262H-I261CA-HA 8.360 58.590 5.240 698119 V243HA-I261CA-HA 4.692 58.593 5.246 263560 I261HA-CA-HA 5.241 58.599 5.243 1777947 I261HB-CA-HA 1.397 58.599 5.241 632251 I261HD1-CA-HA 0.571 58.599 5.244 438585 I261HG12-CA-HA 1.444 58.599 5.241 530628 I261HG2-CA-HA -0.101 58.643 5.242 232641 S267HA-CA-HA 4.311 58.696 4.311 9941544 S267HB2-CA-HA 3.930 58.696 4.311 892169 S267HB3-CA-HA 3.806 58.696 4.311 671470 S267H-CA-HA 8.893 58.717 4.313 392867 L268H-S267CA-HA 8.438 58.724 4.312 1105343 ?-?-? 1.633 58.768 4.314 242237 I187HA-CA-HA 5.055 59.046 5.055 2845137 I187H-CA-HA 9.269 59.046 5.055 293278 I187HB-CA-HA 1.903 59.046 5.055 418866 I187HG2-CA-HA 0.776 59.046 5.055 622661 I187HD1-CA-HA 0.553 59.046 5.055 137092 I187HG12-CA-HA 1.307 59.046 5.055 87788 I187HG13-CA-HA 1.064 59.046 5.056 307843 N188H-I187CA-HA 8.962 59.046 5.055 895960 K203HB2-CA-HA 1.894 59.083 4.095 1701668 K203HA-CA-HA 4.095 59.147 4.095 14936307 K203HG2-CA-HA 1.546 59.147 4.095 440040 K203HG3-CA-HA 1.520 59.147 4.095 376432 K203HD2-CA-HA 1.712 59.147 4.095 378519 D204H-K203CA-HA 7.634 59.147 4.095 152280 K203H-CA-HA 8.909 59.199 4.095 128893 V235HB-CA-HA 2.174 59.362 4.557 661030 V235HA-CA-HA 4.550 59.449 4.550 2784246 V235H-CA-HA 7.504 59.449 4.555 317100 V235HG2-CA-HA 1.082 59.449 4.554 907051 V235HG1-CA-HA 0.952 59.449 4.554 453439 K236H-V235CA-HA 9.124 59.449 4.556 1255776 F233HD1-CA-HA 7.022 59.808 4.104 364811 F233HB3-CA-HA 2.935 59.816 4.105 344113 F233HB2-CA-HA 3.304 59.840 4.103 439340 F233HA-CA-HA 4.099 59.847 4.099 15039228 F233H-CA-HA 7.851 59.847 4.099 558037 E234H-F233CA-HA 7.929 59.847 4.099 1513246 S177HA-CA-HA 4.087 60.449 4.087 5023916 S177H-CA-HA 8.986 60.449 4.087 315614 S177HB3-CA-HA 3.731 60.449 4.087 563597 E178H-S177CA-HA 7.790 60.449 4.087 126371 I176HG2-S177CA-HA 0.493 60.595 4.088 134217 E229HG2-CA-HA 2.509 60.610 4.230 735515 E229HB2-CA-HA 2.205 60.613 4.230 1346431 E229H-CA-HA 10.031 60.621 4.229 326999 ?-?-? 7.282 60.623 4.232 170794 E229HA-CA-HA 4.225 60.654 4.225 6076609 L230H-E229CA-HA 7.931 60.654 4.225 187477 ?-?-? 7.009 60.683 4.232 215866 Y251HA-CA-HA 4.310 60.703 4.310 8693860 Y251H-CA-HA 8.725 60.703 4.310 93198 Y251HB2-CA-HA 3.071 60.703 4.310 1292966 Y251HB3-CA-HA 3.035 60.703 4.310 1299839 Y251HD2-CA-HA 7.166 60.760 4.311 529229 I264HA-CA-HA 4.181 61.196 4.181 5931688 I264H-CA-HA 9.047 61.196 4.181 365477 I264HB-CA-HA 1.690 61.196 4.181 409346 I264HG2-CA-HA 0.869 61.196 4.181 854947 I264HD1-CA-HA 0.730 61.196 4.181 332036 I264HG12-CA-HA 1.394 61.196 4.181 217679 I264HG13-CA-HA 1.095 61.196 4.181 327462 E265H-I264CA-HA 8.137 61.196 4.181 754353 I222HA-CA-HA 4.556 61.205 4.556 2944959 I222H-CA-HA 9.231 61.205 4.556 208862 I222HB-CA-HA 1.581 61.205 4.556 943994 I222HG2-CA-HA 0.508 61.205 4.556 599177 I222HD1-CA-HA 0.581 61.205 4.556 630171 I222HG12-CA-HA 1.586 61.205 4.556 943994 I222HG13-CA-HA 1.476 61.205 4.556 515140 R223H-I222CA-HA 7.513 61.205 4.556 769292 ?-?-? 0.769 61.669 5.538 154072 T186HB-CA-HA 3.855 61.711 5.539 181337 ?-?-? 5.941 61.733 5.540 541799 T186HA-CA-HA 5.536 61.739 5.536 1323948 T186HG2-CA-HA 1.078 61.739 5.536 516764 I187H-T186CA-HA 9.270 61.742 5.539 599463 T186H-CA-HA 8.300 61.749 5.537 86110 ?-?-? 8.824 61.774 5.538 205247 ?-?-? 1.705 61.945 4.389 241966 V247HA-CA-HA 4.535 62.060 4.535 2269055 V247H-CA-HA 8.558 62.060 4.535 380859 V247HB-CA-HA 2.185 62.060 4.535 119181 V247HG2-CA-HA 0.759 62.060 4.535 343466 V247HG1-CA-HA 0.580 62.060 4.535 497505 K248H-V247CA-HA 9.098 62.060 4.535 757988 T206HG2-CA-HA 1.180 62.065 4.388 1121618 T206HA-CA-HA 4.384 62.077 4.384 6586298 T206HB-CA-HA 4.261 62.077 4.384 917179 K207H-T206CA-HA 8.423 62.080 4.389 1677198 T206H-CA-HA 8.015 62.107 4.390 338999 S177HB3-CB-HB3 3.731 62.537 3.731 3962912 S177H-CB-HB2 8.986 62.537 4.072 220250 S177HB3-CB-HB2 3.731 62.537 4.072 893594 S177H-CB-HB3 8.986 62.537 3.731 186115 S177HB2-CB-HB3 4.079 62.562 3.733 1295345 S177HB2-CB-HB2 4.079 62.601 4.075 1904715 ?-?-? 4.358 62.624 4.072 339639 ?-?-? 4.361 62.704 3.735 374296 P196HG2-CA-HA 2.205 62.781 4.511 190936 P196HG3-CA-HA 2.114 62.781 4.511 165906 P196HA-CA-HA 4.512 62.790 4.512 3988071 P196HB2-CA-HA 2.460 62.818 4.511 679277 P196HB3-CA-HA 1.888 62.818 4.510 641245 ?-?-? 2.948 62.826 3.916 157170 K197H-P196CA-HA 8.728 62.844 4.510 1240511 L215HA-V191CA-HA 5.364 62.867 4.168 248048 ?-?-? 1.753 62.890 3.918 154333 V191H-CA-HA 9.261 62.905 4.170 614884 V191HG2-CA-HA 0.821 62.905 4.170 794504 V191HG1-CA-HA 0.692 62.905 4.170 584913 V192H-V191CA-HA 9.145 62.905 4.170 836563 L215HD2-V191CA-HA 0.776 62.905 4.170 723685 ?-?-? 2.933 62.915 4.182 153356 S257H-CB-HB3 9.295 62.919 3.917 478150 S257HB3-CB-HB2 3.916 62.923 4.178 2207275 V258H-S257CB-HB3 8.553 62.926 3.917 160580 S257HA-CB-HB2 4.892 62.929 4.178 361967 S257HA-CB-HB3 4.898 62.939 3.917 479809 ?-?-? 1.756 62.942 4.176 110479 S257HB2-CB-HB2 4.172 62.971 4.172 6368952 S257HB3-CB-HB3 3.913 62.971 3.913 5558850 S257H-CB-HB2 9.290 62.971 4.172 580018 S257HB2-CB-HB3 4.172 62.971 3.913 2048334 V258H-S257CB-HB2 8.553 62.971 4.172 129319 ?-?-? 8.081 63.118 3.917 104153 ?-?-? 8.078 63.143 4.175 144667 A193H-V192CA-HA 7.770 63.271 4.159 311966 P181HB3-CA-HA 1.861 63.540 3.754 417774 P181HG3-CA-HA 1.753 63.567 3.753 229825 P181HB2-CA-HA 2.157 63.579 3.754 728822 ?-?-? 0.586 63.586 3.755 620081 K248HA-P181CA-HA 4.741 63.586 3.761 256363 V192HA-CA-HA 4.149 63.590 4.149 8322566 V192H-CA-HA 9.147 63.590 4.154 610954 V192HG2-CA-HA 0.871 63.590 4.149 945321 V192HG1-CA-HA 0.959 63.590 4.149 717362 V192HB-CA-HA 2.006 63.627 4.152 528801 ?-?-? 1.447 63.629 4.153 281017 S252HA-CB-HB3 4.553 63.653 3.775 1373285 S252H-CB-HB2 8.505 63.669 3.770 192722 S252HB3-CB-HB2 3.771 63.680 3.771 29896778 N182H-P181CA-HA 8.808 63.695 3.757 1000843 ?-?-? 7.160 63.733 3.765 258763 S267HB2-CB-HB2 3.930 63.785 3.930 8291278 S267HB3-CB-HB3 3.806 63.785 3.806 13954460 S267H-CB-HB2 8.896 63.785 3.930 328458 S267HA-CB-HB2 4.311 63.785 3.930 908145 S267HA-CB-HB3 4.311 63.785 3.806 809317 S267HB3-CB-HB2 3.806 63.785 3.930 4439566 S267HB2-CB-HB3 3.930 63.785 3.806 4006950 S267H-CB-HB3 8.896 63.785 3.806 388637 L268H-S267CB-HB3 8.433 63.785 3.806 166772 L268H-S267CB-HB2 8.433 63.785 3.930 185312 ?-?-? 4.781 63.791 3.777 312316 ?-?-? 7.098 64.359 3.590 254618 ?-?-? 3.030 64.379 3.590 203169 ?-?-? 7.099 64.398 3.730 233907 S212HA-CB-HB3 5.091 64.408 3.591 371318 S212HB2-CB-HB3 3.727 64.408 3.590 2387946 ?-?-? 0.325 64.418 3.593 115486 S212HB3-CB-HB3 3.588 64.421 3.590 3916698 S201HB2-CB-HB2 3.837 64.459 3.837 9329161 S201HB3-CB-HB3 3.767 64.459 3.767 23566768 S201H-CB-HB2 8.793 64.459 3.837 365672 S201HA-CB-HB2 4.938 64.459 3.837 582228 S201HA-CB-HB3 4.938 64.459 3.767 600882 S201HB3-CB-HB2 3.767 64.459 3.837 9210784 S201HB2-CB-HB3 3.837 64.459 3.767 12109449 S201H-CB-HB3 8.793 64.459 3.767 599573 R202H-S201CB-HB3 8.913 64.459 3.767 185821 R202H-S201CB-HB2 8.913 64.459 3.837 225453 ?-?-? 3.042 64.462 3.727 169466 S212HB2-CB-HB2 3.718 64.486 3.718 10854528 S212H-CB-HB2 8.987 64.486 3.729 600667 S212HA-CB-HB2 5.085 64.486 3.727 519270 S212HB3-CB-HB2 3.586 64.486 3.718 1584651 S212H-CB-HB3 8.988 64.486 3.586 637809 L213H-S212CB-HB3 9.005 64.486 3.586 637809 L213H-S212CB-HB2 9.008 64.486 3.729 600667 S184H-CB-HB3 8.249 64.752 3.712 388616 G185H-S184CB-HB3 8.561 64.755 3.713 256167 ?-?-? 7.009 64.786 3.774 166453 S184H-CB-HB2 8.247 64.812 3.770 413495 S184HA-CB-HB3 5.547 64.837 3.710 512820 S184HA-CB-HB2 5.549 64.865 3.772 503916 ?-?-? 5.083 64.872 3.770 257343 ?-?-? 7.010 64.881 3.712 114178 S184HB2-CB-HB2 3.767 64.900 3.767 15802960 S184HB3-CB-HB3 3.705 64.900 3.705 8307964 G185H-S184CB-HB2 8.560 64.984 3.775 409953 ?-?-? 0.572 65.026 3.777 167915 ?-?-? 7.856 65.155 3.786 206940 V258HG2-CA-HA 0.730 65.215 3.781 722733 V258HG1-CA-HA 0.816 65.216 3.782 571900 ?-?-? 5.536 65.266 3.893 163375 S244HB2-CB-HB3 3.894 65.285 3.698 1929797 V258HA-CA-HA 3.786 65.296 3.786 8672315 V258H-CA-HA 8.553 65.296 3.786 366159 V258HB-CA-HA 2.157 65.296 3.786 149666 D259H-V258CA-HA 9.780 65.296 3.786 635181 G245HA2-V258CA-HA 4.613 65.296 3.781 255096 G245HA3-V258CA-HA 4.340 65.296 3.780 195265 S244HB3-CB-HB2 3.702 65.299 3.896 2013702 S244HA-CB-HB2 5.939 65.309 3.896 373902 ?-?-? 0.800 65.319 3.899 117401 ?-?-? 5.528 65.357 3.692 188398 S244HB2-CB-HB2 3.891 65.366 3.891 4080439 S244HB3-CB-HB3 3.692 65.366 3.692 6310260 S244H-CB-HB2 8.887 65.366 3.891 240996 S244HA-CB-HB3 5.937 65.366 3.692 207241 S244H-CB-HB3 8.887 65.366 3.692 218723 G245H-S244CB-HB3 8.809 65.366 3.692 165045 G245H-S244CB-HB2 8.809 65.366 3.891 250771 ?-?-? 2.620 65.371 3.896 365621 ?-?-? 7.859 65.373 3.698 142950 ?-?-? 2.619 65.374 3.698 514050 ?-?-? 7.862 65.420 3.895 117512 ?-?-? 1.085 65.425 3.899 106844 L179H-I176CA-HA 7.265 66.817 3.314 108265 ?-?-? 1.834 66.828 3.310 399515 I176HD1-CA-HA 0.672 66.835 3.311 701374 I176HA-CA-HA 3.310 66.837 3.312 1625264 I176HB-CA-HA 1.638 66.840 3.311 271034 I176HG2-CA-HA 0.490 66.840 3.311 599800 I176HG12-CA-HA 1.705 66.840 3.310 301422 I176HG13-CA-HA 0.553 66.840 3.311 546151 I176H-CA-HA 10.389 66.867 3.312 179589 ?-?-? 0.657 66.890 3.682 149763 ?-?-? 0.233 66.902 3.316 142351 ?-?-? 7.274 66.961 3.676 263700 S221HA-CB-HB2 5.661 66.974 3.681 745443 ?-?-? 5.251 66.983 3.679 276540 I222H-S221CB-HB3 9.231 66.987 3.679 502918 ?-?-? 0.499 66.991 3.681 186338 S221H-CB-HB2 8.259 67.000 3.675 274975 S221HB3-CB-HB3 3.675 67.002 3.678 12024696 ?-?-? 1.363 67.016 3.682 183149 ?-?-? 1.581 67.017 3.682 268476 ?-?-? 1.783 67.026 3.683 235733 ?-?-? 4.081 70.446 4.366 285421 ?-?-? 9.981 70.550 3.674 277698 ?-?-? 8.975 70.596 4.369 179218 T219HG2-CB-HB 1.142 70.602 4.368 843941 T219HB-CB-HB 4.366 70.604 4.366 1422234 ?-?-? 4.876 70.611 3.673 198507 ?-?-? 3.732 70.622 4.369 327305 T219H-CB-HB 9.640 70.642 4.365 148656 T219HA-CB-HB 4.655 70.642 4.363 663949 T225H-CB-HB 8.530 70.678 3.673 452755 T225HB-CB-HB 3.673 70.681 3.673 3329930 T225HA-CB-HB 4.629 70.681 3.673 273534 T225HG2-CB-HB 0.145 70.681 3.673 998272 L226H-T225CB-HB 8.804 70.681 3.673 95445 ?-?-? 0.750 70.710 3.672 106238 ?-?-? 0.327 70.737 3.670 148866 ?-?-? 7.385 70.769 3.674 133897 T206HB-CB-HB 4.261 70.956 4.261 4349859 T206HA-CB-HB 4.384 70.956 4.261 915556 T206HG2-CB-HB 1.178 70.956 4.261 1525944 K207H-T206CB-HB 8.420 70.956 4.261 913762 ?-?-? 5.277 71.667 3.839 326986 T186HB-CB-HB 3.835 71.682 3.835 2740361 T186HG2-CB-HB 1.078 71.682 3.835 922355 T186H-CB-HB 8.297 71.685 3.839 455786 T186HA-CB-HB 5.537 71.854 3.838 153251 # Halpha-Halpha NOESY peaks from simultaneous CN-NOESY in D2O # not included in the structure calculations or RPF scores V258HA-G245CA-HA2 3.786 46.471 4.624 444497 Halpha-Halpha V258HA-G245CA-HA3 3.773 46.653 4.349 3522154 Halpha-Halpha I263HA-A241CA-HA 4.599 50.036 5.375 1115200 Halpha-Halpha L213HA-A194CA-HA 5.192 51.058 4.772 1233083 Halpha-Halpha E242HA-N188CA-HA 5.083 52.424 5.568 1252603 Halpha-Halpha A194HA-L213CA-HA 4.770 52.855 5.190 1300005 Halpha-Halpha V191HA-L215CA-HA 4.171 53.590 5.363 559706 Halpha-Halpha E199HA-Q209CA-HA 5.164 53.933 5.608 1660168 Halpha-Halpha W227HA-L210CA-HA 5.037 54.283 5.247 639463 Halpha-Halpha I240HA-E190CA-HA 4.689 54.700 4.830 1112630 Halpha-Halpha N188HA-E242CA-HA 5.572 55.057 5.087 972100 Halpha-Halpha Q209HA-E199CA-HA 5.606 55.065 5.163 1752550 Halpha-Halpha Q249HA-L254CA-HA 4.311 55.328 4.642 1423728 Halpha-Halpha F214HA-R223CA-HA 5.265 55.458 4.939 1210894 Halpha-Halpha S221HA-K216CA-HA 5.675 55.465 5.266 1424668 Halpha-Halpha T186HA-S244CA-HA 5.545 55.804 5.950 1734324 Halpha-alpha L254HA-Q249CA-HA 4.641 56.022 4.302 1124705 Halpha-Halpha Y246HA-S184CA-HA 5.097 56.253 5.561 1409510 Halpha-Halpha K197HA-K211CA-HA 4.571 56.259 4.688 1616224 Halpha-Halpha L210HA-W227CA-HA 5.248 56.351 5.039 849514 Halpha-Halpha K216HA-S221CA-HA 5.266 56.703 5.676 1527811 Halpha-Halpha S184HA-Y246CA-HA 5.561 56.756 5.099 1175912 Halpha-Halpha K211HA-K197CA-HA 4.686 57.293 4.588 819618 Halpha-Halpha R223HA-F214CA-HA 4.937 57.335 5.264 1296979 Halpha-Halpha T225HA-S212CA-HA 4.639 58.233 5.105 1539842 Halpha-Halpha V243HA-I261CA-HA 4.688 58.456 5.246 842480 Halpha-Halpha I222HA-I256CA-HA 4.550 58.907 4.938 1196822 Halpha_Halpha A241HA-I263CA-HA 5.374 59.385 4.602 1217712 Halpha-Halpha E190HA-I240CA-HA 4.822 59.426 4.708 984550 Halpha-Halpha I261HA-V243CA-HA 5.248 61.050 4.692 902121 Halpha-Halpha S244HA-T186CA-HA 5.951 61.596 5.546 1547285 Halpha-Halpha S212HA-T225CA-HA 5.105 61.847 4.642 1379368 Halpha-Halpha I256HA-V247CA-HA 4.936 61.865 4.550 1216528 Halpha-Halpha L215HA-V191CA-HA 5.364 62.692 4.175 565317 Halpha-Halpha G245HA2-V258CA-HA 4.614 64.960 3.785 700160 Halpha-Halpha G245HA3-V258CA-HA 4.354 65.296 3.784 1746559 Halpha-Halpha ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'all H's' . 11202.7 . . 15849 2 2 C 13 'aliphatic C' . 14085.28 . . 15849 2 3 H 1 HN . 11160.7 . . 15849 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 6 $SPARKY . . 15849 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 15849 _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 12 _Spectral_peak_list.Experiment_name '3D simultaneous CN NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details ; Aromatic C13 peak list from 3D aromatic C13-NOESY in H2O, Bruker 800 This peak list was combined with the aliphatic sim. NOESY C13 peak list in H2O for RPF analysis Partially assigned; 201 peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note W227HZ2-CZ3-HZ3 7.360 122.492 6.520 118487 W227HH2-CZ3-HZ3 6.939 122.439 6.521 436487 W227HZ3-CZ3-HZ3 6.521 122.421 6.521 1562840 F200HZ-W227CZ3-HZ3 7.561 122.399 6.521 107517 L210HD2-W227CZ3-HZ3 0.468 122.394 6.522 211714 W227HE3-CZ3-HZ3 7.684 122.458 6.523 373273 L210HB2-W227CZ3-HZ3 1.384 122.391 6.524 71125 ?-?-? 4.785 118.082 6.663 136541 ?-?-? 9.049 118.448 6.663 83447 A193HB-Y195CE1-HE1 1.205 118.162 6.664 466026 Y195HE2-CE2-HE2 6.664 118.138 6.664 14754078 Y195HD2-CE2-HE2 7.092 118.138 6.664 3003647 ?-?-? 3.054 118.143 6.665 298273 ?-?-? 1.347 118.017 6.759 83729 ?-?-? 2.962 117.976 6.761 137729 Y246HE2-CE2-HE2 6.762 118.018 6.762 13188229 ?-?-? 1.768 117.968 6.762 214084 Y246HD1-CE1-HE1 7.007 118.029 6.763 2343163 ?-?-? 8.808 118.211 6.763 92475 ?-?-? 4.200 118.039 6.764 243833 ?-?-? 3.084 117.873 6.764 116124 ?-?-? 1.517 118.043 6.765 147464 ?-?-? 4.545 118.018 6.766 100297 ?-?-? 3.736 118.028 6.768 109701 ?-?-? 4.804 118.049 6.770 128014 ?-?-? 3.187 117.930 6.798 82913 ?-?-? 2.453 117.900 6.799 121517 T186H-Y174CE2-HE2 8.283 117.893 6.799 116313 ?-?-? 2.010 117.939 6.800 210648 ?-?-? 0.236 117.805 6.800 90448 Y174HE1-CE1-HE1 6.800 117.910 6.800 6650488 ?-?-? 0.562 117.880 6.801 120958 ?-?-? 4.102 117.887 6.803 203343 ?-?-? 4.572 117.887 6.803 187754 ?-?-? 0.713 117.930 6.803 211528 Y174HD1-CE1-HE1 6.942 117.910 6.803 1070149 ?-?-? 4.787 117.899 6.805 149226 ?-?-? 2.142 117.945 6.805 166735 ?-?-? 1.479 117.830 6.806 88363 ?-?-? 3.048 118.170 6.832 116048 Y251HE2-CE2-HE2 6.834 118.288 6.834 25889412 Y251HD1-CE1-HE1 7.164 118.288 6.834 2050124 Y174HD1-CD1-HD1 6.917 132.912 6.917 6533017 Y174HB2-CD1-HD1 3.183 132.912 6.917 577680 Y174HB3-CD1-HD1 2.121 132.912 6.917 375405 Y174HE1-CD1-HD1 6.800 132.912 6.917 1237774 ?-?-? 1.820 132.808 6.918 86042 ?-?-? 2.265 132.899 6.920 276536 ?-?-? 0.233 132.967 6.920 242489 ?-?-? 4.105 132.957 6.920 207180 Y174HA-CD2-HD2 4.773 132.889 6.920 267461 ?-?-? 2.496 132.906 6.921 185022 ?-?-? 8.288 132.917 6.921 150531 ?-?-? 8.805 132.827 6.922 285076 ?-?-? 0.763 132.873 6.924 136639 ?-?-? 4.579 132.886 6.925 176923 F200HZ-CD1-HD1 7.558 132.587 6.929 129720 ?-?-? 7.341 130.308 6.930 131740 ?-?-? 1.685 132.574 6.932 109403 ?-?-? 1.468 132.596 6.932 157011 ?-?-? 5.597 132.582 6.932 158384 ?-?-? 5.142 132.524 6.932 135912 ?-?-? 1.420 132.574 6.933 159421 ?-?-? 0.472 132.530 6.933 291091 ?-?-? 6.931 130.509 6.933 215052 F200HD1-CD2-HD2 6.933 132.509 6.933 8063074 F200HB2-CD1-HD1 3.174 132.509 6.933 694031 F200HB3-CD1-HD1 2.967 132.509 6.933 406425 F200HE1-CD1-HD1 7.339 132.546 6.933 872374 F200H-CD1-HD1 8.185 132.549 6.934 191393 F200HA-CD1-HD1 5.044 132.596 6.935 208004 ?-?-? 8.795 132.509 6.936 224387 ?-?-? 9.058 132.547 6.936 77232 W227HH2-CH2-HH2 6.938 124.435 6.940 2235376 L210HD2-W227CH2-HH2 0.474 124.420 6.940 168535 W227HZ3-CH2-HH2 6.521 124.451 6.940 439505 W227HZ2-CH2-HH2 7.427 124.429 6.940 553951 ?-?-? 1.519 133.410 7.006 134994 ?-?-? 1.342 133.286 7.007 137874 ?-?-? 1.758 133.389 7.008 168901 Y246HD2-CD1-HD1 7.009 133.337 7.009 10489155 Y246HB2-CD1-HD1 3.062 133.337 7.009 467127 Y246HB3-CD1-HD1 2.931 133.337 7.009 529810 Y246HA-CD1-HD1 5.088 133.337 7.009 242101 Y246H-CD1-HD1 8.069 133.337 7.009 124366 Y246HE1-CD1-HD1 6.762 133.337 7.009 2207651 ?-?-? 8.551 133.357 7.010 148536 ?-?-? 3.741 133.326 7.011 218648 ?-?-? 4.187 133.286 7.011 144626 ?-?-? 5.546 133.375 7.012 96981 ?-?-? 4.779 133.465 7.013 88431 ?-?-? 4.529 133.312 7.013 104862 ?-?-? 0.750 133.218 7.015 103139 F233HD2-CD2-HD2 7.024 131.881 7.024 2618428 F233HB3-CD1-HD1 2.911 131.881 7.024 81747 F233H-CD1-HD1 7.851 131.881 7.024 71813 F233HE1-CD1-HD1 7.193 131.881 7.024 590046 F233HZ-CD1-HD1 7.264 131.881 7.024 221936 ?-?-? 7.193 131.409 7.025 738798 ?-?-? 2.178 131.849 7.025 178580 F233HB2-CD2-HD2 3.298 131.752 7.025 161275 ?-?-? 0.945 131.765 7.026 300788 F233HA-CD1-HD1 4.104 132.047 7.028 98759 Y195HB3-CD1-HD1 3.050 132.659 7.090 162961 ?-?-? 3.591 132.579 7.092 134368 Y195HD1-CD1-HD1 7.092 132.659 7.092 6700010 Y195HB2-CD1-HD1 3.233 132.659 7.092 119097 Y195HE1-CD1-HD1 6.664 132.659 7.092 1691989 ?-?-? 1.196 132.752 7.093 101894 Y195H-CD1-HD1 8.107 132.649 7.093 176988 ?-?-? 3.841 132.797 7.093 91732 Y195HA-CD1-HD1 4.774 132.703 7.094 220116 ?-?-? 3.730 132.717 7.095 142536 ?-?-? 4.026 132.806 7.095 93947 ?-?-? 5.185 132.766 7.095 73680 ?-?-? 1.999 130.856 7.120 128713 ?-?-? 1.536 130.865 7.120 108029 ?-?-? 9.038 130.810 7.122 87035 ?-?-? 4.928 130.960 7.122 89706 ?-?-? 1.763 131.037 7.122 82214 ?-?-? 0.943 130.854 7.122 199323 ?-?-? 0.874 130.883 7.122 164041 ?-?-? 1.203 130.882 7.123 108685 F214HD1-CD2-HD2 7.123 130.766 7.123 8677594 F214HB2-CD2-HD2 3.108 130.766 7.123 184495 F214HB3-CD1-HD1 3.046 130.766 7.123 178684 F214HA-CD1-HD1 5.253 130.766 7.123 192333 F214HE1-CD1-HD1 7.255 130.766 7.123 1434902 F214HZ-CD2-HD2 7.295 130.766 7.123 800258 ?-?-? 3.775 133.080 7.164 132148 Y251HD1-CD2-HD2 7.164 133.142 7.164 21353424 Y251HB2-CD1-HD1 3.071 133.142 7.164 768627 Y251HB3-CD2-HD2 3.035 133.142 7.164 819783 Y251HE1-CD1-HD1 6.834 133.142 7.164 1873426 Y251HA-CD2-HD2 4.308 133.161 7.165 397354 ?-?-? 4.546 133.283 7.171 98387 F233HE2-CE2-HE2 7.191 131.469 7.191 2010016 F233HZ-CE2-HE2 7.264 131.469 7.191 801404 ?-?-? 1.677 131.404 7.192 101636 ?-?-? 2.161 131.707 7.193 95000 ?-?-? 0.946 131.541 7.193 213764 F233HD1-CE1-HE1 7.024 131.469 7.193 595193 ?-?-? 0.572 131.448 7.195 119190 ?-?-? 4.575 131.156 7.198 80357 F214HE2-CE2-HE2 7.255 131.457 7.255 8194986 F214HD1-CE1-HE1 7.123 131.457 7.255 1174802 F214HZ-CE2-HE2 7.295 131.457 7.255 5016619 ?-?-? 0.949 131.457 7.258 82413 ?-?-? 3.681 131.526 7.259 74377 ?-?-? 0.862 131.343 7.261 74512 F233HD1-CZ-HZ 7.068 129.751 7.262 278227 F233HE1-CZ-HZ 7.173 129.751 7.262 734038 F233HZ-CZ-HZ 7.264 129.751 7.264 3068340 ?-?-? 1.667 129.627 7.267 194264 G262HA2-F233CZ-HZ 4.535 129.765 7.268 114123 I263HD1-F233CZ-HZ 0.945 129.746 7.268 176677 ?-?-? 0.573 129.826 7.268 83635 G262HA3-F233CZ-HZ 3.809 129.502 7.269 82956 I263H-F233CZ-HZ 9.031 129.645 7.270 102822 S221HB2-F214CZ-HZ 3.671 130.046 7.293 145582 F214HZ-CZ-HZ 7.295 129.963 7.295 6352090 F214HD1-CZ-HZ 7.123 129.963 7.295 232870 F214HE1-CZ-HZ 7.255 129.963 7.295 4880777 V258H-W227NE1-HD1 8.557 128.191 7.337 92868 W227HB3-CD1-HD1 3.225 128.140 7.338 195396 L226HA-W227CD1-HD1 4.473 127.968 7.338 85239 W227HA-CD1-HD1 5.045 127.944 7.338 85461 ?-?-? 6.516 131.219 7.339 95442 W227HD1-CD1-HD1 7.340 128.096 7.340 3001579 W227H-CD1-HD1 9.442 128.119 7.340 219171 W227HE1-CD1-HD1 9.976 128.083 7.340 575938 ?-?-? 1.498 131.140 7.340 81092 ?-?-? 1.393 131.193 7.340 88393 F200HD1-CE1-HE1 6.935 131.139 7.340 648528 F200HE1-CE1-HE1 7.341 131.108 7.341 3159342 F200HZ-CE1-HE1 7.561 131.108 7.341 537577 ?-?-? 1.655 131.109 7.341 123172 W227HB2-CD1-HD1 3.344 128.116 7.342 138577 T225HG2-W227CD1-HD1 0.143 128.013 7.342 107544 L210HD2-F200CE1-HE1 0.473 131.111 7.342 142714 ?-?-? 8.029 131.246 7.349 76447 T225HG2-W227CZ2-HZ2 0.141 114.592 7.423 171680 W227HE1-CZ2-HZ2 9.977 114.575 7.425 254552 W227HH2-CZ2-HZ2 6.938 114.593 7.425 593918 W227HZ2-CZ2-HZ2 7.426 114.605 7.425 2804758 W227HZ3-CZ2-HZ2 6.517 114.538 7.427 108738 W227HZ3-F200CZ-HZ 6.523 129.737 7.556 82392 F200HD1-CZ-HZ 6.929 129.907 7.558 130423 ?-?-? 3.068 129.909 7.559 125175 F200HZ-CZ-HZ 7.561 129.952 7.561 1607277 F200HE1-CZ-HZ 7.341 129.952 7.561 703463 F200HE2-W227CE3-HE3 7.353 120.318 7.680 119478 W227HH2-CE3-HE3 6.928 120.193 7.681 94780 L210HB2-W227CE3-HE3 1.383 120.274 7.681 129052 W227HZ3-CE3-HE3 6.522 120.242 7.681 391244 W227HE3-CE3-HE3 7.684 120.213 7.682 1681698 N228H-W227CE3-HE3 9.415 120.237 7.683 149996 W227HB2-CE3-HE3 3.345 120.219 7.683 140754 W227HB3-CE3-HE3 3.224 120.219 7.683 116985 W227HA-CE3-HE3 5.031 120.226 7.684 151989 L210HD2-W227CE3-HE3 0.467 120.182 7.690 102009 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'all H's' . 8802.1 . . 15849 3 2 C 13 'aromatic C' . 6036.993 . . 15849 3 3 H 1 HN . 11160.7 . . 15849 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 6 $SPARKY . . 15849 3 stop_ save_