data_16110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16110 _Entry.Title ; Solution structure of the conserved C-terminal dimerization domain of Borealin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-06 _Entry.Accession_date 2009-01-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Andreas Lingel . . . 16110 2 Wayne Fairbrother . . . 16110 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 . 'not applicable' 'not applicable' . 16110 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein dimer' . 16110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 16110 '15N chemical shifts' 68 16110 '1H chemical shifts' 465 16110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-06-02 2009-01-06 update BMRB 'edit assembly name' 16110 2 . . 2009-08-07 2009-01-06 update BMRB 'completed entry citation' 16110 1 . . 2009-06-25 2009-01-06 original author 'original release' 16110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KDD 'BMRB Entry Tracking System' 16110 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19530738 _Citation.Full_citation . _Citation.Title 'Phosphorylation of a Borealin dimerization domain is required for proper chromosome segregation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 29 _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 6783 _Citation.Page_last 6793 _Citation.Year 2009 _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 Eric Bourhis . . . 16110 1 2 Andreas Lingel . . . 16110 1 3 Qui Phung . . . 16110 1 4 Wayne Fairbrother . J. . 16110 1 5 Andrea Cochran . G. . 16110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16110 _Assembly.ID 1 _Assembly.Name Borealin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $Borealin A . yes native no no . . . 16110 1 2 entity_2 1 $Borealin B . yes native no no . . . 16110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Borealin _Entity.Sf_category entity _Entity.Sf_framecode Borealin _Entity.Entry_ID 16110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Borealin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSAGERIYNISGNGSPLADS KEIFLTVPVGGGESLRLLAS DLQRHSIAQLDPEALGNIKK LSNRLAQICSSIRTHK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KDD . "Solution Structure Of The Conserved C-Terminal Dimerization Domain Of Borealin" . . . . . 100.00 76 100.00 100.00 9.47e-46 . . . . 16110 1 2 no DBJ BAA91629 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 3 no DBJ BAB13961 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 4 no DBJ BAB14125 . "unnamed protein product [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 5 no DBJ BAD96269 . "cell division cycle associated 8 variant [Homo sapiens]" . . . . . 98.68 280 97.33 100.00 1.22e-42 . . . . 16110 1 6 no DBJ BAD96288 . "cell division cycle associated 8 variant [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.48e-43 . . . . 16110 1 7 no EMBL CAH90785 . "hypothetical protein [Pongo abelii]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 8 no GB AAH00703 . "CDCA8 protein [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 9 no GB AAH01651 . "CDCA8 protein [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 10 no GB AAH08079 . "Cell division cycle associated 8 [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 11 no GB AAH16944 . "Cell division cycle associated 8 [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.70e-43 . . . . 16110 1 12 no GB AAR91699 . "pluripotent embryonic stem cell-related protein 3 [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 13 no REF NP_001127334 . "borealin [Pongo abelii]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 14 no REF NP_001233359 . "borealin [Pan troglodytes]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 15 no REF NP_001243804 . "borealin [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 16 no REF NP_060571 . "borealin [Homo sapiens]" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 17 no REF XP_001115347 . "PREDICTED: borealin-like isoform 1 [Macaca mulatta]" . . . . . 98.68 280 97.33 100.00 9.13e-43 . . . . 16110 1 18 no SP Q53HL2 . "RecName: Full=Borealin; AltName: Full=Cell division cycle-associated protein 8; AltName: Full=Dasra-B; Short=hDasra-B; AltName:" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 1 19 no SP Q5RBS5 . "RecName: Full=Borealin; AltName: Full=Cell division cycle-associated protein 8" . . . . . 98.68 280 98.67 100.00 2.67e-43 . . . . 16110 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 1 205 GLY . 16110 1 2 206 SER . 16110 1 3 207 ALA . 16110 1 4 208 GLY . 16110 1 5 209 GLU . 16110 1 6 210 ARG . 16110 1 7 211 ILE . 16110 1 8 212 TYR . 16110 1 9 213 ASN . 16110 1 10 214 ILE . 16110 1 11 215 SER . 16110 1 12 216 GLY . 16110 1 13 217 ASN . 16110 1 14 218 GLY . 16110 1 15 219 SER . 16110 1 16 220 PRO . 16110 1 17 221 LEU . 16110 1 18 222 ALA . 16110 1 19 223 ASP . 16110 1 20 224 SER . 16110 1 21 225 LYS . 16110 1 22 226 GLU . 16110 1 23 227 ILE . 16110 1 24 228 PHE . 16110 1 25 229 LEU . 16110 1 26 230 THR . 16110 1 27 231 VAL . 16110 1 28 232 PRO . 16110 1 29 233 VAL . 16110 1 30 234 GLY . 16110 1 31 235 GLY . 16110 1 32 236 GLY . 16110 1 33 237 GLU . 16110 1 34 238 SER . 16110 1 35 239 LEU . 16110 1 36 240 ARG . 16110 1 37 241 LEU . 16110 1 38 242 LEU . 16110 1 39 243 ALA . 16110 1 40 244 SER . 16110 1 41 245 ASP . 16110 1 42 246 LEU . 16110 1 43 247 GLN . 16110 1 44 248 ARG . 16110 1 45 249 HIS . 16110 1 46 250 SER . 16110 1 47 251 ILE . 16110 1 48 252 ALA . 16110 1 49 253 GLN . 16110 1 50 254 LEU . 16110 1 51 255 ASP . 16110 1 52 256 PRO . 16110 1 53 257 GLU . 16110 1 54 258 ALA . 16110 1 55 259 LEU . 16110 1 56 260 GLY . 16110 1 57 261 ASN . 16110 1 58 262 ILE . 16110 1 59 263 LYS . 16110 1 60 264 LYS . 16110 1 61 265 LEU . 16110 1 62 266 SER . 16110 1 63 267 ASN . 16110 1 64 268 ARG . 16110 1 65 269 LEU . 16110 1 66 270 ALA . 16110 1 67 271 GLN . 16110 1 68 272 ILE . 16110 1 69 273 CYS . 16110 1 70 274 SER . 16110 1 71 275 SER . 16110 1 72 276 ILE . 16110 1 73 277 ARG . 16110 1 74 278 THR . 16110 1 75 279 HIS . 16110 1 76 280 LYS . 16110 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 . GLY 1 1 16110 1 . SER 2 2 16110 1 . ALA 3 3 16110 1 . GLY 4 4 16110 1 . GLU 5 5 16110 1 . ARG 6 6 16110 1 . ILE 7 7 16110 1 . TYR 8 8 16110 1 . ASN 9 9 16110 1 . ILE 10 10 16110 1 . SER 11 11 16110 1 . GLY 12 12 16110 1 . ASN 13 13 16110 1 . GLY 14 14 16110 1 . SER 15 15 16110 1 . PRO 16 16 16110 1 . LEU 17 17 16110 1 . ALA 18 18 16110 1 . ASP 19 19 16110 1 . SER 20 20 16110 1 . LYS 21 21 16110 1 . GLU 22 22 16110 1 . ILE 23 23 16110 1 . PHE 24 24 16110 1 . LEU 25 25 16110 1 . THR 26 26 16110 1 . VAL 27 27 16110 1 . PRO 28 28 16110 1 . VAL 29 29 16110 1 . GLY 30 30 16110 1 . GLY 31 31 16110 1 . GLY 32 32 16110 1 . GLU 33 33 16110 1 . SER 34 34 16110 1 . LEU 35 35 16110 1 . ARG 36 36 16110 1 . LEU 37 37 16110 1 . LEU 38 38 16110 1 . ALA 39 39 16110 1 . SER 40 40 16110 1 . ASP 41 41 16110 1 . LEU 42 42 16110 1 . GLN 43 43 16110 1 . ARG 44 44 16110 1 . HIS 45 45 16110 1 . SER 46 46 16110 1 . ILE 47 47 16110 1 . ALA 48 48 16110 1 . GLN 49 49 16110 1 . LEU 50 50 16110 1 . ASP 51 51 16110 1 . PRO 52 52 16110 1 . GLU 53 53 16110 1 . ALA 54 54 16110 1 . LEU 55 55 16110 1 . GLY 56 56 16110 1 . ASN 57 57 16110 1 . ILE 58 58 16110 1 . LYS 59 59 16110 1 . LYS 60 60 16110 1 . LEU 61 61 16110 1 . SER 62 62 16110 1 . ASN 63 63 16110 1 . ARG 64 64 16110 1 . LEU 65 65 16110 1 . ALA 66 66 16110 1 . GLN 67 67 16110 1 . ILE 68 68 16110 1 . CYS 69 69 16110 1 . SER 70 70 16110 1 . SER 71 71 16110 1 . ILE 72 72 16110 1 . ARG 73 73 16110 1 . THR 74 74 16110 1 . HIS 75 75 16110 1 . LYS 76 76 16110 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 16110 _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 $Borealin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16110 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 16110 _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 $Borealin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 16110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_sample _Sample.Sf_category sample _Sample.Sf_framecode unlabeled_sample _Sample.Entry_ID 16110 _Sample.ID 1 _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 Borealin 'natural abundance' . . 1 $Borealin . . 0.6 . . mM . . . . 16110 1 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 16110 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16110 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16110 1 stop_ save_ save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 16110 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Borealin '[U-100% 15N]' . . 1 $Borealin . . 0.8 . . mM . . . . 16110 2 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 16110 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16110 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16110 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16110 2 stop_ save_ save_15N_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_sample _Sample.Entry_ID 16110 _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 Borealin '[U-100% 13C; U-100% 15N]' . . 1 $Borealin . . 0.7 . . mM . . . . 16110 3 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 16110 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16110 3 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16110 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16110 3 stop_ save_ save_15N_13C_sample_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_sample_D2O _Sample.Entry_ID 16110 _Sample.ID 4 _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 Borealin '[U-100% 13C; U-100% 15N]' . . 1 $Borealin . . 0.7 . . mM . . . . 16110 4 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 16110 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16110 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16110 4 stop_ save_ save_mixed_sample _Sample.Sf_category sample _Sample.Sf_framecode mixed_sample _Sample.Entry_ID 16110 _Sample.ID 5 _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 Borealin '[U-100% 13C; U-100% 15N]' . . 1 $Borealin . . 0.4 . . mM . . . . 16110 5 2 Borealin 'natural abundance' . . 1 $Borealin . . 0.4 . . mM . . . . 16110 5 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 16110 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16110 5 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16110 5 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 16110 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16110 1 pH 7.2 . pH 16110 1 pressure 1 . atm 16110 1 temperature 299 . K 16110 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16110 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16110 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 16110 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16110 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16110 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16110 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16110 _Software.ID 4 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16110 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16110 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16110 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16110 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16110 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16110 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16110 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Display 16110 6 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 16110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic triple-resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16110 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'room temperature triple-resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16110 _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 DRX . 600 'cryogenic triple-resonance probe' . . 16110 1 2 spectrometer_2 Bruker DRX . 800 'room temperature triple-resonance probe' . . 16110 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 16110 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $15N_13C_sample_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 3 '3D HNHA' no . . . . . . . . . . 2 $15N_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $unlabeled_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N_sample anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $mixed_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 7 '3D HNCA' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 8 '3D HNCACB' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 10 '3D C(CO)NH' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 11 '3D H(CCO)NH' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 4 $15N_13C_sample_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16110 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16110 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16110 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 16110 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16110 1 2 '3D 1H-13C NOESY' . . . 16110 1 3 '3D HNHA' . . . 16110 1 7 '3D HNCA' . . . 16110 1 8 '3D HNCACB' . . . 16110 1 9 '3D CBCA(CO)NH' . . . 16110 1 10 '3D C(CO)NH' . . . 16110 1 11 '3D H(CCO)NH' . . . 16110 1 12 '3D 1H-15N TOCSY' . . . 16110 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLY H H 1 8.317 0.02 . 1 . . . . 208 G HN . 16110 1 2 . 1 1 5 5 GLU H H 1 8.106 0.02 . 1 . . . . 209 E HN . 16110 1 3 . 1 1 5 5 GLU HA H 1 4.244 0.02 . 1 . . . . 209 E HA . 16110 1 4 . 1 1 5 5 GLU HB2 H 1 1.893 0.02 . 2 . . . . 209 E HB2 . 16110 1 5 . 1 1 5 5 GLU HB3 H 1 1.989 0.02 . 2 . . . . 209 E HB3 . 16110 1 6 . 1 1 5 5 GLU HG2 H 1 2.206 0.02 . 2 . . . . 209 E HG2 . 16110 1 7 . 1 1 5 5 GLU CA C 13 55.728 0.2 . 1 . . . . 209 E CA . 16110 1 8 . 1 1 5 5 GLU CB C 13 29.946 0.2 . 1 . . . . 209 E CB . 16110 1 9 . 1 1 5 5 GLU CG C 13 35.618 0.2 . 1 . . . . 209 E CG . 16110 1 10 . 1 1 5 5 GLU N N 15 120.266 0.1 . 1 . . . . 209 E N . 16110 1 11 . 1 1 6 6 ARG H H 1 8.279 0.02 . 1 . . . . 210 R HN . 16110 1 12 . 1 1 6 6 ARG HA H 1 4.260 0.02 . 1 . . . . 210 R HA . 16110 1 13 . 1 1 6 6 ARG HB2 H 1 1.668 0.02 . 2 . . . . 210 R HB2 . 16110 1 14 . 1 1 6 6 ARG HD2 H 1 3.106 0.02 . 2 . . . . 210 R HD2 . 16110 1 15 . 1 1 6 6 ARG HG2 H 1 1.444 0.02 . 2 . . . . 210 R HG2 . 16110 1 16 . 1 1 6 6 ARG HG3 H 1 1.512 0.02 . 2 . . . . 210 R HG3 . 16110 1 17 . 1 1 6 6 ARG CA C 13 55.728 0.2 . 1 . . . . 210 R CA . 16110 1 18 . 1 1 6 6 ARG CB C 13 29.946 0.2 . 1 . . . . 210 R CB . 16110 1 19 . 1 1 6 6 ARG CD C 13 42.837 0.2 . 1 . . . . 210 R CD . 16110 1 20 . 1 1 6 6 ARG CG C 13 26.853 0.2 . 1 . . . . 210 R CG . 16110 1 21 . 1 1 6 6 ARG N N 15 122.148 0.1 . 1 . . . . 210 R N . 16110 1 22 . 1 1 7 7 ILE H H 1 8.042 0.02 . 1 . . . . 211 I HN . 16110 1 23 . 1 1 7 7 ILE HA H 1 4.081 0.02 . 1 . . . . 211 I HA . 16110 1 24 . 1 1 7 7 ILE HB H 1 1.699 0.02 . 1 . . . . 211 I HB . 16110 1 25 . 1 1 7 7 ILE HD11 H 1 0.755 0.02 . 1 . . . . 211 I QD1 . 16110 1 26 . 1 1 7 7 ILE HD12 H 1 0.755 0.02 . 1 . . . . 211 I QD1 . 16110 1 27 . 1 1 7 7 ILE HD13 H 1 0.755 0.02 . 1 . . . . 211 I QD1 . 16110 1 28 . 1 1 7 7 ILE HG12 H 1 1.042 0.02 . 2 . . . . 211 I HG12 . 16110 1 29 . 1 1 7 7 ILE HG13 H 1 1.288 0.02 . 2 . . . . 211 I HG13 . 16110 1 30 . 1 1 7 7 ILE HG21 H 1 0.734 0.02 . 1 . . . . 211 I QG2 . 16110 1 31 . 1 1 7 7 ILE HG22 H 1 0.734 0.02 . 1 . . . . 211 I QG2 . 16110 1 32 . 1 1 7 7 ILE HG23 H 1 0.734 0.02 . 1 . . . . 211 I QG2 . 16110 1 33 . 1 1 7 7 ILE CA C 13 60.306 0.2 . 1 . . . . 211 I CA . 16110 1 34 . 1 1 7 7 ILE CB C 13 38.221 0.2 . 1 . . . . 211 I CB . 16110 1 35 . 1 1 7 7 ILE CD1 C 13 12.388 0.2 . 1 . . . . 211 I CD1 . 16110 1 36 . 1 1 7 7 ILE CG1 C 13 26.809 0.2 . 1 . . . . 211 I CG1 . 16110 1 37 . 1 1 7 7 ILE CG2 C 13 17.093 0.2 . 1 . . . . 211 I CG2 . 16110 1 38 . 1 1 7 7 ILE N N 15 121.663 0.1 . 1 . . . . 211 I N . 16110 1 39 . 1 1 8 8 TYR H H 1 8.225 0.02 . 1 . . . . 212 Y HN . 16110 1 40 . 1 1 8 8 TYR HA H 1 4.571 0.02 . 1 . . . . 212 Y HA . 16110 1 41 . 1 1 8 8 TYR HB2 H 1 2.818 0.02 . 2 . . . . 212 Y HB2 . 16110 1 42 . 1 1 8 8 TYR HB3 H 1 2.987 0.02 . 2 . . . . 212 Y HB3 . 16110 1 43 . 1 1 8 8 TYR HD1 H 1 7.049 0.02 . 3 . . . . 212 Y QD . 16110 1 44 . 1 1 8 8 TYR HD2 H 1 7.049 0.02 . 3 . . . . 212 Y QD . 16110 1 45 . 1 1 8 8 TYR HE1 H 1 6.747 0.02 . 3 . . . . 212 Y QE . 16110 1 46 . 1 1 8 8 TYR HE2 H 1 6.747 0.02 . 3 . . . . 212 Y QE . 16110 1 47 . 1 1 8 8 TYR CA C 13 57.159 0.2 . 1 . . . . 212 Y CA . 16110 1 48 . 1 1 8 8 TYR CB C 13 38.596 0.2 . 1 . . . . 212 Y CB . 16110 1 49 . 1 1 8 8 TYR CD1 C 13 132.469 0.2 . 3 . . . . 212 Y CD* . 16110 1 50 . 1 1 8 8 TYR CD2 C 13 132.469 0.2 . 3 . . . . 212 Y CD* . 16110 1 51 . 1 1 8 8 TYR CE1 C 13 116.501 0.2 . 3 . . . . 212 Y CE* . 16110 1 52 . 1 1 8 8 TYR CE2 C 13 116.501 0.2 . 3 . . . . 212 Y CE* . 16110 1 53 . 1 1 8 8 TYR N N 15 123.846 0.1 . 1 . . . . 212 Y N . 16110 1 54 . 1 1 9 9 ASN H H 1 8.332 0.02 . 1 . . . . 213 N HN . 16110 1 55 . 1 1 9 9 ASN HA H 1 4.679 0.02 . 1 . . . . 213 N HA . 16110 1 56 . 1 1 9 9 ASN HB2 H 1 2.646 0.02 . 2 . . . . 213 N HB2 . 16110 1 57 . 1 1 9 9 ASN HB3 H 1 2.752 0.02 . 2 . . . . 213 N HB3 . 16110 1 58 . 1 1 9 9 ASN CA C 13 52.659 0.2 . 1 . . . . 213 N CA . 16110 1 59 . 1 1 9 9 ASN CB C 13 38.221 0.2 . 1 . . . . 213 N CB . 16110 1 60 . 1 1 9 9 ASN N N 15 120.610 0.1 . 1 . . . . 213 N N . 16110 1 61 . 1 1 10 10 ILE H H 1 8.075 0.02 . 1 . . . . 214 I HN . 16110 1 62 . 1 1 10 10 ILE HA H 1 4.158 0.02 . 1 . . . . 214 I HA . 16110 1 63 . 1 1 10 10 ILE HB H 1 1.842 0.02 . 1 . . . . 214 I HB . 16110 1 64 . 1 1 10 10 ILE HD11 H 1 0.808 0.02 . 1 . . . . 214 I QD1 . 16110 1 65 . 1 1 10 10 ILE HD12 H 1 0.808 0.02 . 1 . . . . 214 I QD1 . 16110 1 66 . 1 1 10 10 ILE HD13 H 1 0.808 0.02 . 1 . . . . 214 I QD1 . 16110 1 67 . 1 1 10 10 ILE HG12 H 1 1.117 0.02 . 2 . . . . 214 I HG12 . 16110 1 68 . 1 1 10 10 ILE HG13 H 1 1.384 0.02 . 2 . . . . 214 I HG13 . 16110 1 69 . 1 1 10 10 ILE HG21 H 1 0.858 0.02 . 1 . . . . 214 I QG2 . 16110 1 70 . 1 1 10 10 ILE HG22 H 1 0.858 0.02 . 1 . . . . 214 I QG2 . 16110 1 71 . 1 1 10 10 ILE HG23 H 1 0.858 0.02 . 1 . . . . 214 I QG2 . 16110 1 72 . 1 1 10 10 ILE CA C 13 60.740 0.2 . 1 . . . . 214 I CA . 16110 1 73 . 1 1 10 10 ILE CB C 13 38.052 0.2 . 1 . . . . 214 I CB . 16110 1 74 . 1 1 10 10 ILE CD1 C 13 12.807 0.2 . 1 . . . . 214 I CD1 . 16110 1 75 . 1 1 10 10 ILE CG1 C 13 26.708 0.2 . 1 . . . . 214 I CG1 . 16110 1 76 . 1 1 10 10 ILE CG2 C 13 16.902 0.2 . 1 . . . . 214 I CG2 . 16110 1 77 . 1 1 10 10 ILE N N 15 120.796 0.1 . 1 . . . . 214 I N . 16110 1 78 . 1 1 11 11 SER H H 1 8.330 0.02 . 1 . . . . 215 S HN . 16110 1 79 . 1 1 11 11 SER HA H 1 4.424 0.02 . 1 . . . . 215 S HA . 16110 1 80 . 1 1 11 11 SER HB2 H 1 3.821 0.02 . 2 . . . . 215 S HB2 . 16110 1 81 . 1 1 11 11 SER HB3 H 1 3.856 0.02 . 2 . . . . 215 S HB3 . 16110 1 82 . 1 1 11 11 SER CA C 13 57.436 0.2 . 1 . . . . 215 S CA . 16110 1 83 . 1 1 11 11 SER CB C 13 63.197 0.2 . 1 . . . . 215 S CB . 16110 1 84 . 1 1 11 11 SER N N 15 118.792 0.1 . 1 . . . . 215 S N . 16110 1 85 . 1 1 14 14 GLY H H 1 8.372 0.02 . 1 . . . . 218 G HN . 16110 1 86 . 1 1 14 14 GLY HA2 H 1 3.906 0.02 . 2 . . . . 218 G HA1 . 16110 1 87 . 1 1 14 14 GLY N N 15 109.059 0.1 . 1 . . . . 218 G N . 16110 1 88 . 1 1 15 15 SER H H 1 7.823 0.02 . 1 . . . . 219 S HN . 16110 1 89 . 1 1 15 15 SER HA H 1 4.714 0.02 . 1 . . . . 219 S HA . 16110 1 90 . 1 1 15 15 SER HB2 H 1 3.805 0.02 . 2 . . . . 219 S HB2 . 16110 1 91 . 1 1 15 15 SER CA C 13 55.583 0.2 . 1 . . . . 219 S CA . 16110 1 92 . 1 1 15 15 SER CB C 13 62.838 0.2 . 1 . . . . 219 S CB . 16110 1 93 . 1 1 15 15 SER N N 15 114.991 0.1 . 1 . . . . 219 S N . 16110 1 94 . 1 1 16 16 PRO HA H 1 4.402 0.02 . 1 . . . . 220 P HA . 16110 1 95 . 1 1 16 16 PRO HB2 H 1 1.851 0.02 . 2 . . . . 220 P HB2 . 16110 1 96 . 1 1 16 16 PRO HB3 H 1 2.228 0.02 . 2 . . . . 220 P HB3 . 16110 1 97 . 1 1 16 16 PRO HD2 H 1 3.659 0.02 . 2 . . . . 220 P HD2 . 16110 1 98 . 1 1 16 16 PRO HD3 H 1 3.761 0.02 . 2 . . . . 220 P HD3 . 16110 1 99 . 1 1 16 16 PRO HG2 H 1 1.937 0.02 . 2 . . . . 220 P HG2 . 16110 1 100 . 1 1 16 16 PRO CA C 13 62.762 0.2 . 1 . . . . 220 P CA . 16110 1 101 . 1 1 16 16 PRO CB C 13 31.349 0.2 . 1 . . . . 220 P CB . 16110 1 102 . 1 1 16 16 PRO CD C 13 49.912 0.2 . 1 . . . . 220 P CD . 16110 1 103 . 1 1 16 16 PRO CG C 13 26.698 0.2 . 1 . . . . 220 P CG . 16110 1 104 . 1 1 17 17 LEU H H 1 8.183 0.02 . 1 . . . . 221 L HN . 16110 1 105 . 1 1 17 17 LEU HA H 1 4.231 0.02 . 1 . . . . 221 L HA . 16110 1 106 . 1 1 17 17 LEU HB2 H 1 1.523 0.02 . 2 . . . . 221 L HB2 . 16110 1 107 . 1 1 17 17 LEU HB3 H 1 1.543 0.02 . 2 . . . . 221 L HB3 . 16110 1 108 . 1 1 17 17 LEU HD11 H 1 0.793 0.02 . 1 . . . . 221 L QD1 . 16110 1 109 . 1 1 17 17 LEU HD12 H 1 0.793 0.02 . 1 . . . . 221 L QD1 . 16110 1 110 . 1 1 17 17 LEU HD13 H 1 0.793 0.02 . 1 . . . . 221 L QD1 . 16110 1 111 . 1 1 17 17 LEU HD21 H 1 0.833 0.02 . 1 . . . . 221 L QD2 . 16110 1 112 . 1 1 17 17 LEU HD22 H 1 0.833 0.02 . 1 . . . . 221 L QD2 . 16110 1 113 . 1 1 17 17 LEU HD23 H 1 0.833 0.02 . 1 . . . . 221 L QD2 . 16110 1 114 . 1 1 17 17 LEU HG H 1 1.545 0.02 . 1 . . . . 221 L HG . 16110 1 115 . 1 1 17 17 LEU CA C 13 54.552 0.2 . 1 . . . . 221 L CA . 16110 1 116 . 1 1 17 17 LEU CB C 13 41.662 0.2 . 1 . . . . 221 L CB . 16110 1 117 . 1 1 17 17 LEU CD1 C 13 23.099 0.2 . 2 . . . . 221 L CD1 . 16110 1 118 . 1 1 17 17 LEU CD2 C 13 24.130 0.2 . 2 . . . . 221 L CD2 . 16110 1 119 . 1 1 17 17 LEU CG C 13 26.708 0.2 . 1 . . . . 221 L CG . 16110 1 120 . 1 1 17 17 LEU N N 15 121.747 0.1 . 1 . . . . 221 L N . 16110 1 121 . 1 1 18 18 ALA H H 1 8.146 0.02 . 1 . . . . 222 A HN . 16110 1 122 . 1 1 18 18 ALA HA H 1 4.207 0.02 . 1 . . . . 222 A HA . 16110 1 123 . 1 1 18 18 ALA HB1 H 1 1.325 0.02 . 1 . . . . 222 A QB . 16110 1 124 . 1 1 18 18 ALA HB2 H 1 1.325 0.02 . 1 . . . . 222 A QB . 16110 1 125 . 1 1 18 18 ALA HB3 H 1 1.325 0.02 . 1 . . . . 222 A QB . 16110 1 126 . 1 1 18 18 ALA CA C 13 52.273 0.2 . 1 . . . . 222 A CA . 16110 1 127 . 1 1 18 18 ALA CB C 13 18.758 0.2 . 1 . . . . 222 A CB . 16110 1 128 . 1 1 18 18 ALA N N 15 124.243 0.1 . 1 . . . . 222 A N . 16110 1 129 . 1 1 19 19 ASP H H 1 8.205 0.02 . 1 . . . . 223 D HN . 16110 1 130 . 1 1 19 19 ASP HA H 1 4.544 0.02 . 1 . . . . 223 D HA . 16110 1 131 . 1 1 19 19 ASP HB2 H 1 2.582 0.02 . 2 . . . . 223 D HB2 . 16110 1 132 . 1 1 19 19 ASP HB3 H 1 2.669 0.02 . 2 . . . . 223 D HB3 . 16110 1 133 . 1 1 19 19 ASP CA C 13 53.324 0.2 . 1 . . . . 223 D CA . 16110 1 134 . 1 1 19 19 ASP CB C 13 40.433 0.2 . 1 . . . . 223 D CB . 16110 1 135 . 1 1 19 19 ASP N N 15 119.284 0.1 . 1 . . . . 223 D N . 16110 1 136 . 1 1 20 20 SER H H 1 8.077 0.02 . 1 . . . . 224 S HN . 16110 1 137 . 1 1 20 20 SER HA H 1 4.325 0.02 . 1 . . . . 224 S HA . 16110 1 138 . 1 1 20 20 SER HB2 H 1 3.828 0.02 . 2 . . . . 224 S HB2 . 16110 1 139 . 1 1 20 20 SER HB3 H 1 3.908 0.02 . 2 . . . . 224 S HB3 . 16110 1 140 . 1 1 20 20 SER CA C 13 57.953 0.2 . 1 . . . . 224 S CA . 16110 1 141 . 1 1 20 20 SER CB C 13 63.102 0.2 . 1 . . . . 224 S CB . 16110 1 142 . 1 1 20 20 SER N N 15 115.588 0.1 . 1 . . . . 224 S N . 16110 1 143 . 1 1 21 21 LYS H H 1 8.503 0.02 . 1 . . . . 225 K HN . 16110 1 144 . 1 1 21 21 LYS HA H 1 4.349 0.02 . 1 . . . . 225 K HA . 16110 1 145 . 1 1 21 21 LYS HB2 H 1 1.677 0.02 . 2 . . . . 225 K HB2 . 16110 1 146 . 1 1 21 21 LYS HB3 H 1 1.905 0.02 . 2 . . . . 225 K HB3 . 16110 1 147 . 1 1 21 21 LYS HD2 H 1 1.560 0.02 . 2 . . . . 225 K HD2 . 16110 1 148 . 1 1 21 21 LYS HD3 H 1 1.625 0.02 . 2 . . . . 225 K HD3 . 16110 1 149 . 1 1 21 21 LYS HE2 H 1 2.915 0.02 . 2 . . . . 225 K HE2 . 16110 1 150 . 1 1 21 21 LYS HG2 H 1 1.331 0.02 . 2 . . . . 225 K HG2 . 16110 1 151 . 1 1 21 21 LYS HG3 H 1 1.414 0.02 . 2 . . . . 225 K HG3 . 16110 1 152 . 1 1 21 21 LYS CA C 13 54.872 0.2 . 1 . . . . 225 K CA . 16110 1 153 . 1 1 21 21 LYS CB C 13 31.667 0.2 . 1 . . . . 225 K CB . 16110 1 154 . 1 1 21 21 LYS CD C 13 28.058 0.2 . 1 . . . . 225 K CD . 16110 1 155 . 1 1 21 21 LYS CE C 13 40.949 0.2 . 1 . . . . 225 K CE . 16110 1 156 . 1 1 21 21 LYS CG C 13 23.933 0.2 . 1 . . . . 225 K CG . 16110 1 157 . 1 1 21 21 LYS N N 15 122.563 0.1 . 1 . . . . 225 K N . 16110 1 158 . 1 1 22 22 GLU H H 1 7.688 0.02 . 1 . . . . 226 E HN . 16110 1 159 . 1 1 22 22 GLU HA H 1 4.264 0.02 . 1 . . . . 226 E HA . 16110 1 160 . 1 1 22 22 GLU HB2 H 1 1.843 0.02 . 2 . . . . 226 E HB2 . 16110 1 161 . 1 1 22 22 GLU HB3 H 1 1.917 0.02 . 2 . . . . 226 E HB3 . 16110 1 162 . 1 1 22 22 GLU HG2 H 1 2.212 0.02 . 2 . . . . 226 E HG2 . 16110 1 163 . 1 1 22 22 GLU CA C 13 55.728 0.2 . 1 . . . . 226 E CA . 16110 1 164 . 1 1 22 22 GLU CB C 13 30.636 0.2 . 1 . . . . 226 E CB . 16110 1 165 . 1 1 22 22 GLU CG C 13 35.326 0.2 . 1 . . . . 226 E CG . 16110 1 166 . 1 1 22 22 GLU N N 15 119.810 0.1 . 1 . . . . 226 E N . 16110 1 167 . 1 1 23 23 ILE H H 1 8.111 0.02 . 1 . . . . 227 I HN . 16110 1 168 . 1 1 23 23 ILE HA H 1 4.498 0.02 . 1 . . . . 227 I HA . 16110 1 169 . 1 1 23 23 ILE HB H 1 1.598 0.02 . 1 . . . . 227 I HB . 16110 1 170 . 1 1 23 23 ILE HD11 H 1 0.854 0.02 . 1 . . . . 227 I QD1 . 16110 1 171 . 1 1 23 23 ILE HD12 H 1 0.854 0.02 . 1 . . . . 227 I QD1 . 16110 1 172 . 1 1 23 23 ILE HD13 H 1 0.854 0.02 . 1 . . . . 227 I QD1 . 16110 1 173 . 1 1 23 23 ILE HG12 H 1 1.170 0.02 . 2 . . . . 227 I HG12 . 16110 1 174 . 1 1 23 23 ILE HG13 H 1 1.893 0.02 . 2 . . . . 227 I HG13 . 16110 1 175 . 1 1 23 23 ILE HG21 H 1 0.811 0.02 . 1 . . . . 227 I QG2 . 16110 1 176 . 1 1 23 23 ILE HG22 H 1 0.811 0.02 . 1 . . . . 227 I QG2 . 16110 1 177 . 1 1 23 23 ILE HG23 H 1 0.811 0.02 . 1 . . . . 227 I QG2 . 16110 1 178 . 1 1 23 23 ILE CA C 13 60.027 0.2 . 1 . . . . 227 I CA . 16110 1 179 . 1 1 23 23 ILE CB C 13 38.370 0.2 . 1 . . . . 227 I CB . 16110 1 180 . 1 1 23 23 ILE CD1 C 13 14.000 0.2 . 1 . . . . 227 I CD1 . 16110 1 181 . 1 1 23 23 ILE CG1 C 13 28.060 0.2 . 1 . . . . 227 I CG1 . 16110 1 182 . 1 1 23 23 ILE CG2 C 13 16.714 0.2 . 1 . . . . 227 I CG2 . 16110 1 183 . 1 1 23 23 ILE N N 15 122.085 0.1 . 1 . . . . 227 I N . 16110 1 184 . 1 1 24 24 PHE H H 1 7.818 0.02 . 1 . . . . 228 F HN . 16110 1 185 . 1 1 24 24 PHE HA H 1 5.467 0.02 . 1 . . . . 228 F HA . 16110 1 186 . 1 1 24 24 PHE HB2 H 1 2.739 0.02 . 2 . . . . 228 F HB2 . 16110 1 187 . 1 1 24 24 PHE HB3 H 1 2.925 0.02 . 2 . . . . 228 F HB3 . 16110 1 188 . 1 1 24 24 PHE HD1 H 1 6.944 0.02 . 3 . . . . 228 F QD . 16110 1 189 . 1 1 24 24 PHE HD2 H 1 6.944 0.02 . 3 . . . . 228 F QD . 16110 1 190 . 1 1 24 24 PHE HE1 H 1 7.205 0.02 . 3 . . . . 228 F QE . 16110 1 191 . 1 1 24 24 PHE HE2 H 1 7.205 0.02 . 3 . . . . 228 F QE . 16110 1 192 . 1 1 24 24 PHE HZ H 1 7.254 0.02 . 1 . . . . 228 F HZ . 16110 1 193 . 1 1 24 24 PHE CA C 13 54.551 0.2 . 1 . . . . 228 F CA . 16110 1 194 . 1 1 24 24 PHE CB C 13 41.685 0.2 . 1 . . . . 228 F CB . 16110 1 195 . 1 1 24 24 PHE CD1 C 13 132.191 0.2 . 3 . . . . 228 F CD* . 16110 1 196 . 1 1 24 24 PHE CD2 C 13 132.191 0.2 . 3 . . . . 228 F CD* . 16110 1 197 . 1 1 24 24 PHE CE1 C 13 132.281 0.2 . 3 . . . . 228 F CE* . 16110 1 198 . 1 1 24 24 PHE CE2 C 13 132.281 0.2 . 3 . . . . 228 F CE* . 16110 1 199 . 1 1 24 24 PHE CZ C 13 129.001 0.2 . 1 . . . . 228 F CZ . 16110 1 200 . 1 1 24 24 PHE N N 15 118.840 0.1 . 1 . . . . 228 F N . 16110 1 201 . 1 1 25 25 LEU H H 1 9.271 0.02 . 1 . . . . 229 L HN . 16110 1 202 . 1 1 25 25 LEU HA H 1 4.953 0.02 . 1 . . . . 229 L HA . 16110 1 203 . 1 1 25 25 LEU HB2 H 1 1.424 0.02 . 2 . . . . 229 L HB2 . 16110 1 204 . 1 1 25 25 LEU HB3 H 1 1.479 0.02 . 2 . . . . 229 L HB3 . 16110 1 205 . 1 1 25 25 LEU HD11 H 1 0.699 0.02 . 1 . . . . 229 L QD1 . 16110 1 206 . 1 1 25 25 LEU HD12 H 1 0.699 0.02 . 1 . . . . 229 L QD1 . 16110 1 207 . 1 1 25 25 LEU HD13 H 1 0.699 0.02 . 1 . . . . 229 L QD1 . 16110 1 208 . 1 1 25 25 LEU HD21 H 1 0.662 0.02 . 1 . . . . 229 L QD2 . 16110 1 209 . 1 1 25 25 LEU HD22 H 1 0.662 0.02 . 1 . . . . 229 L QD2 . 16110 1 210 . 1 1 25 25 LEU HD23 H 1 0.662 0.02 . 1 . . . . 229 L QD2 . 16110 1 211 . 1 1 25 25 LEU HG H 1 1.485 0.02 . 1 . . . . 229 L HG . 16110 1 212 . 1 1 25 25 LEU CA C 13 52.892 0.2 . 1 . . . . 229 L CA . 16110 1 213 . 1 1 25 25 LEU CB C 13 44.755 0.2 . 1 . . . . 229 L CB . 16110 1 214 . 1 1 25 25 LEU CD1 C 13 24.449 0.2 . 2 . . . . 229 L CD1 . 16110 1 215 . 1 1 25 25 LEU CD2 C 13 25.199 0.2 . 2 . . . . 229 L CD2 . 16110 1 216 . 1 1 25 25 LEU CG C 13 27.027 0.2 . 1 . . . . 229 L CG . 16110 1 217 . 1 1 25 25 LEU N N 15 123.803 0.1 . 1 . . . . 229 L N . 16110 1 218 . 1 1 26 26 THR H H 1 8.493 0.02 . 1 . . . . 230 T HN . 16110 1 219 . 1 1 26 26 THR HA H 1 5.104 0.02 . 1 . . . . 230 T HA . 16110 1 220 . 1 1 26 26 THR HB H 1 2.769 0.02 . 1 . . . . 230 T HB . 16110 1 221 . 1 1 26 26 THR HG21 H 1 0.942 0.02 . 1 . . . . 230 T QG2 . 16110 1 222 . 1 1 26 26 THR HG22 H 1 0.942 0.02 . 1 . . . . 230 T QG2 . 16110 1 223 . 1 1 26 26 THR HG23 H 1 0.942 0.02 . 1 . . . . 230 T QG2 . 16110 1 224 . 1 1 26 26 THR CA C 13 61.771 0.2 . 1 . . . . 230 T CA . 16110 1 225 . 1 1 26 26 THR CB C 13 68.733 0.2 . 1 . . . . 230 T CB . 16110 1 226 . 1 1 26 26 THR CG2 C 13 21.263 0.2 . 1 . . . . 230 T CG2 . 16110 1 227 . 1 1 26 26 THR N N 15 121.119 0.1 . 1 . . . . 230 T N . 16110 1 228 . 1 1 27 27 VAL H H 1 9.001 0.02 . 1 . . . . 231 V HN . 16110 1 229 . 1 1 27 27 VAL HA H 1 4.600 0.02 . 1 . . . . 231 V HA . 16110 1 230 . 1 1 27 27 VAL HB H 1 2.052 0.02 . 1 . . . . 231 V HB . 16110 1 231 . 1 1 27 27 VAL HG11 H 1 0.838 0.02 . 1 . . . . 231 V QG1 . 16110 1 232 . 1 1 27 27 VAL HG12 H 1 0.838 0.02 . 1 . . . . 231 V QG1 . 16110 1 233 . 1 1 27 27 VAL HG13 H 1 0.838 0.02 . 1 . . . . 231 V QG1 . 16110 1 234 . 1 1 27 27 VAL HG21 H 1 0.763 0.02 . 1 . . . . 231 V QG2 . 16110 1 235 . 1 1 27 27 VAL HG22 H 1 0.763 0.02 . 1 . . . . 231 V QG2 . 16110 1 236 . 1 1 27 27 VAL HG23 H 1 0.763 0.02 . 1 . . . . 231 V QG2 . 16110 1 237 . 1 1 27 27 VAL CA C 13 56.940 0.2 . 1 . . . . 231 V CA . 16110 1 238 . 1 1 27 27 VAL CB C 13 33.730 0.2 . 1 . . . . 231 V CB . 16110 1 239 . 1 1 27 27 VAL CG1 C 13 19.953 0.2 . 2 . . . . 231 V CG1 . 16110 1 240 . 1 1 27 27 VAL CG2 C 13 19.920 0.2 . 2 . . . . 231 V CG2 . 16110 1 241 . 1 1 27 27 VAL N N 15 124.749 0.1 . 1 . . . . 231 V N . 16110 1 242 . 1 1 28 28 PRO HA H 1 4.661 0.02 . 1 . . . . 232 P HA . 16110 1 243 . 1 1 28 28 PRO HB2 H 1 1.905 0.02 . 2 . . . . 232 P HB2 . 16110 1 244 . 1 1 28 28 PRO HB3 H 1 2.334 0.02 . 2 . . . . 232 P HB3 . 16110 1 245 . 1 1 28 28 PRO HD2 H 1 3.457 0.02 . 2 . . . . 232 P HD2 . 16110 1 246 . 1 1 28 28 PRO HD3 H 1 3.772 0.02 . 2 . . . . 232 P HD3 . 16110 1 247 . 1 1 28 28 PRO HG2 H 1 1.809 0.02 . 2 . . . . 232 P HG2 . 16110 1 248 . 1 1 28 28 PRO HG3 H 1 1.960 0.02 . 2 . . . . 232 P HG3 . 16110 1 249 . 1 1 28 28 PRO CA C 13 62.233 0.2 . 1 . . . . 232 P CA . 16110 1 250 . 1 1 28 28 PRO CB C 13 31.667 0.2 . 1 . . . . 232 P CB . 16110 1 251 . 1 1 28 28 PRO CD C 13 50.799 0.2 . 1 . . . . 232 P CD . 16110 1 252 . 1 1 28 28 PRO CG C 13 27.037 0.2 . 1 . . . . 232 P CG . 16110 1 253 . 1 1 29 29 VAL H H 1 8.171 0.02 . 1 . . . . 233 V HN . 16110 1 254 . 1 1 29 29 VAL HA H 1 4.565 0.02 . 1 . . . . 233 V HA . 16110 1 255 . 1 1 29 29 VAL HB H 1 2.270 0.02 . 1 . . . . 233 V HB . 16110 1 256 . 1 1 29 29 VAL HG11 H 1 0.851 0.02 . 1 . . . . 233 V QG1 . 16110 1 257 . 1 1 29 29 VAL HG12 H 1 0.851 0.02 . 1 . . . . 233 V QG1 . 16110 1 258 . 1 1 29 29 VAL HG13 H 1 0.851 0.02 . 1 . . . . 233 V QG1 . 16110 1 259 . 1 1 29 29 VAL HG21 H 1 0.706 0.02 . 1 . . . . 233 V QG2 . 16110 1 260 . 1 1 29 29 VAL HG22 H 1 0.706 0.02 . 1 . . . . 233 V QG2 . 16110 1 261 . 1 1 29 29 VAL HG23 H 1 0.706 0.02 . 1 . . . . 233 V QG2 . 16110 1 262 . 1 1 29 29 VAL CA C 13 60.027 0.2 . 1 . . . . 233 V CA . 16110 1 263 . 1 1 29 29 VAL CB C 13 32.699 0.2 . 1 . . . . 233 V CB . 16110 1 264 . 1 1 29 29 VAL CG1 C 13 21.355 0.2 . 2 . . . . 233 V CG1 . 16110 1 265 . 1 1 29 29 VAL CG2 C 13 18.588 0.2 . 2 . . . . 233 V CG2 . 16110 1 266 . 1 1 29 29 VAL N N 15 116.136 0.1 . 1 . . . . 233 V N . 16110 1 267 . 1 1 30 30 GLY H H 1 8.143 0.02 . 1 . . . . 234 G HN . 16110 1 268 . 1 1 30 30 GLY HA2 H 1 3.824 0.02 . 2 . . . . 234 G HA1 . 16110 1 269 . 1 1 30 30 GLY HA3 H 1 4.209 0.02 . 2 . . . . 234 G HA2 . 16110 1 270 . 1 1 30 30 GLY CA C 13 44.635 0.2 . 1 . . . . 234 G CA . 16110 1 271 . 1 1 30 30 GLY N N 15 110.455 0.1 . 1 . . . . 234 G N . 16110 1 272 . 1 1 32 32 GLY H H 1 8.305 0.02 . 1 . . . . 236 G HN . 16110 1 273 . 1 1 32 32 GLY HA2 H 1 3.836 0.02 . 2 . . . . 236 G HA1 . 16110 1 274 . 1 1 32 32 GLY HA3 H 1 4.103 0.02 . 2 . . . . 236 G HA2 . 16110 1 275 . 1 1 32 32 GLY CA C 13 44.635 0.2 . 1 . . . . 236 G CA . 16110 1 276 . 1 1 32 32 GLY N N 15 107.539 0.1 . 1 . . . . 236 G N . 16110 1 277 . 1 1 33 33 GLU H H 1 7.583 0.02 . 1 . . . . 237 E HN . 16110 1 278 . 1 1 33 33 GLU HA H 1 4.564 0.02 . 1 . . . . 237 E HA . 16110 1 279 . 1 1 33 33 GLU HB2 H 1 1.893 0.02 . 2 . . . . 237 E HB2 . 16110 1 280 . 1 1 33 33 GLU HB3 H 1 1.990 0.02 . 2 . . . . 237 E HB3 . 16110 1 281 . 1 1 33 33 GLU HG2 H 1 2.119 0.02 . 2 . . . . 237 E HG2 . 16110 1 282 . 1 1 33 33 GLU HG3 H 1 2.246 0.02 . 2 . . . . 237 E HG3 . 16110 1 283 . 1 1 33 33 GLU CA C 13 54.355 0.2 . 1 . . . . 237 E CA . 16110 1 284 . 1 1 33 33 GLU CB C 13 30.636 0.2 . 1 . . . . 237 E CB . 16110 1 285 . 1 1 33 33 GLU CG C 13 35.277 0.2 . 1 . . . . 237 E CG . 16110 1 286 . 1 1 33 33 GLU N N 15 120.218 0.1 . 1 . . . . 237 E N . 16110 1 287 . 1 1 34 34 SER H H 1 8.630 0.02 . 1 . . . . 238 S HN . 16110 1 288 . 1 1 34 34 SER HA H 1 5.012 0.02 . 1 . . . . 238 S HA . 16110 1 289 . 1 1 34 34 SER HB2 H 1 3.451 0.02 . 2 . . . . 238 S HB2 . 16110 1 290 . 1 1 34 34 SER HB3 H 1 3.585 0.02 . 2 . . . . 238 S HB3 . 16110 1 291 . 1 1 34 34 SER CA C 13 56.915 0.2 . 1 . . . . 238 S CA . 16110 1 292 . 1 1 34 34 SER CB C 13 64.663 0.2 . 1 . . . . 238 S CB . 16110 1 293 . 1 1 34 34 SER N N 15 116.390 0.1 . 1 . . . . 238 S N . 16110 1 294 . 1 1 35 35 LEU H H 1 8.838 0.02 . 1 . . . . 239 L HN . 16110 1 295 . 1 1 35 35 LEU HA H 1 4.577 0.02 . 1 . . . . 239 L HA . 16110 1 296 . 1 1 35 35 LEU HB2 H 1 1.439 0.02 . 2 . . . . 239 L HB2 . 16110 1 297 . 1 1 35 35 LEU HB3 H 1 1.530 0.02 . 2 . . . . 239 L HB3 . 16110 1 298 . 1 1 35 35 LEU HD11 H 1 0.839 0.02 . 1 . . . . 239 L QD1 . 16110 1 299 . 1 1 35 35 LEU HD12 H 1 0.839 0.02 . 1 . . . . 239 L QD1 . 16110 1 300 . 1 1 35 35 LEU HD13 H 1 0.839 0.02 . 1 . . . . 239 L QD1 . 16110 1 301 . 1 1 35 35 LEU HD21 H 1 0.792 0.02 . 1 . . . . 239 L QD2 . 16110 1 302 . 1 1 35 35 LEU HD22 H 1 0.792 0.02 . 1 . . . . 239 L QD2 . 16110 1 303 . 1 1 35 35 LEU HD23 H 1 0.792 0.02 . 1 . . . . 239 L QD2 . 16110 1 304 . 1 1 35 35 LEU HG H 1 1.455 0.02 . 1 . . . . 239 L HG . 16110 1 305 . 1 1 35 35 LEU CA C 13 52.808 0.2 . 1 . . . . 239 L CA . 16110 1 306 . 1 1 35 35 LEU CB C 13 44.156 0.2 . 1 . . . . 239 L CB . 16110 1 307 . 1 1 35 35 LEU CD1 C 13 23.933 0.2 . 2 . . . . 239 L CD1 . 16110 1 308 . 1 1 35 35 LEU CD2 C 13 23.933 0.2 . 2 . . . . 239 L CD2 . 16110 1 309 . 1 1 35 35 LEU CG C 13 26.511 0.2 . 1 . . . . 239 L CG . 16110 1 310 . 1 1 35 35 LEU N N 15 124.463 0.1 . 1 . . . . 239 L N . 16110 1 311 . 1 1 36 36 ARG H H 1 8.526 0.02 . 1 . . . . 240 R HN . 16110 1 312 . 1 1 36 36 ARG HA H 1 5.077 0.02 . 1 . . . . 240 R HA . 16110 1 313 . 1 1 36 36 ARG HB2 H 1 1.517 0.02 . 2 . . . . 240 R HB2 . 16110 1 314 . 1 1 36 36 ARG HD2 H 1 2.578 0.02 . 2 . . . . 240 R HD2 . 16110 1 315 . 1 1 36 36 ARG HD3 H 1 2.603 0.02 . 2 . . . . 240 R HD3 . 16110 1 316 . 1 1 36 36 ARG HG2 H 1 1.244 0.02 . 2 . . . . 240 R HG2 . 16110 1 317 . 1 1 36 36 ARG HG3 H 1 1.402 0.02 . 2 . . . . 240 R HG3 . 16110 1 318 . 1 1 36 36 ARG CA C 13 54.483 0.2 . 1 . . . . 240 R CA . 16110 1 319 . 1 1 36 36 ARG CB C 13 30.777 0.2 . 1 . . . . 240 R CB . 16110 1 320 . 1 1 36 36 ARG CD C 13 42.643 0.2 . 1 . . . . 240 R CD . 16110 1 321 . 1 1 36 36 ARG CG C 13 26.617 0.2 . 1 . . . . 240 R CG . 16110 1 322 . 1 1 36 36 ARG N N 15 124.891 0.1 . 1 . . . . 240 R N . 16110 1 323 . 1 1 37 37 LEU H H 1 9.179 0.02 . 1 . . . . 241 L HN . 16110 1 324 . 1 1 37 37 LEU HA H 1 4.740 0.02 . 1 . . . . 241 L HA . 16110 1 325 . 1 1 37 37 LEU HB2 H 1 1.273 0.02 . 2 . . . . 241 L HB2 . 16110 1 326 . 1 1 37 37 LEU HB3 H 1 1.671 0.02 . 2 . . . . 241 L HB3 . 16110 1 327 . 1 1 37 37 LEU HD11 H 1 0.668 0.02 . 1 . . . . 241 L QD1 . 16110 1 328 . 1 1 37 37 LEU HD12 H 1 0.668 0.02 . 1 . . . . 241 L QD1 . 16110 1 329 . 1 1 37 37 LEU HD13 H 1 0.668 0.02 . 1 . . . . 241 L QD1 . 16110 1 330 . 1 1 37 37 LEU HD21 H 1 0.801 0.02 . 1 . . . . 241 L QD2 . 16110 1 331 . 1 1 37 37 LEU HD22 H 1 0.801 0.02 . 1 . . . . 241 L QD2 . 16110 1 332 . 1 1 37 37 LEU HD23 H 1 0.801 0.02 . 1 . . . . 241 L QD2 . 16110 1 333 . 1 1 37 37 LEU HG H 1 1.461 0.02 . 1 . . . . 241 L HG . 16110 1 334 . 1 1 37 37 LEU CA C 13 52.292 0.2 . 1 . . . . 241 L CA . 16110 1 335 . 1 1 37 37 LEU CB C 13 43.208 0.2 . 1 . . . . 241 L CB . 16110 1 336 . 1 1 37 37 LEU CD1 C 13 24.964 0.2 . 2 . . . . 241 L CD1 . 16110 1 337 . 1 1 37 37 LEU CD2 C 13 22.902 0.2 . 2 . . . . 241 L CD2 . 16110 1 338 . 1 1 37 37 LEU CG C 13 25.995 0.2 . 1 . . . . 241 L CG . 16110 1 339 . 1 1 37 37 LEU N N 15 126.203 0.1 . 1 . . . . 241 L N . 16110 1 340 . 1 1 38 38 LEU H H 1 8.825 0.02 . 1 . . . . 242 L HN . 16110 1 341 . 1 1 38 38 LEU HA H 1 4.371 0.02 . 1 . . . . 242 L HA . 16110 1 342 . 1 1 38 38 LEU HB2 H 1 1.575 0.02 . 2 . . . . 242 L HB2 . 16110 1 343 . 1 1 38 38 LEU HB3 H 1 1.685 0.02 . 2 . . . . 242 L HB3 . 16110 1 344 . 1 1 38 38 LEU HD11 H 1 0.787 0.02 . 1 . . . . 242 L QD1 . 16110 1 345 . 1 1 38 38 LEU HD12 H 1 0.787 0.02 . 1 . . . . 242 L QD1 . 16110 1 346 . 1 1 38 38 LEU HD13 H 1 0.787 0.02 . 1 . . . . 242 L QD1 . 16110 1 347 . 1 1 38 38 LEU HD21 H 1 0.743 0.02 . 1 . . . . 242 L QD2 . 16110 1 348 . 1 1 38 38 LEU HD22 H 1 0.743 0.02 . 1 . . . . 242 L QD2 . 16110 1 349 . 1 1 38 38 LEU HD23 H 1 0.743 0.02 . 1 . . . . 242 L QD2 . 16110 1 350 . 1 1 38 38 LEU HG H 1 1.583 0.02 . 1 . . . . 242 L HG . 16110 1 351 . 1 1 38 38 LEU CA C 13 54.508 0.2 . 1 . . . . 242 L CA . 16110 1 352 . 1 1 38 38 LEU CB C 13 41.583 0.2 . 1 . . . . 242 L CB . 16110 1 353 . 1 1 38 38 LEU CD1 C 13 24.007 0.2 . 2 . . . . 242 L CD1 . 16110 1 354 . 1 1 38 38 LEU CD2 C 13 23.491 0.2 . 2 . . . . 242 L CD2 . 16110 1 355 . 1 1 38 38 LEU CG C 13 27.066 0.2 . 1 . . . . 242 L CG . 16110 1 356 . 1 1 38 38 LEU N N 15 124.999 0.1 . 1 . . . . 242 L N . 16110 1 357 . 1 1 39 39 ALA H H 1 8.634 0.02 . 1 . . . . 243 A HN . 16110 1 358 . 1 1 39 39 ALA HA H 1 3.799 0.02 . 1 . . . . 243 A HA . 16110 1 359 . 1 1 39 39 ALA HB1 H 1 1.400 0.02 . 1 . . . . 243 A QB . 16110 1 360 . 1 1 39 39 ALA HB2 H 1 1.400 0.02 . 1 . . . . 243 A QB . 16110 1 361 . 1 1 39 39 ALA HB3 H 1 1.400 0.02 . 1 . . . . 243 A QB . 16110 1 362 . 1 1 39 39 ALA CA C 13 54.852 0.2 . 1 . . . . 243 A CA . 16110 1 363 . 1 1 39 39 ALA CB C 13 18.243 0.2 . 1 . . . . 243 A CB . 16110 1 364 . 1 1 39 39 ALA N N 15 125.146 0.1 . 1 . . . . 243 A N . 16110 1 365 . 1 1 40 40 SER H H 1 8.414 0.02 . 1 . . . . 244 S HN . 16110 1 366 . 1 1 40 40 SER HA H 1 4.074 0.02 . 1 . . . . 244 S HA . 16110 1 367 . 1 1 40 40 SER HB2 H 1 3.864 0.02 . 2 . . . . 244 S HB2 . 16110 1 368 . 1 1 40 40 SER HB3 H 1 3.904 0.02 . 2 . . . . 244 S HB3 . 16110 1 369 . 1 1 40 40 SER CA C 13 58.977 0.2 . 1 . . . . 244 S CA . 16110 1 370 . 1 1 40 40 SER CB C 13 61.561 0.2 . 1 . . . . 244 S CB . 16110 1 371 . 1 1 40 40 SER N N 15 109.494 0.1 . 1 . . . . 244 S N . 16110 1 372 . 1 1 41 41 ASP H H 1 7.434 0.02 . 1 . . . . 245 D HN . 16110 1 373 . 1 1 41 41 ASP HA H 1 4.809 0.02 . 1 . . . . 245 D HA . 16110 1 374 . 1 1 41 41 ASP HB2 H 1 2.530 0.02 . 2 . . . . 245 D HB2 . 16110 1 375 . 1 1 41 41 ASP HB3 H 1 2.711 0.02 . 2 . . . . 245 D HB3 . 16110 1 376 . 1 1 41 41 ASP CA C 13 52.990 0.2 . 1 . . . . 245 D CA . 16110 1 377 . 1 1 41 41 ASP CB C 13 41.792 0.2 . 1 . . . . 245 D CB . 16110 1 378 . 1 1 41 41 ASP N N 15 120.452 0.1 . 1 . . . . 245 D N . 16110 1 379 . 1 1 42 42 LEU H H 1 7.338 0.02 . 1 . . . . 246 L HN . 16110 1 380 . 1 1 42 42 LEU HA H 1 4.098 0.02 . 1 . . . . 246 L HA . 16110 1 381 . 1 1 42 42 LEU HB2 H 1 1.269 0.02 . 2 . . . . 246 L HB2 . 16110 1 382 . 1 1 42 42 LEU HB3 H 1 1.661 0.02 . 2 . . . . 246 L HB3 . 16110 1 383 . 1 1 42 42 LEU HD11 H 1 0.636 0.02 . 2 . . . . 246 L QD1 . 16110 1 384 . 1 1 42 42 LEU HD12 H 1 0.636 0.02 . 2 . . . . 246 L QD1 . 16110 1 385 . 1 1 42 42 LEU HD13 H 1 0.636 0.02 . 2 . . . . 246 L QD1 . 16110 1 386 . 1 1 42 42 LEU HD21 H 1 0.747 0.02 . 2 . . . . 246 L QD2 . 16110 1 387 . 1 1 42 42 LEU HD22 H 1 0.747 0.02 . 2 . . . . 246 L QD2 . 16110 1 388 . 1 1 42 42 LEU HD23 H 1 0.747 0.02 . 2 . . . . 246 L QD2 . 16110 1 389 . 1 1 42 42 LEU CA C 13 55.068 0.2 . 1 . . . . 246 L CA . 16110 1 390 . 1 1 42 42 LEU CB C 13 41.861 0.2 . 1 . . . . 246 L CB . 16110 1 391 . 1 1 42 42 LEU CD1 C 13 24.864 0.2 . 2 . . . . 246 L CD1 . 16110 1 392 . 1 1 42 42 LEU CD2 C 13 24.964 0.2 . 2 . . . . 246 L CD2 . 16110 1 393 . 1 1 42 42 LEU N N 15 121.293 0.1 . 1 . . . . 246 L N . 16110 1 394 . 1 1 43 43 GLN H H 1 8.170 0.02 . 1 . . . . 247 Q HN . 16110 1 395 . 1 1 43 43 GLN HA H 1 4.532 0.02 . 1 . . . . 247 Q HA . 16110 1 396 . 1 1 43 43 GLN HB2 H 1 1.581 0.02 . 2 . . . . 247 Q HB2 . 16110 1 397 . 1 1 43 43 GLN HB3 H 1 2.196 0.02 . 2 . . . . 247 Q HB3 . 16110 1 398 . 1 1 43 43 GLN HE21 H 1 6.774 0.02 . 2 . . . . 247 Q HE21 . 16110 1 399 . 1 1 43 43 GLN HE22 H 1 7.460 0.02 . 2 . . . . 247 Q HE22 . 16110 1 400 . 1 1 43 43 GLN HG2 H 1 2.370 0.02 . 2 . . . . 247 Q HG2 . 16110 1 401 . 1 1 43 43 GLN CA C 13 53.005 0.2 . 1 . . . . 247 Q CA . 16110 1 402 . 1 1 43 43 GLN CB C 13 30.978 0.2 . 1 . . . . 247 Q CB . 16110 1 403 . 1 1 43 43 GLN CG C 13 32.614 0.2 . 1 . . . . 247 Q CG . 16110 1 404 . 1 1 43 43 GLN N N 15 122.477 0.1 . 1 . . . . 247 Q N . 16110 1 405 . 1 1 43 43 GLN NE2 N 15 112.182 0.1 . 1 . . . . 247 Q NE2 . 16110 1 406 . 1 1 44 44 ARG HA H 1 3.753 0.02 . 1 . . . . 248 R HA . 16110 1 407 . 1 1 44 44 ARG HB2 H 1 1.818 0.02 . 2 . . . . 248 R HB2 . 16110 1 408 . 1 1 44 44 ARG HB3 H 1 1.863 0.02 . 2 . . . . 248 R HB3 . 16110 1 409 . 1 1 44 44 ARG HD2 H 1 3.162 0.02 . 2 . . . . 248 R HD2 . 16110 1 410 . 1 1 44 44 ARG HG2 H 1 1.441 0.02 . 2 . . . . 248 R HG2 . 16110 1 411 . 1 1 44 44 ARG HG3 H 1 1.570 0.02 . 2 . . . . 248 R HG3 . 16110 1 412 . 1 1 44 44 ARG CA C 13 59.812 0.2 . 1 . . . . 248 R CA . 16110 1 413 . 1 1 44 44 ARG CB C 13 29.306 0.2 . 1 . . . . 248 R CB . 16110 1 414 . 1 1 44 44 ARG CD C 13 42.712 0.2 . 1 . . . . 248 R CD . 16110 1 415 . 1 1 44 44 ARG CG C 13 27.243 0.2 . 1 . . . . 248 R CG . 16110 1 416 . 1 1 45 45 HIS H H 1 8.364 0.02 . 1 . . . . 249 H HN . 16110 1 417 . 1 1 45 45 HIS HA H 1 4.294 0.02 . 1 . . . . 249 H HA . 16110 1 418 . 1 1 45 45 HIS HB2 H 1 3.031 0.02 . 2 . . . . 249 H HB2 . 16110 1 419 . 1 1 45 45 HIS HB3 H 1 3.160 0.02 . 2 . . . . 249 H HB3 . 16110 1 420 . 1 1 45 45 HIS HD2 H 1 6.955 0.02 . 1 . . . . 249 H HD2 . 16110 1 421 . 1 1 45 45 HIS HE1 H 1 7.715 0.02 . 1 . . . . 249 H HE1 . 16110 1 422 . 1 1 45 45 HIS CA C 13 58.462 0.2 . 1 . . . . 249 H CA . 16110 1 423 . 1 1 45 45 HIS CB C 13 29.071 0.2 . 1 . . . . 249 H CB . 16110 1 424 . 1 1 45 45 HIS N N 15 114.528 0.1 . 1 . . . . 249 H N . 16110 1 425 . 1 1 46 46 SER H H 1 7.020 0.02 . 1 . . . . 250 S HN . 16110 1 426 . 1 1 46 46 SER HA H 1 4.153 0.02 . 1 . . . . 250 S HA . 16110 1 427 . 1 1 46 46 SER HB2 H 1 3.795 0.02 . 2 . . . . 250 S HB2 . 16110 1 428 . 1 1 46 46 SER CA C 13 59.493 0.2 . 1 . . . . 250 S CA . 16110 1 429 . 1 1 46 46 SER CB C 13 62.071 0.2 . 1 . . . . 250 S CB . 16110 1 430 . 1 1 46 46 SER N N 15 113.900 0.1 . 1 . . . . 250 S N . 16110 1 431 . 1 1 47 47 ILE H H 1 7.106 0.02 . 1 . . . . 251 I HN . 16110 1 432 . 1 1 47 47 ILE HA H 1 3.994 0.02 . 1 . . . . 251 I HA . 16110 1 433 . 1 1 47 47 ILE HB H 1 1.861 0.02 . 1 . . . . 251 I HB . 16110 1 434 . 1 1 47 47 ILE HD11 H 1 0.597 0.02 . 1 . . . . 251 I QD1 . 16110 1 435 . 1 1 47 47 ILE HD12 H 1 0.597 0.02 . 1 . . . . 251 I QD1 . 16110 1 436 . 1 1 47 47 ILE HD13 H 1 0.597 0.02 . 1 . . . . 251 I QD1 . 16110 1 437 . 1 1 47 47 ILE HG12 H 1 1.251 0.02 . 2 . . . . 251 I HG12 . 16110 1 438 . 1 1 47 47 ILE HG21 H 1 0.701 0.02 . 1 . . . . 251 I QG2 . 16110 1 439 . 1 1 47 47 ILE HG22 H 1 0.701 0.02 . 1 . . . . 251 I QG2 . 16110 1 440 . 1 1 47 47 ILE HG23 H 1 0.701 0.02 . 1 . . . . 251 I QG2 . 16110 1 441 . 1 1 47 47 ILE CA C 13 60.337 0.2 . 1 . . . . 251 I CA . 16110 1 442 . 1 1 47 47 ILE CB C 13 36.727 0.2 . 1 . . . . 251 I CB . 16110 1 443 . 1 1 47 47 ILE CD1 C 13 10.955 0.2 . 1 . . . . 251 I CD1 . 16110 1 444 . 1 1 47 47 ILE CG1 C 13 27.446 0.2 . 1 . . . . 251 I CG1 . 16110 1 445 . 1 1 47 47 ILE CG2 C 13 17.607 0.2 . 1 . . . . 251 I CG2 . 16110 1 446 . 1 1 47 47 ILE N N 15 115.759 0.1 . 1 . . . . 251 I N . 16110 1 447 . 1 1 48 48 ALA H H 1 8.117 0.02 . 1 . . . . 252 A HN . 16110 1 448 . 1 1 48 48 ALA HA H 1 3.979 0.02 . 1 . . . . 252 A HA . 16110 1 449 . 1 1 48 48 ALA HB1 H 1 1.382 0.02 . 1 . . . . 252 A QB . 16110 1 450 . 1 1 48 48 ALA HB2 H 1 1.382 0.02 . 1 . . . . 252 A QB . 16110 1 451 . 1 1 48 48 ALA HB3 H 1 1.382 0.02 . 1 . . . . 252 A QB . 16110 1 452 . 1 1 48 48 ALA CA C 13 53.821 0.2 . 1 . . . . 252 A CA . 16110 1 453 . 1 1 48 48 ALA CB C 13 17.727 0.2 . 1 . . . . 252 A CB . 16110 1 454 . 1 1 48 48 ALA N N 15 120.091 0.1 . 1 . . . . 252 A N . 16110 1 455 . 1 1 49 49 GLN H H 1 7.346 0.02 . 1 . . . . 253 Q HN . 16110 1 456 . 1 1 49 49 GLN HA H 1 4.324 0.02 . 1 . . . . 253 Q HA . 16110 1 457 . 1 1 49 49 GLN HB2 H 1 1.997 0.02 . 2 . . . . 253 Q HB2 . 16110 1 458 . 1 1 49 49 GLN HB3 H 1 2.170 0.02 . 2 . . . . 253 Q HB3 . 16110 1 459 . 1 1 49 49 GLN HE21 H 1 6.804 0.02 . 2 . . . . 253 Q HE21 . 16110 1 460 . 1 1 49 49 GLN HE22 H 1 7.386 0.02 . 2 . . . . 253 Q HE22 . 16110 1 461 . 1 1 49 49 GLN HG2 H 1 2.286 0.02 . 2 . . . . 253 Q HG2 . 16110 1 462 . 1 1 49 49 GLN HG3 H 1 2.316 0.02 . 2 . . . . 253 Q HG3 . 16110 1 463 . 1 1 49 49 GLN CA C 13 54.552 0.2 . 1 . . . . 253 Q CA . 16110 1 464 . 1 1 49 49 GLN CB C 13 28.255 0.2 . 1 . . . . 253 Q CB . 16110 1 465 . 1 1 49 49 GLN CG C 13 32.896 0.2 . 1 . . . . 253 Q CG . 16110 1 466 . 1 1 49 49 GLN N N 15 112.219 0.1 . 1 . . . . 253 Q N . 16110 1 467 . 1 1 49 49 GLN NE2 N 15 111.407 0.1 . 1 . . . . 253 Q NE2 . 16110 1 468 . 1 1 50 50 LEU H H 1 7.243 0.02 . 1 . . . . 254 L HN . 16110 1 469 . 1 1 50 50 LEU HA H 1 4.198 0.02 . 1 . . . . 254 L HA . 16110 1 470 . 1 1 50 50 LEU HB2 H 1 1.485 0.02 . 2 . . . . 254 L HB2 . 16110 1 471 . 1 1 50 50 LEU HB3 H 1 1.832 0.02 . 2 . . . . 254 L HB3 . 16110 1 472 . 1 1 50 50 LEU HD11 H 1 0.797 0.02 . 1 . . . . 254 L QD1 . 16110 1 473 . 1 1 50 50 LEU HD12 H 1 0.797 0.02 . 1 . . . . 254 L QD1 . 16110 1 474 . 1 1 50 50 LEU HD13 H 1 0.797 0.02 . 1 . . . . 254 L QD1 . 16110 1 475 . 1 1 50 50 LEU HD21 H 1 0.784 0.02 . 1 . . . . 254 L QD2 . 16110 1 476 . 1 1 50 50 LEU HD22 H 1 0.784 0.02 . 1 . . . . 254 L QD2 . 16110 1 477 . 1 1 50 50 LEU HD23 H 1 0.784 0.02 . 1 . . . . 254 L QD2 . 16110 1 478 . 1 1 50 50 LEU HG H 1 1.913 0.02 . 1 . . . . 254 L HG . 16110 1 479 . 1 1 50 50 LEU CA C 13 53.971 0.2 . 1 . . . . 254 L CA . 16110 1 480 . 1 1 50 50 LEU CB C 13 41.662 0.2 . 1 . . . . 254 L CB . 16110 1 481 . 1 1 50 50 LEU CD1 C 13 25.792 0.2 . 2 . . . . 254 L CD1 . 16110 1 482 . 1 1 50 50 LEU CD2 C 13 22.068 0.2 . 2 . . . . 254 L CD2 . 16110 1 483 . 1 1 50 50 LEU CG C 13 26.061 0.2 . 1 . . . . 254 L CG . 16110 1 484 . 1 1 50 50 LEU N N 15 120.510 0.1 . 1 . . . . 254 L N . 16110 1 485 . 1 1 51 51 ASP H H 1 8.210 0.02 . 1 . . . . 255 D HN . 16110 1 486 . 1 1 51 51 ASP HA H 1 4.664 0.02 . 1 . . . . 255 D HA . 16110 1 487 . 1 1 51 51 ASP HB2 H 1 2.666 0.02 . 2 . . . . 255 D HB2 . 16110 1 488 . 1 1 51 51 ASP HB3 H 1 2.926 0.02 . 2 . . . . 255 D HB3 . 16110 1 489 . 1 1 51 51 ASP CA C 13 52.490 0.2 . 1 . . . . 255 D CA . 16110 1 490 . 1 1 51 51 ASP CB C 13 40.259 0.2 . 1 . . . . 255 D CB . 16110 1 491 . 1 1 51 51 ASP N N 15 119.691 0.1 . 1 . . . . 255 D N . 16110 1 492 . 1 1 52 52 PRO HA H 1 4.125 0.02 . 1 . . . . 256 P HA . 16110 1 493 . 1 1 52 52 PRO HB2 H 1 1.910 0.02 . 2 . . . . 256 P HB2 . 16110 1 494 . 1 1 52 52 PRO HB3 H 1 2.347 0.02 . 2 . . . . 256 P HB3 . 16110 1 495 . 1 1 52 52 PRO HD2 H 1 3.778 0.02 . 2 . . . . 256 P HD2 . 16110 1 496 . 1 1 52 52 PRO HD3 H 1 3.871 0.02 . 2 . . . . 256 P HD3 . 16110 1 497 . 1 1 52 52 PRO HG2 H 1 1.987 0.02 . 2 . . . . 256 P HG2 . 16110 1 498 . 1 1 52 52 PRO HG3 H 1 2.149 0.02 . 2 . . . . 256 P HG3 . 16110 1 499 . 1 1 52 52 PRO CA C 13 65.380 0.2 . 1 . . . . 256 P CA . 16110 1 500 . 1 1 52 52 PRO CB C 13 31.865 0.2 . 1 . . . . 256 P CB . 16110 1 501 . 1 1 52 52 PRO CD C 13 49.912 0.2 . 1 . . . . 256 P CD . 16110 1 502 . 1 1 52 52 PRO CG C 13 27.224 0.2 . 1 . . . . 256 P CG . 16110 1 503 . 1 1 53 53 GLU H H 1 8.432 0.02 . 1 . . . . 257 E HN . 16110 1 504 . 1 1 53 53 GLU HA H 1 4.073 0.02 . 1 . . . . 257 E HA . 16110 1 505 . 1 1 53 53 GLU HB2 H 1 2.042 0.02 . 2 . . . . 257 E HB2 . 16110 1 506 . 1 1 53 53 GLU HG2 H 1 2.181 0.02 . 2 . . . . 257 E HG2 . 16110 1 507 . 1 1 53 53 GLU HG3 H 1 2.245 0.02 . 2 . . . . 257 E HG3 . 16110 1 508 . 1 1 53 53 GLU CA C 13 58.677 0.2 . 1 . . . . 257 E CA . 16110 1 509 . 1 1 53 53 GLU CB C 13 28.771 0.2 . 1 . . . . 257 E CB . 16110 1 510 . 1 1 53 53 GLU CG C 13 35.990 0.2 . 1 . . . . 257 E CG . 16110 1 511 . 1 1 53 53 GLU N N 15 119.483 0.1 . 1 . . . . 257 E N . 16110 1 512 . 1 1 54 54 ALA H H 1 7.967 0.02 . 1 . . . . 258 A HN . 16110 1 513 . 1 1 54 54 ALA HA H 1 4.240 0.02 . 1 . . . . 258 A HA . 16110 1 514 . 1 1 54 54 ALA HB1 H 1 1.502 0.02 . 1 . . . . 258 A QB . 16110 1 515 . 1 1 54 54 ALA HB2 H 1 1.502 0.02 . 1 . . . . 258 A QB . 16110 1 516 . 1 1 54 54 ALA HB3 H 1 1.502 0.02 . 1 . . . . 258 A QB . 16110 1 517 . 1 1 54 54 ALA CA C 13 54.552 0.2 . 1 . . . . 258 A CA . 16110 1 518 . 1 1 54 54 ALA CB C 13 18.699 0.2 . 1 . . . . 258 A CB . 16110 1 519 . 1 1 54 54 ALA N N 15 124.293 0.1 . 1 . . . . 258 A N . 16110 1 520 . 1 1 55 55 LEU H H 1 8.695 0.02 . 1 . . . . 259 L HN . 16110 1 521 . 1 1 55 55 LEU HA H 1 3.902 0.02 . 1 . . . . 259 L HA . 16110 1 522 . 1 1 55 55 LEU HB2 H 1 1.582 0.02 . 2 . . . . 259 L HB2 . 16110 1 523 . 1 1 55 55 LEU HD11 H 1 0.841 0.02 . 1 . . . . 259 L QD1 . 16110 1 524 . 1 1 55 55 LEU HD12 H 1 0.841 0.02 . 1 . . . . 259 L QD1 . 16110 1 525 . 1 1 55 55 LEU HD13 H 1 0.841 0.02 . 1 . . . . 259 L QD1 . 16110 1 526 . 1 1 55 55 LEU HD21 H 1 0.803 0.02 . 1 . . . . 259 L QD2 . 16110 1 527 . 1 1 55 55 LEU HD22 H 1 0.803 0.02 . 1 . . . . 259 L QD2 . 16110 1 528 . 1 1 55 55 LEU HD23 H 1 0.803 0.02 . 1 . . . . 259 L QD2 . 16110 1 529 . 1 1 55 55 LEU HG H 1 1.497 0.02 . 1 . . . . 259 L HG . 16110 1 530 . 1 1 55 55 LEU CA C 13 57.130 0.2 . 1 . . . . 259 L CA . 16110 1 531 . 1 1 55 55 LEU CB C 13 41.192 0.2 . 1 . . . . 259 L CB . 16110 1 532 . 1 1 55 55 LEU CD1 C 13 24.646 0.2 . 2 . . . . 259 L CD1 . 16110 1 533 . 1 1 55 55 LEU CD2 C 13 23.099 0.2 . 2 . . . . 259 L CD2 . 16110 1 534 . 1 1 55 55 LEU CG C 13 26.708 0.2 . 1 . . . . 259 L CG . 16110 1 535 . 1 1 55 55 LEU N N 15 118.361 0.1 . 1 . . . . 259 L N . 16110 1 536 . 1 1 56 56 GLY H H 1 8.177 0.02 . 1 . . . . 260 G HN . 16110 1 537 . 1 1 56 56 GLY HA2 H 1 3.723 0.02 . 2 . . . . 260 G HA1 . 16110 1 538 . 1 1 56 56 GLY HA3 H 1 3.971 0.02 . 2 . . . . 260 G HA2 . 16110 1 539 . 1 1 56 56 GLY CA C 13 46.302 0.2 . 1 . . . . 260 G CA . 16110 1 540 . 1 1 56 56 GLY N N 15 105.789 0.1 . 1 . . . . 260 G N . 16110 1 541 . 1 1 57 57 ASN H H 1 7.914 0.02 . 1 . . . . 261 N HN . 16110 1 542 . 1 1 57 57 ASN HA H 1 4.643 0.02 . 1 . . . . 261 N HA . 16110 1 543 . 1 1 57 57 ASN HB2 H 1 2.730 0.02 . 2 . . . . 261 N HB2 . 16110 1 544 . 1 1 57 57 ASN HB3 H 1 2.979 0.02 . 2 . . . . 261 N HB3 . 16110 1 545 . 1 1 57 57 ASN HD21 H 1 7.235 0.02 . 2 . . . . 261 N HD21 . 16110 1 546 . 1 1 57 57 ASN HD22 H 1 7.618 0.02 . 2 . . . . 261 N HD22 . 16110 1 547 . 1 1 57 57 ASN CA C 13 54.945 0.2 . 1 . . . . 261 N CA . 16110 1 548 . 1 1 57 57 ASN CB C 13 37.533 0.2 . 1 . . . . 261 N CB . 16110 1 549 . 1 1 57 57 ASN N N 15 121.132 0.1 . 1 . . . . 261 N N . 16110 1 550 . 1 1 57 57 ASN ND2 N 15 113.805 0.1 . 1 . . . . 261 N ND2 . 16110 1 551 . 1 1 58 58 ILE H H 1 8.732 0.02 . 1 . . . . 262 I HN . 16110 1 552 . 1 1 58 58 ILE HA H 1 3.712 0.02 . 1 . . . . 262 I HA . 16110 1 553 . 1 1 58 58 ILE HB H 1 2.082 0.02 . 1 . . . . 262 I HB . 16110 1 554 . 1 1 58 58 ILE HD11 H 1 0.663 0.02 . 1 . . . . 262 I QD1 . 16110 1 555 . 1 1 58 58 ILE HD12 H 1 0.663 0.02 . 1 . . . . 262 I QD1 . 16110 1 556 . 1 1 58 58 ILE HD13 H 1 0.663 0.02 . 1 . . . . 262 I QD1 . 16110 1 557 . 1 1 58 58 ILE HG12 H 1 1.157 0.02 . 2 . . . . 262 I HG12 . 16110 1 558 . 1 1 58 58 ILE HG13 H 1 1.573 0.02 . 2 . . . . 262 I HG13 . 16110 1 559 . 1 1 58 58 ILE HG21 H 1 0.815 0.02 . 1 . . . . 262 I QG2 . 16110 1 560 . 1 1 58 58 ILE HG22 H 1 0.815 0.02 . 1 . . . . 262 I QG2 . 16110 1 561 . 1 1 58 58 ILE HG23 H 1 0.815 0.02 . 1 . . . . 262 I QG2 . 16110 1 562 . 1 1 58 58 ILE CA C 13 63.820 0.2 . 1 . . . . 262 I CA . 16110 1 563 . 1 1 58 58 ILE CB C 13 35.990 0.2 . 1 . . . . 262 I CB . 16110 1 564 . 1 1 58 58 ILE CD1 C 13 12.243 0.2 . 1 . . . . 262 I CD1 . 16110 1 565 . 1 1 58 58 ILE CG1 C 13 28.771 0.2 . 1 . . . . 262 I CG1 . 16110 1 566 . 1 1 58 58 ILE CG2 C 13 16.862 0.2 . 1 . . . . 262 I CG2 . 16110 1 567 . 1 1 58 58 ILE N N 15 125.309 0.1 . 1 . . . . 262 I N . 16110 1 568 . 1 1 59 59 LYS H H 1 8.416 0.02 . 1 . . . . 263 K HN . 16110 1 569 . 1 1 59 59 LYS HA H 1 4.075 0.02 . 1 . . . . 263 K HA . 16110 1 570 . 1 1 59 59 LYS HB2 H 1 1.900 0.02 . 2 . . . . 263 K HB2 . 16110 1 571 . 1 1 59 59 LYS HD2 H 1 1.620 0.02 . 2 . . . . 263 K HD2 . 16110 1 572 . 1 1 59 59 LYS HD3 H 1 1.671 0.02 . 2 . . . . 263 K HD3 . 16110 1 573 . 1 1 59 59 LYS HE2 H 1 2.820 0.02 . 2 . . . . 263 K HE2 . 16110 1 574 . 1 1 59 59 LYS HE3 H 1 2.918 0.02 . 2 . . . . 263 K HE3 . 16110 1 575 . 1 1 59 59 LYS HG2 H 1 1.283 0.02 . 2 . . . . 263 K HG2 . 16110 1 576 . 1 1 59 59 LYS HG3 H 1 1.630 0.02 . 2 . . . . 263 K HG3 . 16110 1 577 . 1 1 59 59 LYS CA C 13 59.708 0.2 . 1 . . . . 263 K CA . 16110 1 578 . 1 1 59 59 LYS CB C 13 31.343 0.2 . 1 . . . . 263 K CB . 16110 1 579 . 1 1 59 59 LYS CD C 13 29.347 0.2 . 1 . . . . 263 K CD . 16110 1 580 . 1 1 59 59 LYS CE C 13 41.270 0.2 . 1 . . . . 263 K CE . 16110 1 581 . 1 1 59 59 LYS CG C 13 26.358 0.2 . 1 . . . . 263 K CG . 16110 1 582 . 1 1 59 59 LYS N N 15 122.080 0.1 . 1 . . . . 263 K N . 16110 1 583 . 1 1 60 60 LYS H H 1 7.793 0.02 . 1 . . . . 264 K HN . 16110 1 584 . 1 1 60 60 LYS HA H 1 4.036 0.02 . 1 . . . . 264 K HA . 16110 1 585 . 1 1 60 60 LYS HB2 H 1 1.903 0.02 . 2 . . . . 264 K HB2 . 16110 1 586 . 1 1 60 60 LYS HD2 H 1 1.692 0.02 . 2 . . . . 264 K HD2 . 16110 1 587 . 1 1 60 60 LYS HD3 H 1 1.723 0.02 . 2 . . . . 264 K HD3 . 16110 1 588 . 1 1 60 60 LYS HE2 H 1 2.941 0.02 . 2 . . . . 264 K HE2 . 16110 1 589 . 1 1 60 60 LYS HG2 H 1 1.429 0.02 . 2 . . . . 264 K HG2 . 16110 1 590 . 1 1 60 60 LYS HG3 H 1 1.652 0.02 . 2 . . . . 264 K HG3 . 16110 1 591 . 1 1 60 60 LYS CA C 13 59.708 0.2 . 1 . . . . 264 K CA . 16110 1 592 . 1 1 60 60 LYS CB C 13 31.865 0.2 . 1 . . . . 264 K CB . 16110 1 593 . 1 1 60 60 LYS CD C 13 28.771 0.2 . 1 . . . . 264 K CD . 16110 1 594 . 1 1 60 60 LYS CE C 13 41.146 0.2 . 1 . . . . 264 K CE . 16110 1 595 . 1 1 60 60 LYS CG C 13 25.162 0.2 . 1 . . . . 264 K CG . 16110 1 596 . 1 1 60 60 LYS N N 15 119.503 0.1 . 1 . . . . 264 K N . 16110 1 597 . 1 1 61 61 LEU H H 1 7.797 0.02 . 1 . . . . 265 L HN . 16110 1 598 . 1 1 61 61 LEU HA H 1 4.106 0.02 . 1 . . . . 265 L HA . 16110 1 599 . 1 1 61 61 LEU HB2 H 1 1.639 0.02 . 2 . . . . 265 L HB2 . 16110 1 600 . 1 1 61 61 LEU HB3 H 1 2.010 0.02 . 2 . . . . 265 L HB3 . 16110 1 601 . 1 1 61 61 LEU HD11 H 1 0.815 0.02 . 1 . . . . 265 L QD1 . 16110 1 602 . 1 1 61 61 LEU HD12 H 1 0.815 0.02 . 1 . . . . 265 L QD1 . 16110 1 603 . 1 1 61 61 LEU HD13 H 1 0.815 0.02 . 1 . . . . 265 L QD1 . 16110 1 604 . 1 1 61 61 LEU HD21 H 1 0.752 0.02 . 1 . . . . 265 L QD2 . 16110 1 605 . 1 1 61 61 LEU HD22 H 1 0.752 0.02 . 1 . . . . 265 L QD2 . 16110 1 606 . 1 1 61 61 LEU HD23 H 1 0.752 0.02 . 1 . . . . 265 L QD2 . 16110 1 607 . 1 1 61 61 LEU HG H 1 1.436 0.02 . 1 . . . . 265 L HG . 16110 1 608 . 1 1 61 61 LEU CA C 13 57.646 0.2 . 1 . . . . 265 L CA . 16110 1 609 . 1 1 61 61 LEU CB C 13 40.177 0.2 . 1 . . . . 265 L CB . 16110 1 610 . 1 1 61 61 LEU CD1 C 13 23.588 0.2 . 2 . . . . 265 L CD1 . 16110 1 611 . 1 1 61 61 LEU CD2 C 13 25.593 0.2 . 2 . . . . 265 L CD2 . 16110 1 612 . 1 1 61 61 LEU CG C 13 26.708 0.2 . 1 . . . . 265 L CG . 16110 1 613 . 1 1 61 61 LEU N N 15 121.392 0.1 . 1 . . . . 265 L N . 16110 1 614 . 1 1 62 62 SER H H 1 8.775 0.02 . 1 . . . . 266 S HN . 16110 1 615 . 1 1 62 62 SER HA H 1 4.001 0.02 . 1 . . . . 266 S HA . 16110 1 616 . 1 1 62 62 SER HB2 H 1 3.707 0.02 . 2 . . . . 266 S HB2 . 16110 1 617 . 1 1 62 62 SER HB3 H 1 4.049 0.02 . 2 . . . . 266 S HB3 . 16110 1 618 . 1 1 62 62 SER HG H 1 5.618 0.02 . 1 . . . . 266 S HG . 16110 1 619 . 1 1 62 62 SER CA C 13 60.224 0.2 . 1 . . . . 266 S CA . 16110 1 620 . 1 1 62 62 SER CB C 13 62.758 0.2 . 1 . . . . 266 S CB . 16110 1 621 . 1 1 62 62 SER N N 15 112.902 0.1 . 1 . . . . 266 S N . 16110 1 622 . 1 1 63 63 ASN H H 1 8.199 0.02 . 1 . . . . 267 N HN . 16110 1 623 . 1 1 63 63 ASN HA H 1 4.393 0.02 . 1 . . . . 267 N HA . 16110 1 624 . 1 1 63 63 ASN HB2 H 1 2.832 0.02 . 2 . . . . 267 N HB2 . 16110 1 625 . 1 1 63 63 ASN HB3 H 1 2.906 0.02 . 2 . . . . 267 N HB3 . 16110 1 626 . 1 1 63 63 ASN HD21 H 1 6.870 0.02 . 2 . . . . 267 N HD21 . 16110 1 627 . 1 1 63 63 ASN HD22 H 1 7.675 0.02 . 2 . . . . 267 N HD22 . 16110 1 628 . 1 1 63 63 ASN CA C 13 55.583 0.2 . 1 . . . . 267 N CA . 16110 1 629 . 1 1 63 63 ASN CB C 13 37.537 0.2 . 1 . . . . 267 N CB . 16110 1 630 . 1 1 63 63 ASN N N 15 117.813 0.1 . 1 . . . . 267 N N . 16110 1 631 . 1 1 63 63 ASN ND2 N 15 112.361 0.1 . 1 . . . . 267 N ND2 . 16110 1 632 . 1 1 64 64 ARG H H 1 8.000 0.02 . 1 . . . . 268 R HN . 16110 1 633 . 1 1 64 64 ARG HA H 1 4.118 0.02 . 1 . . . . 268 R HA . 16110 1 634 . 1 1 64 64 ARG HB2 H 1 1.928 0.02 . 2 . . . . 268 R HB2 . 16110 1 635 . 1 1 64 64 ARG HB3 H 1 1.985 0.02 . 2 . . . . 268 R HB3 . 16110 1 636 . 1 1 64 64 ARG HD2 H 1 3.248 0.02 . 2 . . . . 268 R HD2 . 16110 1 637 . 1 1 64 64 ARG HD3 H 1 3.313 0.02 . 2 . . . . 268 R HD3 . 16110 1 638 . 1 1 64 64 ARG HG2 H 1 1.612 0.02 . 2 . . . . 268 R HG2 . 16110 1 639 . 1 1 64 64 ARG HG3 H 1 1.776 0.02 . 2 . . . . 268 R HG3 . 16110 1 640 . 1 1 64 64 ARG CA C 13 57.646 0.2 . 1 . . . . 268 R CA . 16110 1 641 . 1 1 64 64 ARG CB C 13 29.307 0.2 . 1 . . . . 268 R CB . 16110 1 642 . 1 1 64 64 ARG CD C 13 42.271 0.2 . 1 . . . . 268 R CD . 16110 1 643 . 1 1 64 64 ARG CG C 13 26.708 0.2 . 1 . . . . 268 R CG . 16110 1 644 . 1 1 64 64 ARG N N 15 120.911 0.1 . 1 . . . . 268 R N . 16110 1 645 . 1 1 65 65 LEU H H 1 9.119 0.02 . 1 . . . . 269 L HN . 16110 1 646 . 1 1 65 65 LEU HA H 1 3.916 0.02 . 1 . . . . 269 L HA . 16110 1 647 . 1 1 65 65 LEU HB2 H 1 1.582 0.02 . 2 . . . . 269 L HB2 . 16110 1 648 . 1 1 65 65 LEU HB3 H 1 1.721 0.02 . 2 . . . . 269 L HB3 . 16110 1 649 . 1 1 65 65 LEU HD11 H 1 0.811 0.02 . 1 . . . . 269 L QD1 . 16110 1 650 . 1 1 65 65 LEU HD12 H 1 0.811 0.02 . 1 . . . . 269 L QD1 . 16110 1 651 . 1 1 65 65 LEU HD13 H 1 0.811 0.02 . 1 . . . . 269 L QD1 . 16110 1 652 . 1 1 65 65 LEU HD21 H 1 0.671 0.02 . 1 . . . . 269 L QD2 . 16110 1 653 . 1 1 65 65 LEU HD22 H 1 0.671 0.02 . 1 . . . . 269 L QD2 . 16110 1 654 . 1 1 65 65 LEU HD23 H 1 0.671 0.02 . 1 . . . . 269 L QD2 . 16110 1 655 . 1 1 65 65 LEU HG H 1 1.630 0.02 . 1 . . . . 269 L HG . 16110 1 656 . 1 1 65 65 LEU CA C 13 57.124 0.2 . 1 . . . . 269 L CA . 16110 1 657 . 1 1 65 65 LEU CB C 13 41.662 0.2 . 1 . . . . 269 L CB . 16110 1 658 . 1 1 65 65 LEU CD1 C 13 23.615 0.2 . 2 . . . . 269 L CD1 . 16110 1 659 . 1 1 65 65 LEU CD2 C 13 23.587 0.2 . 2 . . . . 269 L CD2 . 16110 1 660 . 1 1 65 65 LEU CG C 13 26.177 0.2 . 1 . . . . 269 L CG . 16110 1 661 . 1 1 65 65 LEU N N 15 119.046 0.1 . 1 . . . . 269 L N . 16110 1 662 . 1 1 66 66 ALA H H 1 8.245 0.02 . 1 . . . . 270 A HN . 16110 1 663 . 1 1 66 66 ALA HA H 1 3.997 0.02 . 1 . . . . 270 A HA . 16110 1 664 . 1 1 66 66 ALA HB1 H 1 1.407 0.02 . 1 . . . . 270 A QB . 16110 1 665 . 1 1 66 66 ALA HB2 H 1 1.407 0.02 . 1 . . . . 270 A QB . 16110 1 666 . 1 1 66 66 ALA HB3 H 1 1.407 0.02 . 1 . . . . 270 A QB . 16110 1 667 . 1 1 66 66 ALA CA C 13 54.337 0.2 . 1 . . . . 270 A CA . 16110 1 668 . 1 1 66 66 ALA CB C 13 16.696 0.2 . 1 . . . . 270 A CB . 16110 1 669 . 1 1 66 66 ALA N N 15 121.047 0.1 . 1 . . . . 270 A N . 16110 1 670 . 1 1 67 67 GLN H H 1 7.704 0.02 . 1 . . . . 271 Q HN . 16110 1 671 . 1 1 67 67 GLN HA H 1 4.025 0.02 . 1 . . . . 271 Q HA . 16110 1 672 . 1 1 67 67 GLN HB2 H 1 2.204 0.02 . 2 . . . . 271 Q HB2 . 16110 1 673 . 1 1 67 67 GLN HB3 H 1 2.240 0.02 . 2 . . . . 271 Q HB3 . 16110 1 674 . 1 1 67 67 GLN HE21 H 1 6.774 0.02 . 2 . . . . 271 Q HE21 . 16110 1 675 . 1 1 67 67 GLN HE22 H 1 7.386 0.02 . 2 . . . . 271 Q HE22 . 16110 1 676 . 1 1 67 67 GLN HG2 H 1 2.339 0.02 . 2 . . . . 271 Q HG2 . 16110 1 677 . 1 1 67 67 GLN HG3 H 1 2.534 0.02 . 2 . . . . 271 Q HG3 . 16110 1 678 . 1 1 67 67 GLN CA C 13 58.418 0.2 . 1 . . . . 271 Q CA . 16110 1 679 . 1 1 67 67 GLN CB C 13 27.996 0.2 . 1 . . . . 271 Q CB . 16110 1 680 . 1 1 67 67 GLN CG C 13 33.152 0.2 . 1 . . . . 271 Q CG . 16110 1 681 . 1 1 67 67 GLN N N 15 118.440 0.1 . 1 . . . . 271 Q N . 16110 1 682 . 1 1 67 67 GLN NE2 N 15 111.533 0.1 . 1 . . . . 271 Q NE2 . 16110 1 683 . 1 1 68 68 ILE H H 1 8.142 0.02 . 1 . . . . 272 I HN . 16110 1 684 . 1 1 68 68 ILE HA H 1 3.723 0.02 . 1 . . . . 272 I HA . 16110 1 685 . 1 1 68 68 ILE HB H 1 1.869 0.02 . 1 . . . . 272 I HB . 16110 1 686 . 1 1 68 68 ILE HD11 H 1 0.584 0.02 . 1 . . . . 272 I QD1 . 16110 1 687 . 1 1 68 68 ILE HD12 H 1 0.584 0.02 . 1 . . . . 272 I QD1 . 16110 1 688 . 1 1 68 68 ILE HD13 H 1 0.584 0.02 . 1 . . . . 272 I QD1 . 16110 1 689 . 1 1 68 68 ILE HG12 H 1 0.954 0.02 . 2 . . . . 272 I HG12 . 16110 1 690 . 1 1 68 68 ILE HG13 H 1 1.767 0.02 . 2 . . . . 272 I HG13 . 16110 1 691 . 1 1 68 68 ILE HG21 H 1 0.792 0.02 . 1 . . . . 272 I QG2 . 16110 1 692 . 1 1 68 68 ILE HG22 H 1 0.792 0.02 . 1 . . . . 272 I QG2 . 16110 1 693 . 1 1 68 68 ILE HG23 H 1 0.792 0.02 . 1 . . . . 272 I QG2 . 16110 1 694 . 1 1 68 68 ILE CA C 13 64.605 0.2 . 1 . . . . 272 I CA . 16110 1 695 . 1 1 68 68 ILE CB C 13 37.793 0.2 . 1 . . . . 272 I CB . 16110 1 696 . 1 1 68 68 ILE CD1 C 13 13.553 0.2 . 1 . . . . 272 I CD1 . 16110 1 697 . 1 1 68 68 ILE CG1 C 13 29.027 0.2 . 1 . . . . 272 I CG1 . 16110 1 698 . 1 1 68 68 ILE CG2 C 13 17.607 0.2 . 1 . . . . 272 I CG2 . 16110 1 699 . 1 1 68 68 ILE N N 15 119.521 0.1 . 1 . . . . 272 I N . 16110 1 700 . 1 1 69 69 CYS H H 1 8.817 0.02 . 1 . . . . 273 C HN . 16110 1 701 . 1 1 69 69 CYS HA H 1 3.958 0.02 . 1 . . . . 273 C HA . 16110 1 702 . 1 1 69 69 CYS HB2 H 1 2.790 0.02 . 2 . . . . 273 C HB2 . 16110 1 703 . 1 1 69 69 CYS HB3 H 1 3.039 0.02 . 2 . . . . 273 C HB3 . 16110 1 704 . 1 1 69 69 CYS CA C 13 64.204 0.2 . 1 . . . . 273 C CA . 16110 1 705 . 1 1 69 69 CYS CB C 13 26.337 0.2 . 1 . . . . 273 C CB . 16110 1 706 . 1 1 69 69 CYS N N 15 117.234 0.1 . 1 . . . . 273 C N . 16110 1 707 . 1 1 70 70 SER H H 1 7.880 0.02 . 1 . . . . 274 S HN . 16110 1 708 . 1 1 70 70 SER HA H 1 4.246 0.02 . 1 . . . . 274 S HA . 16110 1 709 . 1 1 70 70 SER HB2 H 1 3.972 0.02 . 2 . . . . 274 S HB2 . 16110 1 710 . 1 1 70 70 SER CA C 13 60.008 0.2 . 1 . . . . 274 S CA . 16110 1 711 . 1 1 70 70 SER CB C 13 62.071 0.2 . 1 . . . . 274 S CB . 16110 1 712 . 1 1 70 70 SER N N 15 114.227 0.1 . 1 . . . . 274 S N . 16110 1 713 . 1 1 71 71 SER H H 1 7.609 0.02 . 1 . . . . 275 S HN . 16110 1 714 . 1 1 71 71 SER HA H 1 4.564 0.02 . 1 . . . . 275 S HA . 16110 1 715 . 1 1 71 71 SER HB2 H 1 3.898 0.02 . 2 . . . . 275 S HB2 . 16110 1 716 . 1 1 71 71 SER HB3 H 1 4.087 0.02 . 2 . . . . 275 S HB3 . 16110 1 717 . 1 1 71 71 SER CA C 13 57.946 0.2 . 1 . . . . 275 S CA . 16110 1 718 . 1 1 71 71 SER CB C 13 63.618 0.2 . 1 . . . . 275 S CB . 16110 1 719 . 1 1 71 71 SER N N 15 114.958 0.1 . 1 . . . . 275 S N . 16110 1 720 . 1 1 72 72 ILE H H 1 7.357 0.02 . 1 . . . . 276 I HN . 16110 1 721 . 1 1 72 72 ILE HA H 1 4.169 0.02 . 1 . . . . 276 I HA . 16110 1 722 . 1 1 72 72 ILE HB H 1 1.723 0.02 . 1 . . . . 276 I HB . 16110 1 723 . 1 1 72 72 ILE HD11 H 1 0.731 0.02 . 1 . . . . 276 I QD1 . 16110 1 724 . 1 1 72 72 ILE HD12 H 1 0.731 0.02 . 1 . . . . 276 I QD1 . 16110 1 725 . 1 1 72 72 ILE HD13 H 1 0.731 0.02 . 1 . . . . 276 I QD1 . 16110 1 726 . 1 1 72 72 ILE HG12 H 1 0.980 0.02 . 2 . . . . 276 I HG12 . 16110 1 727 . 1 1 72 72 ILE HG13 H 1 1.658 0.02 . 2 . . . . 276 I HG13 . 16110 1 728 . 1 1 72 72 ILE HG21 H 1 0.854 0.02 . 1 . . . . 276 I QG2 . 16110 1 729 . 1 1 72 72 ILE HG22 H 1 0.854 0.02 . 1 . . . . 276 I QG2 . 16110 1 730 . 1 1 72 72 ILE HG23 H 1 0.854 0.02 . 1 . . . . 276 I QG2 . 16110 1 731 . 1 1 72 72 ILE CA C 13 60.967 0.2 . 1 . . . . 276 I CA . 16110 1 732 . 1 1 72 72 ILE CB C 13 38.276 0.2 . 1 . . . . 276 I CB . 16110 1 733 . 1 1 72 72 ILE CD1 C 13 14.033 0.2 . 1 . . . . 276 I CD1 . 16110 1 734 . 1 1 72 72 ILE CG1 C 13 26.904 0.2 . 1 . . . . 276 I CG1 . 16110 1 735 . 1 1 72 72 ILE CG2 C 13 17.081 0.2 . 1 . . . . 276 I CG2 . 16110 1 736 . 1 1 72 72 ILE N N 15 123.513 0.1 . 1 . . . . 276 I N . 16110 1 737 . 1 1 73 73 ARG H H 1 8.508 0.02 . 1 . . . . 277 R HN . 16110 1 738 . 1 1 73 73 ARG HA H 1 4.446 0.02 . 1 . . . . 277 R HA . 16110 1 739 . 1 1 73 73 ARG HB2 H 1 1.723 0.02 . 2 . . . . 277 R HB2 . 16110 1 740 . 1 1 73 73 ARG HB3 H 1 1.802 0.02 . 2 . . . . 277 R HB3 . 16110 1 741 . 1 1 73 73 ARG HD2 H 1 3.162 0.02 . 2 . . . . 277 R HD2 . 16110 1 742 . 1 1 73 73 ARG HG2 H 1 1.545 0.02 . 2 . . . . 277 R HG2 . 16110 1 743 . 1 1 73 73 ARG HG3 H 1 1.585 0.02 . 2 . . . . 277 R HG3 . 16110 1 744 . 1 1 73 73 ARG CA C 13 55.324 0.2 . 1 . . . . 277 R CA . 16110 1 745 . 1 1 73 73 ARG CB C 13 30.499 0.2 . 1 . . . . 277 R CB . 16110 1 746 . 1 1 73 73 ARG CD C 13 42.949 0.2 . 1 . . . . 277 R CD . 16110 1 747 . 1 1 73 73 ARG CG C 13 26.449 0.2 . 1 . . . . 277 R CG . 16110 1 748 . 1 1 73 73 ARG N N 15 126.709 0.1 . 1 . . . . 277 R N . 16110 1 749 . 1 1 75 75 HIS HA H 1 4.602 0.02 . 1 . . . . 279 H HA . 16110 1 750 . 1 1 75 75 HIS HB2 H 1 3.052 0.02 . 2 . . . . 279 H HB2 . 16110 1 751 . 1 1 75 75 HIS HB3 H 1 3.108 0.02 . 2 . . . . 279 H HB3 . 16110 1 752 . 1 1 75 75 HIS HD2 H 1 7.018 0.02 . 1 . . . . 279 H HD2 . 16110 1 753 . 1 1 75 75 HIS HE1 H 1 7.932 0.02 . 1 . . . . 279 H HE1 . 16110 1 754 . 1 1 75 75 HIS CA C 13 55.840 0.2 . 1 . . . . 279 H CA . 16110 1 755 . 1 1 75 75 HIS CB C 13 30.426 0.2 . 1 . . . . 279 H CB . 16110 1 756 . 1 1 76 76 LYS H H 1 7.978 0.02 . 1 . . . . 280 K HN . 16110 1 757 . 1 1 76 76 LYS HA H 1 4.059 0.02 . 1 . . . . 280 K HA . 16110 1 758 . 1 1 76 76 LYS N N 15 127.504 0.1 . 1 . . . . 280 K N . 16110 1 stop_ save_