data_5984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5984 _Entry.Title ; 1H and 15N chemical shift assignments for FtsN 243-319 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-27 _Entry.Accession_date 2003-10-27 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ji-Chun Yang . . . 5984 2 Fusinita 'van den Ent' . . . 5984 3 David Neuhaus . . . 5984 4 Julian Brevier . . . 5984 5 Jan Lowe . . . 5984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 497 5984 '15N chemical shifts' 76 5984 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 1 . . 2004-05-15 2003-10-27 original author . 5984 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5984 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15101973 _Citation.Full_citation . _Citation.Title 'Solution Structure and Domain Architecture of the Divisome Protein FtsN' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 52 _Citation.Journal_issue 3 _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 651 _Citation.Page_last 660 _Citation.Year 2004 _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 Ji-Chun Yang . . . 5984 1 2 Fusinita 'van den Ent' . . . 5984 1 3 David Neuhaus . . . 5984 1 4 Julian Brevier . . . 5984 1 5 Jan Lowe . . . 5984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_FtsN_RNP_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode FtsN_RNP_domain _Assembly.Entry_ID 5984 _Assembly.ID 1 _Assembly.Name 'FtsN RNP domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5984 1 stop_ 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 'FtsN RNP domain' 1 $FtsN . . . native . . . . . 5984 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FtsN RNP domain' system 5984 1 'FtsN RNP domain' abbreviation 5984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FtsN _Entity.Sf_category entity _Entity.Sf_framecode FtsN _Entity.Entry_ID 5984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FtsN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KDERRWMVQCGSFRGAEQAE TVRAQLAFEGFDSKITTNNG WNRVVIGPVKGKENADSTLN RLKMAGHTNCIRLAAGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _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 2015-01-28 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 1UTA . "Solution Structure Of The C-Terminal Rnp Domain From The Divisome Protein Ftsn" . . . . . 100.00 81 100.00 100.00 9.04e-49 . . . . 5984 1 2 no DBJ BAB38283 . "essential cell division protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 319 100.00 100.00 1.05e-49 . . . . 5984 1 3 no DBJ BAE77377 . "essential cell division protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 4 no DBJ BAG79746 . "cell division protein [Escherichia coli SE11]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 5 no DBJ BAI27817 . "essential cell division protein FtsN [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 6 no DBJ BAI33291 . "essential cell division protein FtsN [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 319 98.70 100.00 5.19e-49 . . . . 5984 1 7 no EMBL CAP78390 . "Cell division protein ftsN [Escherichia coli LF82]" . . . . . 100.00 319 100.00 100.00 1.38e-49 . . . . 5984 1 8 no EMBL CAQ34284 . "essential cell division protein FtsN [Escherichia coli BL21(DE3)]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 9 no EMBL CAR00909 . "essential cell division protein [Escherichia coli IAI1]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 10 no EMBL CAR05563 . "essential cell division protein [Escherichia coli S88]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 11 no EMBL CAR10743 . "essential cell division protein [Escherichia coli ED1a]" . . . . . 100.00 319 100.00 100.00 1.19e-49 . . . . 5984 1 12 no GB AAA23814 . "cell division protein [Escherichia coli]" . . . . . 100.00 319 100.00 100.00 1.05e-49 . . . . 5984 1 13 no GB AAB03065 . "suppressor protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 14 no GB AAC76915 . "essential cell division protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 15 no GB AAG59128 . "essential cell division protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 319 100.00 100.00 1.05e-49 . . . . 5984 1 16 no GB AAN45444 . "essential cell division protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 17 no REF NP_290564 . "cell division protein FtsN [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 319 100.00 100.00 1.05e-49 . . . . 5984 1 18 no REF NP_312887 . "cell division protein FtsN [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 319 100.00 100.00 1.05e-49 . . . . 5984 1 19 no REF NP_418368 . "essential cell division protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 20 no REF NP_709737 . "essential cell division protein FtsN [Shigella flexneri 2a str. 301]" . . . . . 100.00 319 100.00 100.00 1.09e-49 . . . . 5984 1 21 no REF NP_756740 . "essential cell division protein FtsN [Escherichia coli CFT073]" . . . . . 100.00 319 100.00 100.00 1.38e-49 . . . . 5984 1 22 no SP P29131 . "RecName: Full=Cell division protein FtsN [Escherichia coli K-12]" . . . . . 100.00 319 100.00 100.00 1.01e-49 . . . . 5984 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FtsN common 5984 1 FtsN abbreviation 5984 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 1 243 LYS . 5984 1 2 244 ASP . 5984 1 3 245 GLU . 5984 1 4 246 ARG . 5984 1 5 247 ARG . 5984 1 6 248 TRP . 5984 1 7 249 MET . 5984 1 8 250 VAL . 5984 1 9 251 GLN . 5984 1 10 252 CYS . 5984 1 11 253 GLY . 5984 1 12 254 SER . 5984 1 13 255 PHE . 5984 1 14 256 ARG . 5984 1 15 257 GLY . 5984 1 16 258 ALA . 5984 1 17 259 GLU . 5984 1 18 260 GLN . 5984 1 19 261 ALA . 5984 1 20 262 GLU . 5984 1 21 263 THR . 5984 1 22 264 VAL . 5984 1 23 265 ARG . 5984 1 24 266 ALA . 5984 1 25 267 GLN . 5984 1 26 268 LEU . 5984 1 27 269 ALA . 5984 1 28 270 PHE . 5984 1 29 271 GLU . 5984 1 30 272 GLY . 5984 1 31 273 PHE . 5984 1 32 274 ASP . 5984 1 33 275 SER . 5984 1 34 276 LYS . 5984 1 35 277 ILE . 5984 1 36 278 THR . 5984 1 37 279 THR . 5984 1 38 280 ASN . 5984 1 39 281 ASN . 5984 1 40 282 GLY . 5984 1 41 283 TRP . 5984 1 42 284 ASN . 5984 1 43 285 ARG . 5984 1 44 286 VAL . 5984 1 45 287 VAL . 5984 1 46 288 ILE . 5984 1 47 289 GLY . 5984 1 48 290 PRO . 5984 1 49 291 VAL . 5984 1 50 292 LYS . 5984 1 51 293 GLY . 5984 1 52 294 LYS . 5984 1 53 295 GLU . 5984 1 54 296 ASN . 5984 1 55 297 ALA . 5984 1 56 298 ASP . 5984 1 57 299 SER . 5984 1 58 300 THR . 5984 1 59 301 LEU . 5984 1 60 302 ASN . 5984 1 61 303 ARG . 5984 1 62 304 LEU . 5984 1 63 305 LYS . 5984 1 64 306 MET . 5984 1 65 307 ALA . 5984 1 66 308 GLY . 5984 1 67 309 HIS . 5984 1 68 310 THR . 5984 1 69 311 ASN . 5984 1 70 312 CYS . 5984 1 71 313 ILE . 5984 1 72 314 ARG . 5984 1 73 315 LEU . 5984 1 74 316 ALA . 5984 1 75 317 ALA . 5984 1 76 318 GLY . 5984 1 77 319 GLY . 5984 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 . LYS 1 1 5984 1 . ASP 2 2 5984 1 . GLU 3 3 5984 1 . ARG 4 4 5984 1 . ARG 5 5 5984 1 . TRP 6 6 5984 1 . MET 7 7 5984 1 . VAL 8 8 5984 1 . GLN 9 9 5984 1 . CYS 10 10 5984 1 . GLY 11 11 5984 1 . SER 12 12 5984 1 . PHE 13 13 5984 1 . ARG 14 14 5984 1 . GLY 15 15 5984 1 . ALA 16 16 5984 1 . GLU 17 17 5984 1 . GLN 18 18 5984 1 . ALA 19 19 5984 1 . GLU 20 20 5984 1 . THR 21 21 5984 1 . VAL 22 22 5984 1 . ARG 23 23 5984 1 . ALA 24 24 5984 1 . GLN 25 25 5984 1 . LEU 26 26 5984 1 . ALA 27 27 5984 1 . PHE 28 28 5984 1 . GLU 29 29 5984 1 . GLY 30 30 5984 1 . PHE 31 31 5984 1 . ASP 32 32 5984 1 . SER 33 33 5984 1 . LYS 34 34 5984 1 . ILE 35 35 5984 1 . THR 36 36 5984 1 . THR 37 37 5984 1 . ASN 38 38 5984 1 . ASN 39 39 5984 1 . GLY 40 40 5984 1 . TRP 41 41 5984 1 . ASN 42 42 5984 1 . ARG 43 43 5984 1 . VAL 44 44 5984 1 . VAL 45 45 5984 1 . ILE 46 46 5984 1 . GLY 47 47 5984 1 . PRO 48 48 5984 1 . VAL 49 49 5984 1 . LYS 50 50 5984 1 . GLY 51 51 5984 1 . LYS 52 52 5984 1 . GLU 53 53 5984 1 . ASN 54 54 5984 1 . ALA 55 55 5984 1 . ASP 56 56 5984 1 . SER 57 57 5984 1 . THR 58 58 5984 1 . LEU 59 59 5984 1 . ASN 60 60 5984 1 . ARG 61 61 5984 1 . LEU 62 62 5984 1 . LYS 63 63 5984 1 . MET 64 64 5984 1 . ALA 65 65 5984 1 . GLY 66 66 5984 1 . HIS 67 67 5984 1 . THR 68 68 5984 1 . ASN 69 69 5984 1 . CYS 70 70 5984 1 . ILE 71 71 5984 1 . ARG 72 72 5984 1 . LEU 73 73 5984 1 . ALA 74 74 5984 1 . ALA 75 75 5984 1 . GLY 76 76 5984 1 . GLY 77 77 5984 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 5984 _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 $FtsN . 562 . . 'Escherichia coli' 'Escherichia coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 5984 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 5984 _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 $FtsN . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5984 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . 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 FtsN '[U-98% 15N]' . . 1 $FtsN . . . 0.01 0.03 mM . . . . 5984 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5984 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 5984 1 temperature 300 0.2 K 5984 1 stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Software.Sf_category software _Software.Sf_framecode xwin-nmr _Software.Entry_ID 5984 _Software.ID 1 _Software.Name xwin-nmr _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 5984 1 processing 5984 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5984 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details ; Goddard, T.D., and Kneller, D.G. SPARKY 3. San Fransisco: Univeristy of California ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 5984 2 processing 5984 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5984 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5984 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5984 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5984 _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 NMR_spectrometer_1 Bruker Avance . 800 . . . 5984 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5984 1 3 NMR_spectrometer_3 Bruker DRX . 500 . . . 5984 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 5984 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D (1H, 1H) NOESY,' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 2 '2D (1H, 1H) TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 3 '2D (1H, 1H) DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 4 '2D 15N-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 5 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 6 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 7 '3D 15N-HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5984 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D (1H, 1H) NOESY,' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D (1H, 1H) TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D (1H, 1H) DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 15N-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5984 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N-HSQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5984 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5984 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 5984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5984 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.41 0.01 . 1 . . . . 243 . . . 5984 1 2 . 1 1 2 2 ASP H H 1 8.47 0.01 . 1 . . . . 244 . . . 5984 1 3 . 1 1 2 2 ASP HA H 1 4.72 0.01 . 1 . . . . 244 . . . 5984 1 4 . 1 1 2 2 ASP HB2 H 1 2.83 0.01 . 2 . . . . 244 . . . 5984 1 5 . 1 1 2 2 ASP HB3 H 1 2.93 0.01 . 2 . . . . 244 . . . 5984 1 6 . 1 1 2 2 ASP N N 15 121.8 0.1 . 1 . . . . 244 . . . 5984 1 7 . 1 1 3 3 GLU H H 1 8.63 0.01 . 1 . . . . 245 . . . 5984 1 8 . 1 1 3 3 GLU HA H 1 4.44 0.01 . 1 . . . . 245 . . . 5984 1 9 . 1 1 3 3 GLU HB2 H 1 1.90 0.01 . 1 . . . . 245 . . . 5984 1 10 . 1 1 3 3 GLU HB3 H 1 1.90 0.01 . 1 . . . . 245 . . . 5984 1 11 . 1 1 3 3 GLU HG2 H 1 2.22 0.01 . 2 . . . . 245 . . . 5984 1 12 . 1 1 3 3 GLU HG3 H 1 2.35 0.01 . 2 . . . . 245 . . . 5984 1 13 . 1 1 3 3 GLU N N 15 123.3 0.1 . 1 . . . . 245 . . . 5984 1 14 . 1 1 4 4 ARG H H 1 8.17 0.01 . 1 . . . . 246 . . . 5984 1 15 . 1 1 4 4 ARG HA H 1 4.15 0.01 . 1 . . . . 246 . . . 5984 1 16 . 1 1 4 4 ARG HB2 H 1 1.77 0.01 . 1 . . . . 246 . . . 5984 1 17 . 1 1 4 4 ARG HB3 H 1 1.77 0.01 . 1 . . . . 246 . . . 5984 1 18 . 1 1 4 4 ARG HG2 H 1 1.52 0.01 . 1 . . . . 246 . . . 5984 1 19 . 1 1 4 4 ARG HG3 H 1 1.52 0.01 . 1 . . . . 246 . . . 5984 1 20 . 1 1 4 4 ARG HD2 H 1 2.98 0.01 . 1 . . . . 246 . . . 5984 1 21 . 1 1 4 4 ARG HD3 H 1 2.98 0.01 . 1 . . . . 246 . . . 5984 1 22 . 1 1 4 4 ARG N N 15 121.5 0.1 . 1 . . . . 246 . . . 5984 1 23 . 1 1 5 5 ARG H H 1 8.21 0.01 . 1 . . . . 247 . . . 5984 1 24 . 1 1 5 5 ARG HA H 1 5.00 0.01 . 1 . . . . 247 . . . 5984 1 25 . 1 1 5 5 ARG HB2 H 1 1.68 0.01 . 1 . . . . 247 . . . 5984 1 26 . 1 1 5 5 ARG HB3 H 1 1.68 0.01 . 1 . . . . 247 . . . 5984 1 27 . 1 1 5 5 ARG HG2 H 1 1.51 0.01 . 1 . . . . 247 . . . 5984 1 28 . 1 1 5 5 ARG HG3 H 1 1.51 0.01 . 1 . . . . 247 . . . 5984 1 29 . 1 1 5 5 ARG HD2 H 1 3.09 0.01 . 2 . . . . 247 . . . 5984 1 30 . 1 1 5 5 ARG HD3 H 1 3.16 0.01 . 2 . . . . 247 . . . 5984 1 31 . 1 1 5 5 ARG N N 15 119.8 0.1 . 1 . . . . 247 . . . 5984 1 32 . 1 1 6 6 TRP H H 1 8.94 0.01 . 1 . . . . 248 . . . 5984 1 33 . 1 1 6 6 TRP HA H 1 5.08 0.01 . 1 . . . . 248 . . . 5984 1 34 . 1 1 6 6 TRP HB2 H 1 2.71 0.01 . 2 . . . . 248 . . . 5984 1 35 . 1 1 6 6 TRP HB3 H 1 3.10 0.01 . 2 . . . . 248 . . . 5984 1 36 . 1 1 6 6 TRP HD1 H 1 6.96 0.01 . 1 . . . . 248 . . . 5984 1 37 . 1 1 6 6 TRP HE1 H 1 9.96 0.01 . 1 . . . . 248 . . . 5984 1 38 . 1 1 6 6 TRP HE3 H 1 7.39 0.01 . 1 . . . . 248 . . . 5984 1 39 . 1 1 6 6 TRP HZ2 H 1 7.44 0.01 . 1 . . . . 248 . . . 5984 1 40 . 1 1 6 6 TRP HZ3 H 1 7.11 0.01 . 1 . . . . 248 . . . 5984 1 41 . 1 1 6 6 TRP HH2 H 1 7.26 0.01 . 1 . . . . 248 . . . 5984 1 42 . 1 1 6 6 TRP N N 15 120.7 0.1 . 1 . . . . 248 . . . 5984 1 43 . 1 1 6 6 TRP NE1 N 15 129.1 0.1 . 1 . . . . 248 . . . 5984 1 44 . 1 1 7 7 MET H H 1 9.67 0.01 . 1 . . . . 249 . . . 5984 1 45 . 1 1 7 7 MET HA H 1 5.29 0.01 . 1 . . . . 249 . . . 5984 1 46 . 1 1 7 7 MET HB2 H 1 1.93 0.01 . 1 . . . . 249 . . . 5984 1 47 . 1 1 7 7 MET HB3 H 1 1.93 0.01 . 1 . . . . 249 . . . 5984 1 48 . 1 1 7 7 MET HG2 H 1 2.37 0.01 . 2 . . . . 249 . . . 5984 1 49 . 1 1 7 7 MET HG3 H 1 2.57 0.01 . 2 . . . . 249 . . . 5984 1 50 . 1 1 7 7 MET N N 15 119.8 0.1 . 1 . . . . 249 . . . 5984 1 51 . 1 1 8 8 VAL H H 1 8.95 0.01 . 1 . . . . 250 . . . 5984 1 52 . 1 1 8 8 VAL HA H 1 4.99 0.01 . 1 . . . . 250 . . . 5984 1 53 . 1 1 8 8 VAL HB H 1 1.99 0.01 . 2 . . . . 250 . . . 5984 1 54 . 1 1 8 8 VAL HG11 H 1 0.85 0.01 . 2 . . . . 250 . . . 5984 1 55 . 1 1 8 8 VAL HG12 H 1 0.85 0.01 . 2 . . . . 250 . . . 5984 1 56 . 1 1 8 8 VAL HG13 H 1 0.85 0.01 . 2 . . . . 250 . . . 5984 1 57 . 1 1 8 8 VAL HG21 H 1 0.74 0.01 . 2 . . . . 250 . . . 5984 1 58 . 1 1 8 8 VAL HG22 H 1 0.74 0.01 . 2 . . . . 250 . . . 5984 1 59 . 1 1 8 8 VAL HG23 H 1 0.74 0.01 . 2 . . . . 250 . . . 5984 1 60 . 1 1 8 8 VAL N N 15 122.0 0.1 . 1 . . . . 250 . . . 5984 1 61 . 1 1 9 9 GLN H H 1 9.25 0.01 . 1 . . . . 251 . . . 5984 1 62 . 1 1 9 9 GLN HA H 1 5.35 0.01 . 1 . . . . 251 . . . 5984 1 63 . 1 1 9 9 GLN HB2 H 1 1.90 0.01 . 2 . . . . 251 . . . 5984 1 64 . 1 1 9 9 GLN HB3 H 1 2.10 0.01 . 2 . . . . 251 . . . 5984 1 65 . 1 1 9 9 GLN HG2 H 1 2.10 0.01 . 1 . . . . 251 . . . 5984 1 66 . 1 1 9 9 GLN HG3 H 1 2.10 0.01 . 1 . . . . 251 . . . 5984 1 67 . 1 1 9 9 GLN HE21 H 1 6.72 0.01 . 1 . . . . 251 . . . 5984 1 68 . 1 1 9 9 GLN HE22 H 1 7.01 0.01 . 1 . . . . 251 . . . 5984 1 69 . 1 1 9 9 GLN N N 15 127.5 0.1 . 1 . . . . 251 . . . 5984 1 70 . 1 1 10 10 CYS H H 1 9.27 0.01 . 1 . . . . 252 . . . 5984 1 71 . 1 1 10 10 CYS HA H 1 4.94 0.01 . 1 . . . . 252 . . . 5984 1 72 . 1 1 10 10 CYS HB2 H 1 2.30 0.01 . 2 . . . . 252 . . . 5984 1 73 . 1 1 10 10 CYS HB3 H 1 3.13 0.01 . 2 . . . . 252 . . . 5984 1 74 . 1 1 10 10 CYS N N 15 126.5 0.1 . 1 . . . . 252 . . . 5984 1 75 . 1 1 11 11 GLY H H 1 7.78 0.01 . 1 . . . . 253 . . . 5984 1 76 . 1 1 11 11 GLY HA2 H 1 3.54 0.01 . 2 . . . . 253 . . . 5984 1 77 . 1 1 11 11 GLY HA3 H 1 4.30 0.01 . 2 . . . . 253 . . . 5984 1 78 . 1 1 11 11 GLY N N 15 108.9 0.01 . 1 . . . . 253 . . . 5984 1 79 . 1 1 12 12 SER H H 1 7.18 0.01 . 1 . . . . 254 . . . 5984 1 80 . 1 1 12 12 SER HA H 1 4.97 0.01 . 1 . . . . 254 . . . 5984 1 81 . 1 1 12 12 SER HB2 H 1 3.25 0.01 . 2 . . . . 254 . . . 5984 1 82 . 1 1 12 12 SER HB3 H 1 3.38 0.01 . 2 . . . . 254 . . . 5984 1 83 . 1 1 12 12 SER N N 15 114.5 0.1 . 1 . . . . 254 . . . 5984 1 84 . 1 1 13 13 PHE H H 1 9.24 0.01 . 1 . . . . 255 . . . 5984 1 85 . 1 1 13 13 PHE HA H 1 5.28 0.01 . 1 . . . . 255 . . . 5984 1 86 . 1 1 13 13 PHE HB2 H 1 2.87 0.01 . 2 . . . . 255 . . . 5984 1 87 . 1 1 13 13 PHE HB3 H 1 3.65 0.01 . 2 . . . . 255 . . . 5984 1 88 . 1 1 13 13 PHE HD1 H 1 7.33 0.01 . 1 . . . . 255 . . . 5984 1 89 . 1 1 13 13 PHE HD2 H 1 7.33 0.01 . 1 . . . . 255 . . . 5984 1 90 . 1 1 13 13 PHE HE1 H 1 7.36 0.01 . 1 . . . . 255 . . . 5984 1 91 . 1 1 13 13 PHE HE2 H 1 7.36 0.01 . 1 . . . . 255 . . . 5984 1 92 . 1 1 13 13 PHE HZ H 1 7.51 0.01 . 1 . . . . 255 . . . 5984 1 93 . 1 1 13 13 PHE N N 15 122.7 0.1 . 1 . . . . 255 . . . 5984 1 94 . 1 1 14 14 ARG H H 1 8.43 0.01 . 1 . . . . 256 . . . 5984 1 95 . 1 1 14 14 ARG HA H 1 3.86 0.01 . 1 . . . . 256 . . . 5984 1 96 . 1 1 14 14 ARG HB2 H 1 1.64 0.01 . 1 . . . . 256 . . . 5984 1 97 . 1 1 14 14 ARG HB3 H 1 1.64 0.01 . 1 . . . . 256 . . . 5984 1 98 . 1 1 14 14 ARG HG2 H 1 1.52 0.01 . 1 . . . . 256 . . . 5984 1 99 . 1 1 14 14 ARG HG3 H 1 1.52 0.01 . 1 . . . . 256 . . . 5984 1 100 . 1 1 14 14 ARG N N 15 120.4 0.1 . 1 . . . . 256 . . . 5984 1 101 . 1 1 15 15 GLY H H 1 8.34 0.01 . 1 . . . . 257 . . . 5984 1 102 . 1 1 15 15 GLY HA2 H 1 3.87 0.01 . 2 . . . . 257 . . . 5984 1 103 . 1 1 15 15 GLY HA3 H 1 4.36 0.01 . 2 . . . . 257 . . . 5984 1 104 . 1 1 15 15 GLY N N 15 106.5 0.1 . 1 . . . . 257 . . . 5984 1 105 . 1 1 16 16 ALA H H 1 8.86 0.01 . 1 . . . . 258 . . . 5984 1 106 . 1 1 16 16 ALA HA H 1 3.81 0.01 . 1 . . . . 258 . . . 5984 1 107 . 1 1 16 16 ALA HB1 H 1 1.45 0.01 . 1 . . . . 258 . . . 5984 1 108 . 1 1 16 16 ALA HB2 H 1 1.45 0.01 . 1 . . . . 258 . . . 5984 1 109 . 1 1 16 16 ALA HB3 H 1 1.45 0.01 . 1 . . . . 258 . . . 5984 1 110 . 1 1 16 16 ALA N N 15 129.2 0.1 . 1 . . . . 258 . . . 5984 1 111 . 1 1 17 17 GLU H H 1 9.12 0.01 . 1 . . . . 259 . . . 5984 1 112 . 1 1 17 17 GLU HA H 1 4.01 0.01 . 1 . . . . 259 . . . 5984 1 113 . 1 1 17 17 GLU HB2 H 1 1.99 0.01 . 2 . . . . 259 . . . 5984 1 114 . 1 1 17 17 GLU HB3 H 1 2.05 0.01 . 2 . . . . 259 . . . 5984 1 115 . 1 1 17 17 GLU HG2 H 1 2.33 0.01 . 1 . . . . 259 . . . 5984 1 116 . 1 1 17 17 GLU HG3 H 1 2.33 0.01 . 1 . . . . 259 . . . 5984 1 117 . 1 1 17 17 GLU N N 15 118.4 0.1 . 1 . . . . 259 . . . 5984 1 118 . 1 1 18 18 GLN H H 1 7.69 0.01 . 1 . . . . 260 . . . 5984 1 119 . 1 1 18 18 GLN HA H 1 3.90 0.01 . 1 . . . . 260 . . . 5984 1 120 . 1 1 18 18 GLN HB2 H 1 1.64 0.01 . 2 . . . . 260 . . . 5984 1 121 . 1 1 18 18 GLN HB3 H 1 2.06 0.01 . 2 . . . . 260 . . . 5984 1 122 . 1 1 18 18 GLN HG2 H 1 2.17 0.01 . 2 . . . . 260 . . . 5984 1 123 . 1 1 18 18 GLN HG3 H 1 2.24 0.01 . 2 . . . . 260 . . . 5984 1 124 . 1 1 18 18 GLN HE21 H 1 7.50 0.01 . 1 . . . . 260 . . . 5984 1 125 . 1 1 18 18 GLN HE22 H 1 7.03 0.01 . 1 . . . . 260 . . . 5984 1 126 . 1 1 18 18 GLN N N 15 119.9 0.1 . 1 . . . . 260 . . . 5984 1 127 . 1 1 19 19 ALA H H 1 7.05 0.01 . 1 . . . . 261 . . . 5984 1 128 . 1 1 19 19 ALA HA H 1 3.51 0.01 . 1 . . . . 261 . . . 5984 1 129 . 1 1 19 19 ALA HB1 H 1 1.41 0.01 . 1 . . . . 261 . . . 5984 1 130 . 1 1 19 19 ALA HB2 H 1 1.41 0.01 . 1 . . . . 261 . . . 5984 1 131 . 1 1 19 19 ALA HB3 H 1 1.41 0.01 . 1 . . . . 261 . . . 5984 1 132 . 1 1 19 19 ALA N N 15 119.5 0.1 . 1 . . . . 261 . . . 5984 1 133 . 1 1 20 20 GLU H H 1 8.22 0.01 . 1 . . . . 262 . . . 5984 1 134 . 1 1 20 20 GLU HA H 1 4.35 0.01 . 1 . . . . 262 . . . 5984 1 135 . 1 1 20 20 GLU HB2 H 1 1.93 0.01 . 2 . . . . 262 . . . 5984 1 136 . 1 1 20 20 GLU HB3 H 1 2.06 0.01 . 2 . . . . 262 . . . 5984 1 137 . 1 1 20 20 GLU HG2 H 1 2.21 0.01 . 2 . . . . 262 . . . 5984 1 138 . 1 1 20 20 GLU HG3 H 1 2.40 0.01 . 2 . . . . 262 . . . 5984 1 139 . 1 1 20 20 GLU N N 15 118.7 0.1 . 1 . . . . 262 . . . 5984 1 140 . 1 1 21 21 THR H H 1 7.87 0.01 . 1 . . . . 263 . . . 5984 1 141 . 1 1 21 21 THR HA H 1 3.96 0.01 . 1 . . . . 263 . . . 5984 1 142 . 1 1 21 21 THR HB H 1 4.19 0.01 . 1 . . . . 263 . . . 5984 1 143 . 1 1 21 21 THR HG21 H 1 1.26 0.01 . 1 . . . . 263 . . . 5984 1 144 . 1 1 21 21 THR HG22 H 1 1.26 0.01 . 1 . . . . 263 . . . 5984 1 145 . 1 1 21 21 THR HG23 H 1 1.26 0.01 . 1 . . . . 263 . . . 5984 1 146 . 1 1 21 21 THR N N 15 116.4 0.1 . 1 . . . . 263 . . . 5984 1 147 . 1 1 22 22 VAL H H 1 7.18 0.01 . 1 . . . . 264 . . . 5984 1 148 . 1 1 22 22 VAL HA H 1 3.80 0.01 . 1 . . . . 264 . . . 5984 1 149 . 1 1 22 22 VAL HB H 1 2.05 0.01 . 1 . . . . 264 . . . 5984 1 150 . 1 1 22 22 VAL HG11 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 151 . 1 1 22 22 VAL HG12 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 152 . 1 1 22 22 VAL HG13 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 153 . 1 1 22 22 VAL HG21 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 154 . 1 1 22 22 VAL HG22 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 155 . 1 1 22 22 VAL HG23 H 1 1.06 0.01 . 1 . . . . 264 . . . 5984 1 156 . 1 1 22 22 VAL N N 15 122.5 0.1 . 1 . . . . 264 . . . 5984 1 157 . 1 1 23 23 ARG H H 1 8.79 0.01 . 1 . . . . 265 . . . 5984 1 158 . 1 1 23 23 ARG HA H 1 3.58 0.01 . 1 . . . . 265 . . . 5984 1 159 . 1 1 23 23 ARG HB2 H 1 1.54 0.01 . 2 . . . . 265 . . . 5984 1 160 . 1 1 23 23 ARG HB3 H 1 1.83 0.01 . 2 . . . . 265 . . . 5984 1 161 . 1 1 23 23 ARG HG2 H 1 1.98 0.01 . 2 . . . . 265 . . . 5984 1 162 . 1 1 23 23 ARG HG3 H 1 2.04 0.01 . 2 . . . . 265 . . . 5984 1 163 . 1 1 23 23 ARG N N 15 121.6 0.1 . 1 . . . . 265 . . . 5984 1 164 . 1 1 24 24 ALA H H 1 8.97 0.01 . 1 . . . . 266 . . . 5984 1 165 . 1 1 24 24 ALA HA H 1 4.06 0.01 . 1 . . . . 266 . . . 5984 1 166 . 1 1 24 24 ALA HB1 H 1 1.54 0.01 . 1 . . . . 266 . . . 5984 1 167 . 1 1 24 24 ALA HB2 H 1 1.54 0.01 . 1 . . . . 266 . . . 5984 1 168 . 1 1 24 24 ALA HB3 H 1 1.54 0.01 . 1 . . . . 266 . . . 5984 1 169 . 1 1 24 24 ALA N N 15 121.6 0.1 . 1 . . . . 266 . . . 5984 1 170 . 1 1 25 25 GLN H H 1 7.85 0.01 . 1 . . . . 267 . . . 5984 1 171 . 1 1 25 25 GLN HA H 1 4.24 0.01 . 1 . . . . 267 . . . 5984 1 172 . 1 1 25 25 GLN HB2 H 1 2.28 0.01 . 2 . . . . 267 . . . 5984 1 173 . 1 1 25 25 GLN HB3 H 1 2.39 0.01 . 2 . . . . 267 . . . 5984 1 174 . 1 1 25 25 GLN HG2 H 1 2.53 0.01 . 2 . . . . 267 . . . 5984 1 175 . 1 1 25 25 GLN HG3 H 1 2.63 0.01 . 2 . . . . 267 . . . 5984 1 176 . 1 1 25 25 GLN N N 15 121.1 0.1 . 1 . . . . 267 . . . 5984 1 177 . 1 1 26 26 LEU H H 1 8.31 0.01 . 1 . . . . 268 . . . 5984 1 178 . 1 1 26 26 LEU HA H 1 4.23 0.01 . 1 . . . . 268 . . . 5984 1 179 . 1 1 26 26 LEU HB2 H 1 1.31 0.01 . 2 . . . . 268 . . . 5984 1 180 . 1 1 26 26 LEU HB3 H 1 1.89 0.01 . 2 . . . . 268 . . . 5984 1 181 . 1 1 26 26 LEU HG H 1 1.62 0.01 . 1 . . . . 268 . . . 5984 1 182 . 1 1 26 26 LEU HD11 H 1 0.06 0.01 . 2 . . . . 268 . . . 5984 1 183 . 1 1 26 26 LEU HD12 H 1 0.06 0.01 . 2 . . . . 268 . . . 5984 1 184 . 1 1 26 26 LEU HD13 H 1 0.06 0.01 . 2 . . . . 268 . . . 5984 1 185 . 1 1 26 26 LEU HD21 H 1 0.50 0.01 . 2 . . . . 268 . . . 5984 1 186 . 1 1 26 26 LEU HD22 H 1 0.50 0.01 . 2 . . . . 268 . . . 5984 1 187 . 1 1 26 26 LEU HD23 H 1 0.50 0.01 . 2 . . . . 268 . . . 5984 1 188 . 1 1 26 26 LEU N N 15 118.1 0.1 . 1 . . . . 268 . . . 5984 1 189 . 1 1 27 27 ALA H H 1 8.27 0.01 . 1 . . . . 269 . . . 5984 1 190 . 1 1 27 27 ALA HA H 1 4.89 0.01 . 1 . . . . 269 . . . 5984 1 191 . 1 1 27 27 ALA HB1 H 1 1.63 0.01 . 1 . . . . 269 . . . 5984 1 192 . 1 1 27 27 ALA HB2 H 1 1.63 0.01 . 1 . . . . 269 . . . 5984 1 193 . 1 1 27 27 ALA HB3 H 1 1.63 0.01 . 1 . . . . 269 . . . 5984 1 194 . 1 1 27 27 ALA N N 15 122.6 0.1 . 1 . . . . 269 . . . 5984 1 195 . 1 1 28 28 PHE H H 1 8.38 0.01 . 1 . . . . 270 . . . 5984 1 196 . 1 1 28 28 PHE HA H 1 4.41 0.01 . 1 . . . . 270 . . . 5984 1 197 . 1 1 28 28 PHE HB2 H 1 3.43 0.01 . 2 . . . . 270 . . . 5984 1 198 . 1 1 28 28 PHE HB3 H 1 3.54 0.01 . 2 . . . . 270 . . . 5984 1 199 . 1 1 28 28 PHE HD1 H 1 7.40 0.01 . 1 . . . . 270 . . . 5984 1 200 . 1 1 28 28 PHE HD2 H 1 7.40 0.01 . 1 . . . . 270 . . . 5984 1 201 . 1 1 28 28 PHE HE1 H 1 7.40 0.01 . 1 . . . . 270 . . . 5984 1 202 . 1 1 28 28 PHE HE2 H 1 7.40 0.01 . 1 . . . . 270 . . . 5984 1 203 . 1 1 28 28 PHE HZ H 1 7.40 0.01 . 1 . . . . 270 . . . 5984 1 204 . 1 1 28 28 PHE N N 15 122.8 0.1 . 1 . . . . 270 . . . 5984 1 205 . 1 1 29 29 GLU H H 1 7.82 0.01 . 1 . . . . 271 . . . 5984 1 206 . 1 1 29 29 GLU HA H 1 4.14 0.01 . 1 . . . . 271 . . . 5984 1 207 . 1 1 29 29 GLU HB2 H 1 2.62 0.01 . 1 . . . . 271 . . . 5984 1 208 . 1 1 29 29 GLU HB3 H 1 2.62 0.01 . 1 . . . . 271 . . . 5984 1 209 . 1 1 29 29 GLU N N 15 117.2 0.1 . 1 . . . . 271 . . . 5984 1 210 . 1 1 30 30 GLY H H 1 7.81 0.01 . 1 . . . . 272 . . . 5984 1 211 . 1 1 30 30 GLY HA2 H 1 3.63 0.01 . 2 . . . . 272 . . . 5984 1 212 . 1 1 30 30 GLY HA3 H 1 4.05 0.01 . 2 . . . . 272 . . . 5984 1 213 . 1 1 30 30 GLY N N 15 105.9 0.1 . 1 . . . . 272 . . . 5984 1 214 . 1 1 31 31 PHE H H 1 8.42 0.01 . 1 . . . . 273 . . . 5984 1 215 . 1 1 31 31 PHE HA H 1 4.64 0.01 . 1 . . . . 273 . . . 5984 1 216 . 1 1 31 31 PHE HB2 H 1 2.69 0.01 . 2 . . . . 273 . . . 5984 1 217 . 1 1 31 31 PHE HB3 H 1 2.77 0.01 . 2 . . . . 273 . . . 5984 1 218 . 1 1 31 31 PHE HD1 H 1 7.42 0.01 . 1 . . . . 273 . . . 5984 1 219 . 1 1 31 31 PHE HD2 H 1 7.42 0.01 . 1 . . . . 273 . . . 5984 1 220 . 1 1 31 31 PHE HE1 H 1 7.37 0.01 . 1 . . . . 273 . . . 5984 1 221 . 1 1 31 31 PHE HE2 H 1 7.37 0.01 . 1 . . . . 273 . . . 5984 1 222 . 1 1 31 31 PHE HZ H 1 7.04 0.01 . 1 . . . . 273 . . . 5984 1 223 . 1 1 31 31 PHE N N 15 119.8 0.1 . 1 . . . . 273 . . . 5984 1 224 . 1 1 32 32 ASP H H 1 8.98 0.01 . 1 . . . . 274 . . . 5984 1 225 . 1 1 32 32 ASP HA H 1 4.87 0.01 . 1 . . . . 274 . . . 5984 1 226 . 1 1 32 32 ASP HB2 H 1 2.63 0.01 . 2 . . . . 274 . . . 5984 1 227 . 1 1 32 32 ASP HB3 H 1 2.85 0.01 . 2 . . . . 274 . . . 5984 1 228 . 1 1 32 32 ASP N N 15 124.1 0.1 . 1 . . . . 274 . . . 5984 1 229 . 1 1 33 33 SER H H 1 7.94 0.01 . 1 . . . . 275 . . . 5984 1 230 . 1 1 33 33 SER HA H 1 5.01 0.01 . 1 . . . . 275 . . . 5984 1 231 . 1 1 33 33 SER HB2 H 1 3.54 0.01 . 2 . . . . 275 . . . 5984 1 232 . 1 1 33 33 SER HB3 H 1 3.66 0.01 . 2 . . . . 275 . . . 5984 1 233 . 1 1 33 33 SER N N 15 115.9 0.1 . 1 . . . . 275 . . . 5984 1 234 . 1 1 34 34 LYS H H 1 9.25 0.01 . 1 . . . . 276 . . . 5984 1 235 . 1 1 34 34 LYS HA H 1 4.74 0.01 . 1 . . . . 276 . . . 5984 1 236 . 1 1 34 34 LYS HB2 H 1 1.92 0.01 . 1 . . . . 276 . . . 5984 1 237 . 1 1 34 34 LYS HB3 H 1 1.92 0.01 . 1 . . . . 276 . . . 5984 1 238 . 1 1 34 34 LYS HG2 H 1 1.51 0.01 . 1 . . . . 276 . . . 5984 1 239 . 1 1 34 34 LYS HG3 H 1 1.51 0.01 . 1 . . . . 276 . . . 5984 1 240 . 1 1 34 34 LYS HD2 H 1 1.72 0.01 . 1 . . . . 276 . . . 5984 1 241 . 1 1 34 34 LYS HD3 H 1 1.72 0.01 . 1 . . . . 276 . . . 5984 1 242 . 1 1 34 34 LYS HE2 H 1 2.91 0.01 . 1 . . . . 276 . . . 5984 1 243 . 1 1 34 34 LYS HE3 H 1 2.96 0.01 . 1 . . . . 276 . . . 5984 1 244 . 1 1 34 34 LYS N N 15 121.5 0.1 . 1 . . . . 276 . . . 5984 1 245 . 1 1 35 35 ILE H H 1 8.54 0.01 . 1 . . . . 277 . . . 5984 1 246 . 1 1 35 35 ILE HA H 1 5.41 0.01 . 1 . . . . 277 . . . 5984 1 247 . 1 1 35 35 ILE HB H 1 1.69 0.01 . 1 . . . . 277 . . . 5984 1 248 . 1 1 35 35 ILE HG12 H 1 1.52 0.01 . 1 . . . . 277 . . . 5984 1 249 . 1 1 35 35 ILE HG13 H 1 1.52 0.01 . 1 . . . . 277 . . . 5984 1 250 . 1 1 35 35 ILE HG21 H 1 0.87 0.01 . 1 . . . . 277 . . . 5984 1 251 . 1 1 35 35 ILE HG22 H 1 0.87 0.01 . 1 . . . . 277 . . . 5984 1 252 . 1 1 35 35 ILE HG23 H 1 0.87 0.01 . 1 . . . . 277 . . . 5984 1 253 . 1 1 35 35 ILE HD11 H 1 0.89 0.01 . 1 . . . . 277 . . . 5984 1 254 . 1 1 35 35 ILE HD12 H 1 0.89 0.01 . 1 . . . . 277 . . . 5984 1 255 . 1 1 35 35 ILE HD13 H 1 0.89 0.01 . 1 . . . . 277 . . . 5984 1 256 . 1 1 35 35 ILE N N 15 119.6 0.1 . 1 . . . . 277 . . . 5984 1 257 . 1 1 36 36 THR H H 1 8.75 0.01 . 1 . . . . 278 . . . 5984 1 258 . 1 1 36 36 THR HA H 1 4.85 0.01 . 1 . . . . 278 . . . 5984 1 259 . 1 1 36 36 THR HB H 1 4.17 0.01 . 1 . . . . 278 . . . 5984 1 260 . 1 1 36 36 THR HG21 H 1 1.17 0.01 . 1 . . . . 278 . . . 5984 1 261 . 1 1 36 36 THR HG22 H 1 1.17 0.01 . 1 . . . . 278 . . . 5984 1 262 . 1 1 36 36 THR HG23 H 1 1.17 0.01 . 1 . . . . 278 . . . 5984 1 263 . 1 1 36 36 THR N N 15 121.6 0.1 . 1 . . . . 278 . . . 5984 1 264 . 1 1 37 37 THR H H 1 8.75 0.01 . 1 . . . . 279 . . . 5984 1 265 . 1 1 37 37 THR HA H 1 5.52 0.01 . 1 . . . . 279 . . . 5984 1 266 . 1 1 37 37 THR HB H 1 3.99 0.01 . 1 . . . . 279 . . . 5984 1 267 . 1 1 37 37 THR HG21 H 1 1.15 0.01 . 1 . . . . 279 . . . 5984 1 268 . 1 1 37 37 THR HG22 H 1 1.15 0.01 . 1 . . . . 279 . . . 5984 1 269 . 1 1 37 37 THR HG23 H 1 1.15 0.01 . 1 . . . . 279 . . . 5984 1 270 . 1 1 37 37 THR N N 15 120.0 0.1 . 1 . . . . 279 . . . 5984 1 271 . 1 1 38 38 ASN H H 1 8.64 0.01 . 1 . . . . 280 . . . 5984 1 272 . 1 1 38 38 ASN HA H 1 4.88 0.01 . 1 . . . . 280 . . . 5984 1 273 . 1 1 38 38 ASN HB2 H 1 2.71 0.01 . 2 . . . . 280 . . . 5984 1 274 . 1 1 38 38 ASN HB3 H 1 2.78 0.01 . 2 . . . . 280 . . . 5984 1 275 . 1 1 38 38 ASN N N 15 121.6 0.1 . 1 . . . . 280 . . . 5984 1 276 . 1 1 39 39 ASN HA H 1 4.48 0.01 . 1 . . . . 281 . . . 5984 1 277 . 1 1 39 39 ASN HB2 H 1 2.79 0.01 . 2 . . . . 281 . . . 5984 1 278 . 1 1 39 39 ASN HB3 H 1 3.25 0.01 . 2 . . . . 281 . . . 5984 1 279 . 1 1 39 39 ASN HD21 H 1 7.69 0.01 . 1 . . . . 281 . . . 5984 1 280 . 1 1 39 39 ASN HD22 H 1 6.97 0.01 . 1 . . . . 281 . . . 5984 1 281 . 1 1 40 40 GLY H H 1 8.73 0.01 . 1 . . . . 282 . . . 5984 1 282 . 1 1 40 40 GLY HA2 H 1 3.52 0.01 . 2 . . . . 282 . . . 5984 1 283 . 1 1 40 40 GLY HA3 H 1 3.99 0.01 . 2 . . . . 282 . . . 5984 1 284 . 1 1 40 40 GLY N N 15 103.8 0.1 . 1 . . . . 282 . . . 5984 1 285 . 1 1 41 41 TRP H H 1 7.95 0.01 . 1 . . . . 283 . . . 5984 1 286 . 1 1 41 41 TRP HA H 1 4.65 0.01 . 1 . . . . 283 . . . 5984 1 287 . 1 1 41 41 TRP HB2 H 1 3.04 0.01 . 2 . . . . 283 . . . 5984 1 288 . 1 1 41 41 TRP HB3 H 1 3.14 0.01 . 2 . . . . 283 . . . 5984 1 289 . 1 1 41 41 TRP HD1 H 1 7.24 0.01 . 1 . . . . 283 . . . 5984 1 290 . 1 1 41 41 TRP HE1 H 1 10.11 0.1 . 1 . . . . 283 . . . 5984 1 291 . 1 1 41 41 TRP HE3 H 1 7.50 0.01 . 1 . . . . 283 . . . 5984 1 292 . 1 1 41 41 TRP HZ2 H 1 7.50 0.01 . 1 . . . . 283 . . . 5984 1 293 . 1 1 41 41 TRP HZ3 H 1 7.04 0.01 . 1 . . . . 283 . . . 5984 1 294 . 1 1 41 41 TRP HH2 H 1 7.23 0.01 . 1 . . . . 283 . . . 5984 1 295 . 1 1 41 41 TRP N N 15 119.7 0.1 . 1 . . . . 283 . . . 5984 1 296 . 1 1 41 41 TRP NE1 N 15 128.8 0.1 . 1 . . . . 283 . . . 5984 1 297 . 1 1 42 42 ASN H H 1 9.18 0.01 . 1 . . . . 284 . . . 5984 1 298 . 1 1 42 42 ASN HA H 1 5.28 0.01 . 1 . . . . 284 . . . 5984 1 299 . 1 1 42 42 ASN HB2 H 1 3.02 0.01 . 1 . . . . 284 . . . 5984 1 300 . 1 1 42 42 ASN HB3 H 1 3.02 0.01 . 1 . . . . 284 . . . 5984 1 301 . 1 1 42 42 ASN HD21 H 1 7.08 0.01 . 1 . . . . 284 . . . 5984 1 302 . 1 1 42 42 ASN HD22 H 1 6.35 0.01 . 1 . . . . 284 . . . 5984 1 303 . 1 1 42 42 ASN N N 15 120.8 0.1 . 1 . . . . 284 . . . 5984 1 304 . 1 1 43 43 ARG H H 1 9.48 0.01 . 1 . . . . 285 . . . 5984 1 305 . 1 1 43 43 ARG HA H 1 5.22 0.01 . 1 . . . . 285 . . . 5984 1 306 . 1 1 43 43 ARG HB2 H 1 1.90 0.01 . 1 . . . . 285 . . . 5984 1 307 . 1 1 43 43 ARG HB3 H 1 1.90 0.01 . 1 . . . . 285 . . . 5984 1 308 . 1 1 43 43 ARG HG2 H 1 1.57 0.01 . 2 . . . . 285 . . . 5984 1 309 . 1 1 43 43 ARG HG3 H 1 1.66 0.01 . 2 . . . . 285 . . . 5984 1 310 . 1 1 43 43 ARG HD2 H 1 3.07 0.01 . 1 . . . . 285 . . . 5984 1 311 . 1 1 43 43 ARG HD3 H 1 3.07 0.01 . 1 . . . . 285 . . . 5984 1 312 . 1 1 43 43 ARG N N 15 125.0 0.1 . 1 . . . . 285 . . . 5984 1 313 . 1 1 44 44 VAL H H 1 8.03 0.01 . 1 . . . . 286 . . . 5984 1 314 . 1 1 44 44 VAL HA H 1 4.66 0.01 . 1 . . . . 286 . . . 5984 1 315 . 1 1 44 44 VAL HB H 1 1.99 0.01 . 1 . . . . 286 . . . 5984 1 316 . 1 1 44 44 VAL HG11 H 1 0.76 0.01 . 2 . . . . 286 . . . 5984 1 317 . 1 1 44 44 VAL HG12 H 1 0.76 0.01 . 2 . . . . 286 . . . 5984 1 318 . 1 1 44 44 VAL HG13 H 1 0.76 0.01 . 2 . . . . 286 . . . 5984 1 319 . 1 1 44 44 VAL HG21 H 1 1.08 0.01 . 2 . . . . 286 . . . 5984 1 320 . 1 1 44 44 VAL HG22 H 1 1.08 0.01 . 2 . . . . 286 . . . 5984 1 321 . 1 1 44 44 VAL HG23 H 1 1.08 0.01 . 2 . . . . 286 . . . 5984 1 322 . 1 1 44 44 VAL N N 15 123.2 0.1 . 1 . . . . 286 . . . 5984 1 323 . 1 1 45 45 VAL H H 1 9.18 0.01 . 1 . . . . 287 . . . 5984 1 324 . 1 1 45 45 VAL HA H 1 5.49 0.01 . 1 . . . . 287 . . . 5984 1 325 . 1 1 45 45 VAL HB H 1 2.13 0.01 . 1 . . . . 287 . . . 5984 1 326 . 1 1 45 45 VAL HG11 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 327 . 1 1 45 45 VAL HG12 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 328 . 1 1 45 45 VAL HG13 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 329 . 1 1 45 45 VAL HG21 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 330 . 1 1 45 45 VAL HG22 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 331 . 1 1 45 45 VAL HG23 H 1 0.77 0.01 . 1 . . . . 287 . . . 5984 1 332 . 1 1 45 45 VAL N N 15 121.9 0.1 . 1 . . . . 287 . . . 5984 1 333 . 1 1 46 46 ILE H H 1 9.26 0.01 . 1 . . . . 288 . . . 5984 1 334 . 1 1 46 46 ILE HA H 1 4.47 0.01 . 1 . . . . 288 . . . 5984 1 335 . 1 1 46 46 ILE HB H 1 1.56 0.01 . 1 . . . . 288 . . . 5984 1 336 . 1 1 46 46 ILE HG12 H 1 1.35 0.01 . 2 . . . . 288 . . . 5984 1 337 . 1 1 46 46 ILE HG13 H 1 1.12 0.01 . 2 . . . . 288 . . . 5984 1 338 . 1 1 46 46 ILE HG21 H 1 0.97 0.01 . 1 . . . . 288 . . . 5984 1 339 . 1 1 46 46 ILE HG22 H 1 0.97 0.01 . 1 . . . . 288 . . . 5984 1 340 . 1 1 46 46 ILE HG23 H 1 0.97 0.01 . 1 . . . . 288 . . . 5984 1 341 . 1 1 46 46 ILE HD11 H 1 0.65 0.01 . 1 . . . . 288 . . . 5984 1 342 . 1 1 46 46 ILE HD12 H 1 0.65 0.01 . 1 . . . . 288 . . . 5984 1 343 . 1 1 46 46 ILE HD13 H 1 0.65 0.01 . 1 . . . . 288 . . . 5984 1 344 . 1 1 46 46 ILE N N 15 123.3 0.1 . 1 . . . . 288 . . . 5984 1 345 . 1 1 47 47 GLY H H 1 8.81 0.01 . 1 . . . . 289 . . . 5984 1 346 . 1 1 47 47 GLY HA2 H 1 3.55 0.01 . 2 . . . . 289 . . . 5984 1 347 . 1 1 47 47 GLY HA3 H 1 5.06 0.01 . 2 . . . . 289 . . . 5984 1 348 . 1 1 47 47 GLY N N 15 113.6 0.1 . 1 . . . . 289 . . . 5984 1 349 . 1 1 48 48 PRO HA H 1 5.06 0.01 . 1 . . . . 290 . . . 5984 1 350 . 1 1 48 48 PRO HB2 H 1 2.21 0.01 . 1 . . . . 290 . . . 5984 1 351 . 1 1 48 48 PRO HB3 H 1 2.21 0.01 . 1 . . . . 290 . . . 5984 1 352 . 1 1 48 48 PRO HG2 H 1 1.90 0.01 . 1 . . . . 290 . . . 5984 1 353 . 1 1 48 48 PRO HG3 H 1 1.90 0.01 . 1 . . . . 290 . . . 5984 1 354 . 1 1 48 48 PRO HD2 H 1 3.55 0.01 . 1 . . . . 290 . . . 5984 1 355 . 1 1 48 48 PRO HD3 H 1 3.55 0.01 . 1 . . . . 290 . . . 5984 1 356 . 1 1 49 49 VAL H H 1 9.70 0.01 . 1 . . . . 291 . . . 5984 1 357 . 1 1 49 49 VAL HA H 1 4.60 0.01 . 1 . . . . 291 . . . 5984 1 358 . 1 1 49 49 VAL HB H 1 2.14 0.01 . 1 . . . . 291 . . . 5984 1 359 . 1 1 49 49 VAL HG11 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 360 . 1 1 49 49 VAL HG12 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 361 . 1 1 49 49 VAL HG13 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 362 . 1 1 49 49 VAL HG21 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 363 . 1 1 49 49 VAL HG22 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 364 . 1 1 49 49 VAL HG23 H 1 0.97 0.01 . 1 . . . . 291 . . . 5984 1 365 . 1 1 49 49 VAL N N 15 120.9 0.1 . 1 . . . . 291 . . . 5984 1 366 . 1 1 50 50 LYS H H 1 8.96 0.01 . 1 . . . . 292 . . . 5984 1 367 . 1 1 50 50 LYS HA H 1 4.59 0.01 . 1 . . . . 292 . . . 5984 1 368 . 1 1 50 50 LYS HB2 H 1 1.95 0.01 . 1 . . . . 292 . . . 5984 1 369 . 1 1 50 50 LYS HB3 H 1 1.95 0.01 . 1 . . . . 292 . . . 5984 1 370 . 1 1 50 50 LYS HG2 H 1 1.38 0.01 . 1 . . . . 292 . . . 5984 1 371 . 1 1 50 50 LYS HG3 H 1 1.38 0.01 . 1 . . . . 292 . . . 5984 1 372 . 1 1 50 50 LYS HD2 H 1 1.74 0.01 . 1 . . . . 292 . . . 5984 1 373 . 1 1 50 50 LYS HD3 H 1 1.74 0.01 . 1 . . . . 292 . . . 5984 1 374 . 1 1 50 50 LYS HE2 H 1 3.02 0.01 . 1 . . . . 292 . . . 5984 1 375 . 1 1 50 50 LYS HE3 H 1 3.02 0.01 . 1 . . . . 292 . . . 5984 1 376 . 1 1 50 50 LYS N N 15 126.2 0.1 . 1 . . . . 292 . . . 5984 1 377 . 1 1 51 51 GLY H H 1 9.06 0.01 . 1 . . . . 293 . . . 5984 1 378 . 1 1 51 51 GLY HA2 H 1 4.00 0.01 . 2 . . . . 293 . . . 5984 1 379 . 1 1 51 51 GLY HA3 H 1 4.67 0.01 . 2 . . . . 293 . . . 5984 1 380 . 1 1 51 51 GLY N N 15 115.2 0.1 . 1 . . . . 293 . . . 5984 1 381 . 1 1 52 52 LYS H H 1 9.24 0.01 . 1 . . . . 294 . . . 5984 1 382 . 1 1 52 52 LYS HA H 1 4.80 0.01 . 1 . . . . 294 . . . 5984 1 383 . 1 1 52 52 LYS HB2 H 1 1.91 0.01 . 1 . . . . 294 . . . 5984 1 384 . 1 1 52 52 LYS HB3 H 1 1.91 0.01 . 1 . . . . 294 . . . 5984 1 385 . 1 1 52 52 LYS HG2 H 1 1.41 0.01 . 1 . . . . 294 . . . 5984 1 386 . 1 1 52 52 LYS HG3 H 1 1.41 0.01 . 1 . . . . 294 . . . 5984 1 387 . 1 1 52 52 LYS HD2 H 1 1.68 0.01 . 1 . . . . 294 . . . 5984 1 388 . 1 1 52 52 LYS HD3 H 1 1.68 0.01 . 1 . . . . 294 . . . 5984 1 389 . 1 1 52 52 LYS HE2 H 1 2.81 0.01 . 1 . . . . 294 . . . 5984 1 390 . 1 1 52 52 LYS HE3 H 1 2.81 0.01 . 1 . . . . 294 . . . 5984 1 391 . 1 1 52 52 LYS N N 15 129.5 0.1 . 1 . . . . 294 . . . 5984 1 392 . 1 1 53 53 GLU H H 1 9.16 0.01 . 1 . . . . 295 . . . 5984 1 393 . 1 1 53 53 GLU HA H 1 4.09 0.01 . 1 . . . . 295 . . . 5984 1 394 . 1 1 53 53 GLU HB2 H 1 2.05 0.01 . 1 . . . . 295 . . . 5984 1 395 . 1 1 53 53 GLU HB3 H 1 2.05 0.01 . 1 . . . . 295 . . . 5984 1 396 . 1 1 53 53 GLU HG2 H 1 2.37 0.01 . 1 . . . . 295 . . . 5984 1 397 . 1 1 53 53 GLU HG3 H 1 2.37 0.01 . 1 . . . . 295 . . . 5984 1 398 . 1 1 53 53 GLU N N 15 117.9 0.1 . 1 . . . . 295 . . . 5984 1 399 . 1 1 54 54 ASN H H 1 7.80 0.01 . 1 . . . . 296 . . . 5984 1 400 . 1 1 54 54 ASN HA H 1 4.65 0.01 . 1 . . . . 296 . . . 5984 1 401 . 1 1 54 54 ASN HB2 H 1 2.83 0.01 . 2 . . . . 296 . . . 5984 1 402 . 1 1 54 54 ASN HB3 H 1 2.97 0.01 . 2 . . . . 296 . . . 5984 1 403 . 1 1 54 54 ASN HD21 H 1 8.17 0.01 . 1 . . . . 296 . . . 5984 1 404 . 1 1 54 54 ASN HD22 H 1 7.16 0.01 . 1 . . . . 296 . . . 5984 1 405 . 1 1 54 54 ASN N N 15 118.6 0.1 . 1 . . . . 296 . . . 5984 1 406 . 1 1 55 55 ALA H H 1 7.93 0.01 . 1 . . . . 297 . . . 5984 1 407 . 1 1 55 55 ALA HA H 1 3.85 0.01 . 1 . . . . 297 . . . 5984 1 408 . 1 1 55 55 ALA HB1 H 1 1.09 0.01 . 1 . . . . 297 . . . 5984 1 409 . 1 1 55 55 ALA HB2 H 1 1.09 0.01 . 1 . . . . 297 . . . 5984 1 410 . 1 1 55 55 ALA HB3 H 1 1.09 0.01 . 1 . . . . 297 . . . 5984 1 411 . 1 1 55 55 ALA N N 15 126.1 0.1 . 1 . . . . 297 . . . 5984 1 412 . 1 1 56 56 ASP H H 1 8.74 0.01 . 1 . . . . 298 . . . 5984 1 413 . 1 1 56 56 ASP HA H 1 4.40 0.01 . 1 . . . . 298 . . . 5984 1 414 . 1 1 56 56 ASP HB2 H 1 2.62 0.01 . 1 . . . . 298 . . . 5984 1 415 . 1 1 56 56 ASP HB3 H 1 2.62 0.01 . 1 . . . . 298 . . . 5984 1 416 . 1 1 56 56 ASP N N 15 119.3 0.1 . 1 . . . . 298 . . . 5984 1 417 . 1 1 57 57 SER H H 1 8.25 0.01 . 1 . . . . 299 . . . 5984 1 418 . 1 1 57 57 SER HA H 1 4.37 0.01 . 1 . . . . 299 . . . 5984 1 419 . 1 1 57 57 SER HB2 H 1 4.13 0.01 . 1 . . . . 299 . . . 5984 1 420 . 1 1 57 57 SER HB3 H 1 4.13 0.01 . 1 . . . . 299 . . . 5984 1 421 . 1 1 57 57 SER N N 15 117.1 0.1 . 1 . . . . 299 . . . 5984 1 422 . 1 1 58 58 THR H H 1 7.94 0.01 . 1 . . . . 300 . . . 5984 1 423 . 1 1 58 58 THR HA H 1 4.05 0.01 . 1 . . . . 300 . . . 5984 1 424 . 1 1 58 58 THR HB H 1 4.46 0.01 . 1 . . . . 300 . . . 5984 1 425 . 1 1 58 58 THR HG21 H 1 1.27 0.01 . 1 . . . . 300 . . . 5984 1 426 . 1 1 58 58 THR HG22 H 1 1.27 0.01 . 1 . . . . 300 . . . 5984 1 427 . 1 1 58 58 THR HG23 H 1 1.27 0.01 . 1 . . . . 300 . . . 5984 1 428 . 1 1 58 58 THR N N 15 120.5 0.1 . 1 . . . . 300 . . . 5984 1 429 . 1 1 59 59 LEU H H 1 8.38 0.01 . 1 . . . . 301 . . . 5984 1 430 . 1 1 59 59 LEU HA H 1 3.99 0.01 . 1 . . . . 301 . . . 5984 1 431 . 1 1 59 59 LEU HB2 H 1 1.75 0.01 . 1 . . . . 301 . . . 5984 1 432 . 1 1 59 59 LEU HB3 H 1 1.75 0.01 . 1 . . . . 301 . . . 5984 1 433 . 1 1 59 59 LEU HG H 1 1.55 0.01 . 1 . . . . 301 . . . 5984 1 434 . 1 1 59 59 LEU HD11 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 435 . 1 1 59 59 LEU HD12 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 436 . 1 1 59 59 LEU HD13 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 437 . 1 1 59 59 LEU HD21 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 438 . 1 1 59 59 LEU HD22 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 439 . 1 1 59 59 LEU HD23 H 1 0.77 0.01 . 1 . . . . 301 . . . 5984 1 440 . 1 1 59 59 LEU N N 15 121.7 0.1 . 1 . . . . 301 . . . 5984 1 441 . 1 1 60 60 ASN H H 1 8.41 0.01 . 1 . . . . 302 . . . 5984 1 442 . 1 1 60 60 ASN HA H 1 4.48 0.01 . 1 . . . . 302 . . . 5984 1 443 . 1 1 60 60 ASN HB2 H 1 2.96 0.01 . 1 . . . . 302 . . . 5984 1 444 . 1 1 60 60 ASN HB3 H 1 2.96 0.01 . 1 . . . . 302 . . . 5984 1 445 . 1 1 60 60 ASN HD21 H 1 7.71 0.01 . 1 . . . . 302 . . . 5984 1 446 . 1 1 60 60 ASN HD22 H 1 6.98 0.01 . 1 . . . . 302 . . . 5984 1 447 . 1 1 60 60 ASN N N 15 118.4 0.1 . 1 . . . . 302 . . . 5984 1 448 . 1 1 61 61 ARG H H 1 8.19 0.01 . 1 . . . . 303 . . . 5984 1 449 . 1 1 61 61 ARG HA H 1 4.21 0.01 . 1 . . . . 303 . . . 5984 1 450 . 1 1 61 61 ARG HB2 H 1 2.28 0.01 . 1 . . . . 303 . . . 5984 1 451 . 1 1 61 61 ARG HB3 H 1 2.28 0.01 . 1 . . . . 303 . . . 5984 1 452 . 1 1 61 61 ARG HG2 H 1 2.10 0.01 . 1 . . . . 303 . . . 5984 1 453 . 1 1 61 61 ARG HG3 H 1 2.10 0.01 . 1 . . . . 303 . . . 5984 1 454 . 1 1 61 61 ARG HD2 H 1 3.11 0.01 . 1 . . . . 303 . . . 5984 1 455 . 1 1 61 61 ARG HD3 H 1 3.11 0.01 . 1 . . . . 303 . . . 5984 1 456 . 1 1 61 61 ARG N N 15 120.8 0.1 . 1 . . . . 303 . . . 5984 1 457 . 1 1 62 62 LEU H H 1 8.50 0.01 . 1 . . . . 304 . . . 5984 1 458 . 1 1 62 62 LEU HA H 1 3.89 0.01 . 1 . . . . 304 . . . 5984 1 459 . 1 1 62 62 LEU HB2 H 1 1.47 0.01 . 2 . . . . 304 . . . 5984 1 460 . 1 1 62 62 LEU HB3 H 1 2.06 0.01 . 2 . . . . 304 . . . 5984 1 461 . 1 1 62 62 LEU HG H 1 1.21 0.01 . 1 . . . . 304 . . . 5984 1 462 . 1 1 62 62 LEU HD11 H 1 -0.19 0.01 . 2 . . . . 304 . . . 5984 1 463 . 1 1 62 62 LEU HD12 H 1 -0.19 0.01 . 2 . . . . 304 . . . 5984 1 464 . 1 1 62 62 LEU HD13 H 1 -0.19 0.01 . 2 . . . . 304 . . . 5984 1 465 . 1 1 62 62 LEU HD21 H 1 0.57 0.01 . 2 . . . . 304 . . . 5984 1 466 . 1 1 62 62 LEU HD22 H 1 0.57 0.01 . 2 . . . . 304 . . . 5984 1 467 . 1 1 62 62 LEU HD23 H 1 0.57 0.01 . 2 . . . . 304 . . . 5984 1 468 . 1 1 62 62 LEU N N 15 122.7 0.1 . 1 . . . . 304 . . . 5984 1 469 . 1 1 63 63 LYS H H 1 8.43 0.01 . 1 . . . . 305 . . . 5984 1 470 . 1 1 63 63 LYS HA H 1 3.89 0.01 . 1 . . . . 305 . . . 5984 1 471 . 1 1 63 63 LYS HB2 H 1 1.99 0.01 . 1 . . . . 305 . . . 5984 1 472 . 1 1 63 63 LYS HB3 H 1 1.99 0.01 . 1 . . . . 305 . . . 5984 1 473 . 1 1 63 63 LYS HG2 H 1 1.61 0.01 . 1 . . . . 305 . . . 5984 1 474 . 1 1 63 63 LYS HG3 H 1 1.61 0.01 . 1 . . . . 305 . . . 5984 1 475 . 1 1 63 63 LYS HD2 H 1 1.73 0.01 . 1 . . . . 305 . . . 5984 1 476 . 1 1 63 63 LYS HD3 H 1 1.73 0.01 . 1 . . . . 305 . . . 5984 1 477 . 1 1 63 63 LYS HE2 H 1 2.95 0.01 . 1 . . . . 305 . . . 5984 1 478 . 1 1 63 63 LYS HE3 H 1 2.95 0.01 . 1 . . . . 305 . . . 5984 1 479 . 1 1 63 63 LYS N N 15 121.0 0.1 . 1 . . . . 305 . . . 5984 1 480 . 1 1 64 64 MET H H 1 8.37 0.01 . 1 . . . . 306 . . . 5984 1 481 . 1 1 64 64 MET HA H 1 4.27 0.01 . 1 . . . . 306 . . . 5984 1 482 . 1 1 64 64 MET HB2 H 1 2.28 0.01 . 1 . . . . 306 . . . 5984 1 483 . 1 1 64 64 MET HB3 H 1 2.28 0.01 . 1 . . . . 306 . . . 5984 1 484 . 1 1 64 64 MET HG2 H 1 2.70 0.01 . 2 . . . . 306 . . . 5984 1 485 . 1 1 64 64 MET HG3 H 1 2.84 0.01 . 2 . . . . 306 . . . 5984 1 486 . 1 1 64 64 MET N N 15 120.6 0.1 . 1 . . . . 306 . . . 5984 1 487 . 1 1 65 65 ALA H H 1 7.52 0.01 . 1 . . . . 307 . . . 5984 1 488 . 1 1 65 65 ALA HA H 1 4.57 0.01 . 1 . . . . 307 . . . 5984 1 489 . 1 1 65 65 ALA HB1 H 1 1.82 0.01 . 1 . . . . 307 . . . 5984 1 490 . 1 1 65 65 ALA HB2 H 1 1.82 0.01 . 1 . . . . 307 . . . 5984 1 491 . 1 1 65 65 ALA HB3 H 1 1.82 0.01 . 1 . . . . 307 . . . 5984 1 492 . 1 1 65 65 ALA N N 15 120.0 0.1 . 1 . . . . 307 . . . 5984 1 493 . 1 1 66 66 GLY H H 1 7.77 0.01 . 1 . . . . 308 . . . 5984 1 494 . 1 1 66 66 GLY HA2 H 1 3.66 0.01 . 2 . . . . 308 . . . 5984 1 495 . 1 1 66 66 GLY HA3 H 1 4.22 0.01 . 2 . . . . 308 . . . 5984 1 496 . 1 1 66 66 GLY N N 15 105.1 0.1 . 1 . . . . 308 . . . 5984 1 497 . 1 1 67 67 HIS H H 1 8.25 0.01 . 1 . . . . 309 . . . 5984 1 498 . 1 1 67 67 HIS HA H 1 4.98 0.01 . 1 . . . . 309 . . . 5984 1 499 . 1 1 67 67 HIS HB2 H 1 3.05 0.01 . 1 . . . . 309 . . . 5984 1 500 . 1 1 67 67 HIS HB3 H 1 3.05 0.01 . 1 . . . . 309 . . . 5984 1 501 . 1 1 67 67 HIS HD2 H 1 7.02 0.01 . 1 . . . . 309 . . . 5984 1 502 . 1 1 67 67 HIS HE1 H 1 7.30 0.01 . 1 . . . . 309 . . . 5984 1 503 . 1 1 67 67 HIS N N 15 120.7 0.1 . 1 . . . . 309 . . . 5984 1 504 . 1 1 68 68 THR H H 1 9.68 0.01 . 1 . . . . 310 . . . 5984 1 505 . 1 1 68 68 THR HA H 1 4.80 0.01 . 1 . . . . 310 . . . 5984 1 506 . 1 1 68 68 THR HB H 1 4.04 0.01 . 1 . . . . 310 . . . 5984 1 507 . 1 1 68 68 THR HG21 H 1 1.66 0.01 . 1 . . . . 310 . . . 5984 1 508 . 1 1 68 68 THR HG22 H 1 1.66 0.01 . 1 . . . . 310 . . . 5984 1 509 . 1 1 68 68 THR HG23 H 1 1.66 0.01 . 1 . . . . 310 . . . 5984 1 510 . 1 1 68 68 THR N N 15 126.4 0.1 . 1 . . . . 310 . . . 5984 1 511 . 1 1 69 69 ASN H H 1 8.69 0.01 . 1 . . . . 311 . . . 5984 1 512 . 1 1 69 69 ASN HA H 1 4.86 0.01 . 1 . . . . 311 . . . 5984 1 513 . 1 1 69 69 ASN HB2 H 1 2.82 0.01 . 2 . . . . 311 . . . 5984 1 514 . 1 1 69 69 ASN HB3 H 1 3.01 0.01 . 2 . . . . 311 . . . 5984 1 515 . 1 1 69 69 ASN HD21 H 1 7.66 0.01 . 1 . . . . 311 . . . 5984 1 516 . 1 1 69 69 ASN HD22 H 1 6.87 0.01 . 1 . . . . 311 . . . 5984 1 517 . 1 1 69 69 ASN N N 15 118.8 0.1 . 1 . . . . 311 . . . 5984 1 518 . 1 1 70 70 CYS H H 1 7.76 0.01 . 1 . . . . 312 . . . 5984 1 519 . 1 1 70 70 CYS HA H 1 5.58 0.01 . 1 . . . . 312 . . . 5984 1 520 . 1 1 70 70 CYS HB2 H 1 2.38 0.01 . 2 . . . . 312 . . . 5984 1 521 . 1 1 70 70 CYS HB3 H 1 3.16 0.01 . 2 . . . . 312 . . . 5984 1 522 . 1 1 70 70 CYS N N 15 118.4 0.1 . 1 . . . . 312 . . . 5984 1 523 . 1 1 71 71 ILE H H 1 8.92 0.01 . 1 . . . . 313 . . . 5984 1 524 . 1 1 71 71 ILE HA H 1 4.65 0.01 . 1 . . . . 313 . . . 5984 1 525 . 1 1 71 71 ILE HB H 1 1.88 0.01 . 1 . . . . 313 . . . 5984 1 526 . 1 1 71 71 ILE HG12 H 1 1.16 0.01 . 2 . . . . 313 . . . 5984 1 527 . 1 1 71 71 ILE HG13 H 1 1.37 0.01 . 2 . . . . 313 . . . 5984 1 528 . 1 1 71 71 ILE HG21 H 1 0.89 0.01 . 1 . . . . 313 . . . 5984 1 529 . 1 1 71 71 ILE HG22 H 1 0.89 0.01 . 1 . . . . 313 . . . 5984 1 530 . 1 1 71 71 ILE HG23 H 1 0.89 0.01 . 1 . . . . 313 . . . 5984 1 531 . 1 1 71 71 ILE HD11 H 1 0.74 0.01 . 1 . . . . 313 . . . 5984 1 532 . 1 1 71 71 ILE HD12 H 1 0.74 0.01 . 1 . . . . 313 . . . 5984 1 533 . 1 1 71 71 ILE HD13 H 1 0.74 0.01 . 1 . . . . 313 . . . 5984 1 534 . 1 1 71 71 ILE N N 15 116.7 0.1 . 1 . . . . 313 . . . 5984 1 535 . 1 1 72 72 ARG H H 1 8.76 0.01 . 1 . . . . 314 . . . 5984 1 536 . 1 1 72 72 ARG HA H 1 5.21 0.01 . 1 . . . . 314 . . . 5984 1 537 . 1 1 72 72 ARG HB2 H 1 1.813 0.01 . 1 . . . . 314 . . . 5984 1 538 . 1 1 72 72 ARG HB3 H 1 1.813 0.01 . 1 . . . . 314 . . . 5984 1 539 . 1 1 72 72 ARG HG2 H 1 1.566 0.01 . 1 . . . . 314 . . . 5984 1 540 . 1 1 72 72 ARG HG3 H 1 1.566 0.01 . 1 . . . . 314 . . . 5984 1 541 . 1 1 72 72 ARG N N 15 122.6 0.1 . 1 . . . . 314 . . . 5984 1 542 . 1 1 73 73 LEU H H 1 9.362 0.01 . 1 . . . . 315 . . . 5984 1 543 . 1 1 73 73 LEU HA H 1 4.936 0.01 . 1 . . . . 315 . . . 5984 1 544 . 1 1 73 73 LEU HB2 H 1 1.601 0.01 . 1 . . . . 315 . . . 5984 1 545 . 1 1 73 73 LEU HB3 H 1 1.601 0.01 . 1 . . . . 315 . . . 5984 1 546 . 1 1 73 73 LEU HG H 1 1.520 0.01 . 1 . . . . 315 . . . 5984 1 547 . 1 1 73 73 LEU HD11 H 1 0.798 0.01 . 2 . . . . 315 . . . 5984 1 548 . 1 1 73 73 LEU HD12 H 1 0.798 0.01 . 2 . . . . 315 . . . 5984 1 549 . 1 1 73 73 LEU HD13 H 1 0.798 0.01 . 2 . . . . 315 . . . 5984 1 550 . 1 1 73 73 LEU HD21 H 1 0.889 0.01 . 2 . . . . 315 . . . 5984 1 551 . 1 1 73 73 LEU HD22 H 1 0.889 0.01 . 2 . . . . 315 . . . 5984 1 552 . 1 1 73 73 LEU HD23 H 1 0.889 0.01 . 2 . . . . 315 . . . 5984 1 553 . 1 1 73 73 LEU N N 15 126.5 0.1 . 1 . . . . 315 . . . 5984 1 554 . 1 1 74 74 ALA H H 1 8.829 0.01 . 1 . . . . 316 . . . 5984 1 555 . 1 1 74 74 ALA HA H 1 3.918 0.01 . 1 . . . . 316 . . . 5984 1 556 . 1 1 74 74 ALA HB1 H 1 1.073 0.01 . 1 . . . . 316 . . . 5984 1 557 . 1 1 74 74 ALA HB2 H 1 1.073 0.01 . 1 . . . . 316 . . . 5984 1 558 . 1 1 74 74 ALA HB3 H 1 1.073 0.01 . 1 . . . . 316 . . . 5984 1 559 . 1 1 74 74 ALA N N 15 126.1 0.1 . 1 . . . . 316 . . . 5984 1 560 . 1 1 75 75 ALA H H 1 7.884 0.01 . 1 . . . . 317 . . . 5984 1 561 . 1 1 75 75 ALA HA H 1 4.331 0.01 . 1 . . . . 317 . . . 5984 1 562 . 1 1 75 75 ALA HB1 H 1 1.124 0.01 . 1 . . . . 317 . . . 5984 1 563 . 1 1 75 75 ALA HB2 H 1 1.124 0.01 . 1 . . . . 317 . . . 5984 1 564 . 1 1 75 75 ALA HB3 H 1 1.124 0.01 . 1 . . . . 317 . . . 5984 1 565 . 1 1 75 75 ALA N N 15 124.2 0.1 . 1 . . . . 317 . . . 5984 1 566 . 1 1 76 76 GLY H H 1 8.264 0.01 . 1 . . . . 318 . . . 5984 1 567 . 1 1 76 76 GLY HA2 H 1 3.969 0.01 . 1 . . . . 318 . . . 5984 1 568 . 1 1 76 76 GLY HA3 H 1 3.969 0.01 . 1 . . . . 318 . . . 5984 1 569 . 1 1 76 76 GLY N N 15 108.6 0.1 . 1 . . . . 318 . . . 5984 1 570 . 1 1 77 77 GLY H H 1 8.377 0.01 . 1 . . . . 319 . . . 5984 1 571 . 1 1 77 77 GLY HA2 H 1 4.001 0.01 . 1 . . . . 319 . . . 5984 1 572 . 1 1 77 77 GLY HA3 H 1 4.001 0.01 . 1 . . . . 319 . . . 5984 1 573 . 1 1 77 77 GLY N N 15 108.7 0.01 . 1 . . . . 319 . . . 5984 1 stop_ save_