data_19771 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19771 _Entry.Title ; Solution structure of CPEB1 ZZ domain in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-06 _Entry.Accession_date 2014-02-06 _Entry.Last_release_date 2014-07-21 _Entry.Original_release_date 2014-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tariq Afroz . . . 19771 2 Lenka Skrisovska . . . 19771 3 Eulalia Belloc . . . 19771 4 Jordina Boixet . G. . 19771 5 Raul Mendez . . . 19771 6 Frederic Allain . H.-T . 19771 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19771 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CPEB1 . 19771 CPEB4 . 19771 'Cytoplasmic Polyadenylation Element' . 19771 RRM . 19771 'Translation regulation' . 19771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 19771 '15N chemical shifts' 59 19771 '1H chemical shifts' 334 19771 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 . . 2014-07-21 2014-02-06 original author . 19771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19775 CPEB1RRM12 19771 BMRB 19776 'CPEB4RRM12 in complex with RNA' 19771 BMRB 19777 'CPEB4RRM12 in free state' 19771 BMRB 19778 'CPEB1RRM12 in complex with RNA' 19771 PDB 2MKE 'BMRB Entry Tracking System' 19771 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19771 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24990967 _Citation.Full_citation . _Citation.Title 'A fly trap mechanism provides sequence-specific RNA recognition by CPEB proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 13 _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 1498 _Citation.Page_last 1514 _Citation.Year 2014 _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 Tariq Afroz . . . 19771 1 2 Lenka Skrisovska . . . 19771 1 3 Eulalia Belloc . . . 19771 1 4 Jordina Boixet . G. . 19771 1 5 Raul Mendez . . . 19771 1 6 Frederic Allain . H.-T . 19771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19771 _Assembly.ID 1 _Assembly.Name CPEB1ZZ _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CPEB1ZZ 1 $CPEB1ZZ A . yes native no no . . . 19771 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19771 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CPEB1ZZ _Entity.Sf_category entity _Entity.Sf_framecode CPEB1ZZ _Entity.Entry_ID 19771 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CPEB1ZZ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IDPYLEDSLCHICSSQPGPF FCRDQVCFKYFCRSCWHWRH SMEGLRHHSPLMRNQKNRDS S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7387.450 _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 BMRB 18840 . CPEB1-ZZ_G-P-504-566 . . . . . 100.00 65 100.00 100.00 7.22e-37 . . . . 19771 1 2 no PDB 2M13 . "The Zz Domain Of Cytoplasmic Polyadenylation Element Binding Protein 1 (cpeb1)" . . . . . 100.00 65 100.00 100.00 7.22e-37 . . . . 19771 1 3 no PDB 2MKE . "Solution Structure Of Cpeb1 Zz Domain In The Free State" . . . . . 100.00 61 100.00 100.00 7.78e-37 . . . . 19771 1 4 no DBJ BAB14496 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 486 100.00 100.00 3.38e-36 . . . . 19771 1 5 no DBJ BAB33089 . "hypothetical protein [Macaca fascicularis]" . . . . . 100.00 186 100.00 100.00 3.51e-38 . . . . 19771 1 6 no DBJ BAC37017 . "unnamed protein product [Mus musculus]" . . . . . 93.44 140 98.25 98.25 7.78e-35 . . . . 19771 1 7 no DBJ BAG63194 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 335 100.00 100.00 1.01e-36 . . . . 19771 1 8 no DBJ BAH11723 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 564 100.00 100.00 4.63e-36 . . . . 19771 1 9 no EMBL CAA69588 . "cytoplasmic polyadenylation element-binding protein (CPEB) [Mus musculus]" . . . . . 93.44 561 98.25 98.25 1.66e-32 . . . . 19771 1 10 no EMBL CAH92427 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 486 100.00 100.00 3.09e-36 . . . . 19771 1 11 no GB AAH35348 . "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" . . . . . 100.00 486 100.00 100.00 3.41e-36 . . . . 19771 1 12 no GB AAH50629 . "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" . . . . . 100.00 561 100.00 100.00 4.99e-36 . . . . 19771 1 13 no GB AAI25477 . "Cytoplasmic polyadenylation element binding protein 1 [Mus musculus]" . . . . . 93.44 562 98.25 98.25 1.56e-32 . . . . 19771 1 14 no GB AAK01239 . "cytoplasmic polyadenylation element-binding protein long form [Homo sapiens]" . . . . . 100.00 566 100.00 100.00 4.32e-36 . . . . 19771 1 15 no GB AAK01240 . "cytoplasmic polyadenylation element-binding protein short form [Homo sapiens]" . . . . . 100.00 491 100.00 100.00 3.02e-36 . . . . 19771 1 16 no REF NP_001073001 . "cytoplasmic polyadenylation element-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 100.00 491 100.00 100.00 3.02e-36 . . . . 19771 1 17 no REF NP_001073002 . "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 486 100.00 100.00 3.41e-36 . . . . 19771 1 18 no REF NP_001073003 . "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 486 100.00 100.00 3.41e-36 . . . . 19771 1 19 no REF NP_001099746 . "cytoplasmic polyadenylation element-binding protein 1 [Rattus norvegicus]" . . . . . 93.44 561 98.25 98.25 1.79e-32 . . . . 19771 1 20 no REF NP_001126432 . "cytoplasmic polyadenylation element-binding protein 1 [Pongo abelii]" . . . . . 100.00 486 100.00 100.00 3.09e-36 . . . . 19771 1 21 no SP P0C279 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=CPEB; Sh" . . . . . 93.44 561 98.25 98.25 1.79e-32 . . . . 19771 1 22 no SP P70166 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=mCPEB; S" . . . . . 93.44 561 98.25 98.25 1.66e-32 . . . . 19771 1 23 no SP Q5R733 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=CPEB-1" . . . . . 100.00 486 100.00 100.00 3.09e-36 . . . . 19771 1 24 no SP Q9BZB8 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=h-CPEB; " . . . . . 100.00 566 100.00 100.00 4.32e-36 . . . . 19771 1 25 no TPG DAA17635 . "TPA: cytoplasmic polyadenylation element binding protein 1-like [Bos taurus]" . . . . . 100.00 486 98.36 100.00 7.71e-36 . . . . 19771 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 1 426 ILE . 19771 1 2 427 ASP . 19771 1 3 428 PRO . 19771 1 4 429 TYR . 19771 1 5 430 LEU . 19771 1 6 431 GLU . 19771 1 7 432 ASP . 19771 1 8 433 SER . 19771 1 9 434 LEU . 19771 1 10 435 CYS . 19771 1 11 436 HIS . 19771 1 12 437 ILE . 19771 1 13 438 CYS . 19771 1 14 439 SER . 19771 1 15 440 SER . 19771 1 16 441 GLN . 19771 1 17 442 PRO . 19771 1 18 443 GLY . 19771 1 19 444 PRO . 19771 1 20 445 PHE . 19771 1 21 446 PHE . 19771 1 22 447 CYS . 19771 1 23 448 ARG . 19771 1 24 449 ASP . 19771 1 25 450 GLN . 19771 1 26 451 VAL . 19771 1 27 452 CYS . 19771 1 28 453 PHE . 19771 1 29 454 LYS . 19771 1 30 455 TYR . 19771 1 31 456 PHE . 19771 1 32 457 CYS . 19771 1 33 458 ARG . 19771 1 34 459 SER . 19771 1 35 460 CYS . 19771 1 36 461 TRP . 19771 1 37 462 HIS . 19771 1 38 463 TRP . 19771 1 39 464 ARG . 19771 1 40 465 HIS . 19771 1 41 466 SER . 19771 1 42 467 MET . 19771 1 43 468 GLU . 19771 1 44 469 GLY . 19771 1 45 470 LEU . 19771 1 46 471 ARG . 19771 1 47 472 HIS . 19771 1 48 473 HIS . 19771 1 49 474 SER . 19771 1 50 475 PRO . 19771 1 51 476 LEU . 19771 1 52 477 MET . 19771 1 53 478 ARG . 19771 1 54 479 ASN . 19771 1 55 480 GLN . 19771 1 56 481 LYS . 19771 1 57 482 ASN . 19771 1 58 483 ARG . 19771 1 59 484 ASP . 19771 1 60 485 SER . 19771 1 61 486 SER . 19771 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 . ILE 1 1 19771 1 . ASP 2 2 19771 1 . PRO 3 3 19771 1 . TYR 4 4 19771 1 . LEU 5 5 19771 1 . GLU 6 6 19771 1 . ASP 7 7 19771 1 . SER 8 8 19771 1 . LEU 9 9 19771 1 . CYS 10 10 19771 1 . HIS 11 11 19771 1 . ILE 12 12 19771 1 . CYS 13 13 19771 1 . SER 14 14 19771 1 . SER 15 15 19771 1 . GLN 16 16 19771 1 . PRO 17 17 19771 1 . GLY 18 18 19771 1 . PRO 19 19 19771 1 . PHE 20 20 19771 1 . PHE 21 21 19771 1 . CYS 22 22 19771 1 . ARG 23 23 19771 1 . ASP 24 24 19771 1 . GLN 25 25 19771 1 . VAL 26 26 19771 1 . CYS 27 27 19771 1 . PHE 28 28 19771 1 . LYS 29 29 19771 1 . TYR 30 30 19771 1 . PHE 31 31 19771 1 . CYS 32 32 19771 1 . ARG 33 33 19771 1 . SER 34 34 19771 1 . CYS 35 35 19771 1 . TRP 36 36 19771 1 . HIS 37 37 19771 1 . TRP 38 38 19771 1 . ARG 39 39 19771 1 . HIS 40 40 19771 1 . SER 41 41 19771 1 . MET 42 42 19771 1 . GLU 43 43 19771 1 . GLY 44 44 19771 1 . LEU 45 45 19771 1 . ARG 46 46 19771 1 . HIS 47 47 19771 1 . HIS 48 48 19771 1 . SER 49 49 19771 1 . PRO 50 50 19771 1 . LEU 51 51 19771 1 . MET 52 52 19771 1 . ARG 53 53 19771 1 . ASN 54 54 19771 1 . GLN 55 55 19771 1 . LYS 56 56 19771 1 . ASN 57 57 19771 1 . ARG 58 58 19771 1 . ASP 59 59 19771 1 . SER 60 60 19771 1 . SER 61 61 19771 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19771 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19771 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19771 2 ZN 'Three letter code' 19771 2 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 1 ZN $chem_comp_ZN 19771 2 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 19771 _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 $CPEB1ZZ . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19771 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 19771 _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 $CPEB1ZZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28A(+) . . . . . . 19771 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19771 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19771 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19771 ZN [Zn++] SMILES CACTVS 3.341 19771 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19771 ZN [Zn+2] SMILES ACDLabs 10.04 19771 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19771 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19771 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19771 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19771 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19771 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19771 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPEB1ZZ '[U-100% 13C; U-100% 15N]' . . 1 $CPEB1ZZ . . . 0.4 0.6 mM . . . . 19771 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19771 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19771 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19771 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19771 1 6 Arg 'natural abundance' . . . . . . 50 . . mM . . . . 19771 1 7 Glu 'natural abundance' . . . . . . 50 . . mM . . . . 19771 1 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19771 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19771 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CPEB1ZZ '[U-100% 15N]' . . 1 $CPEB1ZZ . . . 0.4 0.6 mM . . . . 19771 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19771 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19771 2 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19771 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19771 2 6 Arg 'natural abundance' . . . . . . 50 . . mM . . . . 19771 2 7 Glu 'natural abundance' . . . . . . 50 . . mM . . . . 19771 2 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19771 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19771 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 19771 1 pH 6.5 . pH 19771 1 pressure 1 . atm 19771 1 temperature 303 . K 19771 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19771 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19771 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19771 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19771 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19771 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19771 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19771 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19771 1 2 spectrometer_2 Bruker Avance . 700 . . . 19771 1 3 spectrometer_3 Bruker Avance . 600 . . . 19771 1 4 spectrometer_4 Bruker Avance . 500 . . . 19771 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 19771 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19771 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19771 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19771 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19771 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19771 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19771 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19771 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19771 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19771 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19771 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19771 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19771 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19771 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19771 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19771 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19771 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19771 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19771 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $sample_2 . 19771 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19771 1 4 '2D 1H-13C HSQC aromatic' 1 $sample_1 . 19771 1 5 '2D 1H-1H TOCSY' 2 $sample_2 . 19771 1 6 '3D CBCA(CO)NH' 1 $sample_1 . 19771 1 7 '3D HNCO' 1 $sample_1 . 19771 1 8 '3D HNCA' 1 $sample_1 . 19771 1 9 '3D HNCACB' 1 $sample_1 . 19771 1 10 '3D HCCH-TOCSY' 1 $sample_1 . 19771 1 11 '3D 1H-15N NOESY' 2 $sample_2 . 19771 1 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19771 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19771 1 14 '2D 1H-1H NOESY' 2 $sample_2 . 19771 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 ILE HA H 1 4.253 0.006 . 1 . . . A 426 ILE HA . 19771 1 2 . 1 1 1 1 ILE HB H 1 1.805 0.005 . 1 . . . A 426 ILE HB . 19771 1 3 . 1 1 1 1 ILE HG21 H 1 0.803 0.003 . 1 . . . A 426 ILE HG21 . 19771 1 4 . 1 1 1 1 ILE HG22 H 1 0.803 0.003 . 1 . . . A 426 ILE HG22 . 19771 1 5 . 1 1 1 1 ILE HG23 H 1 0.803 0.003 . 1 . . . A 426 ILE HG23 . 19771 1 6 . 1 1 1 1 ILE HD11 H 1 0.777 0.010 . 1 . . . A 426 ILE HD11 . 19771 1 7 . 1 1 1 1 ILE HD12 H 1 0.777 0.010 . 1 . . . A 426 ILE HD12 . 19771 1 8 . 1 1 1 1 ILE HD13 H 1 0.777 0.010 . 1 . . . A 426 ILE HD13 . 19771 1 9 . 1 1 1 1 ILE H H 1 8.090 0.012 . 1 . . . A 426 ILE H1 . 19771 1 10 . 1 1 1 1 ILE CA C 13 60.729 0.001 . 1 . . . A 426 ILE CA . 19771 1 11 . 1 1 1 1 ILE CB C 13 39.039 0.025 . 1 . . . A 426 ILE CB . 19771 1 12 . 1 1 1 1 ILE CG2 C 13 17.559 0.006 . 1 . . . A 426 ILE CG2 . 19771 1 13 . 1 1 1 1 ILE CD1 C 13 12.995 0.040 . 1 . . . A 426 ILE CD1 . 19771 1 14 . 1 1 1 1 ILE N N 15 121.884 0.048 . 1 . . . A 426 ILE N . 19771 1 15 . 1 1 2 2 ASP H H 1 8.293 0.008 . 1 . . . A 427 ASP H . 19771 1 16 . 1 1 2 2 ASP HA H 1 4.829 0.006 . 1 . . . A 427 ASP HA . 19771 1 17 . 1 1 2 2 ASP HB2 H 1 2.673 0.005 . 1 . . . A 427 ASP HB2 . 19771 1 18 . 1 1 2 2 ASP HB3 H 1 2.471 0.005 . 1 . . . A 427 ASP HB3 . 19771 1 19 . 1 1 2 2 ASP CA C 13 52.150 0.000 . 1 . . . A 427 ASP CA . 19771 1 20 . 1 1 2 2 ASP CB C 13 41.537 0.024 . 1 . . . A 427 ASP CB . 19771 1 21 . 1 1 2 2 ASP N N 15 125.779 0.033 . 1 . . . A 427 ASP N . 19771 1 22 . 1 1 3 3 PRO HA H 1 4.229 0.006 . 1 . . . A 428 PRO HA . 19771 1 23 . 1 1 3 3 PRO HB2 H 1 1.990 0.004 . 1 . . . A 428 PRO HB2 . 19771 1 24 . 1 1 3 3 PRO HB3 H 1 1.490 0.007 . 1 . . . A 428 PRO HB3 . 19771 1 25 . 1 1 3 3 PRO HG2 H 1 1.793 0.004 . 1 . . . A 428 PRO HG2 . 19771 1 26 . 1 1 3 3 PRO HG3 H 1 1.793 0.004 . 1 . . . A 428 PRO HG3 . 19771 1 27 . 1 1 3 3 PRO HD2 H 1 3.732 0.001 . 1 . . . A 428 PRO HD2 . 19771 1 28 . 1 1 3 3 PRO HD3 H 1 3.732 0.001 . 1 . . . A 428 PRO HD3 . 19771 1 29 . 1 1 3 3 PRO CA C 13 63.337 0.037 . 1 . . . A 428 PRO CA . 19771 1 30 . 1 1 3 3 PRO CB C 13 32.019 0.017 . 1 . . . A 428 PRO CB . 19771 1 31 . 1 1 3 3 PRO CG C 13 26.851 0.000 . 1 . . . A 428 PRO CG . 19771 1 32 . 1 1 3 3 PRO CD C 13 50.580 0.000 . 1 . . . A 428 PRO CD . 19771 1 33 . 1 1 4 4 TYR H H 1 8.136 0.010 . 1 . . . A 429 TYR H . 19771 1 34 . 1 1 4 4 TYR HA H 1 4.421 0.005 . 1 . . . A 429 TYR HA . 19771 1 35 . 1 1 4 4 TYR HB2 H 1 3.005 0.011 . 1 . . . A 429 TYR HB2 . 19771 1 36 . 1 1 4 4 TYR HB3 H 1 2.858 0.006 . 1 . . . A 429 TYR HB3 . 19771 1 37 . 1 1 4 4 TYR HD1 H 1 7.040 0.007 . 1 . . . A 429 TYR HD1 . 19771 1 38 . 1 1 4 4 TYR HE1 H 1 6.735 0.003 . 1 . . . A 429 TYR HE1 . 19771 1 39 . 1 1 4 4 TYR CA C 13 57.961 0.030 . 1 . . . A 429 TYR CA . 19771 1 40 . 1 1 4 4 TYR CB C 13 37.968 0.031 . 1 . . . A 429 TYR CB . 19771 1 41 . 1 1 4 4 TYR CD1 C 13 133.053 0.013 . 1 . . . A 429 TYR CD1 . 19771 1 42 . 1 1 4 4 TYR CE1 C 13 118.225 0.023 . 1 . . . A 429 TYR CE1 . 19771 1 43 . 1 1 4 4 TYR N N 15 119.152 0.024 . 1 . . . A 429 TYR N . 19771 1 44 . 1 1 5 5 LEU H H 1 7.596 0.009 . 1 . . . A 430 LEU H . 19771 1 45 . 1 1 5 5 LEU HA H 1 4.205 0.004 . 1 . . . A 430 LEU HA . 19771 1 46 . 1 1 5 5 LEU HB2 H 1 1.530 0.010 . 1 . . . A 430 LEU HB2 . 19771 1 47 . 1 1 5 5 LEU HB3 H 1 1.440 0.009 . 1 . . . A 430 LEU HB3 . 19771 1 48 . 1 1 5 5 LEU HG H 1 1.547 0.001 . 1 . . . A 430 LEU HG . 19771 1 49 . 1 1 5 5 LEU HD11 H 1 0.787 0.005 . 1 . . . A 430 LEU HD11 . 19771 1 50 . 1 1 5 5 LEU HD12 H 1 0.787 0.005 . 1 . . . A 430 LEU HD12 . 19771 1 51 . 1 1 5 5 LEU HD13 H 1 0.787 0.005 . 1 . . . A 430 LEU HD13 . 19771 1 52 . 1 1 5 5 LEU HD21 H 1 0.628 0.004 . 1 . . . A 430 LEU HD21 . 19771 1 53 . 1 1 5 5 LEU HD22 H 1 0.628 0.004 . 1 . . . A 430 LEU HD22 . 19771 1 54 . 1 1 5 5 LEU HD23 H 1 0.628 0.004 . 1 . . . A 430 LEU HD23 . 19771 1 55 . 1 1 5 5 LEU CA C 13 54.950 0.037 . 1 . . . A 430 LEU CA . 19771 1 56 . 1 1 5 5 LEU CB C 13 42.474 0.034 . 1 . . . A 430 LEU CB . 19771 1 57 . 1 1 5 5 LEU CG C 13 24.492 0.000 . 1 . . . A 430 LEU CG . 19771 1 58 . 1 1 5 5 LEU CD1 C 13 25.384 0.035 . 1 . . . A 430 LEU CD1 . 19771 1 59 . 1 1 5 5 LEU CD2 C 13 23.217 0.036 . 1 . . . A 430 LEU CD2 . 19771 1 60 . 1 1 5 5 LEU N N 15 122.733 0.029 . 1 . . . A 430 LEU N . 19771 1 61 . 1 1 6 6 GLU H H 1 8.157 0.000 . 1 . . . A 431 GLU H . 19771 1 62 . 1 1 6 6 GLU N N 15 120.614 0.020 . 1 . . . A 431 GLU N . 19771 1 63 . 1 1 7 7 ASP HA H 1 4.387 0.006 . 1 . . . A 432 ASP HA . 19771 1 64 . 1 1 7 7 ASP HB2 H 1 2.472 0.019 . 1 . . . A 432 ASP HB2 . 19771 1 65 . 1 1 7 7 ASP HB3 H 1 2.472 0.019 . 1 . . . A 432 ASP HB3 . 19771 1 66 . 1 1 7 7 ASP CA C 13 54.365 0.028 . 1 . . . A 432 ASP CA . 19771 1 67 . 1 1 7 7 ASP CB C 13 41.027 0.037 . 1 . . . A 432 ASP CB . 19771 1 68 . 1 1 8 8 SER H H 1 7.926 0.009 . 1 . . . A 433 SER H . 19771 1 69 . 1 1 8 8 SER HA H 1 4.222 0.010 . 1 . . . A 433 SER HA . 19771 1 70 . 1 1 8 8 SER HB2 H 1 3.031 0.020 . 1 . . . A 433 SER HB2 . 19771 1 71 . 1 1 8 8 SER HB3 H 1 2.991 0.019 . 1 . . . A 433 SER HB3 . 19771 1 72 . 1 1 8 8 SER CA C 13 57.811 0.019 . 1 . . . A 433 SER CA . 19771 1 73 . 1 1 8 8 SER CB C 13 64.342 0.041 . 1 . . . A 433 SER CB . 19771 1 74 . 1 1 8 8 SER N N 15 116.511 0.078 . 1 . . . A 433 SER N . 19771 1 75 . 1 1 9 9 LEU H H 1 8.161 0.006 . 1 . . . A 434 LEU H . 19771 1 76 . 1 1 9 9 LEU HA H 1 4.301 0.014 . 1 . . . A 434 LEU HA . 19771 1 77 . 1 1 9 9 LEU HB2 H 1 1.597 0.003 . 1 . . . A 434 LEU HB2 . 19771 1 78 . 1 1 9 9 LEU HB3 H 1 1.155 0.002 . 1 . . . A 434 LEU HB3 . 19771 1 79 . 1 1 9 9 LEU HG H 1 1.553 0.007 . 1 . . . A 434 LEU HG . 19771 1 80 . 1 1 9 9 LEU HD11 H 1 0.521 0.006 . 1 . . . A 434 LEU HD11 . 19771 1 81 . 1 1 9 9 LEU HD12 H 1 0.521 0.006 . 1 . . . A 434 LEU HD12 . 19771 1 82 . 1 1 9 9 LEU HD13 H 1 0.521 0.006 . 1 . . . A 434 LEU HD13 . 19771 1 83 . 1 1 9 9 LEU HD21 H 1 0.709 0.005 . 1 . . . A 434 LEU HD21 . 19771 1 84 . 1 1 9 9 LEU HD22 H 1 0.709 0.005 . 1 . . . A 434 LEU HD22 . 19771 1 85 . 1 1 9 9 LEU HD23 H 1 0.709 0.005 . 1 . . . A 434 LEU HD23 . 19771 1 86 . 1 1 9 9 LEU CA C 13 54.780 0.025 . 1 . . . A 434 LEU CA . 19771 1 87 . 1 1 9 9 LEU CB C 13 43.682 0.018 . 1 . . . A 434 LEU CB . 19771 1 88 . 1 1 9 9 LEU CG C 13 26.816 0.026 . 1 . . . A 434 LEU CG . 19771 1 89 . 1 1 9 9 LEU CD1 C 13 22.714 0.014 . 1 . . . A 434 LEU CD1 . 19771 1 90 . 1 1 9 9 LEU CD2 C 13 25.086 0.000 . 1 . . . A 434 LEU CD2 . 19771 1 91 . 1 1 9 9 LEU N N 15 124.239 0.026 . 1 . . . A 434 LEU N . 19771 1 92 . 1 1 10 10 CYS H H 1 8.341 0.005 . 1 . . . A 435 CYS H . 19771 1 93 . 1 1 10 10 CYS HA H 1 3.767 0.009 . 1 . . . A 435 CYS HA . 19771 1 94 . 1 1 10 10 CYS HB2 H 1 3.389 0.006 . 1 . . . A 435 CYS HB2 . 19771 1 95 . 1 1 10 10 CYS HB3 H 1 2.766 0.006 . 1 . . . A 435 CYS HB3 . 19771 1 96 . 1 1 10 10 CYS CA C 13 60.505 0.028 . 1 . . . A 435 CYS CA . 19771 1 97 . 1 1 10 10 CYS CB C 13 31.833 0.029 . 1 . . . A 435 CYS CB . 19771 1 98 . 1 1 10 10 CYS N N 15 121.658 0.051 . 1 . . . A 435 CYS N . 19771 1 99 . 1 1 11 11 HIS H H 1 9.087 0.007 . 1 . . . A 436 HIS H . 19771 1 100 . 1 1 11 11 HIS HA H 1 4.436 0.008 . 1 . . . A 436 HIS HA . 19771 1 101 . 1 1 11 11 HIS HB2 H 1 3.176 0.018 . 1 . . . A 436 HIS HB2 . 19771 1 102 . 1 1 11 11 HIS HB3 H 1 3.053 0.020 . 1 . . . A 436 HIS HB3 . 19771 1 103 . 1 1 11 11 HIS HD2 H 1 7.248 0.005 . 1 . . . A 436 HIS HD2 . 19771 1 104 . 1 1 11 11 HIS HE1 H 1 7.937 0.006 . 1 . . . A 436 HIS HE1 . 19771 1 105 . 1 1 11 11 HIS CA C 13 58.775 0.025 . 1 . . . A 436 HIS CA . 19771 1 106 . 1 1 11 11 HIS CB C 13 32.431 0.017 . 1 . . . A 436 HIS CB . 19771 1 107 . 1 1 11 11 HIS CD2 C 13 118.737 0.042 . 1 . . . A 436 HIS CD2 . 19771 1 108 . 1 1 11 11 HIS CE1 C 13 138.900 0.000 . 1 . . . A 436 HIS CE1 . 19771 1 109 . 1 1 11 11 HIS N N 15 129.654 0.039 . 1 . . . A 436 HIS N . 19771 1 110 . 1 1 12 12 ILE H H 1 9.294 0.010 . 1 . . . A 437 ILE H . 19771 1 111 . 1 1 12 12 ILE HA H 1 4.122 0.006 . 1 . . . A 437 ILE HA . 19771 1 112 . 1 1 12 12 ILE HB H 1 2.864 0.003 . 1 . . . A 437 ILE HB . 19771 1 113 . 1 1 12 12 ILE HG12 H 1 1.534 0.012 . 1 . . . A 437 ILE HG12 . 19771 1 114 . 1 1 12 12 ILE HG13 H 1 1.534 0.012 . 1 . . . A 437 ILE HG13 . 19771 1 115 . 1 1 12 12 ILE HG21 H 1 0.838 0.024 . 1 . . . A 437 ILE HG21 . 19771 1 116 . 1 1 12 12 ILE HG22 H 1 0.838 0.024 . 1 . . . A 437 ILE HG22 . 19771 1 117 . 1 1 12 12 ILE HG23 H 1 0.838 0.024 . 1 . . . A 437 ILE HG23 . 19771 1 118 . 1 1 12 12 ILE HD11 H 1 0.783 0.011 . 1 . . . A 437 ILE HD11 . 19771 1 119 . 1 1 12 12 ILE HD12 H 1 0.783 0.011 . 1 . . . A 437 ILE HD12 . 19771 1 120 . 1 1 12 12 ILE HD13 H 1 0.783 0.011 . 1 . . . A 437 ILE HD13 . 19771 1 121 . 1 1 12 12 ILE CA C 13 61.632 0.038 . 1 . . . A 437 ILE CA . 19771 1 122 . 1 1 12 12 ILE CB C 13 35.149 0.049 . 1 . . . A 437 ILE CB . 19771 1 123 . 1 1 12 12 ILE CG1 C 13 28.344 0.011 . 1 . . . A 437 ILE CG1 . 19771 1 124 . 1 1 12 12 ILE CG2 C 13 18.264 0.028 . 1 . . . A 437 ILE CG2 . 19771 1 125 . 1 1 12 12 ILE CD1 C 13 9.917 0.038 . 1 . . . A 437 ILE CD1 . 19771 1 126 . 1 1 12 12 ILE N N 15 121.647 0.053 . 1 . . . A 437 ILE N . 19771 1 127 . 1 1 13 13 CYS H H 1 8.503 0.008 . 1 . . . A 438 CYS H . 19771 1 128 . 1 1 13 13 CYS HA H 1 4.719 0.004 . 1 . . . A 438 CYS HA . 19771 1 129 . 1 1 13 13 CYS HB2 H 1 3.155 0.003 . 1 . . . A 438 CYS HB2 . 19771 1 130 . 1 1 13 13 CYS HB3 H 1 2.762 0.006 . 1 . . . A 438 CYS HB3 . 19771 1 131 . 1 1 13 13 CYS CB C 13 31.931 0.030 . 1 . . . A 438 CYS CB . 19771 1 132 . 1 1 13 13 CYS N N 15 118.756 0.033 . 1 . . . A 438 CYS N . 19771 1 133 . 1 1 14 14 SER H H 1 7.561 0.010 . 1 . . . A 439 SER H . 19771 1 134 . 1 1 14 14 SER HA H 1 4.348 0.010 . 1 . . . A 439 SER HA . 19771 1 135 . 1 1 14 14 SER HB2 H 1 4.050 0.003 . 1 . . . A 439 SER HB2 . 19771 1 136 . 1 1 14 14 SER HB3 H 1 3.901 0.005 . 1 . . . A 439 SER HB3 . 19771 1 137 . 1 1 14 14 SER CA C 13 60.131 0.015 . 1 . . . A 439 SER CA . 19771 1 138 . 1 1 14 14 SER CB C 13 62.642 0.023 . 1 . . . A 439 SER CB . 19771 1 139 . 1 1 14 14 SER N N 15 116.341 0.027 . 1 . . . A 439 SER N . 19771 1 140 . 1 1 15 15 SER H H 1 8.272 0.007 . 1 . . . A 440 SER H . 19771 1 141 . 1 1 15 15 SER HA H 1 4.777 0.007 . 1 . . . A 440 SER HA . 19771 1 142 . 1 1 15 15 SER HB2 H 1 3.948 0.013 . 1 . . . A 440 SER HB2 . 19771 1 143 . 1 1 15 15 SER HB3 H 1 3.877 0.012 . 1 . . . A 440 SER HB3 . 19771 1 144 . 1 1 15 15 SER CA C 13 58.703 0.036 . 1 . . . A 440 SER CA . 19771 1 145 . 1 1 15 15 SER CB C 13 65.681 0.027 . 1 . . . A 440 SER CB . 19771 1 146 . 1 1 15 15 SER N N 15 113.455 0.040 . 1 . . . A 440 SER N . 19771 1 147 . 1 1 16 16 GLN H H 1 7.355 0.008 . 1 . . . A 441 GLN H . 19771 1 148 . 1 1 16 16 GLN HA H 1 4.865 0.012 . 1 . . . A 441 GLN HA . 19771 1 149 . 1 1 16 16 GLN HB2 H 1 2.314 0.008 . 1 . . . A 441 GLN HB2 . 19771 1 150 . 1 1 16 16 GLN HB3 H 1 1.875 0.005 . 1 . . . A 441 GLN HB3 . 19771 1 151 . 1 1 16 16 GLN HG2 H 1 2.475 0.031 . 1 . . . A 441 GLN HG2 . 19771 1 152 . 1 1 16 16 GLN HG3 H 1 2.414 0.030 . 1 . . . A 441 GLN HG3 . 19771 1 153 . 1 1 16 16 GLN HE21 H 1 7.738 0.006 . 1 . . . A 441 GLN HE21 . 19771 1 154 . 1 1 16 16 GLN HE22 H 1 6.925 0.001 . 1 . . . A 441 GLN HE22 . 19771 1 155 . 1 1 16 16 GLN CA C 13 52.802 0.025 . 1 . . . A 441 GLN CA . 19771 1 156 . 1 1 16 16 GLN CB C 13 30.560 0.043 . 1 . . . A 441 GLN CB . 19771 1 157 . 1 1 16 16 GLN CG C 13 33.310 0.038 . 1 . . . A 441 GLN CG . 19771 1 158 . 1 1 16 16 GLN N N 15 118.674 0.055 . 1 . . . A 441 GLN N . 19771 1 159 . 1 1 16 16 GLN NE2 N 15 114.095 0.012 . 1 . . . A 441 GLN NE2 . 19771 1 160 . 1 1 17 17 PRO HA H 1 4.349 0.009 . 1 . . . A 442 PRO HA . 19771 1 161 . 1 1 17 17 PRO HB2 H 1 2.334 0.005 . 1 . . . A 442 PRO HB2 . 19771 1 162 . 1 1 17 17 PRO HB3 H 1 2.334 0.005 . 1 . . . A 442 PRO HB3 . 19771 1 163 . 1 1 17 17 PRO HG2 H 1 2.104 0.006 . 1 . . . A 442 PRO HG2 . 19771 1 164 . 1 1 17 17 PRO HG3 H 1 1.901 0.005 . 1 . . . A 442 PRO HG3 . 19771 1 165 . 1 1 17 17 PRO HD2 H 1 3.823 0.005 . 1 . . . A 442 PRO HD2 . 19771 1 166 . 1 1 17 17 PRO HD3 H 1 3.658 0.004 . 1 . . . A 442 PRO HD3 . 19771 1 167 . 1 1 17 17 PRO CA C 13 63.693 0.046 . 1 . . . A 442 PRO CA . 19771 1 168 . 1 1 17 17 PRO CB C 13 32.549 0.036 . 1 . . . A 442 PRO CB . 19771 1 169 . 1 1 17 17 PRO CG C 13 27.850 0.022 . 1 . . . A 442 PRO CG . 19771 1 170 . 1 1 17 17 PRO CD C 13 50.788 0.018 . 1 . . . A 442 PRO CD . 19771 1 171 . 1 1 18 18 GLY H H 1 8.819 0.005 . 1 . . . A 443 GLY H . 19771 1 172 . 1 1 18 18 GLY HA2 H 1 2.752 0.012 . 1 . . . A 443 GLY HA2 . 19771 1 173 . 1 1 18 18 GLY HA3 H 1 2.752 0.012 . 1 . . . A 443 GLY HA3 . 19771 1 174 . 1 1 18 18 GLY CA C 13 46.097 0.039 . 1 . . . A 443 GLY CA . 19771 1 175 . 1 1 18 18 GLY N N 15 110.126 0.036 . 1 . . . A 443 GLY N . 19771 1 176 . 1 1 19 19 PRO HA H 1 4.387 0.008 . 1 . . . A 444 PRO HA . 19771 1 177 . 1 1 19 19 PRO HB2 H 1 2.088 0.010 . 1 . . . A 444 PRO HB2 . 19771 1 178 . 1 1 19 19 PRO HB3 H 1 1.244 0.004 . 1 . . . A 444 PRO HB3 . 19771 1 179 . 1 1 19 19 PRO HG2 H 1 1.665 0.010 . 1 . . . A 444 PRO HG2 . 19771 1 180 . 1 1 19 19 PRO HG3 H 1 1.257 0.007 . 1 . . . A 444 PRO HG3 . 19771 1 181 . 1 1 19 19 PRO HD2 H 1 3.787 0.008 . 1 . . . A 444 PRO HD2 . 19771 1 182 . 1 1 19 19 PRO HD3 H 1 3.517 0.009 . 1 . . . A 444 PRO HD3 . 19771 1 183 . 1 1 19 19 PRO CA C 13 63.025 0.024 . 1 . . . A 444 PRO CA . 19771 1 184 . 1 1 19 19 PRO CB C 13 32.737 0.048 . 1 . . . A 444 PRO CB . 19771 1 185 . 1 1 19 19 PRO CG C 13 26.360 0.022 . 1 . . . A 444 PRO CG . 19771 1 186 . 1 1 19 19 PRO CD C 13 51.261 0.020 . 1 . . . A 444 PRO CD . 19771 1 187 . 1 1 20 20 PHE H H 1 8.066 0.008 . 1 . . . A 445 PHE H . 19771 1 188 . 1 1 20 20 PHE HA H 1 4.962 0.015 . 1 . . . A 445 PHE HA . 19771 1 189 . 1 1 20 20 PHE HB2 H 1 3.470 0.010 . 1 . . . A 445 PHE HB2 . 19771 1 190 . 1 1 20 20 PHE HB3 H 1 2.548 0.007 . 1 . . . A 445 PHE HB3 . 19771 1 191 . 1 1 20 20 PHE HD2 H 1 6.940 0.007 . 1 . . . A 445 PHE HD2 . 19771 1 192 . 1 1 20 20 PHE HE2 H 1 7.205 0.007 . 1 . . . A 445 PHE HE2 . 19771 1 193 . 1 1 20 20 PHE HZ H 1 7.212 0.001 . 1 . . . A 445 PHE HZ . 19771 1 194 . 1 1 20 20 PHE CA C 13 56.014 0.025 . 1 . . . A 445 PHE CA . 19771 1 195 . 1 1 20 20 PHE CB C 13 40.028 0.025 . 1 . . . A 445 PHE CB . 19771 1 196 . 1 1 20 20 PHE CD2 C 13 131.030 0.078 . 1 . . . A 445 PHE CD2 . 19771 1 197 . 1 1 20 20 PHE CE2 C 13 131.066 0.047 . 1 . . . A 445 PHE CE2 . 19771 1 198 . 1 1 20 20 PHE CZ C 13 129.694 0.000 . 1 . . . A 445 PHE CZ . 19771 1 199 . 1 1 20 20 PHE N N 15 116.262 0.030 . 1 . . . A 445 PHE N . 19771 1 200 . 1 1 21 21 PHE H H 1 9.446 0.011 . 1 . . . A 446 PHE H . 19771 1 201 . 1 1 21 21 PHE HA H 1 5.050 0.006 . 1 . . . A 446 PHE HA . 19771 1 202 . 1 1 21 21 PHE HB2 H 1 2.748 0.016 . 1 . . . A 446 PHE HB2 . 19771 1 203 . 1 1 21 21 PHE HB3 H 1 2.748 0.016 . 1 . . . A 446 PHE HB3 . 19771 1 204 . 1 1 21 21 PHE HD2 H 1 5.746 0.008 . 1 . . . A 446 PHE HD2 . 19771 1 205 . 1 1 21 21 PHE HE2 H 1 6.321 0.014 . 1 . . . A 446 PHE HE2 . 19771 1 206 . 1 1 21 21 PHE HZ H 1 5.388 0.004 . 1 . . . A 446 PHE HZ . 19771 1 207 . 1 1 21 21 PHE CA C 13 56.775 0.102 . 1 . . . A 446 PHE CA . 19771 1 208 . 1 1 21 21 PHE CB C 13 41.731 0.033 . 1 . . . A 446 PHE CB . 19771 1 209 . 1 1 21 21 PHE CD2 C 13 131.184 0.053 . 1 . . . A 446 PHE CD2 . 19771 1 210 . 1 1 21 21 PHE CE2 C 13 129.959 0.040 . 1 . . . A 446 PHE CE2 . 19771 1 211 . 1 1 21 21 PHE CZ C 13 128.944 0.000 . 1 . . . A 446 PHE CZ . 19771 1 212 . 1 1 21 21 PHE N N 15 126.081 0.055 . 1 . . . A 446 PHE N . 19771 1 213 . 1 1 22 22 CYS H H 1 7.729 0.014 . 1 . . . A 447 CYS H . 19771 1 214 . 1 1 22 22 CYS HA H 1 4.874 0.008 . 1 . . . A 447 CYS HA . 19771 1 215 . 1 1 22 22 CYS HB2 H 1 3.110 0.007 . 1 . . . A 447 CYS HB2 . 19771 1 216 . 1 1 22 22 CYS HB3 H 1 2.960 0.006 . 1 . . . A 447 CYS HB3 . 19771 1 217 . 1 1 22 22 CYS CA C 13 58.263 0.020 . 1 . . . A 447 CYS CA . 19771 1 218 . 1 1 22 22 CYS CB C 13 30.994 0.040 . 1 . . . A 447 CYS CB . 19771 1 219 . 1 1 22 22 CYS N N 15 128.746 0.061 . 1 . . . A 447 CYS N . 19771 1 220 . 1 1 23 23 ARG H H 1 8.783 0.013 . 1 . . . A 448 ARG H . 19771 1 221 . 1 1 23 23 ARG HA H 1 4.080 0.005 . 1 . . . A 448 ARG HA . 19771 1 222 . 1 1 23 23 ARG HB2 H 1 1.820 0.000 . 1 . . . A 448 ARG HB2 . 19771 1 223 . 1 1 23 23 ARG HB3 H 1 1.820 0.000 . 1 . . . A 448 ARG HB3 . 19771 1 224 . 1 1 23 23 ARG HG2 H 1 1.993 0.013 . 1 . . . A 448 ARG HG2 . 19771 1 225 . 1 1 23 23 ARG HG3 H 1 1.993 0.013 . 1 . . . A 448 ARG HG3 . 19771 1 226 . 1 1 23 23 ARG HD2 H 1 3.240 0.002 . 1 . . . A 448 ARG HD2 . 19771 1 227 . 1 1 23 23 ARG HD3 H 1 3.240 0.002 . 1 . . . A 448 ARG HD3 . 19771 1 228 . 1 1 23 23 ARG CA C 13 55.854 0.045 . 1 . . . A 448 ARG CA . 19771 1 229 . 1 1 23 23 ARG CB C 13 31.200 0.000 . 1 . . . A 448 ARG CB . 19771 1 230 . 1 1 23 23 ARG CG C 13 26.972 0.041 . 1 . . . A 448 ARG CG . 19771 1 231 . 1 1 23 23 ARG CD C 13 44.020 0.037 . 1 . . . A 448 ARG CD . 19771 1 232 . 1 1 23 23 ARG N N 15 125.530 0.054 . 1 . . . A 448 ARG N . 19771 1 233 . 1 1 24 24 ASP H H 1 8.117 0.013 . 1 . . . A 449 ASP H . 19771 1 234 . 1 1 24 24 ASP HA H 1 4.155 0.007 . 1 . . . A 449 ASP HA . 19771 1 235 . 1 1 24 24 ASP HB2 H 1 1.924 0.007 . 1 . . . A 449 ASP HB2 . 19771 1 236 . 1 1 24 24 ASP HB3 H 1 1.468 0.017 . 1 . . . A 449 ASP HB3 . 19771 1 237 . 1 1 24 24 ASP CA C 13 56.118 0.065 . 1 . . . A 449 ASP CA . 19771 1 238 . 1 1 24 24 ASP CB C 13 43.634 0.019 . 1 . . . A 449 ASP CB . 19771 1 239 . 1 1 24 24 ASP N N 15 123.969 0.042 . 1 . . . A 449 ASP N . 19771 1 240 . 1 1 25 25 GLN H H 1 8.670 0.021 . 1 . . . A 450 GLN H . 19771 1 241 . 1 1 25 25 GLN HA H 1 3.832 0.003 . 1 . . . A 450 GLN HA . 19771 1 242 . 1 1 25 25 GLN HB2 H 1 2.034 0.015 . 1 . . . A 450 GLN HB2 . 19771 1 243 . 1 1 25 25 GLN HB3 H 1 1.997 0.019 . 1 . . . A 450 GLN HB3 . 19771 1 244 . 1 1 25 25 GLN HG2 H 1 2.338 0.019 . 1 . . . A 450 GLN HG2 . 19771 1 245 . 1 1 25 25 GLN HG3 H 1 2.320 0.015 . 1 . . . A 450 GLN HG3 . 19771 1 246 . 1 1 25 25 GLN HE21 H 1 7.448 0.002 . 1 . . . A 450 GLN HE21 . 19771 1 247 . 1 1 25 25 GLN HE22 H 1 6.766 0.305 . 1 . . . A 450 GLN HE22 . 19771 1 248 . 1 1 25 25 GLN CA C 13 59.127 0.026 . 1 . . . A 450 GLN CA . 19771 1 249 . 1 1 25 25 GLN CB C 13 28.699 0.024 . 1 . . . A 450 GLN CB . 19771 1 250 . 1 1 25 25 GLN CG C 13 33.697 0.020 . 1 . . . A 450 GLN CG . 19771 1 251 . 1 1 25 25 GLN N N 15 125.410 0.027 . 1 . . . A 450 GLN N . 19771 1 252 . 1 1 25 25 GLN NE2 N 15 112.091 0.007 . 1 . . . A 450 GLN NE2 . 19771 1 253 . 1 1 26 26 VAL H H 1 8.591 0.005 . 1 . . . A 451 VAL H . 19771 1 254 . 1 1 26 26 VAL HA H 1 4.240 0.005 . 1 . . . A 451 VAL HA . 19771 1 255 . 1 1 26 26 VAL HB H 1 2.333 0.010 . 1 . . . A 451 VAL HB . 19771 1 256 . 1 1 26 26 VAL HG11 H 1 1.000 0.002 . 1 . . . A 451 VAL HG11 . 19771 1 257 . 1 1 26 26 VAL HG12 H 1 1.000 0.002 . 1 . . . A 451 VAL HG12 . 19771 1 258 . 1 1 26 26 VAL HG13 H 1 1.000 0.002 . 1 . . . A 451 VAL HG13 . 19771 1 259 . 1 1 26 26 VAL HG21 H 1 1.143 0.007 . 1 . . . A 451 VAL HG21 . 19771 1 260 . 1 1 26 26 VAL HG22 H 1 1.143 0.007 . 1 . . . A 451 VAL HG22 . 19771 1 261 . 1 1 26 26 VAL HG23 H 1 1.143 0.007 . 1 . . . A 451 VAL HG23 . 19771 1 262 . 1 1 26 26 VAL CA C 13 63.199 0.037 . 1 . . . A 451 VAL CA . 19771 1 263 . 1 1 26 26 VAL CB C 13 31.439 0.034 . 1 . . . A 451 VAL CB . 19771 1 264 . 1 1 26 26 VAL CG1 C 13 21.421 0.020 . 1 . . . A 451 VAL CG1 . 19771 1 265 . 1 1 26 26 VAL CG2 C 13 20.608 0.012 . 1 . . . A 451 VAL CG2 . 19771 1 266 . 1 1 26 26 VAL N N 15 113.164 0.024 . 1 . . . A 451 VAL N . 19771 1 267 . 1 1 27 27 CYS H H 1 7.963 0.008 . 1 . . . A 452 CYS H . 19771 1 268 . 1 1 27 27 CYS HA H 1 4.502 0.007 . 1 . . . A 452 CYS HA . 19771 1 269 . 1 1 27 27 CYS HB2 H 1 3.385 0.013 . 1 . . . A 452 CYS HB2 . 19771 1 270 . 1 1 27 27 CYS HB3 H 1 3.095 0.005 . 1 . . . A 452 CYS HB3 . 19771 1 271 . 1 1 27 27 CYS CA C 13 60.474 0.033 . 1 . . . A 452 CYS CA . 19771 1 272 . 1 1 27 27 CYS CB C 13 31.715 0.024 . 1 . . . A 452 CYS CB . 19771 1 273 . 1 1 27 27 CYS N N 15 120.986 0.076 . 1 . . . A 452 CYS N . 19771 1 274 . 1 1 28 28 PHE H H 1 7.880 0.013 . 1 . . . A 453 PHE H . 19771 1 275 . 1 1 28 28 PHE HA H 1 4.121 0.008 . 1 . . . A 453 PHE HA . 19771 1 276 . 1 1 28 28 PHE HB2 H 1 3.679 0.010 . 1 . . . A 453 PHE HB2 . 19771 1 277 . 1 1 28 28 PHE HB3 H 1 2.573 0.006 . 1 . . . A 453 PHE HB3 . 19771 1 278 . 1 1 28 28 PHE HD2 H 1 7.269 0.005 . 1 . . . A 453 PHE HD2 . 19771 1 279 . 1 1 28 28 PHE HE2 H 1 7.369 0.003 . 1 . . . A 453 PHE HE2 . 19771 1 280 . 1 1 28 28 PHE CA C 13 59.700 0.029 . 1 . . . A 453 PHE CA . 19771 1 281 . 1 1 28 28 PHE CB C 13 38.328 0.032 . 1 . . . A 453 PHE CB . 19771 1 282 . 1 1 28 28 PHE CD2 C 13 132.356 0.036 . 1 . . . A 453 PHE CD2 . 19771 1 283 . 1 1 28 28 PHE CE2 C 13 131.505 0.000 . 1 . . . A 453 PHE CE2 . 19771 1 284 . 1 1 28 28 PHE N N 15 129.406 0.042 . 1 . . . A 453 PHE N . 19771 1 285 . 1 1 29 29 LYS H H 1 6.384 0.006 . 1 . . . A 454 LYS H . 19771 1 286 . 1 1 29 29 LYS HA H 1 4.423 0.011 . 1 . . . A 454 LYS HA . 19771 1 287 . 1 1 29 29 LYS HB2 H 1 1.484 0.007 . 1 . . . A 454 LYS HB2 . 19771 1 288 . 1 1 29 29 LYS HB3 H 1 1.062 0.027 . 1 . . . A 454 LYS HB3 . 19771 1 289 . 1 1 29 29 LYS HG2 H 1 1.091 0.013 . 1 . . . A 454 LYS HG2 . 19771 1 290 . 1 1 29 29 LYS HG3 H 1 1.091 0.013 . 1 . . . A 454 LYS HG3 . 19771 1 291 . 1 1 29 29 LYS HE2 H 1 2.859 0.008 . 1 . . . A 454 LYS HE2 . 19771 1 292 . 1 1 29 29 LYS HE3 H 1 2.859 0.008 . 1 . . . A 454 LYS HE3 . 19771 1 293 . 1 1 29 29 LYS CA C 13 54.050 0.000 . 1 . . . A 454 LYS CA . 19771 1 294 . 1 1 29 29 LYS CB C 13 37.833 0.030 . 1 . . . A 454 LYS CB . 19771 1 295 . 1 1 29 29 LYS CG C 13 24.353 0.005 . 1 . . . A 454 LYS CG . 19771 1 296 . 1 1 29 29 LYS CE C 13 42.625 0.000 . 1 . . . A 454 LYS CE . 19771 1 297 . 1 1 29 29 LYS N N 15 113.628 0.020 . 1 . . . A 454 LYS N . 19771 1 298 . 1 1 30 30 TYR H H 1 7.100 0.011 . 1 . . . A 455 TYR H . 19771 1 299 . 1 1 30 30 TYR HA H 1 5.111 0.012 . 1 . . . A 455 TYR HA . 19771 1 300 . 1 1 30 30 TYR HB2 H 1 3.285 0.007 . 1 . . . A 455 TYR HB2 . 19771 1 301 . 1 1 30 30 TYR HB3 H 1 2.348 0.007 . 1 . . . A 455 TYR HB3 . 19771 1 302 . 1 1 30 30 TYR HD2 H 1 7.134 0.008 . 1 . . . A 455 TYR HD2 . 19771 1 303 . 1 1 30 30 TYR HE2 H 1 6.672 0.015 . 1 . . . A 455 TYR HE2 . 19771 1 304 . 1 1 30 30 TYR CA C 13 58.616 0.031 . 1 . . . A 455 TYR CA . 19771 1 305 . 1 1 30 30 TYR CB C 13 39.956 0.033 . 1 . . . A 455 TYR CB . 19771 1 306 . 1 1 30 30 TYR CD2 C 13 133.665 0.023 . 1 . . . A 455 TYR CD2 . 19771 1 307 . 1 1 30 30 TYR CE2 C 13 118.590 0.052 . 1 . . . A 455 TYR CE2 . 19771 1 308 . 1 1 30 30 TYR N N 15 117.756 0.044 . 1 . . . A 455 TYR N . 19771 1 309 . 1 1 31 31 PHE H H 1 9.527 0.009 . 1 . . . A 456 PHE H . 19771 1 310 . 1 1 31 31 PHE HA H 1 6.342 0.004 . 1 . . . A 456 PHE HA . 19771 1 311 . 1 1 31 31 PHE HB2 H 1 3.907 0.005 . 1 . . . A 456 PHE HB2 . 19771 1 312 . 1 1 31 31 PHE HB3 H 1 3.476 0.008 . 1 . . . A 456 PHE HB3 . 19771 1 313 . 1 1 31 31 PHE HD2 H 1 7.465 0.009 . 1 . . . A 456 PHE HD2 . 19771 1 314 . 1 1 31 31 PHE HE2 H 1 7.009 0.008 . 1 . . . A 456 PHE HE2 . 19771 1 315 . 1 1 31 31 PHE HZ H 1 7.046 0.005 . 1 . . . A 456 PHE HZ . 19771 1 316 . 1 1 31 31 PHE CA C 13 57.017 0.012 . 1 . . . A 456 PHE CA . 19771 1 317 . 1 1 31 31 PHE CB C 13 45.138 0.073 . 1 . . . A 456 PHE CB . 19771 1 318 . 1 1 31 31 PHE CD2 C 13 133.487 0.049 . 1 . . . A 456 PHE CD2 . 19771 1 319 . 1 1 31 31 PHE CE2 C 13 130.938 0.050 . 1 . . . A 456 PHE CE2 . 19771 1 320 . 1 1 31 31 PHE CZ C 13 128.494 0.061 . 1 . . . A 456 PHE CZ . 19771 1 321 . 1 1 31 31 PHE N N 15 117.529 0.050 . 1 . . . A 456 PHE N . 19771 1 322 . 1 1 32 32 CYS H H 1 9.710 0.016 . 1 . . . A 457 CYS H . 19771 1 323 . 1 1 32 32 CYS HA H 1 5.435 0.007 . 1 . . . A 457 CYS HA . 19771 1 324 . 1 1 32 32 CYS HB2 H 1 3.532 0.022 . 1 . . . A 457 CYS HB2 . 19771 1 325 . 1 1 32 32 CYS HB3 H 1 3.263 0.011 . 1 . . . A 457 CYS HB3 . 19771 1 326 . 1 1 32 32 CYS CA C 13 58.044 0.035 . 1 . . . A 457 CYS CA . 19771 1 327 . 1 1 32 32 CYS CB C 13 32.277 0.023 . 1 . . . A 457 CYS CB . 19771 1 328 . 1 1 32 32 CYS N N 15 119.575 0.028 . 1 . . . A 457 CYS N . 19771 1 329 . 1 1 33 33 ARG H H 1 9.300 0.005 . 1 . . . A 458 ARG H . 19771 1 330 . 1 1 33 33 ARG HA H 1 3.750 0.010 . 1 . . . A 458 ARG HA . 19771 1 331 . 1 1 33 33 ARG HB2 H 1 2.010 0.005 . 1 . . . A 458 ARG HB2 . 19771 1 332 . 1 1 33 33 ARG HB3 H 1 2.010 0.005 . 1 . . . A 458 ARG HB3 . 19771 1 333 . 1 1 33 33 ARG HG2 H 1 1.585 0.009 . 1 . . . A 458 ARG HG2 . 19771 1 334 . 1 1 33 33 ARG HG3 H 1 1.585 0.009 . 1 . . . A 458 ARG HG3 . 19771 1 335 . 1 1 33 33 ARG CA C 13 60.863 0.032 . 1 . . . A 458 ARG CA . 19771 1 336 . 1 1 33 33 ARG CB C 13 30.407 0.014 . 1 . . . A 458 ARG CB . 19771 1 337 . 1 1 33 33 ARG CG C 13 27.303 0.037 . 1 . . . A 458 ARG CG . 19771 1 338 . 1 1 33 33 ARG N N 15 120.479 0.049 . 1 . . . A 458 ARG N . 19771 1 339 . 1 1 34 34 SER H H 1 8.482 0.004 . 1 . . . A 459 SER H . 19771 1 340 . 1 1 34 34 SER HA H 1 4.424 0.004 . 1 . . . A 459 SER HA . 19771 1 341 . 1 1 34 34 SER HB2 H 1 4.110 0.015 . 1 . . . A 459 SER HB2 . 19771 1 342 . 1 1 34 34 SER HB3 H 1 4.071 0.011 . 1 . . . A 459 SER HB3 . 19771 1 343 . 1 1 34 34 SER CA C 13 62.116 0.066 . 1 . . . A 459 SER CA . 19771 1 344 . 1 1 34 34 SER CB C 13 62.828 0.036 . 1 . . . A 459 SER CB . 19771 1 345 . 1 1 34 34 SER N N 15 114.502 0.081 . 1 . . . A 459 SER N . 19771 1 346 . 1 1 35 35 CYS H H 1 9.474 0.016 . 1 . . . A 460 CYS H . 19771 1 347 . 1 1 35 35 CYS HA H 1 4.402 0.008 . 1 . . . A 460 CYS HA . 19771 1 348 . 1 1 35 35 CYS HB2 H 1 3.448 0.059 . 1 . . . A 460 CYS HB2 . 19771 1 349 . 1 1 35 35 CYS HB3 H 1 3.231 0.024 . 1 . . . A 460 CYS HB3 . 19771 1 350 . 1 1 35 35 CYS CA C 13 65.041 0.022 . 1 . . . A 460 CYS CA . 19771 1 351 . 1 1 35 35 CYS CB C 13 30.694 0.042 . 1 . . . A 460 CYS CB . 19771 1 352 . 1 1 35 35 CYS N N 15 126.957 0.043 . 1 . . . A 460 CYS N . 19771 1 353 . 1 1 36 36 TRP H H 1 9.553 0.009 . 1 . . . A 461 TRP H . 19771 1 354 . 1 1 36 36 TRP HA H 1 3.259 0.005 . 1 . . . A 461 TRP HA . 19771 1 355 . 1 1 36 36 TRP HB2 H 1 3.424 0.012 . 1 . . . A 461 TRP HB2 . 19771 1 356 . 1 1 36 36 TRP HB3 H 1 3.258 0.015 . 1 . . . A 461 TRP HB3 . 19771 1 357 . 1 1 36 36 TRP HD1 H 1 6.337 0.020 . 1 . . . A 461 TRP HD1 . 19771 1 358 . 1 1 36 36 TRP HE1 H 1 10.308 0.006 . 1 . . . A 461 TRP HE1 . 19771 1 359 . 1 1 36 36 TRP HE3 H 1 7.239 0.005 . 1 . . . A 461 TRP HE3 . 19771 1 360 . 1 1 36 36 TRP HZ2 H 1 6.288 0.005 . 1 . . . A 461 TRP HZ2 . 19771 1 361 . 1 1 36 36 TRP HZ3 H 1 6.631 0.011 . 1 . . . A 461 TRP HZ3 . 19771 1 362 . 1 1 36 36 TRP HH2 H 1 6.618 0.018 . 1 . . . A 461 TRP HH2 . 19771 1 363 . 1 1 36 36 TRP CA C 13 62.794 0.017 . 1 . . . A 461 TRP CA . 19771 1 364 . 1 1 36 36 TRP CB C 13 27.672 0.023 . 1 . . . A 461 TRP CB . 19771 1 365 . 1 1 36 36 TRP CD1 C 13 127.237 0.005 . 1 . . . A 461 TRP CD1 . 19771 1 366 . 1 1 36 36 TRP CE3 C 13 120.260 0.067 . 1 . . . A 461 TRP CE3 . 19771 1 367 . 1 1 36 36 TRP CZ2 C 13 113.115 0.026 . 1 . . . A 461 TRP CZ2 . 19771 1 368 . 1 1 36 36 TRP CZ3 C 13 121.033 0.068 . 1 . . . A 461 TRP CZ3 . 19771 1 369 . 1 1 36 36 TRP CH2 C 13 124.230 0.030 . 1 . . . A 461 TRP CH2 . 19771 1 370 . 1 1 36 36 TRP N N 15 121.032 0.044 . 1 . . . A 461 TRP N . 19771 1 371 . 1 1 36 36 TRP NE1 N 15 132.058 0.045 . 1 . . . A 461 TRP NE1 . 19771 1 372 . 1 1 37 37 HIS H H 1 8.007 0.008 . 1 . . . A 462 HIS H . 19771 1 373 . 1 1 37 37 HIS HA H 1 4.280 0.006 . 1 . . . A 462 HIS HA . 19771 1 374 . 1 1 37 37 HIS HB2 H 1 3.282 0.008 . 1 . . . A 462 HIS HB2 . 19771 1 375 . 1 1 37 37 HIS HB3 H 1 3.282 0.008 . 1 . . . A 462 HIS HB3 . 19771 1 376 . 1 1 37 37 HIS HD2 H 1 7.041 0.008 . 1 . . . A 462 HIS HD2 . 19771 1 377 . 1 1 37 37 HIS HE1 H 1 7.729 0.001 . 1 . . . A 462 HIS HE1 . 19771 1 378 . 1 1 37 37 HIS HE2 H 1 8.795 0.000 . 1 . . . A 462 HIS HE2 . 19771 1 379 . 1 1 37 37 HIS CA C 13 59.828 0.044 . 1 . . . A 462 HIS CA . 19771 1 380 . 1 1 37 37 HIS CB C 13 30.330 0.016 . 1 . . . A 462 HIS CB . 19771 1 381 . 1 1 37 37 HIS CD2 C 13 120.720 0.034 . 1 . . . A 462 HIS CD2 . 19771 1 382 . 1 1 37 37 HIS CE1 C 13 138.637 0.000 . 1 . . . A 462 HIS CE1 . 19771 1 383 . 1 1 37 37 HIS N N 15 119.358 0.048 . 1 . . . A 462 HIS N . 19771 1 384 . 1 1 37 37 HIS NE2 N 15 170.100 0.000 . 1 . . . A 462 HIS NE2 . 19771 1 385 . 1 1 38 38 TRP H H 1 8.146 0.005 . 1 . . . A 463 TRP H . 19771 1 386 . 1 1 38 38 TRP HA H 1 4.179 0.005 . 1 . . . A 463 TRP HA . 19771 1 387 . 1 1 38 38 TRP HB2 H 1 3.365 0.006 . 1 . . . A 463 TRP HB2 . 19771 1 388 . 1 1 38 38 TRP HB3 H 1 3.365 0.006 . 1 . . . A 463 TRP HB3 . 19771 1 389 . 1 1 38 38 TRP HD1 H 1 7.197 0.007 . 1 . . . A 463 TRP HD1 . 19771 1 390 . 1 1 38 38 TRP HE1 H 1 10.082 0.005 . 1 . . . A 463 TRP HE1 . 19771 1 391 . 1 1 38 38 TRP HE3 H 1 7.030 0.001 . 1 . . . A 463 TRP HE3 . 19771 1 392 . 1 1 38 38 TRP HZ2 H 1 7.402 0.005 . 1 . . . A 463 TRP HZ2 . 19771 1 393 . 1 1 38 38 TRP HZ3 H 1 7.574 0.009 . 1 . . . A 463 TRP HZ3 . 19771 1 394 . 1 1 38 38 TRP HH2 H 1 7.156 0.005 . 1 . . . A 463 TRP HH2 . 19771 1 395 . 1 1 38 38 TRP CA C 13 60.915 0.012 . 1 . . . A 463 TRP CA . 19771 1 396 . 1 1 38 38 TRP CB C 13 28.556 0.041 . 1 . . . A 463 TRP CB . 19771 1 397 . 1 1 38 38 TRP CD1 C 13 127.523 0.037 . 1 . . . A 463 TRP CD1 . 19771 1 398 . 1 1 38 38 TRP CE3 C 13 121.830 0.050 . 1 . . . A 463 TRP CE3 . 19771 1 399 . 1 1 38 38 TRP CZ2 C 13 114.878 0.019 . 1 . . . A 463 TRP CZ2 . 19771 1 400 . 1 1 38 38 TRP CZ3 C 13 120.263 0.040 . 1 . . . A 463 TRP CZ3 . 19771 1 401 . 1 1 38 38 TRP CH2 C 13 124.261 0.024 . 1 . . . A 463 TRP CH2 . 19771 1 402 . 1 1 38 38 TRP N N 15 121.005 0.064 . 1 . . . A 463 TRP N . 19771 1 403 . 1 1 38 38 TRP NE1 N 15 130.359 0.004 . 1 . . . A 463 TRP NE1 . 19771 1 404 . 1 1 39 39 ARG H H 1 8.136 0.008 . 1 . . . A 464 ARG H . 19771 1 405 . 1 1 39 39 ARG HA H 1 3.160 0.013 . 1 . . . A 464 ARG HA . 19771 1 406 . 1 1 39 39 ARG HB2 H 1 1.523 0.167 . 1 . . . A 464 ARG HB2 . 19771 1 407 . 1 1 39 39 ARG HB3 H 1 0.960 0.012 . 1 . . . A 464 ARG HB3 . 19771 1 408 . 1 1 39 39 ARG HG2 H 1 0.032 0.002 . 1 . . . A 464 ARG HG2 . 19771 1 409 . 1 1 39 39 ARG HG3 H 1 0.032 0.002 . 1 . . . A 464 ARG HG3 . 19771 1 410 . 1 1 39 39 ARG HD2 H 1 2.861 0.007 . 1 . . . A 464 ARG HD2 . 19771 1 411 . 1 1 39 39 ARG HD3 H 1 2.651 0.007 . 1 . . . A 464 ARG HD3 . 19771 1 412 . 1 1 39 39 ARG CA C 13 57.153 0.032 . 1 . . . A 464 ARG CA . 19771 1 413 . 1 1 39 39 ARG CB C 13 29.998 0.005 . 1 . . . A 464 ARG CB . 19771 1 414 . 1 1 39 39 ARG CG C 13 24.868 0.000 . 1 . . . A 464 ARG CG . 19771 1 415 . 1 1 39 39 ARG CD C 13 42.482 0.031 . 1 . . . A 464 ARG CD . 19771 1 416 . 1 1 39 39 ARG N N 15 117.937 0.043 . 1 . . . A 464 ARG N . 19771 1 417 . 1 1 40 40 HIS H H 1 7.359 0.007 . 1 . . . A 465 HIS H . 19771 1 418 . 1 1 40 40 HIS HA H 1 3.729 0.007 . 1 . . . A 465 HIS HA . 19771 1 419 . 1 1 40 40 HIS HB2 H 1 3.243 0.018 . 1 . . . A 465 HIS HB2 . 19771 1 420 . 1 1 40 40 HIS HB3 H 1 2.095 0.005 . 1 . . . A 465 HIS HB3 . 19771 1 421 . 1 1 40 40 HIS HD1 H 1 8.804 0.007 . 1 . . . A 465 HIS HD1 . 19771 1 422 . 1 1 40 40 HIS HD2 H 1 6.726 0.012 . 1 . . . A 465 HIS HD2 . 19771 1 423 . 1 1 40 40 HIS HE1 H 1 7.672 0.007 . 1 . . . A 465 HIS HE1 . 19771 1 424 . 1 1 40 40 HIS CA C 13 58.797 0.036 . 1 . . . A 465 HIS CA . 19771 1 425 . 1 1 40 40 HIS CB C 13 25.377 0.027 . 1 . . . A 465 HIS CB . 19771 1 426 . 1 1 40 40 HIS CD2 C 13 126.140 0.017 . 1 . . . A 465 HIS CD2 . 19771 1 427 . 1 1 40 40 HIS CE1 C 13 139.945 0.001 . 1 . . . A 465 HIS CE1 . 19771 1 428 . 1 1 40 40 HIS N N 15 109.139 0.014 . 1 . . . A 465 HIS N . 19771 1 429 . 1 1 40 40 HIS ND1 N 15 170.100 0.000 . 1 . . . A 465 HIS ND1 . 19771 1 430 . 1 1 41 41 SER H H 1 6.897 0.004 . 1 . . . A 466 SER H . 19771 1 431 . 1 1 41 41 SER HA H 1 4.273 0.008 . 1 . . . A 466 SER HA . 19771 1 432 . 1 1 41 41 SER HB2 H 1 3.740 0.006 . 1 . . . A 466 SER HB2 . 19771 1 433 . 1 1 41 41 SER HB3 H 1 3.740 0.006 . 1 . . . A 466 SER HB3 . 19771 1 434 . 1 1 41 41 SER CA C 13 58.999 0.018 . 1 . . . A 466 SER CA . 19771 1 435 . 1 1 41 41 SER CB C 13 63.431 0.023 . 1 . . . A 466 SER CB . 19771 1 436 . 1 1 41 41 SER N N 15 112.123 0.045 . 1 . . . A 466 SER N . 19771 1 437 . 1 1 42 42 MET H H 1 6.766 0.008 . 1 . . . A 467 MET H . 19771 1 438 . 1 1 42 42 MET HA H 1 4.133 0.008 . 1 . . . A 467 MET HA . 19771 1 439 . 1 1 42 42 MET HB2 H 1 1.749 0.003 . 1 . . . A 467 MET HB2 . 19771 1 440 . 1 1 42 42 MET HB3 H 1 1.749 0.003 . 1 . . . A 467 MET HB3 . 19771 1 441 . 1 1 42 42 MET HG2 H 1 2.366 0.007 . 1 . . . A 467 MET HG2 . 19771 1 442 . 1 1 42 42 MET HG3 H 1 2.227 0.003 . 1 . . . A 467 MET HG3 . 19771 1 443 . 1 1 42 42 MET HE1 H 1 1.661 0.017 . 1 . . . A 467 MET HE1 . 19771 1 444 . 1 1 42 42 MET HE2 H 1 1.661 0.017 . 1 . . . A 467 MET HE2 . 19771 1 445 . 1 1 42 42 MET HE3 H 1 1.661 0.017 . 1 . . . A 467 MET HE3 . 19771 1 446 . 1 1 42 42 MET CA C 13 55.435 0.027 . 1 . . . A 467 MET CA . 19771 1 447 . 1 1 42 42 MET CB C 13 33.206 0.032 . 1 . . . A 467 MET CB . 19771 1 448 . 1 1 42 42 MET CG C 13 32.172 0.028 . 1 . . . A 467 MET CG . 19771 1 449 . 1 1 42 42 MET CE C 13 17.022 0.000 . 1 . . . A 467 MET CE . 19771 1 450 . 1 1 42 42 MET N N 15 121.282 0.041 . 1 . . . A 467 MET N . 19771 1 451 . 1 1 43 43 GLU H H 1 8.455 0.009 . 1 . . . A 468 GLU H . 19771 1 452 . 1 1 43 43 GLU HA H 1 3.754 0.005 . 1 . . . A 468 GLU HA . 19771 1 453 . 1 1 43 43 GLU HB2 H 1 1.913 0.013 . 1 . . . A 468 GLU HB2 . 19771 1 454 . 1 1 43 43 GLU HB3 H 1 1.885 0.022 . 1 . . . A 468 GLU HB3 . 19771 1 455 . 1 1 43 43 GLU HG2 H 1 2.215 0.003 . 1 . . . A 468 GLU HG2 . 19771 1 456 . 1 1 43 43 GLU HG3 H 1 2.215 0.003 . 1 . . . A 468 GLU HG3 . 19771 1 457 . 1 1 43 43 GLU CA C 13 58.708 0.042 . 1 . . . A 468 GLU CA . 19771 1 458 . 1 1 43 43 GLU CB C 13 29.457 0.024 . 1 . . . A 468 GLU CB . 19771 1 459 . 1 1 43 43 GLU CG C 13 35.806 0.025 . 1 . . . A 468 GLU CG . 19771 1 460 . 1 1 43 43 GLU N N 15 122.864 0.046 . 1 . . . A 468 GLU N . 19771 1 461 . 1 1 44 44 GLY H H 1 8.893 0.016 . 1 . . . A 469 GLY H . 19771 1 462 . 1 1 44 44 GLY HA2 H 1 4.197 0.004 . 1 . . . A 469 GLY HA2 . 19771 1 463 . 1 1 44 44 GLY HA3 H 1 4.197 0.004 . 1 . . . A 469 GLY HA3 . 19771 1 464 . 1 1 44 44 GLY CA C 13 45.398 0.020 . 1 . . . A 469 GLY CA . 19771 1 465 . 1 1 44 44 GLY N N 15 112.643 0.056 . 1 . . . A 469 GLY N . 19771 1 466 . 1 1 45 45 LEU H H 1 7.642 0.008 . 1 . . . A 470 LEU H . 19771 1 467 . 1 1 45 45 LEU HA H 1 3.862 0.008 . 1 . . . A 470 LEU HA . 19771 1 468 . 1 1 45 45 LEU HB2 H 1 1.151 0.014 . 1 . . . A 470 LEU HB2 . 19771 1 469 . 1 1 45 45 LEU HB3 H 1 0.838 0.011 . 1 . . . A 470 LEU HB3 . 19771 1 470 . 1 1 45 45 LEU HG H 1 1.113 0.009 . 1 . . . A 470 LEU HG . 19771 1 471 . 1 1 45 45 LEU HD11 H 1 0.394 0.007 . 1 . . . A 470 LEU HD11 . 19771 1 472 . 1 1 45 45 LEU HD12 H 1 0.394 0.007 . 1 . . . A 470 LEU HD12 . 19771 1 473 . 1 1 45 45 LEU HD13 H 1 0.394 0.007 . 1 . . . A 470 LEU HD13 . 19771 1 474 . 1 1 45 45 LEU CA C 13 54.284 0.022 . 1 . . . A 470 LEU CA . 19771 1 475 . 1 1 45 45 LEU CB C 13 42.923 0.036 . 1 . . . A 470 LEU CB . 19771 1 476 . 1 1 45 45 LEU CG C 13 27.464 0.000 . 1 . . . A 470 LEU CG . 19771 1 477 . 1 1 45 45 LEU CD1 C 13 24.834 0.041 . 1 . . . A 470 LEU CD1 . 19771 1 478 . 1 1 45 45 LEU N N 15 118.167 0.024 . 1 . . . A 470 LEU N . 19771 1 479 . 1 1 46 46 ARG H H 1 7.256 0.004 . 1 . . . A 471 ARG H . 19771 1 480 . 1 1 46 46 ARG HA H 1 4.328 0.010 . 1 . . . A 471 ARG HA . 19771 1 481 . 1 1 46 46 ARG HB2 H 1 1.729 0.007 . 1 . . . A 471 ARG HB2 . 19771 1 482 . 1 1 46 46 ARG HB3 H 1 1.729 0.007 . 1 . . . A 471 ARG HB3 . 19771 1 483 . 1 1 46 46 ARG HG2 H 1 1.610 0.017 . 1 . . . A 471 ARG HG2 . 19771 1 484 . 1 1 46 46 ARG HG3 H 1 1.610 0.017 . 1 . . . A 471 ARG HG3 . 19771 1 485 . 1 1 46 46 ARG HD2 H 1 3.101 0.012 . 1 . . . A 471 ARG HD2 . 19771 1 486 . 1 1 46 46 ARG HD3 H 1 3.101 0.012 . 1 . . . A 471 ARG HD3 . 19771 1 487 . 1 1 46 46 ARG CA C 13 58.357 0.013 . 1 . . . A 471 ARG CA . 19771 1 488 . 1 1 46 46 ARG CB C 13 30.183 0.027 . 1 . . . A 471 ARG CB . 19771 1 489 . 1 1 46 46 ARG CG C 13 27.475 0.035 . 1 . . . A 471 ARG CG . 19771 1 490 . 1 1 46 46 ARG CD C 13 43.700 0.018 . 1 . . . A 471 ARG CD . 19771 1 491 . 1 1 46 46 ARG N N 15 115.958 0.039 . 1 . . . A 471 ARG N . 19771 1 492 . 1 1 47 47 HIS H H 1 8.410 0.008 . 1 . . . A 472 HIS H . 19771 1 493 . 1 1 47 47 HIS HA H 1 4.635 0.001 . 1 . . . A 472 HIS HA . 19771 1 494 . 1 1 47 47 HIS HB2 H 1 3.276 0.006 . 1 . . . A 472 HIS HB2 . 19771 1 495 . 1 1 47 47 HIS HB3 H 1 2.936 0.014 . 1 . . . A 472 HIS HB3 . 19771 1 496 . 1 1 47 47 HIS HD2 H 1 7.076 0.001 . 1 . . . A 472 HIS HD2 . 19771 1 497 . 1 1 47 47 HIS HE1 H 1 8.034 0.003 . 1 . . . A 472 HIS HE1 . 19771 1 498 . 1 1 47 47 HIS CA C 13 56.199 0.011 . 1 . . . A 472 HIS CA . 19771 1 499 . 1 1 47 47 HIS CB C 13 30.157 0.013 . 1 . . . A 472 HIS CB . 19771 1 500 . 1 1 47 47 HIS CD2 C 13 118.229 0.002 . 1 . . . A 472 HIS CD2 . 19771 1 501 . 1 1 47 47 HIS CE1 C 13 140.137 0.000 . 1 . . . A 472 HIS CE1 . 19771 1 502 . 1 1 47 47 HIS N N 15 113.710 0.044 . 1 . . . A 472 HIS N . 19771 1 503 . 1 1 48 48 HIS H H 1 6.899 0.010 . 1 . . . A 473 HIS H . 19771 1 504 . 1 1 48 48 HIS HA H 1 4.418 0.008 . 1 . . . A 473 HIS HA . 19771 1 505 . 1 1 48 48 HIS HB2 H 1 3.321 0.007 . 1 . . . A 473 HIS HB2 . 19771 1 506 . 1 1 48 48 HIS HB3 H 1 2.647 0.007 . 1 . . . A 473 HIS HB3 . 19771 1 507 . 1 1 48 48 HIS HD2 H 1 5.347 0.012 . 1 . . . A 473 HIS HD2 . 19771 1 508 . 1 1 48 48 HIS HE1 H 1 7.677 0.006 . 1 . . . A 473 HIS HE1 . 19771 1 509 . 1 1 48 48 HIS CA C 13 55.485 0.025 . 1 . . . A 473 HIS CA . 19771 1 510 . 1 1 48 48 HIS CB C 13 31.291 0.037 . 1 . . . A 473 HIS CB . 19771 1 511 . 1 1 48 48 HIS CD2 C 13 116.625 0.035 . 1 . . . A 473 HIS CD2 . 19771 1 512 . 1 1 48 48 HIS CE1 C 13 139.946 0.000 . 1 . . . A 473 HIS CE1 . 19771 1 513 . 1 1 48 48 HIS N N 15 122.456 0.040 . 1 . . . A 473 HIS N . 19771 1 514 . 1 1 49 49 SER H H 1 8.600 0.006 . 1 . . . A 474 SER H . 19771 1 515 . 1 1 49 49 SER HA H 1 5.065 0.007 . 1 . . . A 474 SER HA . 19771 1 516 . 1 1 49 49 SER HB2 H 1 3.799 0.011 . 1 . . . A 474 SER HB2 . 19771 1 517 . 1 1 49 49 SER HB3 H 1 3.736 0.005 . 1 . . . A 474 SER HB3 . 19771 1 518 . 1 1 49 49 SER CA C 13 55.164 0.041 . 1 . . . A 474 SER CA . 19771 1 519 . 1 1 49 49 SER CB C 13 64.749 0.047 . 1 . . . A 474 SER CB . 19771 1 520 . 1 1 49 49 SER N N 15 117.590 0.055 . 1 . . . A 474 SER N . 19771 1 521 . 1 1 50 50 PRO HA H 1 4.258 0.008 . 1 . . . A 475 PRO HA . 19771 1 522 . 1 1 50 50 PRO HB2 H 1 1.134 0.003 . 1 . . . A 475 PRO HB2 . 19771 1 523 . 1 1 50 50 PRO HB3 H 1 0.136 0.004 . 1 . . . A 475 PRO HB3 . 19771 1 524 . 1 1 50 50 PRO HG2 H 1 1.438 0.003 . 1 . . . A 475 PRO HG2 . 19771 1 525 . 1 1 50 50 PRO HG3 H 1 0.608 0.018 . 1 . . . A 475 PRO HG3 . 19771 1 526 . 1 1 50 50 PRO HD2 H 1 3.476 0.008 . 1 . . . A 475 PRO HD2 . 19771 1 527 . 1 1 50 50 PRO HD3 H 1 3.100 0.006 . 1 . . . A 475 PRO HD3 . 19771 1 528 . 1 1 50 50 PRO CA C 13 62.975 0.033 . 1 . . . A 475 PRO CA . 19771 1 529 . 1 1 50 50 PRO CB C 13 31.696 0.026 . 1 . . . A 475 PRO CB . 19771 1 530 . 1 1 50 50 PRO CG C 13 25.717 0.028 . 1 . . . A 475 PRO CG . 19771 1 531 . 1 1 50 50 PRO CD C 13 50.321 0.018 . 1 . . . A 475 PRO CD . 19771 1 532 . 1 1 51 51 LEU H H 1 8.843 0.015 . 1 . . . A 476 LEU H . 19771 1 533 . 1 1 51 51 LEU HB2 H 1 1.736 0.004 . 1 . . . A 476 LEU HB2 . 19771 1 534 . 1 1 51 51 LEU HB3 H 1 1.736 0.004 . 1 . . . A 476 LEU HB3 . 19771 1 535 . 1 1 51 51 LEU HD11 H 1 0.908 0.029 . 1 . . . A 476 LEU HD11 . 19771 1 536 . 1 1 51 51 LEU HD12 H 1 0.908 0.029 . 1 . . . A 476 LEU HD12 . 19771 1 537 . 1 1 51 51 LEU HD13 H 1 0.908 0.029 . 1 . . . A 476 LEU HD13 . 19771 1 538 . 1 1 51 51 LEU HD21 H 1 0.975 0.011 . 1 . . . A 476 LEU HD21 . 19771 1 539 . 1 1 51 51 LEU HD22 H 1 0.975 0.011 . 1 . . . A 476 LEU HD22 . 19771 1 540 . 1 1 51 51 LEU HD23 H 1 0.975 0.011 . 1 . . . A 476 LEU HD23 . 19771 1 541 . 1 1 51 51 LEU CB C 13 44.146 0.028 . 1 . . . A 476 LEU CB . 19771 1 542 . 1 1 51 51 LEU CD1 C 13 24.728 0.054 . 1 . . . A 476 LEU CD1 . 19771 1 543 . 1 1 51 51 LEU CD2 C 13 25.325 0.039 . 1 . . . A 476 LEU CD2 . 19771 1 544 . 1 1 51 51 LEU N N 15 123.672 0.034 . 1 . . . A 476 LEU N . 19771 1 545 . 1 1 52 52 MET H H 1 8.564 0.004 . 1 . . . A 477 MET H . 19771 1 546 . 1 1 52 52 MET HA H 1 4.918 0.006 . 1 . . . A 477 MET HA . 19771 1 547 . 1 1 52 52 MET HB2 H 1 2.042 0.009 . 1 . . . A 477 MET HB2 . 19771 1 548 . 1 1 52 52 MET HB3 H 1 1.887 0.004 . 1 . . . A 477 MET HB3 . 19771 1 549 . 1 1 52 52 MET CA C 13 54.604 0.021 . 1 . . . A 477 MET CA . 19771 1 550 . 1 1 52 52 MET CB C 13 34.225 0.029 . 1 . . . A 477 MET CB . 19771 1 551 . 1 1 52 52 MET N N 15 122.428 0.005 . 1 . . . A 477 MET N . 19771 1 552 . 1 1 53 53 ARG H H 1 8.825 0.006 . 1 . . . A 478 ARG H . 19771 1 553 . 1 1 53 53 ARG HB2 H 1 2.389 0.000 . 1 . . . A 478 ARG HB2 . 19771 1 554 . 1 1 53 53 ARG HB3 H 1 2.389 0.000 . 1 . . . A 478 ARG HB3 . 19771 1 555 . 1 1 53 53 ARG CB C 13 32.024 0.000 . 1 . . . A 478 ARG CB . 19771 1 556 . 1 1 53 53 ARG N N 15 123.419 0.019 . 1 . . . A 478 ARG N . 19771 1 557 . 1 1 56 56 LYS H H 1 8.284 0.005 . 1 . . . A 481 LYS H . 19771 1 558 . 1 1 56 56 LYS N N 15 122.000 0.000 . 1 . . . A 481 LYS N . 19771 1 559 . 1 1 57 57 ASN H H 1 8.379 0.007 . 1 . . . A 482 ASN H . 19771 1 560 . 1 1 57 57 ASN N N 15 119.466 0.000 . 1 . . . A 482 ASN N . 19771 1 561 . 1 1 58 58 ARG H H 1 8.302 0.008 . 1 . . . A 483 ARG H . 19771 1 562 . 1 1 58 58 ARG N N 15 121.400 0.000 . 1 . . . A 483 ARG N . 19771 1 563 . 1 1 60 60 SER H H 1 8.112 0.005 . 1 . . . A 485 SER H . 19771 1 564 . 1 1 60 60 SER N N 15 115.800 0.000 . 1 . . . A 485 SER N . 19771 1 565 . 1 1 61 61 SER H H 1 7.975 0.000 . 1 . . . A 486 SER H . 19771 1 566 . 1 1 61 61 SER N N 15 123.283 0.000 . 1 . . . A 486 SER N . 19771 1 stop_ save_