data_4048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4048 _Entry.Title ; Solution Structure of the tetrameric minimum transforming domain of p53 ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-07-28 _Entry.Accession_date 1997-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Weontae Lee . . . 4048 2 Timothy Harvey . S. . 4048 3 Ya Yin . . . 4048 4 Patrick Yau . . . 4048 5 David Litchfield . . . 4048 6 Cheryl Arrowsmith . H. . 4048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 145 4048 '15N chemical shifts' 39 4048 '1H chemical shifts' 262 4048 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 . . 1999-08-17 . reformat BMRB 'format updated to NMR-STAR version 2.1' 4048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 95292092 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lee, W., Harvey, T. S., Yin, Y., Yau, P., Litchfield, D., and Arrowsmith, C. H., "Solution Structure of the tetrameric minimum transforming domain of p53," Nat. Struct. Biol. 1, 877-890 (1994). ; _Citation.Title 'Solution Structure of the tetrameric minimum transforming domain of p53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 1 _Citation.Journal_issue 12 _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 877 _Citation.Page_last 890 _Citation.Year 1994 _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 Weontae Lee . . . 4048 1 2 Timothy Harvey . S. . 4048 1 3 Ya Yin . . . 4048 1 4 Patrick Yau . . . 4048 1 5 David Litchfield . . . 4048 1 6 Cheryl Arrowsmith . H. . 4048 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cellular tumor antigen p53 - human' 4048 1 'minimum transforming domain (residues 303-366) of human p53 (p53tet)' 4048 1 NMR 4048 1 'Nuclear Magnetic Resonance' 4048 1 'p53, nuclear phosphoprotein' 4048 1 'tumor suppressor' 4048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p53tet _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p53tet _Assembly.Entry_ID 4048 _Assembly.ID 1 _Assembly.Name 'p53 nuclear phosphoprotein' _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 . _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 tetramer 4048 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 'subunit A' 1 $p53tet . . . native . . 1 . . 4048 1 2 'subunit B' 1 $p53tet . . . native . . 1 . . 4048 1 3 'subunit C' 1 $p53tet . . . native . . 1 . . 4048 1 4 'subunit D' 1 $p53tet . . . native . . 1 . . 4048 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1pes . . . . . . 4048 1 yes PDB 1pet . . . . . . 4048 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'p53 nuclear phosphoprotein' system 4048 1 p53tet abbreviation 4048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53tet _Entity.Sf_category entity _Entity.Sf_framecode p53tet _Entity.Entry_ID 4048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'p53 nuclear phosphoprotein' _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 ; HMSTKRALPNNTSSSPQPKK KPLDGEYFTLQIRGRERFEM FRELNEALELKDAQAGKEPG GSRAHS ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-25 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 1OLG . "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 2 no PDB 1OLH . "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 3 no PDB 1SAE . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 4 no PDB 1SAF . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 5 no PDB 1SAK . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 6 no PDB 1SAL . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 7 no PDB 3SAK . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 63.64 42 100.00 100.00 2.62e-20 . . . . 4048 1 8 no DBJ BAC16799 . "P53 [Homo sapiens]" . . . . . 96.97 393 98.44 98.44 3.21e-33 . . . . 4048 1 9 no DBJ BAD96746 . "tumor protein p53 variant [Homo sapiens]" . . . . . 96.97 158 100.00 100.00 2.72e-36 . . . . 4048 1 10 no DBJ BAG35463 . "unnamed protein product [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.66e-34 . . . . 4048 1 11 no DBJ BAG59884 . "unnamed protein product [Homo sapiens]" . . . . . 96.97 368 98.44 98.44 5.60e-34 . . . . 4048 1 12 no DBJ BAG60244 . "unnamed protein product [Homo sapiens]" . . . . . 96.97 383 100.00 100.00 1.72e-34 . . . . 4048 1 13 no EMBL CAA25652 . "p53 [Homo sapiens]" . . . . . 96.97 293 100.00 100.00 3.28e-35 . . . . 4048 1 14 no EMBL CAA26306 . "unnamed protein product [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.63e-34 . . . . 4048 1 15 no EMBL CAA34420 . "unnamed protein product [Chlorocebus aethiops]" . . . . . 96.97 393 98.44 98.44 8.97e-34 . . . . 4048 1 16 no EMBL CAA38095 . "protein p53 [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.66e-34 . . . . 4048 1 17 no EMBL CAA42626 . "p53 transformation suppressor [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.71e-34 . . . . 4048 1 18 no GB AAA17994 . "p53 [Macaca mulatta]" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 19 no GB AAA59987 . "phosphoprotein p53 [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.77e-34 . . . . 4048 1 20 no GB AAA59988 . "phosphoprotein p53 [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.63e-34 . . . . 4048 1 21 no GB AAA59989 . "p53 cellular tumor antigen [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.66e-34 . . . . 4048 1 22 no GB AAA61211 . "p53 antigen [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.50e-34 . . . . 4048 1 23 no PRF 2006287A . "p53 protein" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 24 no REF NP_000537 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.63e-34 . . . . 4048 1 25 no REF NP_001040616 . "cellular tumor antigen p53 [Macaca mulatta]" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 26 no REF NP_001119584 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 96.97 393 100.00 100.00 1.63e-34 . . . . 4048 1 27 no REF NP_001119587 . "cellular tumor antigen p53 isoform d [Homo sapiens]" . . . . . 96.97 261 100.00 100.00 1.70e-35 . . . . 4048 1 28 no REF NP_001119590 . "cellular tumor antigen p53 isoform g [Homo sapiens]" . . . . . 96.97 354 100.00 100.00 1.08e-34 . . . . 4048 1 29 no SP P04637 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" . . . . . 96.97 393 100.00 100.00 1.63e-34 . . . . 4048 1 30 no SP P13481 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" . . . . . 96.97 393 98.44 98.44 8.97e-34 . . . . 4048 1 31 no SP P56423 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 32 no SP P56424 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 33 no SP P61260 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" . . . . . 96.97 393 98.44 98.44 9.44e-34 . . . . 4048 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p53 nuclear phosphoprotein' common 4048 1 p53tet abbreviation 4048 1 (WT)p53 variant 4048 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 . HIS . 4048 1 2 . MET . 4048 1 3 303 SER . 4048 1 4 304 THR . 4048 1 5 305 LYS . 4048 1 6 306 ARG . 4048 1 7 307 ALA . 4048 1 8 308 LEU . 4048 1 9 309 PRO . 4048 1 10 310 ASN . 4048 1 11 311 ASN . 4048 1 12 312 THR . 4048 1 13 313 SER . 4048 1 14 314 SER . 4048 1 15 315 SER . 4048 1 16 316 PRO . 4048 1 17 317 GLN . 4048 1 18 318 PRO . 4048 1 19 319 LYS . 4048 1 20 320 LYS . 4048 1 21 321 LYS . 4048 1 22 322 PRO . 4048 1 23 323 LEU . 4048 1 24 324 ASP . 4048 1 25 325 GLY . 4048 1 26 326 GLU . 4048 1 27 327 TYR . 4048 1 28 328 PHE . 4048 1 29 329 THR . 4048 1 30 330 LEU . 4048 1 31 331 GLN . 4048 1 32 332 ILE . 4048 1 33 333 ARG . 4048 1 34 334 GLY . 4048 1 35 335 ARG . 4048 1 36 336 GLU . 4048 1 37 337 ARG . 4048 1 38 338 PHE . 4048 1 39 339 GLU . 4048 1 40 340 MET . 4048 1 41 341 PHE . 4048 1 42 241 ARG . 4048 1 43 343 GLU . 4048 1 44 344 LEU . 4048 1 45 345 ASN . 4048 1 46 346 GLU . 4048 1 47 347 ALA . 4048 1 48 348 LEU . 4048 1 49 349 GLU . 4048 1 50 350 LEU . 4048 1 51 351 LYS . 4048 1 52 352 ASP . 4048 1 53 353 ALA . 4048 1 54 354 GLN . 4048 1 55 355 ALA . 4048 1 56 356 GLY . 4048 1 57 357 LYS . 4048 1 58 358 GLU . 4048 1 59 359 PRO . 4048 1 60 360 GLY . 4048 1 61 361 GLY . 4048 1 62 362 SER . 4048 1 63 363 ARG . 4048 1 64 364 ALA . 4048 1 65 365 HIS . 4048 1 66 366 SER . 4048 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 . HIS 1 1 4048 1 . MET 2 2 4048 1 . SER 3 3 4048 1 . THR 4 4 4048 1 . LYS 5 5 4048 1 . ARG 6 6 4048 1 . ALA 7 7 4048 1 . LEU 8 8 4048 1 . PRO 9 9 4048 1 . ASN 10 10 4048 1 . ASN 11 11 4048 1 . THR 12 12 4048 1 . SER 13 13 4048 1 . SER 14 14 4048 1 . SER 15 15 4048 1 . PRO 16 16 4048 1 . GLN 17 17 4048 1 . PRO 18 18 4048 1 . LYS 19 19 4048 1 . LYS 20 20 4048 1 . LYS 21 21 4048 1 . PRO 22 22 4048 1 . LEU 23 23 4048 1 . ASP 24 24 4048 1 . GLY 25 25 4048 1 . GLU 26 26 4048 1 . TYR 27 27 4048 1 . PHE 28 28 4048 1 . THR 29 29 4048 1 . LEU 30 30 4048 1 . GLN 31 31 4048 1 . ILE 32 32 4048 1 . ARG 33 33 4048 1 . GLY 34 34 4048 1 . ARG 35 35 4048 1 . GLU 36 36 4048 1 . ARG 37 37 4048 1 . PHE 38 38 4048 1 . GLU 39 39 4048 1 . MET 40 40 4048 1 . PHE 41 41 4048 1 . ARG 42 42 4048 1 . GLU 43 43 4048 1 . LEU 44 44 4048 1 . ASN 45 45 4048 1 . GLU 46 46 4048 1 . ALA 47 47 4048 1 . LEU 48 48 4048 1 . GLU 49 49 4048 1 . LEU 50 50 4048 1 . LYS 51 51 4048 1 . ASP 52 52 4048 1 . ALA 53 53 4048 1 . GLN 54 54 4048 1 . ALA 55 55 4048 1 . GLY 56 56 4048 1 . LYS 57 57 4048 1 . GLU 58 58 4048 1 . PRO 59 59 4048 1 . GLY 60 60 4048 1 . GLY 61 61 4048 1 . SER 62 62 4048 1 . ARG 63 63 4048 1 . ALA 64 64 4048 1 . HIS 65 65 4048 1 . SER 66 66 4048 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 4048 _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 $p53tet . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4048 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 4048 _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 $p53tet . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 (DE3)[pLysS] . . . . . . . . . . . plasmid . . pET19b . . . . . . 4048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4048 _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 'p53 nuclear phosphoprotein' . . . 1 $p53tet . . 2.0 . . mM . . . . 4048 1 2 NaCL . . . . . . . 250 . . mM . . . . 4048 1 3 Na2HPO4 . . . . . . . 25 . . mM . . . . 4048 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 4048 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4048 _Sample.ID 2 _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 'p53 nuclear phosphoprotein' [U-15N] . . 1 $p53tet . . 2.0 . . mM . . . . 4048 2 2 NaCL . . . . . . . 250 . . mM . . . . 4048 2 3 Na2HPO4 . . . . . . . 25 . . mM . . . . 4048 2 4 NaN3 . . . . . . . 0.02 . . % . . . . 4048 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4048 _Sample.ID 3 _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 'p53 nuclear phosphoprotein' '[U-13C; U-15N]' . . 1 $p53tet . . 2.0 . . mM . . . . 4048 3 2 NaCL . . . . . . . 250 . . mM . . . . 4048 3 3 Na2HPO4 . . . . . . . 25 . . mM . . . . 4048 3 4 NaN3 . . . . . . . 0.02 . . % . . . . 4048 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4048 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Conditions for all three samples are the same' 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 7.0 . na 4048 1 temperature 318 . K 4048 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity 600' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4048 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity +500' _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 4048 _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_one Varian 'Unity 600' . 600 . . . 4048 1 2 NMR_spectrometer_two Varian 'Unity +500' . 500 . . . 4048 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 4048 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4048 _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 CH3CO2NA 'methyl carbon' . . . . ppm 25.85 external indirect . . . . . . . . . . 4048 1 H 1 H2O protons . . . . ppm 4.58 internal direct . . . . . . . . . . 4048 1 N 15 CH4(15N2O) . . . . . ppm 78.98 external indirect . . . . . . . . . . 4048 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4048 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4048 1 . . 2 $sample_two . 4048 1 . . 3 $sample_three . 4048 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 23 23 LEU H H 1 8.3 . . 1 . . . . . . . . 4048 1 2 . 1 1 23 23 LEU HA H 1 4.4 . . 1 . . . . . . . . 4048 1 3 . 1 1 23 23 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4048 1 4 . 1 1 23 23 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 4048 1 5 . 1 1 23 23 LEU HG H 1 1.7 . . 1 . . . . . . . . 4048 1 6 . 1 1 23 23 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4048 1 7 . 1 1 23 23 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4048 1 8 . 1 1 23 23 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4048 1 9 . 1 1 23 23 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 4048 1 10 . 1 1 23 23 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 4048 1 11 . 1 1 23 23 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 4048 1 12 . 1 1 23 23 LEU C C 13 172.7 . . 1 . . . . . . . . 4048 1 13 . 1 1 23 23 LEU CA C 13 55.00 . . 1 . . . . . . . . 4048 1 14 . 1 1 23 23 LEU CB C 13 42.5 . . 1 . . . . . . . . 4048 1 15 . 1 1 23 23 LEU CG C 13 26.96 . . 1 . . . . . . . . 4048 1 16 . 1 1 23 23 LEU CD1 C 13 24.7 . . 1 . . . . . . . . 4048 1 17 . 1 1 23 23 LEU CD2 C 13 24.7 . . 1 . . . . . . . . 4048 1 18 . 1 1 23 23 LEU N N 15 122.3 . . 1 . . . . . . . . 4048 1 19 . 1 1 24 24 ASP H H 1 8.22 . . 1 . . . . . . . . 4048 1 20 . 1 1 24 24 ASP HA H 1 4.3 . . 1 . . . . . . . . 4048 1 21 . 1 1 24 24 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 4048 1 22 . 1 1 24 24 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 4048 1 23 . 1 1 24 24 ASP C C 13 173.00 . . 1 . . . . . . . . 4048 1 24 . 1 1 24 24 ASP CA C 13 54.5 . . 1 . . . . . . . . 4048 1 25 . 1 1 24 24 ASP CB C 13 41.8 . . 1 . . . . . . . . 4048 1 26 . 1 1 24 24 ASP N N 15 121.3 . . 1 . . . . . . . . 4048 1 27 . 1 1 25 25 GLY H H 1 8.18 . . 1 . . . . . . . . 4048 1 28 . 1 1 25 25 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 4048 1 29 . 1 1 25 25 GLY HA3 H 1 4.7 . . 2 . . . . . . . . 4048 1 30 . 1 1 25 25 GLY C C 13 171.4 . . 1 . . . . . . . . 4048 1 31 . 1 1 25 25 GLY CA C 13 45.00 . . 1 . . . . . . . . 4048 1 32 . 1 1 25 25 GLY N N 15 114.00 . . 1 . . . . . . . . 4048 1 33 . 1 1 26 26 GLU H H 1 8.02 . . 1 . . . . . . . . 4048 1 34 . 1 1 26 26 GLU HA H 1 4.3 . . 1 . . . . . . . . 4048 1 35 . 1 1 26 26 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4048 1 36 . 1 1 26 26 GLU HB3 H 1 1.92 . . 1 . . . . . . . . 4048 1 37 . 1 1 26 26 GLU HG2 H 1 2.05 . . 1 . . . . . . . . 4048 1 38 . 1 1 26 26 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 4048 1 39 . 1 1 26 26 GLU C C 13 169.1 . . 1 . . . . . . . . 4048 1 40 . 1 1 26 26 GLU CA C 13 56.00 . . 1 . . . . . . . . 4048 1 41 . 1 1 26 26 GLU CB C 13 31.00 . . 1 . . . . . . . . 4048 1 42 . 1 1 26 26 GLU CG C 13 36.66 . . 1 . . . . . . . . 4048 1 43 . 1 1 26 26 GLU N N 15 121.00 . . 1 . . . . . . . . 4048 1 44 . 1 1 27 27 TYR H H 1 7.85 . . 1 . . . . . . . . 4048 1 45 . 1 1 27 27 TYR HA H 1 5.1 . . 1 . . . . . . . . 4048 1 46 . 1 1 27 27 TYR HB2 H 1 2.7 . . 1 . . . . . . . . 4048 1 47 . 1 1 27 27 TYR HB3 H 1 2.7 . . 1 . . . . . . . . 4048 1 48 . 1 1 27 27 TYR HD1 H 1 6.9 . . 1 . . . . . . . . 4048 1 49 . 1 1 27 27 TYR HD2 H 1 6.9 . . 1 . . . . . . . . 4048 1 50 . 1 1 27 27 TYR HE1 H 1 6.8 . . 1 . . . . . . . . 4048 1 51 . 1 1 27 27 TYR HE2 H 1 6.8 . . 1 . . . . . . . . 4048 1 52 . 1 1 27 27 TYR C C 13 170.5 . . 1 . . . . . . . . 4048 1 53 . 1 1 27 27 TYR CA C 13 57.00 . . 1 . . . . . . . . 4048 1 54 . 1 1 27 27 TYR CB C 13 41.00 . . 1 . . . . . . . . 4048 1 55 . 1 1 27 27 TYR N N 15 120.00 . . 1 . . . . . . . . 4048 1 56 . 1 1 28 28 PHE H H 1 9.35 . . 1 . . . . . . . . 4048 1 57 . 1 1 28 28 PHE HA H 1 4.3 . . 1 . . . . . . . . 4048 1 58 . 1 1 28 28 PHE HB2 H 1 3.15 . . 1 . . . . . . . . 4048 1 59 . 1 1 28 28 PHE HB3 H 1 3.15 . . 1 . . . . . . . . 4048 1 60 . 1 1 28 28 PHE HD1 H 1 6.8 . . 1 . . . . . . . . 4048 1 61 . 1 1 28 28 PHE HD2 H 1 6.8 . . 1 . . . . . . . . 4048 1 62 . 1 1 28 28 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4048 1 63 . 1 1 28 28 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4048 1 64 . 1 1 28 28 PHE HZ H 1 7.17 . . 1 . . . . . . . . 4048 1 65 . 1 1 28 28 PHE C C 13 171.1 . . 1 . . . . . . . . 4048 1 66 . 1 1 28 28 PHE CA C 13 56.8 . . 1 . . . . . . . . 4048 1 67 . 1 1 28 28 PHE CB C 13 43.2 . . 1 . . . . . . . . 4048 1 68 . 1 1 28 28 PHE N N 15 121.5 . . 1 . . . . . . . . 4048 1 69 . 1 1 29 29 THR H H 1 8.4 . . 1 . . . . . . . . 4048 1 70 . 1 1 29 29 THR HA H 1 5.15 . . 1 . . . . . . . . 4048 1 71 . 1 1 29 29 THR HB H 1 4.00 . . 1 . . . . . . . . 4048 1 72 . 1 1 29 29 THR HG21 H 1 1.15 . . 1 . . . . . . . . 4048 1 73 . 1 1 29 29 THR HG22 H 1 1.15 . . 1 . . . . . . . . 4048 1 74 . 1 1 29 29 THR HG23 H 1 1.15 . . 1 . . . . . . . . 4048 1 75 . 1 1 29 29 THR C C 13 171.00 . . 1 . . . . . . . . 4048 1 76 . 1 1 29 29 THR CA C 13 61.5 . . 1 . . . . . . . . 4048 1 77 . 1 1 29 29 THR CB C 13 70.5 . . 1 . . . . . . . . 4048 1 78 . 1 1 29 29 THR CG2 C 13 22.5 . . 1 . . . . . . . . 4048 1 79 . 1 1 29 29 THR N N 15 115.00 . . 1 . . . . . . . . 4048 1 80 . 1 1 30 30 LEU H H 1 9.00 . . 1 . . . . . . . . 4048 1 81 . 1 1 30 30 LEU HA H 1 4.9 . . 1 . . . . . . . . 4048 1 82 . 1 1 30 30 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4048 1 83 . 1 1 30 30 LEU HB3 H 1 1.45 . . 2 . . . . . . . . 4048 1 84 . 1 1 30 30 LEU HG H 1 1.5 . . 1 . . . . . . . . 4048 1 85 . 1 1 30 30 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 4048 1 86 . 1 1 30 30 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 4048 1 87 . 1 1 30 30 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 4048 1 88 . 1 1 30 30 LEU HD21 H 1 0.6 . . 1 . . . . . . . . 4048 1 89 . 1 1 30 30 LEU HD22 H 1 0.6 . . 1 . . . . . . . . 4048 1 90 . 1 1 30 30 LEU HD23 H 1 0.6 . . 1 . . . . . . . . 4048 1 91 . 1 1 30 30 LEU C C 13 169.3 . . 1 . . . . . . . . 4048 1 92 . 1 1 30 30 LEU CA C 13 53.5 . . 1 . . . . . . . . 4048 1 93 . 1 1 30 30 LEU CB C 13 47.3 . . 1 . . . . . . . . 4048 1 94 . 1 1 30 30 LEU CG C 13 27.00 . . 1 . . . . . . . . 4048 1 95 . 1 1 30 30 LEU CD1 C 13 23.97 . . 1 . . . . . . . . 4048 1 96 . 1 1 30 30 LEU CD2 C 13 26.6 . . 1 . . . . . . . . 4048 1 97 . 1 1 30 30 LEU N N 15 127.3 . . 1 . . . . . . . . 4048 1 98 . 1 1 31 31 GLN H H 1 8.59 . . 1 . . . . . . . . 4048 1 99 . 1 1 31 31 GLN HA H 1 5.05 . . 1 . . . . . . . . 4048 1 100 . 1 1 31 31 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 4048 1 101 . 1 1 31 31 GLN HB3 H 1 2.00 . . 2 . . . . . . . . 4048 1 102 . 1 1 31 31 GLN HG2 H 1 2.2 . . 2 . . . . . . . . 4048 1 103 . 1 1 31 31 GLN HG3 H 1 2.25 . . 2 . . . . . . . . 4048 1 104 . 1 1 31 31 GLN C C 13 170.7 . . 1 . . . . . . . . 4048 1 105 . 1 1 31 31 GLN CA C 13 55.2 . . 1 . . . . . . . . 4048 1 106 . 1 1 31 31 GLN CB C 13 30.00 . . 1 . . . . . . . . 4048 1 107 . 1 1 31 31 GLN CG C 13 33.68 . . 1 . . . . . . . . 4048 1 108 . 1 1 31 31 GLN N N 15 125.7 . . 1 . . . . . . . . 4048 1 109 . 1 1 31 31 GLN NE2 N 15 112.8 . . 1 . . . . . . . . 4048 1 110 . 1 1 32 32 ILE H H 1 9.4 . . 1 . . . . . . . . 4048 1 111 . 1 1 32 32 ILE HA H 1 4.4 . . 1 . . . . . . . . 4048 1 112 . 1 1 32 32 ILE HB H 1 1.85 . . 1 . . . . . . . . 4048 1 113 . 1 1 32 32 ILE HG12 H 1 1.44 . . 2 . . . . . . . . 4048 1 114 . 1 1 32 32 ILE HG13 H 1 1.16 . . 2 . . . . . . . . 4048 1 115 . 1 1 32 32 ILE HG21 H 1 1.00 . . 1 . . . . . . . . 4048 1 116 . 1 1 32 32 ILE HG22 H 1 1.00 . . 1 . . . . . . . . 4048 1 117 . 1 1 32 32 ILE HG23 H 1 1.00 . . 1 . . . . . . . . 4048 1 118 . 1 1 32 32 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4048 1 119 . 1 1 32 32 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4048 1 120 . 1 1 32 32 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4048 1 121 . 1 1 32 32 ILE C C 13 171.00 . . 1 . . . . . . . . 4048 1 122 . 1 1 32 32 ILE CA C 13 59.8 . . 1 . . . . . . . . 4048 1 123 . 1 1 32 32 ILE CB C 13 42.00 . . 1 . . . . . . . . 4048 1 124 . 1 1 32 32 ILE CG1 C 13 27.7 . . 1 . . . . . . . . 4048 1 125 . 1 1 32 32 ILE CG2 C 13 18.75 . . 1 . . . . . . . . 4048 1 126 . 1 1 32 32 ILE CD1 C 13 15.02 . . 1 . . . . . . . . 4048 1 127 . 1 1 32 32 ILE N N 15 127.00 . . 1 . . . . . . . . 4048 1 128 . 1 1 33 33 ARG H H 1 9.75 . . 1 . . . . . . . . 4048 1 129 . 1 1 33 33 ARG HA H 1 4.35 . . 1 . . . . . . . . 4048 1 130 . 1 1 33 33 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4048 1 131 . 1 1 33 33 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 4048 1 132 . 1 1 33 33 ARG HG2 H 1 1.05 . . 2 . . . . . . . . 4048 1 133 . 1 1 33 33 ARG HG3 H 1 1.3 . . 2 . . . . . . . . 4048 1 134 . 1 1 33 33 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 4048 1 135 . 1 1 33 33 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 4048 1 136 . 1 1 33 33 ARG C C 13 170.00 . . 1 . . . . . . . . 4048 1 137 . 1 1 33 33 ARG CA C 13 56.3 . . 1 . . . . . . . . 4048 1 138 . 1 1 33 33 ARG CB C 13 31.00 . . 1 . . . . . . . . 4048 1 139 . 1 1 33 33 ARG CG C 13 27.3 . . 1 . . . . . . . . 4048 1 140 . 1 1 33 33 ARG CD C 13 43.4 . . 1 . . . . . . . . 4048 1 141 . 1 1 33 33 ARG N N 15 130.8 . . 1 . . . . . . . . 4048 1 142 . 1 1 34 34 GLY H H 1 8.7 . . 1 . . . . . . . . 4048 1 143 . 1 1 34 34 GLY HA2 H 1 3.45 . . 2 . . . . . . . . 4048 1 144 . 1 1 34 34 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4048 1 145 . 1 1 34 34 GLY C C 13 171.8 . . 1 . . . . . . . . 4048 1 146 . 1 1 34 34 GLY CA C 13 44.3 . . 1 . . . . . . . . 4048 1 147 . 1 1 34 34 GLY N N 15 115.2 . . 1 . . . . . . . . 4048 1 148 . 1 1 35 35 ARG H H 1 8.92 . . 1 . . . . . . . . 4048 1 149 . 1 1 35 35 ARG HA H 1 3.3 . . 1 . . . . . . . . 4048 1 150 . 1 1 35 35 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 4048 1 151 . 1 1 35 35 ARG HB3 H 1 1.9 . . 2 . . . . . . . . 4048 1 152 . 1 1 35 35 ARG HG2 H 1 1.4 . . 2 . . . . . . . . 4048 1 153 . 1 1 35 35 ARG HG3 H 1 1.6 . . 2 . . . . . . . . 4048 1 154 . 1 1 35 35 ARG HD2 H 1 3.08 . . 2 . . . . . . . . 4048 1 155 . 1 1 35 35 ARG HD3 H 1 3.12 . . 2 . . . . . . . . 4048 1 156 . 1 1 35 35 ARG C C 13 169.8 . . 1 . . . . . . . . 4048 1 157 . 1 1 35 35 ARG CA C 13 59.8 . . 1 . . . . . . . . 4048 1 158 . 1 1 35 35 ARG CB C 13 30.00 . . 1 . . . . . . . . 4048 1 159 . 1 1 35 35 ARG CG C 13 26.6 . . 1 . . . . . . . . 4048 1 160 . 1 1 35 35 ARG CD C 13 42.25 . . 1 . . . . . . . . 4048 1 161 . 1 1 35 35 ARG N N 15 126.9 . . 1 . . . . . . . . 4048 1 162 . 1 1 36 36 GLU H H 1 8.85 . . 1 . . . . . . . . 4048 1 163 . 1 1 36 36 GLU HA H 1 3.97 . . 1 . . . . . . . . 4048 1 164 . 1 1 36 36 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 4048 1 165 . 1 1 36 36 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 4048 1 166 . 1 1 36 36 GLU HG2 H 1 2.3 . . 1 . . . . . . . . 4048 1 167 . 1 1 36 36 GLU HG3 H 1 2.4 . . 2 . . . . . . . . 4048 1 168 . 1 1 36 36 GLU C C 13 173.6 . . 1 . . . . . . . . 4048 1 169 . 1 1 36 36 GLU CA C 13 60.00 . . 1 . . . . . . . . 4048 1 170 . 1 1 36 36 GLU CB C 13 28.5 . . 1 . . . . . . . . 4048 1 171 . 1 1 36 36 GLU CG C 13 36.66 . . 1 . . . . . . . . 4048 1 172 . 1 1 36 36 GLU N N 15 119.00 . . 1 . . . . . . . . 4048 1 173 . 1 1 37 37 ARG H H 1 7.95 . . 1 . . . . . . . . 4048 1 174 . 1 1 37 37 ARG HA H 1 3.95 . . 1 . . . . . . . . 4048 1 175 . 1 1 37 37 ARG HB2 H 1 2.3 . . 1 . . . . . . . . 4048 1 176 . 1 1 37 37 ARG HB3 H 1 2.3 . . 1 . . . . . . . . 4048 1 177 . 1 1 37 37 ARG HG2 H 1 1.7 . . 1 . . . . . . . . 4048 1 178 . 1 1 37 37 ARG HG3 H 1 1.7 . . 1 . . . . . . . . 4048 1 179 . 1 1 37 37 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 4048 1 180 . 1 1 37 37 ARG HD3 H 1 3.03 . . 1 . . . . . . . . 4048 1 181 . 1 1 37 37 ARG C C 13 170.5 . . 1 . . . . . . . . 4048 1 182 . 1 1 37 37 ARG CA C 13 59.5 . . 1 . . . . . . . . 4048 1 183 . 1 1 37 37 ARG CB C 13 33.5 . . 1 . . . . . . . . 4048 1 184 . 1 1 37 37 ARG CG C 13 28.8 . . 1 . . . . . . . . 4048 1 185 . 1 1 37 37 ARG CD C 13 40.8 . . 1 . . . . . . . . 4048 1 186 . 1 1 37 37 ARG N N 15 122.8 . . 1 . . . . . . . . 4048 1 187 . 1 1 38 38 PHE H H 1 8.42 . . 1 . . . . . . . . 4048 1 188 . 1 1 38 38 PHE HA H 1 4.2 . . 1 . . . . . . . . 4048 1 189 . 1 1 38 38 PHE HB2 H 1 2.85 . . 2 . . . . . . . . 4048 1 190 . 1 1 38 38 PHE HB3 H 1 2.95 . . 2 . . . . . . . . 4048 1 191 . 1 1 38 38 PHE HD1 H 1 6.8 . . 1 . . . . . . . . 4048 1 192 . 1 1 38 38 PHE HD2 H 1 6.8 . . 1 . . . . . . . . 4048 1 193 . 1 1 38 38 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4048 1 194 . 1 1 38 38 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4048 1 195 . 1 1 38 38 PHE HZ H 1 7.4 . . 1 . . . . . . . . 4048 1 196 . 1 1 38 38 PHE C C 13 173.8 . . 1 . . . . . . . . 4048 1 197 . 1 1 38 38 PHE CA C 13 61.6 . . 1 . . . . . . . . 4048 1 198 . 1 1 38 38 PHE CB C 13 38.7 . . 1 . . . . . . . . 4048 1 199 . 1 1 38 38 PHE N N 15 120.8 . . 1 . . . . . . . . 4048 1 200 . 1 1 39 39 GLU H H 1 8.6 . . 1 . . . . . . . . 4048 1 201 . 1 1 39 39 GLU HA H 1 3.5 . . 1 . . . . . . . . 4048 1 202 . 1 1 39 39 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4048 1 203 . 1 1 39 39 GLU HB3 H 1 2.00 . . 2 . . . . . . . . 4048 1 204 . 1 1 39 39 GLU HG2 H 1 2.3 . . 1 . . . . . . . . 4048 1 205 . 1 1 39 39 GLU HG3 H 1 2.48 . . 2 . . . . . . . . 4048 1 206 . 1 1 39 39 GLU C C 13 172.00 . . 1 . . . . . . . . 4048 1 207 . 1 1 39 39 GLU CA C 13 59.00 . . 1 . . . . . . . . 4048 1 208 . 1 1 39 39 GLU CB C 13 28.7 . . 1 . . . . . . . . 4048 1 209 . 1 1 39 39 GLU CG C 13 35.92 . . 1 . . . . . . . . 4048 1 210 . 1 1 39 39 GLU N N 15 118.8 . . 1 . . . . . . . . 4048 1 211 . 1 1 40 40 MET H H 1 7.65 . . 1 . . . . . . . . 4048 1 212 . 1 1 40 40 MET HA H 1 4.1 . . 1 . . . . . . . . 4048 1 213 . 1 1 40 40 MET HB2 H 1 2.05 . . 2 . . . . . . . . 4048 1 214 . 1 1 40 40 MET HB3 H 1 2.25 . . 2 . . . . . . . . 4048 1 215 . 1 1 40 40 MET HG2 H 1 2.05 . . 2 . . . . . . . . 4048 1 216 . 1 1 40 40 MET HG3 H 1 2.58 . . 2 . . . . . . . . 4048 1 217 . 1 1 40 40 MET HE1 H 1 1.55 . . 1 . . . . . . . . 4048 1 218 . 1 1 40 40 MET HE2 H 1 1.55 . . 1 . . . . . . . . 4048 1 219 . 1 1 40 40 MET HE3 H 1 1.55 . . 1 . . . . . . . . 4048 1 220 . 1 1 40 40 MET C C 13 175.1 . . 1 . . . . . . . . 4048 1 221 . 1 1 40 40 MET CA C 13 58.7 . . 1 . . . . . . . . 4048 1 222 . 1 1 40 40 MET CB C 13 32.2 . . 1 . . . . . . . . 4048 1 223 . 1 1 40 40 MET CG C 13 30.4 . . 1 . . . . . . . . 4048 1 224 . 1 1 40 40 MET CE C 13 40.00 . . 1 . . . . . . . . 4048 1 225 . 1 1 40 40 MET N N 15 120.8 . . 1 . . . . . . . . 4048 1 226 . 1 1 41 41 PHE H H 1 8.12 . . 1 . . . . . . . . 4048 1 227 . 1 1 41 41 PHE HA H 1 4.15 . . 1 . . . . . . . . 4048 1 228 . 1 1 41 41 PHE HB2 H 1 2.7 . . 2 . . . . . . . . 4048 1 229 . 1 1 41 41 PHE HB3 H 1 2.9 . . 2 . . . . . . . . 4048 1 230 . 1 1 41 41 PHE HD1 H 1 7.12 . . 1 . . . . . . . . 4048 1 231 . 1 1 41 41 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 4048 1 232 . 1 1 41 41 PHE HE1 H 1 7.31 . . 1 . . . . . . . . 4048 1 233 . 1 1 41 41 PHE HE2 H 1 7.31 . . 1 . . . . . . . . 4048 1 234 . 1 1 41 41 PHE HZ H 1 6.92 . . 1 . . . . . . . . 4048 1 235 . 1 1 41 41 PHE C C 13 173.7 . . 1 . . . . . . . . 4048 1 236 . 1 1 41 41 PHE CA C 13 61.5 . . 1 . . . . . . . . 4048 1 237 . 1 1 41 41 PHE CB C 13 39.00 . . 1 . . . . . . . . 4048 1 238 . 1 1 41 41 PHE N N 15 118.3 . . 1 . . . . . . . . 4048 1 239 . 1 1 42 42 ARG H H 1 9.28 . . 1 . . . . . . . . 4048 1 240 . 1 1 42 42 ARG HA H 1 3.7 . . 1 . . . . . . . . 4048 1 241 . 1 1 42 42 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4048 1 242 . 1 1 42 42 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 4048 1 243 . 1 1 42 42 ARG HG2 H 1 1.45 . . 2 . . . . . . . . 4048 1 244 . 1 1 42 42 ARG HG3 H 1 1.5 . . 2 . . . . . . . . 4048 1 245 . 1 1 42 42 ARG HD2 H 1 2.87 . . 1 . . . . . . . . 4048 1 246 . 1 1 42 42 ARG HD3 H 1 2.87 . . 1 . . . . . . . . 4048 1 247 . 1 1 42 42 ARG C C 13 173.8 . . 1 . . . . . . . . 4048 1 248 . 1 1 42 42 ARG CA C 13 59.8 . . 1 . . . . . . . . 4048 1 249 . 1 1 42 42 ARG CB C 13 29.00 . . 1 . . . . . . . . 4048 1 250 . 1 1 42 42 ARG CG C 13 25.8 . . 1 . . . . . . . . 4048 1 251 . 1 1 42 42 ARG CD C 13 43.00 . . 1 . . . . . . . . 4048 1 252 . 1 1 42 42 ARG N N 15 121.6 . . 1 . . . . . . . . 4048 1 253 . 1 1 43 43 GLU H H 1 7.85 . . 1 . . . . . . . . 4048 1 254 . 1 1 43 43 GLU HA H 1 4.05 . . 1 . . . . . . . . 4048 1 255 . 1 1 43 43 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4048 1 256 . 1 1 43 43 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4048 1 257 . 1 1 43 43 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4048 1 258 . 1 1 43 43 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 4048 1 259 . 1 1 43 43 GLU C C 13 174.3 . . 1 . . . . . . . . 4048 1 260 . 1 1 43 43 GLU CA C 13 59.8 . . 1 . . . . . . . . 4048 1 261 . 1 1 43 43 GLU CB C 13 29.00 . . 1 . . . . . . . . 4048 1 262 . 1 1 43 43 GLU CG C 13 35.54 . . 1 . . . . . . . . 4048 1 263 . 1 1 43 43 GLU N N 15 121.00 . . 1 . . . . . . . . 4048 1 264 . 1 1 44 44 LEU H H 1 7.8 . . 1 . . . . . . . . 4048 1 265 . 1 1 44 44 LEU HA H 1 4.1 . . 1 . . . . . . . . 4048 1 266 . 1 1 44 44 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 4048 1 267 . 1 1 44 44 LEU HB3 H 1 2.25 . . 2 . . . . . . . . 4048 1 268 . 1 1 44 44 LEU HG H 1 2.1 . . 1 . . . . . . . . 4048 1 269 . 1 1 44 44 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4048 1 270 . 1 1 44 44 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4048 1 271 . 1 1 44 44 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4048 1 272 . 1 1 44 44 LEU HD21 H 1 0.8 . . 1 . . . . . . . . 4048 1 273 . 1 1 44 44 LEU HD22 H 1 0.8 . . 1 . . . . . . . . 4048 1 274 . 1 1 44 44 LEU HD23 H 1 0.8 . . 1 . . . . . . . . 4048 1 275 . 1 1 44 44 LEU C C 13 175.2 . . 1 . . . . . . . . 4048 1 276 . 1 1 44 44 LEU CA C 13 58.00 . . 1 . . . . . . . . 4048 1 277 . 1 1 44 44 LEU CB C 13 42.5 . . 1 . . . . . . . . 4048 1 278 . 1 1 44 44 LEU CG C 13 26.6 . . 1 . . . . . . . . 4048 1 279 . 1 1 44 44 LEU CD1 C 13 23.2 . . 1 . . . . . . . . 4048 1 280 . 1 1 44 44 LEU CD2 C 13 25.1 . . 1 . . . . . . . . 4048 1 281 . 1 1 44 44 LEU N N 15 118.5 . . 1 . . . . . . . . 4048 1 282 . 1 1 45 45 ASN H H 1 8.85 . . 1 . . . . . . . . 4048 1 283 . 1 1 45 45 ASN HA H 1 4.1 . . 1 . . . . . . . . 4048 1 284 . 1 1 45 45 ASN HB2 H 1 2.8 . . 2 . . . . . . . . 4048 1 285 . 1 1 45 45 ASN HB3 H 1 2.5 . . 2 . . . . . . . . 4048 1 286 . 1 1 45 45 ASN HD21 H 1 6.45 . . 2 . . . . . . . . 4048 1 287 . 1 1 45 45 ASN HD22 H 1 7.68 . . 2 . . . . . . . . 4048 1 288 . 1 1 45 45 ASN C C 13 174.3 . . 1 . . . . . . . . 4048 1 289 . 1 1 45 45 ASN CA C 13 57.6 . . 1 . . . . . . . . 4048 1 290 . 1 1 45 45 ASN CB C 13 39.7 . . 1 . . . . . . . . 4048 1 291 . 1 1 45 45 ASN N N 15 117.6 . . 1 . . . . . . . . 4048 1 292 . 1 1 45 45 ASN ND2 N 15 112.4 . . 1 . . . . . . . . 4048 1 293 . 1 1 46 46 GLU H H 1 8.81 . . 1 . . . . . . . . 4048 1 294 . 1 1 46 46 GLU HA H 1 4.05 . . 1 . . . . . . . . 4048 1 295 . 1 1 46 46 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4048 1 296 . 1 1 46 46 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 4048 1 297 . 1 1 46 46 GLU HG2 H 1 2.55 . . 1 . . . . . . . . 4048 1 298 . 1 1 46 46 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 4048 1 299 . 1 1 46 46 GLU C C 13 173.00 . . 1 . . . . . . . . 4048 1 300 . 1 1 46 46 GLU CA C 13 59.5 . . 1 . . . . . . . . 4048 1 301 . 1 1 46 46 GLU CB C 13 30.00 . . 1 . . . . . . . . 4048 1 302 . 1 1 46 46 GLU CG C 13 34.05 . . 1 . . . . . . . . 4048 1 303 . 1 1 46 46 GLU N N 15 119.2 . . 1 . . . . . . . . 4048 1 304 . 1 1 47 47 ALA H H 1 8.25 . . 1 . . . . . . . . 4048 1 305 . 1 1 47 47 ALA HA H 1 4.1 . . 1 . . . . . . . . 4048 1 306 . 1 1 47 47 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 4048 1 307 . 1 1 47 47 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 4048 1 308 . 1 1 47 47 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 4048 1 309 . 1 1 47 47 ALA C C 13 175.6 . . 1 . . . . . . . . 4048 1 310 . 1 1 47 47 ALA CA C 13 55.00 . . 1 . . . . . . . . 4048 1 311 . 1 1 47 47 ALA CB C 13 17.5 . . 1 . . . . . . . . 4048 1 312 . 1 1 47 47 ALA N N 15 122.3 . . 1 . . . . . . . . 4048 1 313 . 1 1 48 48 LEU H H 1 8.18 . . 1 . . . . . . . . 4048 1 314 . 1 1 48 48 LEU HA H 1 4.1 . . 1 . . . . . . . . 4048 1 315 . 1 1 48 48 LEU HB2 H 1 2.18 . . 2 . . . . . . . . 4048 1 316 . 1 1 48 48 LEU HB3 H 1 2.22 . . 2 . . . . . . . . 4048 1 317 . 1 1 48 48 LEU HG H 1 2.05 . . 1 . . . . . . . . 4048 1 318 . 1 1 48 48 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 4048 1 319 . 1 1 48 48 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 4048 1 320 . 1 1 48 48 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 4048 1 321 . 1 1 48 48 LEU HD21 H 1 0.9 . . 1 . . . . . . . . 4048 1 322 . 1 1 48 48 LEU HD22 H 1 0.9 . . 1 . . . . . . . . 4048 1 323 . 1 1 48 48 LEU HD23 H 1 0.9 . . 1 . . . . . . . . 4048 1 324 . 1 1 48 48 LEU C C 13 175.5 . . 1 . . . . . . . . 4048 1 325 . 1 1 48 48 LEU CA C 13 58.2 . . 1 . . . . . . . . 4048 1 326 . 1 1 48 48 LEU CB C 13 40.5 . . 1 . . . . . . . . 4048 1 327 . 1 1 48 48 LEU CG C 13 26.6 . . 1 . . . . . . . . 4048 1 328 . 1 1 48 48 LEU CD1 C 13 26.6 . . 1 . . . . . . . . 4048 1 329 . 1 1 48 48 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 4048 1 330 . 1 1 48 48 LEU N N 15 120.2 . . 1 . . . . . . . . 4048 1 331 . 1 1 49 49 GLU H H 1 8.46 . . 1 . . . . . . . . 4048 1 332 . 1 1 49 49 GLU HA H 1 4.25 . . 1 . . . . . . . . 4048 1 333 . 1 1 49 49 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4048 1 334 . 1 1 49 49 GLU HB3 H 1 2.2 . . 2 . . . . . . . . 4048 1 335 . 1 1 49 49 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 4048 1 336 . 1 1 49 49 GLU HG3 H 1 2.8 . . 2 . . . . . . . . 4048 1 337 . 1 1 49 49 GLU C C 13 175.2 . . 1 . . . . . . . . 4048 1 338 . 1 1 49 49 GLU CA C 13 59.6 . . 1 . . . . . . . . 4048 1 339 . 1 1 49 49 GLU CB C 13 29.00 . . 1 . . . . . . . . 4048 1 340 . 1 1 49 49 GLU CG C 13 36.66 . . 1 . . . . . . . . 4048 1 341 . 1 1 49 49 GLU N N 15 119.4 . . 1 . . . . . . . . 4048 1 342 . 1 1 50 50 LEU H H 1 8.22 . . 1 . . . . . . . . 4048 1 343 . 1 1 50 50 LEU HA H 1 4.28 . . 1 . . . . . . . . 4048 1 344 . 1 1 50 50 LEU HB2 H 1 2.00 . . 2 . . . . . . . . 4048 1 345 . 1 1 50 50 LEU HB3 H 1 1.86 . . 2 . . . . . . . . 4048 1 346 . 1 1 50 50 LEU HG H 1 1.77 . . 1 . . . . . . . . 4048 1 347 . 1 1 50 50 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4048 1 348 . 1 1 50 50 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4048 1 349 . 1 1 50 50 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4048 1 350 . 1 1 50 50 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4048 1 351 . 1 1 50 50 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4048 1 352 . 1 1 50 50 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4048 1 353 . 1 1 50 50 LEU C C 13 176.1 . . 1 . . . . . . . . 4048 1 354 . 1 1 50 50 LEU CA C 13 57.9 . . 1 . . . . . . . . 4048 1 355 . 1 1 50 50 LEU CB C 13 41.5 . . 1 . . . . . . . . 4048 1 356 . 1 1 50 50 LEU CG C 13 27.00 . . 1 . . . . . . . . 4048 1 357 . 1 1 50 50 LEU CD1 C 13 24.00 . . 1 . . . . . . . . 4048 1 358 . 1 1 50 50 LEU CD2 C 13 24.00 . . 1 . . . . . . . . 4048 1 359 . 1 1 50 50 LEU N N 15 123.6 . . 1 . . . . . . . . 4048 1 360 . 1 1 51 51 LYS H H 1 8.05 . . 1 . . . . . . . . 4048 1 361 . 1 1 51 51 LYS HA H 1 3.97 . . 1 . . . . . . . . 4048 1 362 . 1 1 51 51 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4048 1 363 . 1 1 51 51 LYS HB3 H 1 2.33 . . 2 . . . . . . . . 4048 1 364 . 1 1 51 51 LYS HG2 H 1 1.45 . . 2 . . . . . . . . 4048 1 365 . 1 1 51 51 LYS HG3 H 1 1.55 . . 2 . . . . . . . . 4048 1 366 . 1 1 51 51 LYS HD2 H 1 1.65 . . 2 . . . . . . . . 4048 1 367 . 1 1 51 51 LYS HD3 H 1 1.7 . . 2 . . . . . . . . 4048 1 368 . 1 1 51 51 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 4048 1 369 . 1 1 51 51 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 4048 1 370 . 1 1 51 51 LYS C C 13 175.2 . . 1 . . . . . . . . 4048 1 371 . 1 1 51 51 LYS CA C 13 59.8 . . 1 . . . . . . . . 4048 1 372 . 1 1 51 51 LYS CB C 13 32.00 . . 1 . . . . . . . . 4048 1 373 . 1 1 51 51 LYS CG C 13 24.4 . . 1 . . . . . . . . 4048 1 374 . 1 1 51 51 LYS CD C 13 30.00 . . 1 . . . . . . . . 4048 1 375 . 1 1 51 51 LYS N N 15 122.00 . . 1 . . . . . . . . 4048 1 376 . 1 1 52 52 ASP H H 1 8.3 . . 1 . . . . . . . . 4048 1 377 . 1 1 52 52 ASP HA H 1 4.4 . . 1 . . . . . . . . 4048 1 378 . 1 1 52 52 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4048 1 379 . 1 1 52 52 ASP HB3 H 1 3.00 . . 2 . . . . . . . . 4048 1 380 . 1 1 52 52 ASP C C 13 175.2 . . 1 . . . . . . . . 4048 1 381 . 1 1 52 52 ASP CA C 13 57.00 . . 1 . . . . . . . . 4048 1 382 . 1 1 52 52 ASP CB C 13 40.7 . . 1 . . . . . . . . 4048 1 383 . 1 1 52 52 ASP N N 15 120.8 . . 1 . . . . . . . . 4048 1 384 . 1 1 53 53 ALA H H 1 7.75 . . 1 . . . . . . . . 4048 1 385 . 1 1 53 53 ALA HA H 1 4.3 . . 1 . . . . . . . . 4048 1 386 . 1 1 53 53 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4048 1 387 . 1 1 53 53 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4048 1 388 . 1 1 53 53 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4048 1 389 . 1 1 53 53 ALA C C 13 174.2 . . 1 . . . . . . . . 4048 1 390 . 1 1 53 53 ALA CA C 13 54.00 . . 1 . . . . . . . . 4048 1 391 . 1 1 53 53 ALA CB C 13 18.5 . . 1 . . . . . . . . 4048 1 392 . 1 1 53 53 ALA N N 15 121.6 . . 1 . . . . . . . . 4048 1 393 . 1 1 54 54 GLN H H 1 7.9 . . 1 . . . . . . . . 4048 1 394 . 1 1 54 54 GLN HA H 1 4.25 . . 1 . . . . . . . . 4048 1 395 . 1 1 54 54 GLN HB2 H 1 2.15 . . 2 . . . . . . . . 4048 1 396 . 1 1 54 54 GLN HB3 H 1 2.3 . . 2 . . . . . . . . 4048 1 397 . 1 1 54 54 GLN HG2 H 1 2.55 . . 1 . . . . . . . . 4048 1 398 . 1 1 54 54 GLN HG3 H 1 2.55 . . 1 . . . . . . . . 4048 1 399 . 1 1 54 54 GLN HE21 H 1 6.92 . . 2 . . . . . . . . 4048 1 400 . 1 1 54 54 GLN HE22 H 1 7.45 . . 2 . . . . . . . . 4048 1 401 . 1 1 54 54 GLN C C 13 175.2 . . 1 . . . . . . . . 4048 1 402 . 1 1 54 54 GLN CA C 13 56.5 . . 1 . . . . . . . . 4048 1 403 . 1 1 54 54 GLN CB C 13 29.00 . . 1 . . . . . . . . 4048 1 404 . 1 1 54 54 GLN CG C 13 33.3 . . 1 . . . . . . . . 4048 1 405 . 1 1 54 54 GLN N N 15 117.4 . . 1 . . . . . . . . 4048 1 406 . 1 1 54 54 GLN NE2 N 15 112.2 . . 1 . . . . . . . . 4048 1 407 . 1 1 55 55 ALA H H 1 7.85 . . 1 . . . . . . . . 4048 1 408 . 1 1 55 55 ALA HA H 1 4.4 . . 1 . . . . . . . . 4048 1 409 . 1 1 55 55 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4048 1 410 . 1 1 55 55 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4048 1 411 . 1 1 55 55 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4048 1 412 . 1 1 55 55 ALA C C 13 172.5 . . 1 . . . . . . . . 4048 1 413 . 1 1 55 55 ALA CA C 13 53.00 . . 1 . . . . . . . . 4048 1 414 . 1 1 55 55 ALA CB C 13 19.00 . . 1 . . . . . . . . 4048 1 415 . 1 1 55 55 ALA N N 15 123.00 . . 1 . . . . . . . . 4048 1 416 . 1 1 56 56 GLY H H 1 8.2 . . 1 . . . . . . . . 4048 1 417 . 1 1 56 56 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4048 1 418 . 1 1 56 56 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4048 1 419 . 1 1 56 56 GLY C C 13 174.3 . . 1 . . . . . . . . 4048 1 420 . 1 1 56 56 GLY CA C 13 45.5 . . 1 . . . . . . . . 4048 1 421 . 1 1 56 56 GLY N N 15 107.6 . . 1 . . . . . . . . 4048 1 422 . 1 1 57 57 LYS H H 1 7.92 . . 1 . . . . . . . . 4048 1 423 . 1 1 57 57 LYS HA H 1 4.00 . . 1 . . . . . . . . 4048 1 424 . 1 1 57 57 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 4048 1 425 . 1 1 57 57 LYS HB3 H 1 1.9 . . 2 . . . . . . . . 4048 1 426 . 1 1 57 57 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 4048 1 427 . 1 1 57 57 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 4048 1 428 . 1 1 57 57 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4048 1 429 . 1 1 57 57 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4048 1 430 . 1 1 57 57 LYS HE2 H 1 3.25 . . 1 . . . . . . . . 4048 1 431 . 1 1 57 57 LYS HE3 H 1 3.25 . . 1 . . . . . . . . 4048 1 432 . 1 1 57 57 LYS C C 13 170.2 . . 1 . . . . . . . . 4048 1 433 . 1 1 57 57 LYS CA C 13 56.00 . . 1 . . . . . . . . 4048 1 434 . 1 1 57 57 LYS CB C 13 33.00 . . 1 . . . . . . . . 4048 1 435 . 1 1 57 57 LYS N N 15 120.7 . . 1 . . . . . . . . 4048 1 436 . 1 1 58 58 GLU H H 1 8.36 . . 1 . . . . . . . . 4048 1 437 . 1 1 58 58 GLU HA H 1 4.63 . . 1 . . . . . . . . 4048 1 438 . 1 1 58 58 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4048 1 439 . 1 1 58 58 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 4048 1 440 . 1 1 58 58 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 4048 1 441 . 1 1 58 58 GLU HG3 H 1 2.49 . . 2 . . . . . . . . 4048 1 442 . 1 1 58 58 GLU C C 13 172.2 . . 1 . . . . . . . . 4048 1 443 . 1 1 58 58 GLU CA C 13 54.5 . . 1 . . . . . . . . 4048 1 444 . 1 1 58 58 GLU CB C 13 29.8 . . 1 . . . . . . . . 4048 1 445 . 1 1 58 58 GLU CG C 13 35.9 . . 1 . . . . . . . . 4048 1 446 . 1 1 58 58 GLU N N 15 123.4 . . 1 . . . . . . . . 4048 1 stop_ save_