data_18840 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18840 _Entry.Title ; The ZZ domain of cytoplasmic polyadenylation element binding protein 1 (CPEB1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-14 _Entry.Accession_date 2012-11-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Brian Lee . M. . 18840 2 Daniel Merkel . J. . 18840 3 Sarah Wells . B. . 18840 4 Bryce Hilburn . C. . 18840 5 Fatima Elazzouzi . . . 18840 6 Gabriela Perez-Alvarado . C. . 18840 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' . 18840 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Zinc-binding protein' . 18840 'ZZ motif' . 18840 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18840 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 18840 '15N chemical shifts' 76 18840 '1H chemical shifts' 430 18840 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 2 . . 2013-05-21 2012-11-14 update BMRB 'update entry citation' 18840 1 . . 2013-04-01 2012-11-14 original author 'original release' 18840 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M13 'BMRB Entry Tracking System' 18840 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18840 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23500490 _Citation.Full_citation . _Citation.Title 'The C-Terminal Region of Cytoplasmic Polyadenylation Element Binding Protein Is a ZZ Domain with Potential for Protein-Protein Interactions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 11 _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 2015 _Citation.Page_last 2026 _Citation.Year 2013 _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 Daniel Merkel . J. . 18840 1 2 Sarah Wells . B. . 18840 1 3 Bryce Hilburn . C. . 18840 1 4 Fatima Elazzouzi . . . 18840 1 5 Gabriela Perez-Alvarado . C. . 18840 1 6 Brian Lee . M. . 18840 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18840 _Assembly.ID 1 _Assembly.Name CPEB1-ZZ_G-P-504-566 _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 CPEB1-ZZ_G-P-504-566 1 $CPEB1-ZZ_G-P-504-566 A . yes native no no . . . 18840 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 18840 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 18840 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 14 14 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 515 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 2 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 17 17 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 518 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 3 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 36 36 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 537 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 4 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 39 39 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 540 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 5 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 26 26 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 527 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 6 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 CYS 31 31 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 532 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 7 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 HIS 44 44 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 545 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 8 coordination single . 1 CPEB1-ZZ_G-P-504-566 1 HIS 52 52 ND1 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . CPEB1-ZZ_G-P-504-566 553 CYS SG . 'ZINC ION_1' 1 ZN ZN 18840 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CPEB1-ZZ_G-P-504-566 _Entity.Sf_category entity _Entity.Sf_framecode CPEB1-ZZ_G-P-504-566 _Entity.Entry_ID 18840 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CPEB1-ZZ_G-P-504-566 _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 ; GPVQIDPYLEDSLCHICSSQ PGPFFCRDQVCFKYFCRSCW HWRHSMEGLRHHSPLMRNQK NRDSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues Gly502 and Pro503 are non-native remnants of HRV 3C digest from MBP fusion' _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'ZZ domain of CPEB1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7768.881 _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 yes UNP Q9BZB8 . CPEB1 . . . . . . . . . . . . . . 18840 1 2 no BMRB 19771 . CPEB1ZZ . . . . . 93.85 61 100.00 100.00 7.69e-37 . . . . 18840 1 3 no PDB 2M13 . "The Zz Domain Of Cytoplasmic Polyadenylation Element Binding Protein 1 (cpeb1)" . . . . . 100.00 65 100.00 100.00 4.03e-40 . . . . 18840 1 4 no PDB 2MKE . "Solution Structure Of Cpeb1 Zz Domain In The Free State" . . . . . 93.85 61 100.00 100.00 7.69e-37 . . . . 18840 1 5 no DBJ BAB14496 . "unnamed protein product [Homo sapiens]" . . . . . 96.92 486 100.00 100.00 1.83e-37 . . . . 18840 1 6 no DBJ BAB33089 . "hypothetical protein [Macaca fascicularis]" . . . . . 96.92 186 100.00 100.00 1.36e-39 . . . . 18840 1 7 no DBJ BAC37017 . "unnamed protein product [Mus musculus]" . . . . . 90.77 140 98.31 98.31 3.11e-36 . . . . 18840 1 8 no DBJ BAG63194 . "unnamed protein product [Homo sapiens]" . . . . . 96.92 335 100.00 100.00 4.75e-38 . . . . 18840 1 9 no DBJ BAH11723 . "unnamed protein product [Homo sapiens]" . . . . . 96.92 564 100.00 100.00 2.74e-37 . . . . 18840 1 10 no EMBL CAA69588 . "cytoplasmic polyadenylation element-binding protein (CPEB) [Mus musculus]" . . . . . 90.77 561 98.31 98.31 8.19e-34 . . . . 18840 1 11 no EMBL CAH92427 . "hypothetical protein [Pongo abelii]" . . . . . 96.92 486 100.00 100.00 1.69e-37 . . . . 18840 1 12 no GB AAH35348 . "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" . . . . . 96.92 486 100.00 100.00 1.75e-37 . . . . 18840 1 13 no GB AAH50629 . "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" . . . . . 96.92 561 100.00 100.00 2.31e-37 . . . . 18840 1 14 no GB AAI25477 . "Cytoplasmic polyadenylation element binding protein 1 [Mus musculus]" . . . . . 90.77 562 98.31 98.31 7.46e-34 . . . . 18840 1 15 no GB AAK01239 . "cytoplasmic polyadenylation element-binding protein long form [Homo sapiens]" . . . . . 96.92 566 100.00 100.00 2.26e-37 . . . . 18840 1 16 no GB AAK01240 . "cytoplasmic polyadenylation element-binding protein short form [Homo sapiens]" . . . . . 96.92 491 100.00 100.00 1.81e-37 . . . . 18840 1 17 no REF NP_001073001 . "cytoplasmic polyadenylation element-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 96.92 491 100.00 100.00 1.81e-37 . . . . 18840 1 18 no REF NP_001073002 . "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 96.92 486 100.00 100.00 1.75e-37 . . . . 18840 1 19 no REF NP_001073003 . "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 96.92 486 100.00 100.00 1.75e-37 . . . . 18840 1 20 no REF NP_001099746 . "cytoplasmic polyadenylation element-binding protein 1 [Rattus norvegicus]" . . . . . 90.77 561 98.31 98.31 8.19e-34 . . . . 18840 1 21 no REF NP_001126432 . "cytoplasmic polyadenylation element-binding protein 1 [Pongo abelii]" . . . . . 96.92 486 100.00 100.00 1.69e-37 . . . . 18840 1 22 no SP P0C279 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=CPEB; Sh" . . . . . 90.77 561 98.31 98.31 8.19e-34 . . . . 18840 1 23 no SP P70166 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=mCPEB; S" . . . . . 90.77 561 98.31 98.31 8.19e-34 . . . . 18840 1 24 no SP Q5R733 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=CPEB-1" . . . . . 96.92 486 100.00 100.00 1.69e-37 . . . . 18840 1 25 no SP Q9BZB8 . "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=h-CPEB; " . . . . . 96.92 566 100.00 100.00 2.26e-37 . . . . 18840 1 26 no TPG DAA17635 . "TPA: cytoplasmic polyadenylation element binding protein 1-like [Bos taurus]" . . . . . 96.92 486 98.41 100.00 4.63e-37 . . . . 18840 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 1 502 GLY . 18840 1 2 503 PRO . 18840 1 3 504 VAL . 18840 1 4 505 GLN . 18840 1 5 506 ILE . 18840 1 6 507 ASP . 18840 1 7 508 PRO . 18840 1 8 509 TYR . 18840 1 9 510 LEU . 18840 1 10 511 GLU . 18840 1 11 512 ASP . 18840 1 12 513 SER . 18840 1 13 514 LEU . 18840 1 14 515 CYS . 18840 1 15 516 HIS . 18840 1 16 517 ILE . 18840 1 17 518 CYS . 18840 1 18 519 SER . 18840 1 19 520 SER . 18840 1 20 521 GLN . 18840 1 21 522 PRO . 18840 1 22 523 GLY . 18840 1 23 524 PRO . 18840 1 24 525 PHE . 18840 1 25 526 PHE . 18840 1 26 527 CYS . 18840 1 27 528 ARG . 18840 1 28 529 ASP . 18840 1 29 530 GLN . 18840 1 30 531 VAL . 18840 1 31 532 CYS . 18840 1 32 533 PHE . 18840 1 33 534 LYS . 18840 1 34 535 TYR . 18840 1 35 536 PHE . 18840 1 36 537 CYS . 18840 1 37 538 ARG . 18840 1 38 539 SER . 18840 1 39 540 CYS . 18840 1 40 541 TRP . 18840 1 41 542 HIS . 18840 1 42 543 TRP . 18840 1 43 544 ARG . 18840 1 44 545 HIS . 18840 1 45 546 SER . 18840 1 46 547 MET . 18840 1 47 548 GLU . 18840 1 48 549 GLY . 18840 1 49 550 LEU . 18840 1 50 551 ARG . 18840 1 51 552 HIS . 18840 1 52 553 HIS . 18840 1 53 554 SER . 18840 1 54 555 PRO . 18840 1 55 556 LEU . 18840 1 56 557 MET . 18840 1 57 558 ARG . 18840 1 58 559 ASN . 18840 1 59 560 GLN . 18840 1 60 561 LYS . 18840 1 61 562 ASN . 18840 1 62 563 ARG . 18840 1 63 564 ASP . 18840 1 64 565 SER . 18840 1 65 566 SER . 18840 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18840 1 . PRO 2 2 18840 1 . VAL 3 3 18840 1 . GLN 4 4 18840 1 . ILE 5 5 18840 1 . ASP 6 6 18840 1 . PRO 7 7 18840 1 . TYR 8 8 18840 1 . LEU 9 9 18840 1 . GLU 10 10 18840 1 . ASP 11 11 18840 1 . SER 12 12 18840 1 . LEU 13 13 18840 1 . CYS 14 14 18840 1 . HIS 15 15 18840 1 . ILE 16 16 18840 1 . CYS 17 17 18840 1 . SER 18 18 18840 1 . SER 19 19 18840 1 . GLN 20 20 18840 1 . PRO 21 21 18840 1 . GLY 22 22 18840 1 . PRO 23 23 18840 1 . PHE 24 24 18840 1 . PHE 25 25 18840 1 . CYS 26 26 18840 1 . ARG 27 27 18840 1 . ASP 28 28 18840 1 . GLN 29 29 18840 1 . VAL 30 30 18840 1 . CYS 31 31 18840 1 . PHE 32 32 18840 1 . LYS 33 33 18840 1 . TYR 34 34 18840 1 . PHE 35 35 18840 1 . CYS 36 36 18840 1 . ARG 37 37 18840 1 . SER 38 38 18840 1 . CYS 39 39 18840 1 . TRP 40 40 18840 1 . HIS 41 41 18840 1 . TRP 42 42 18840 1 . ARG 43 43 18840 1 . HIS 44 44 18840 1 . SER 45 45 18840 1 . MET 46 46 18840 1 . GLU 47 47 18840 1 . GLY 48 48 18840 1 . LEU 49 49 18840 1 . ARG 50 50 18840 1 . HIS 51 51 18840 1 . HIS 52 52 18840 1 . SER 53 53 18840 1 . PRO 54 54 18840 1 . LEU 55 55 18840 1 . MET 56 56 18840 1 . ARG 57 57 18840 1 . ASN 58 58 18840 1 . GLN 59 59 18840 1 . LYS 60 60 18840 1 . ASN 61 61 18840 1 . ARG 62 62 18840 1 . ASP 63 63 18840 1 . SER 64 64 18840 1 . SER 65 65 18840 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18840 _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 no _Entity.Thiol_state 'not present' _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 18840 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 18840 2 ZN 'Three letter code' 18840 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 18840 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18840 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 18840 _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 $CPEB1-ZZ_G-P-504-566 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CPEB1 . 'human adult brain cDNA clone #BC035348' . . 18840 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 18840 _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 $CPEB1-ZZ_G-P-504-566 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta2 . . . . . . . . . . . . . . . pMal . . . 'pMal MBP fusion with HRV 3C protease site' . . 18840 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 18840 _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 18840 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18840 ZN [Zn++] SMILES CACTVS 3.341 18840 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18840 ZN [Zn+2] SMILES ACDLabs 10.04 18840 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18840 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18840 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 18840 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18840 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 . 18840 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ZZ-504 _Sample.Sf_category sample _Sample.Sf_framecode ZZ-504 _Sample.Entry_ID 18840 _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 'CPEB1-ZZ G-P-504-566' '[U-100% 13C; U-100% 15N]' . . 1 $CPEB1-ZZ_G-P-504-566 . . 0.3 . . mM . . . . 18840 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18840 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18840 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18840 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18840 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18840 1 stop_ save_ save_ZZ-498 _Sample.Sf_category sample _Sample.Sf_framecode ZZ-498 _Sample.Entry_ID 18840 _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 'CPEB1-ZZ T498S-566' '[U-100% 13C; U-100% 15N]' . . 1 $CPEB1-ZZ_G-P-504-566 . . 0.3 . . mM . . . . 18840 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18840 2 3 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18840 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18840 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18840 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18840 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 18840 _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' 200 . mM 18840 1 pH 7.0 . pH 18840 1 pressure 1 . atm 18840 1 temperature 273 . K 18840 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18840 _Software.ID 1 _Software.Name AMBER _Software.Version 10 _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' . . 18840 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18840 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18840 _Software.ID 2 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18840 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18840 2 stop_ save_ save_TALOS_plus _Software.Sf_category software _Software.Sf_framecode TALOS_plus _Software.Entry_ID 18840 _Software.ID 3 _Software.Name TALOS_plus _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu and Bax' . . 18840 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18840 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18840 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18840 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18840 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18840 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18840 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18840 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18840 _Software.ID 6 _Software.Name NMRView _Software.Version 8.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18840 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18840 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18840 _Software.ID 7 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18840 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18840 7 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 18840 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details SIUC _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18840 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Washington University, Dept of Chemistry' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18840 _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 Varian UnityPlus . 500 SIUC . . 18840 1 2 spectrometer_2 Varian UnityPlus . 600 'Washington University, Dept of Chemistry' . . 18840 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 18840 _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 . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 5 '2D 1H-13C ct-HSQC aliphatic' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 6 '2D 1H-13C ct-HSQC aliphatic' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 7 '2D 1H-13C HMQC aromatic' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 8 '2D 1H-13C HMQC aromatic' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 9 '2D 1H-15N HMQC 2JNH' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 11 '3D HNCO' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 12 '3D HNCO' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 13 '3D HNCA' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 14 '3D HNCA' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 15 '3D HNCACB' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 18 '3D HCCH-COSY' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 19 '3D HCCH-COSY' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 20 '3D 1H-15N/13C NOESY' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 21 '3D 1H-15N/13C NOESY' no . . . . . . . . . . 2 $ZZ-498 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 1 23 '3D C(CO)NH' no . . . . . . . . . . 1 $ZZ-504 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18840 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 18840 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18840 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18840 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18840 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 18840 _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' . . . 18840 1 5 '2D 1H-13C ct-HSQC aliphatic' . . . 18840 1 7 '2D 1H-13C HMQC aromatic' . . . 18840 1 9 '2D 1H-15N HMQC 2JNH' . . . 18840 1 11 '3D HNCO' . . . 18840 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 GLY HA2 H 1 3.9855 0.008 . 2 . . . A 502 GLY HA2 . 18840 1 2 . 1 1 1 1 GLY HA3 H 1 3.9855 0.008 . 2 . . . A 502 GLY HA3 . 18840 1 3 . 1 1 1 1 GLY CA C 13 43.5129 0.08 . 1 . . . A 502 GLY CA . 18840 1 4 . 1 1 2 2 PRO HA H 1 4.5328 0.008 . 1 . . . A 503 PRO HA . 18840 1 5 . 1 1 2 2 PRO HB2 H 1 2.3229 0.008 . 2 . . . A 503 PRO HB2 . 18840 1 6 . 1 1 2 2 PRO HB3 H 1 1.9433 0.008 . 2 . . . A 503 PRO HB3 . 18840 1 7 . 1 1 2 2 PRO HG2 H 1 2.0237 0.008 . 2 . . . A 503 PRO HG2 . 18840 1 8 . 1 1 2 2 PRO HG3 H 1 2.0237 0.008 . 2 . . . A 503 PRO HG3 . 18840 1 9 . 1 1 2 2 PRO HD2 H 1 3.5881 0.008 . 2 . . . A 503 PRO HD2 . 18840 1 10 . 1 1 2 2 PRO HD3 H 1 3.5881 0.008 . 2 . . . A 503 PRO HD3 . 18840 1 11 . 1 1 2 2 PRO C C 13 176.7773 0.08 . 1 . . . A 503 PRO C . 18840 1 12 . 1 1 2 2 PRO CA C 13 62.9618 0.08 . 1 . . . A 503 PRO CA . 18840 1 13 . 1 1 2 2 PRO CB C 13 32.4029 0.08 . 1 . . . A 503 PRO CB . 18840 1 14 . 1 1 2 2 PRO CG C 13 27.0937 0.08 . 1 . . . A 503 PRO CG . 18840 1 15 . 1 1 2 2 PRO CD C 13 49.6986 0.08 . 1 . . . A 503 PRO CD . 18840 1 16 . 1 1 3 3 VAL H H 1 8.2896 0.008 . 1 . . . A 504 VAL H . 18840 1 17 . 1 1 3 3 VAL HA H 1 4.1020 0.008 . 1 . . . A 504 VAL HA . 18840 1 18 . 1 1 3 3 VAL HB H 1 2.0403 0.008 . 1 . . . A 504 VAL HB . 18840 1 19 . 1 1 3 3 VAL HG11 H 1 0.9746 0.008 . 1 . . . A 504 VAL HG11 . 18840 1 20 . 1 1 3 3 VAL HG12 H 1 0.9746 0.008 . 1 . . . A 504 VAL HG12 . 18840 1 21 . 1 1 3 3 VAL HG13 H 1 0.9746 0.008 . 1 . . . A 504 VAL HG13 . 18840 1 22 . 1 1 3 3 VAL HG21 H 1 0.9362 0.008 . 1 . . . A 504 VAL HG21 . 18840 1 23 . 1 1 3 3 VAL HG22 H 1 0.9362 0.008 . 1 . . . A 504 VAL HG22 . 18840 1 24 . 1 1 3 3 VAL HG23 H 1 0.9362 0.008 . 1 . . . A 504 VAL HG23 . 18840 1 25 . 1 1 3 3 VAL C C 13 175.8869 0.08 . 1 . . . A 504 VAL C . 18840 1 26 . 1 1 3 3 VAL CA C 13 62.4835 0.08 . 1 . . . A 504 VAL CA . 18840 1 27 . 1 1 3 3 VAL CB C 13 32.8644 0.08 . 1 . . . A 504 VAL CB . 18840 1 28 . 1 1 3 3 VAL CG1 C 13 20.9128 0.08 . 2 . . . A 504 VAL CG1 . 18840 1 29 . 1 1 3 3 VAL CG2 C 13 21.2366 0.08 . 2 . . . A 504 VAL CG2 . 18840 1 30 . 1 1 3 3 VAL N N 15 120.7335 0.3 . 1 . . . A 504 VAL N . 18840 1 31 . 1 1 4 4 GLN H H 1 8.4503 0.008 . 1 . . . A 505 GLN H . 18840 1 32 . 1 1 4 4 GLN HA H 1 4.4299 0.008 . 1 . . . A 505 GLN HA . 18840 1 33 . 1 1 4 4 GLN HB2 H 1 2.0610 0.008 . 2 . . . A 505 GLN HB2 . 18840 1 34 . 1 1 4 4 GLN HB3 H 1 1.9731 0.008 . 2 . . . A 505 GLN HB3 . 18840 1 35 . 1 1 4 4 GLN HG2 H 1 2.3412 0.008 . 2 . . . A 505 GLN HG2 . 18840 1 36 . 1 1 4 4 GLN HG3 H 1 2.3412 0.008 . 2 . . . A 505 GLN HG3 . 18840 1 37 . 1 1 4 4 GLN HE21 H 1 7.5506 0.008 . 2 . . . A 505 GLN HE21 . 18840 1 38 . 1 1 4 4 GLN HE22 H 1 6.8861 0.008 . 2 . . . A 505 GLN HE22 . 18840 1 39 . 1 1 4 4 GLN C C 13 175.2066 0.08 . 1 . . . A 505 GLN C . 18840 1 40 . 1 1 4 4 GLN CA C 13 55.4759 0.08 . 1 . . . A 505 GLN CA . 18840 1 41 . 1 1 4 4 GLN CB C 13 29.9180 0.08 . 1 . . . A 505 GLN CB . 18840 1 42 . 1 1 4 4 GLN CG C 13 33.8764 0.08 . 1 . . . A 505 GLN CG . 18840 1 43 . 1 1 4 4 GLN CD C 13 180.2809 0.08 . 1 . . . A 505 GLN CD . 18840 1 44 . 1 1 4 4 GLN N N 15 125.0689 0.3 . 1 . . . A 505 GLN N . 18840 1 45 . 1 1 4 4 GLN NE2 N 15 112.5973 0.3 . 1 . . . A 505 GLN NE2 . 18840 1 46 . 1 1 5 5 ILE H H 1 8.2586 0.008 . 1 . . . A 506 ILE H . 18840 1 47 . 1 1 5 5 ILE HA H 1 4.3034 0.008 . 1 . . . A 506 ILE HA . 18840 1 48 . 1 1 5 5 ILE HB H 1 1.8335 0.008 . 1 . . . A 506 ILE HB . 18840 1 49 . 1 1 5 5 ILE HG12 H 1 1.4546 0.008 . 2 . . . A 506 ILE HG12 . 18840 1 50 . 1 1 5 5 ILE HG13 H 1 1.2039 0.008 . 2 . . . A 506 ILE HG13 . 18840 1 51 . 1 1 5 5 ILE HG21 H 1 0.8561 0.008 . 1 . . . A 506 ILE HG21 . 18840 1 52 . 1 1 5 5 ILE HG22 H 1 0.8561 0.008 . 1 . . . A 506 ILE HG22 . 18840 1 53 . 1 1 5 5 ILE HG23 H 1 0.8561 0.008 . 1 . . . A 506 ILE HG23 . 18840 1 54 . 1 1 5 5 ILE HD11 H 1 0.8219 0.008 . 1 . . . A 506 ILE HD11 . 18840 1 55 . 1 1 5 5 ILE HD12 H 1 0.8219 0.008 . 1 . . . A 506 ILE HD12 . 18840 1 56 . 1 1 5 5 ILE HD13 H 1 0.8219 0.008 . 1 . . . A 506 ILE HD13 . 18840 1 57 . 1 1 5 5 ILE C C 13 175.6074 0.08 . 1 . . . A 506 ILE C . 18840 1 58 . 1 1 5 5 ILE CA C 13 60.3459 0.08 . 1 . . . A 506 ILE CA . 18840 1 59 . 1 1 5 5 ILE CB C 13 39.0458 0.08 . 1 . . . A 506 ILE CB . 18840 1 60 . 1 1 5 5 ILE CG1 C 13 27.3258 0.08 . 1 . . . A 506 ILE CG1 . 18840 1 61 . 1 1 5 5 ILE CG2 C 13 17.5484 0.08 . 1 . . . A 506 ILE CG2 . 18840 1 62 . 1 1 5 5 ILE CD1 C 13 12.7992 0.08 . 1 . . . A 506 ILE CD1 . 18840 1 63 . 1 1 5 5 ILE N N 15 123.1205 0.3 . 1 . . . A 506 ILE N . 18840 1 64 . 1 1 6 6 ASP H H 1 8.4194 0.008 . 1 . . . A 507 ASP H . 18840 1 65 . 1 1 6 6 ASP HA H 1 4.9092 0.008 . 1 . . . A 507 ASP HA . 18840 1 66 . 1 1 6 6 ASP HB2 H 1 2.7417 0.008 . 2 . . . A 507 ASP HB2 . 18840 1 67 . 1 1 6 6 ASP HB3 H 1 2.5287 0.008 . 2 . . . A 507 ASP HB3 . 18840 1 68 . 1 1 6 6 ASP CA C 13 51.9293 0.08 . 1 . . . A 507 ASP CA . 18840 1 69 . 1 1 6 6 ASP CB C 13 41.7116 0.08 . 1 . . . A 507 ASP CB . 18840 1 70 . 1 1 6 6 ASP N N 15 126.2582 0.3 . 1 . . . A 507 ASP N . 18840 1 71 . 1 1 7 7 PRO HA H 1 4.3043 0.008 . 1 . . . A 508 PRO HA . 18840 1 72 . 1 1 7 7 PRO HB2 H 1 2.0530 0.008 . 2 . . . A 508 PRO HB2 . 18840 1 73 . 1 1 7 7 PRO HB3 H 1 1.5474 0.008 . 2 . . . A 508 PRO HB3 . 18840 1 74 . 1 1 7 7 PRO HG2 H 1 1.8527 0.008 . 2 . . . A 508 PRO HG2 . 18840 1 75 . 1 1 7 7 PRO HG3 H 1 1.6238 0.008 . 2 . . . A 508 PRO HG3 . 18840 1 76 . 1 1 7 7 PRO HD2 H 1 3.8273 0.008 . 2 . . . A 508 PRO HD2 . 18840 1 77 . 1 1 7 7 PRO HD3 H 1 3.7185 0.008 . 2 . . . A 508 PRO HD3 . 18840 1 78 . 1 1 7 7 PRO C C 13 176.5392 0.08 . 1 . . . A 508 PRO C . 18840 1 79 . 1 1 7 7 PRO CA C 13 63.2710 0.08 . 1 . . . A 508 PRO CA . 18840 1 80 . 1 1 7 7 PRO CB C 13 32.1174 0.08 . 1 . . . A 508 PRO CB . 18840 1 81 . 1 1 7 7 PRO CG C 13 26.8027 0.08 . 1 . . . A 508 PRO CG . 18840 1 82 . 1 1 7 7 PRO CD C 13 50.7779 0.08 . 1 . . . A 508 PRO CD . 18840 1 83 . 1 1 8 8 TYR H H 1 8.2177 0.008 . 1 . . . A 509 TYR H . 18840 1 84 . 1 1 8 8 TYR HA H 1 4.4860 0.008 . 1 . . . A 509 TYR HA . 18840 1 85 . 1 1 8 8 TYR HB2 H 1 3.0867 0.008 . 2 . . . A 509 TYR HB2 . 18840 1 86 . 1 1 8 8 TYR HB3 H 1 2.8802 0.008 . 2 . . . A 509 TYR HB3 . 18840 1 87 . 1 1 8 8 TYR HD1 H 1 7.1112 0.008 . 3 . . . A 509 TYR HD1 . 18840 1 88 . 1 1 8 8 TYR HE1 H 1 6.8026 0.008 . 3 . . . A 509 TYR HE1 . 18840 1 89 . 1 1 8 8 TYR C C 13 175.8139 0.5 . 1 . . . A 509 TYR C . 18840 1 90 . 1 1 8 8 TYR CA C 13 57.9447 0.5 . 1 . . . A 509 TYR CA . 18840 1 91 . 1 1 8 8 TYR CB C 13 37.7230 0.5 . 1 . . . A 509 TYR CB . 18840 1 92 . 1 1 8 8 TYR CD1 C 13 133.0883 0.5 . 1 . . . A 509 TYR CD1 . 18840 1 93 . 1 1 8 8 TYR CE1 C 13 118.2298 0.5 . 1 . . . A 509 TYR CE1 . 18840 1 94 . 1 1 8 8 TYR N N 15 119.2783 0.3 . 1 . . . A 509 TYR N . 18840 1 95 . 1 1 9 9 LEU H H 1 7.6547 0.008 . 1 . . . A 510 LEU H . 18840 1 96 . 1 1 9 9 LEU HA H 1 4.2537 0.008 . 1 . . . A 510 LEU HA . 18840 1 97 . 1 1 9 9 LEU HB2 H 1 1.5820 0.008 . 2 . . . A 510 LEU HB2 . 18840 1 98 . 1 1 9 9 LEU HB3 H 1 1.5072 0.008 . 2 . . . A 510 LEU HB3 . 18840 1 99 . 1 1 9 9 LEU HG H 1 1.5669 0.008 . 1 . . . A 510 LEU HG . 18840 1 100 . 1 1 9 9 LEU HD11 H 1 0.8565 0.008 . 1 . . . A 510 LEU HD11 . 18840 1 101 . 1 1 9 9 LEU HD12 H 1 0.8565 0.008 . 1 . . . A 510 LEU HD12 . 18840 1 102 . 1 1 9 9 LEU HD13 H 1 0.8565 0.008 . 1 . . . A 510 LEU HD13 . 18840 1 103 . 1 1 9 9 LEU HD21 H 1 0.6703 0.008 . 1 . . . A 510 LEU HD21 . 18840 1 104 . 1 1 9 9 LEU HD22 H 1 0.6703 0.008 . 1 . . . A 510 LEU HD22 . 18840 1 105 . 1 1 9 9 LEU HD23 H 1 0.6703 0.008 . 1 . . . A 510 LEU HD23 . 18840 1 106 . 1 1 9 9 LEU C C 13 176.6886 0.08 . 1 . . . A 510 LEU C . 18840 1 107 . 1 1 9 9 LEU CA C 13 54.9340 0.08 . 1 . . . A 510 LEU CA . 18840 1 108 . 1 1 9 9 LEU CB C 13 42.6466 0.08 . 1 . . . A 510 LEU CB . 18840 1 109 . 1 1 9 9 LEU CG C 13 26.6300 0.08 . 1 . . . A 510 LEU CG . 18840 1 110 . 1 1 9 9 LEU CD1 C 13 25.3772 0.08 . 2 . . . A 510 LEU CD1 . 18840 1 111 . 1 1 9 9 LEU CD2 C 13 23.1935 0.08 . 2 . . . A 510 LEU CD2 . 18840 1 112 . 1 1 9 9 LEU N N 15 122.8272 0.3 . 1 . . . A 510 LEU N . 18840 1 113 . 1 1 10 10 GLU H H 1 8.2230 0.008 . 1 . . . A 511 GLU H . 18840 1 114 . 1 1 10 10 GLU HA H 1 4.2344 0.008 . 1 . . . A 511 GLU HA . 18840 1 115 . 1 1 10 10 GLU HB2 H 1 1.9619 0.008 . 2 . . . A 511 GLU HB2 . 18840 1 116 . 1 1 10 10 GLU HB3 H 1 1.8191 0.008 . 2 . . . A 511 GLU HB3 . 18840 1 117 . 1 1 10 10 GLU HG2 H 1 2.1939 0.008 . 2 . . . A 511 GLU HG2 . 18840 1 118 . 1 1 10 10 GLU HG3 H 1 2.1939 0.008 . 2 . . . A 511 GLU HG3 . 18840 1 119 . 1 1 10 10 GLU CA C 13 55.9117 0.08 . 1 . . . A 511 GLU CA . 18840 1 120 . 1 1 10 10 GLU CB C 13 31.3976 0.08 . 1 . . . A 511 GLU CB . 18840 1 121 . 1 1 10 10 GLU CG C 13 36.1984 0.08 . 1 . . . A 511 GLU CG . 18840 1 122 . 1 1 10 10 GLU N N 15 120.1100 0.3 . 1 . . . A 511 GLU N . 18840 1 123 . 1 1 11 11 ASP H H 1 8.2582 0.008 . 1 . . . A 512 ASP H . 18840 1 124 . 1 1 11 11 ASP HA H 1 4.4385 0.008 . 1 . . . A 512 ASP HA . 18840 1 125 . 1 1 11 11 ASP HB2 H 1 2.5709 0.008 . 2 . . . A 512 ASP HB2 . 18840 1 126 . 1 1 11 11 ASP HB3 H 1 2.5162 0.008 . 2 . . . A 512 ASP HB3 . 18840 1 127 . 1 1 11 11 ASP C C 13 175.7422 0.08 . 1 . . . A 512 ASP C . 18840 1 128 . 1 1 11 11 ASP CA C 13 54.4054 0.08 . 1 . . . A 512 ASP CA . 18840 1 129 . 1 1 11 11 ASP CB C 13 40.9765 0.08 . 1 . . . A 512 ASP CB . 18840 1 130 . 1 1 11 11 ASP N N 15 120.4295 0.3 . 1 . . . A 512 ASP N . 18840 1 131 . 1 1 12 12 SER H H 1 8.0040 0.008 . 1 . . . A 513 SER H . 18840 1 132 . 1 1 12 12 SER HA H 1 4.2819 0.008 . 1 . . . A 513 SER HA . 18840 1 133 . 1 1 12 12 SER HB2 H 1 3.0676 0.008 . 2 . . . A 513 SER HB2 . 18840 1 134 . 1 1 12 12 SER HB3 H 1 3.0207 0.008 . 2 . . . A 513 SER HB3 . 18840 1 135 . 1 1 12 12 SER C C 13 174.6281 0.08 . 1 . . . A 513 SER C . 18840 1 136 . 1 1 12 12 SER CA C 13 57.7827 0.08 . 1 . . . A 513 SER CA . 18840 1 137 . 1 1 12 12 SER CB C 13 64.4812 0.08 . 1 . . . A 513 SER CB . 18840 1 138 . 1 1 12 12 SER N N 15 116.7119 0.3 . 1 . . . A 513 SER N . 18840 1 139 . 1 1 13 13 LEU H H 1 8.2481 0.008 . 1 . . . A 514 LEU H . 18840 1 140 . 1 1 13 13 LEU HA H 1 4.3600 0.008 . 1 . . . A 514 LEU HA . 18840 1 141 . 1 1 13 13 LEU HB2 H 1 1.6638 0.008 . 2 . . . A 514 LEU HB2 . 18840 1 142 . 1 1 13 13 LEU HB3 H 1 1.2128 0.008 . 2 . . . A 514 LEU HB3 . 18840 1 143 . 1 1 13 13 LEU HG H 1 1.6100 0.008 . 1 . . . A 514 LEU HG . 18840 1 144 . 1 1 13 13 LEU HD11 H 1 0.7693 0.008 . 1 . . . A 514 LEU HD11 . 18840 1 145 . 1 1 13 13 LEU HD12 H 1 0.7693 0.008 . 1 . . . A 514 LEU HD12 . 18840 1 146 . 1 1 13 13 LEU HD13 H 1 0.7693 0.008 . 1 . . . A 514 LEU HD13 . 18840 1 147 . 1 1 13 13 LEU HD21 H 1 0.5867 0.008 . 1 . . . A 514 LEU HD21 . 18840 1 148 . 1 1 13 13 LEU HD22 H 1 0.5867 0.008 . 1 . . . A 514 LEU HD22 . 18840 1 149 . 1 1 13 13 LEU HD23 H 1 0.5867 0.008 . 1 . . . A 514 LEU HD23 . 18840 1 150 . 1 1 13 13 LEU C C 13 176.4215 0.08 . 1 . . . A 514 LEU C . 18840 1 151 . 1 1 13 13 LEU CA C 13 54.8956 0.08 . 1 . . . A 514 LEU CA . 18840 1 152 . 1 1 13 13 LEU CB C 13 43.7107 0.08 . 1 . . . A 514 LEU CB . 18840 1 153 . 1 1 13 13 LEU CG C 13 26.9000 0.08 . 1 . . . A 514 LEU CG . 18840 1 154 . 1 1 13 13 LEU CD1 C 13 25.1148 0.08 . 2 . . . A 514 LEU CD1 . 18840 1 155 . 1 1 13 13 LEU CD2 C 13 22.7734 0.08 . 2 . . . A 514 LEU CD2 . 18840 1 156 . 1 1 13 13 LEU N N 15 124.2911 0.3 . 1 . . . A 514 LEU N . 18840 1 157 . 1 1 14 14 CYS H H 1 8.4175 0.008 . 1 . . . A 515 CYS H . 18840 1 158 . 1 1 14 14 CYS HA H 1 3.8178 0.008 . 1 . . . A 515 CYS HA . 18840 1 159 . 1 1 14 14 CYS HB2 H 1 3.4604 0.008 . 2 . . . A 515 CYS HB2 . 18840 1 160 . 1 1 14 14 CYS HB3 H 1 2.8368 0.008 . 2 . . . A 515 CYS HB3 . 18840 1 161 . 1 1 14 14 CYS C C 13 177.4176 0.08 . 1 . . . A 515 CYS C . 18840 1 162 . 1 1 14 14 CYS CA C 13 60.5417 0.08 . 1 . . . A 515 CYS CA . 18840 1 163 . 1 1 14 14 CYS CB C 13 31.8594 0.08 . 1 . . . A 515 CYS CB . 18840 1 164 . 1 1 14 14 CYS N N 15 121.8018 0.3 . 1 . . . A 515 CYS N . 18840 1 165 . 1 1 15 15 HIS H H 1 9.1488 0.008 . 1 . . . A 516 HIS H . 18840 1 166 . 1 1 15 15 HIS HA H 1 4.4971 0.008 . 1 . . . A 516 HIS HA . 18840 1 167 . 1 1 15 15 HIS HB2 H 1 3.2500 0.008 . 2 . . . A 516 HIS HB2 . 18840 1 168 . 1 1 15 15 HIS HB3 H 1 3.1000 0.008 . 2 . . . A 516 HIS HB3 . 18840 1 169 . 1 1 15 15 HIS HD2 H 1 7.0955 0.008 . 1 . . . A 516 HIS HD2 . 18840 1 170 . 1 1 15 15 HIS HE1 H 1 7.7661 0.008 . 1 . . . A 516 HIS HE1 . 18840 1 171 . 1 1 15 15 HIS C C 13 175.8449 0.08 . 1 . . . A 516 HIS C . 18840 1 172 . 1 1 15 15 HIS CA C 13 58.6719 0.08 . 1 . . . A 516 HIS CA . 18840 1 173 . 1 1 15 15 HIS CB C 13 31.9100 0.08 . 1 . . . A 516 HIS CB . 18840 1 174 . 1 1 15 15 HIS CD2 C 13 120.3116 0.5 . 1 . . . A 516 HIS CD2 . 18840 1 175 . 1 1 15 15 HIS CE1 C 13 138.6110 0.5 . 1 . . . A 516 HIS CE1 . 18840 1 176 . 1 1 15 15 HIS N N 15 129.6714 0.3 . 1 . . . A 516 HIS N . 18840 1 177 . 1 1 15 15 HIS ND1 N 15 223.2412 0.4 . 1 . . . A 516 HIS ND1 . 18840 1 178 . 1 1 15 15 HIS NE2 N 15 184.2948 0.4 . 1 . . . A 516 HIS NE2 . 18840 1 179 . 1 1 16 16 ILE H H 1 9.3474 0.008 . 1 . . . A 517 ILE H . 18840 1 180 . 1 1 16 16 ILE HA H 1 4.1704 0.008 . 1 . . . A 517 ILE HA . 18840 1 181 . 1 1 16 16 ILE HB H 1 2.9220 0.008 . 1 . . . A 517 ILE HB . 18840 1 182 . 1 1 16 16 ILE HG12 H 1 1.5693 0.008 . 2 . . . A 517 ILE HG12 . 18840 1 183 . 1 1 16 16 ILE HG13 H 1 1.5693 0.008 . 2 . . . A 517 ILE HG13 . 18840 1 184 . 1 1 16 16 ILE HG21 H 1 0.9062 0.008 . 1 . . . A 517 ILE HG21 . 18840 1 185 . 1 1 16 16 ILE HG22 H 1 0.9062 0.008 . 1 . . . A 517 ILE HG22 . 18840 1 186 . 1 1 16 16 ILE HG23 H 1 0.9062 0.008 . 1 . . . A 517 ILE HG23 . 18840 1 187 . 1 1 16 16 ILE HD11 H 1 0.8407 0.008 . 1 . . . A 517 ILE HD11 . 18840 1 188 . 1 1 16 16 ILE HD12 H 1 0.8407 0.008 . 1 . . . A 517 ILE HD12 . 18840 1 189 . 1 1 16 16 ILE HD13 H 1 0.8407 0.008 . 1 . . . A 517 ILE HD13 . 18840 1 190 . 1 1 16 16 ILE C C 13 177.4484 0.08 . 1 . . . A 517 ILE C . 18840 1 191 . 1 1 16 16 ILE CA C 13 61.9000 0.08 . 1 . . . A 517 ILE CA . 18840 1 192 . 1 1 16 16 ILE CB C 13 35.2560 0.08 . 1 . . . A 517 ILE CB . 18840 1 193 . 1 1 16 16 ILE CG1 C 13 28.4749 0.08 . 1 . . . A 517 ILE CG1 . 18840 1 194 . 1 1 16 16 ILE CG2 C 13 18.2719 0.08 . 1 . . . A 517 ILE CG2 . 18840 1 195 . 1 1 16 16 ILE CD1 C 13 9.8824 0.08 . 1 . . . A 517 ILE CD1 . 18840 1 196 . 1 1 16 16 ILE N N 15 121.7662 0.3 . 1 . . . A 517 ILE N . 18840 1 197 . 1 1 17 17 CYS H H 1 8.5637 0.008 . 1 . . . A 518 CYS H . 18840 1 198 . 1 1 17 17 CYS HA H 1 4.7721 0.008 . 1 . . . A 518 CYS HA . 18840 1 199 . 1 1 17 17 CYS HB2 H 1 3.2139 0.008 . 2 . . . A 518 CYS HB2 . 18840 1 200 . 1 1 17 17 CYS HB3 H 1 2.8107 0.008 . 2 . . . A 518 CYS HB3 . 18840 1 201 . 1 1 17 17 CYS C C 13 176.8826 0.08 . 1 . . . A 518 CYS C . 18840 1 202 . 1 1 17 17 CYS CA C 13 59.3092 0.08 . 1 . . . A 518 CYS CA . 18840 1 203 . 1 1 17 17 CYS CB C 13 31.9941 0.08 . 1 . . . A 518 CYS CB . 18840 1 204 . 1 1 17 17 CYS N N 15 118.7737 0.3 . 1 . . . A 518 CYS N . 18840 1 205 . 1 1 18 18 SER H H 1 7.6186 0.008 . 1 . . . A 519 SER H . 18840 1 206 . 1 1 18 18 SER HA H 1 4.4028 0.008 . 1 . . . A 519 SER HA . 18840 1 207 . 1 1 18 18 SER HB2 H 1 4.0949 0.008 . 2 . . . A 519 SER HB2 . 18840 1 208 . 1 1 18 18 SER HB3 H 1 3.9684 0.008 . 2 . . . A 519 SER HB3 . 18840 1 209 . 1 1 18 18 SER C C 13 174.2580 0.08 . 1 . . . A 519 SER C . 18840 1 210 . 1 1 18 18 SER CA C 13 60.2364 0.08 . 1 . . . A 519 SER CA . 18840 1 211 . 1 1 18 18 SER CB C 13 62.7268 0.08 . 1 . . . A 519 SER CB . 18840 1 212 . 1 1 18 18 SER N N 15 116.3618 0.3 . 1 . . . A 519 SER N . 18840 1 213 . 1 1 19 19 SER H H 1 8.3283 0.008 . 1 . . . A 520 SER H . 18840 1 214 . 1 1 19 19 SER HA H 1 4.8318 0.008 . 1 . . . A 520 SER HA . 18840 1 215 . 1 1 19 19 SER HB2 H 1 4.0076 0.008 . 2 . . . A 520 SER HB2 . 18840 1 216 . 1 1 19 19 SER HB3 H 1 3.9205 0.008 . 2 . . . A 520 SER HB3 . 18840 1 217 . 1 1 19 19 SER C C 13 172.9526 0.08 . 1 . . . A 520 SER C . 18840 1 218 . 1 1 19 19 SER CA C 13 58.8492 0.08 . 1 . . . A 520 SER CA . 18840 1 219 . 1 1 19 19 SER CB C 13 65.7011 0.08 . 1 . . . A 520 SER CB . 18840 1 220 . 1 1 19 19 SER N N 15 113.5060 0.3 . 1 . . . A 520 SER N . 18840 1 221 . 1 1 20 20 GLN H H 1 7.4164 0.008 . 1 . . . A 521 GLN H . 18840 1 222 . 1 1 20 20 GLN HA H 1 4.9319 0.008 . 1 . . . A 521 GLN HA . 18840 1 223 . 1 1 20 20 GLN HB2 H 1 2.3700 0.008 . 2 . . . A 521 GLN HB2 . 18840 1 224 . 1 1 20 20 GLN HB3 H 1 1.9250 0.008 . 2 . . . A 521 GLN HB3 . 18840 1 225 . 1 1 20 20 GLN HG2 H 1 2.5566 0.008 . 2 . . . A 521 GLN HG2 . 18840 1 226 . 1 1 20 20 GLN HG3 H 1 2.4724 0.008 . 2 . . . A 521 GLN HG3 . 18840 1 227 . 1 1 20 20 GLN HE21 H 1 7.8156 0.008 . 2 . . . A 521 GLN HE21 . 18840 1 228 . 1 1 20 20 GLN HE22 H 1 6.9869 0.008 . 2 . . . A 521 GLN HE22 . 18840 1 229 . 1 1 20 20 GLN CA C 13 52.8453 0.08 . 1 . . . A 521 GLN CA . 18840 1 230 . 1 1 20 20 GLN CB C 13 30.6058 0.08 . 1 . . . A 521 GLN CB . 18840 1 231 . 1 1 20 20 GLN CG C 13 33.2984 0.08 . 1 . . . A 521 GLN CG . 18840 1 232 . 1 1 20 20 GLN CD C 13 180.7422 0.08 . 1 . . . A 521 GLN CD . 18840 1 233 . 1 1 20 20 GLN N N 15 118.6521 0.3 . 1 . . . A 521 GLN N . 18840 1 234 . 1 1 20 20 GLN NE2 N 15 114.1771 0.3 . 1 . . . A 521 GLN NE2 . 18840 1 235 . 1 1 21 21 PRO HA H 1 4.4145 0.008 . 1 . . . A 522 PRO HA . 18840 1 236 . 1 1 21 21 PRO HB2 H 1 2.4078 0.008 . 2 . . . A 522 PRO HB2 . 18840 1 237 . 1 1 21 21 PRO HB3 H 1 1.7724 0.008 . 2 . . . A 522 PRO HB3 . 18840 1 238 . 1 1 21 21 PRO HG2 H 1 2.1637 0.008 . 2 . . . A 522 PRO HG2 . 18840 1 239 . 1 1 21 21 PRO HG3 H 1 1.9743 0.008 . 2 . . . A 522 PRO HG3 . 18840 1 240 . 1 1 21 21 PRO HD2 H 1 3.8974 0.008 . 2 . . . A 522 PRO HD2 . 18840 1 241 . 1 1 21 21 PRO HD3 H 1 3.7200 0.008 . 2 . . . A 522 PRO HD3 . 18840 1 242 . 1 1 21 21 PRO C C 13 175.0864 0.08 . 1 . . . A 522 PRO C . 18840 1 243 . 1 1 21 21 PRO CA C 13 63.7817 0.08 . 1 . . . A 522 PRO CA . 18840 1 244 . 1 1 21 21 PRO CB C 13 32.5356 0.08 . 1 . . . A 522 PRO CB . 18840 1 245 . 1 1 21 21 PRO CG C 13 27.9408 0.08 . 1 . . . A 522 PRO CG . 18840 1 246 . 1 1 21 21 PRO CD C 13 50.8677 0.08 . 1 . . . A 522 PRO CD . 18840 1 247 . 1 1 22 22 GLY H H 1 8.9093 0.008 . 1 . . . A 523 GLY H . 18840 1 248 . 1 1 22 22 GLY HA2 H 1 4.8200 0.008 . 2 . . . A 523 GLY HA2 . 18840 1 249 . 1 1 22 22 GLY HA3 H 1 2.7924 0.008 . 2 . . . A 523 GLY HA3 . 18840 1 250 . 1 1 22 22 GLY CA C 13 46.0948 0.08 . 1 . . . A 523 GLY CA . 18840 1 251 . 1 1 22 22 GLY N N 15 110.2167 0.3 . 1 . . . A 523 GLY N . 18840 1 252 . 1 1 23 23 PRO HA H 1 4.4565 0.008 . 1 . . . A 524 PRO HA . 18840 1 253 . 1 1 23 23 PRO HB2 H 1 2.1645 0.008 . 2 . . . A 524 PRO HB2 . 18840 1 254 . 1 1 23 23 PRO HB3 H 1 1.3191 0.008 . 2 . . . A 524 PRO HB3 . 18840 1 255 . 1 1 23 23 PRO HG2 H 1 1.7356 0.008 . 2 . . . A 524 PRO HG2 . 18840 1 256 . 1 1 23 23 PRO HG3 H 1 1.3497 0.008 . 2 . . . A 524 PRO HG3 . 18840 1 257 . 1 1 23 23 PRO HD2 H 1 3.8628 0.008 . 2 . . . A 524 PRO HD2 . 18840 1 258 . 1 1 23 23 PRO HD3 H 1 3.5740 0.008 . 2 . . . A 524 PRO HD3 . 18840 1 259 . 1 1 23 23 PRO C C 13 176.0401 0.08 . 1 . . . A 524 PRO C . 18840 1 260 . 1 1 23 23 PRO CA C 13 63.1146 0.08 . 1 . . . A 524 PRO CA . 18840 1 261 . 1 1 23 23 PRO CB C 13 32.8300 0.08 . 1 . . . A 524 PRO CB . 18840 1 262 . 1 1 23 23 PRO CG C 13 26.5128 0.08 . 1 . . . A 524 PRO CG . 18840 1 263 . 1 1 23 23 PRO CD C 13 51.2732 0.08 . 1 . . . A 524 PRO CD . 18840 1 264 . 1 1 24 24 PHE H H 1 8.1479 0.008 . 1 . . . A 525 PHE H . 18840 1 265 . 1 1 24 24 PHE HA H 1 5.0392 0.008 . 1 . . . A 525 PHE HA . 18840 1 266 . 1 1 24 24 PHE HB2 H 1 3.5400 0.008 . 2 . . . A 525 PHE HB2 . 18840 1 267 . 1 1 24 24 PHE HB3 H 1 2.5977 0.008 . 2 . . . A 525 PHE HB3 . 18840 1 268 . 1 1 24 24 PHE HD2 H 1 6.9853 0.008 . 3 . . . A 525 PHE HD2 . 18840 1 269 . 1 1 24 24 PHE HE2 H 1 7.2819 0.008 . 3 . . . A 525 PHE HE2 . 18840 1 270 . 1 1 24 24 PHE HZ H 1 6.9824 0.008 . 1 . . . A 525 PHE HZ . 18840 1 271 . 1 1 24 24 PHE C C 13 174.4366 0.08 . 1 . . . A 525 PHE C . 18840 1 272 . 1 1 24 24 PHE CA C 13 56.0800 0.08 . 1 . . . A 525 PHE CA . 18840 1 273 . 1 1 24 24 PHE CB C 13 39.7800 0.08 . 1 . . . A 525 PHE CB . 18840 1 274 . 1 1 24 24 PHE CD2 C 13 130.5049 0.5 . 1 . . . A 525 PHE CD2 . 18840 1 275 . 1 1 24 24 PHE CE2 C 13 129.5035 0.5 . 1 . . . A 525 PHE CE2 . 18840 1 276 . 1 1 24 24 PHE CZ C 13 131.1656 0.5 . 1 . . . A 525 PHE CZ . 18840 1 277 . 1 1 24 24 PHE N N 15 116.2226 0.3 . 1 . . . A 525 PHE N . 18840 1 278 . 1 1 25 25 PHE H H 1 9.5224 0.008 . 1 . . . A 526 PHE H . 18840 1 279 . 1 1 25 25 PHE HA H 1 5.1018 0.008 . 1 . . . A 526 PHE HA . 18840 1 280 . 1 1 25 25 PHE HB2 H 1 2.7830 0.008 . 2 . . . A 526 PHE HB2 . 18840 1 281 . 1 1 25 25 PHE HB3 H 1 2.7830 0.008 . 2 . . . A 526 PHE HB3 . 18840 1 282 . 1 1 25 25 PHE HD1 H 1 5.7905 0.008 . 3 . . . A 526 PHE HD1 . 18840 1 283 . 1 1 25 25 PHE HE1 H 1 6.3744 0.008 . 3 . . . A 526 PHE HE1 . 18840 1 284 . 1 1 25 25 PHE HZ H 1 5.4172 0.008 . 1 . . . A 526 PHE HZ . 18840 1 285 . 1 1 25 25 PHE C C 13 175.2215 0.08 . 1 . . . A 526 PHE C . 18840 1 286 . 1 1 25 25 PHE CA C 13 56.8647 0.08 . 1 . . . A 526 PHE CA . 18840 1 287 . 1 1 25 25 PHE CB C 13 41.6607 0.08 . 1 . . . A 526 PHE CB . 18840 1 288 . 1 1 25 25 PHE CD1 C 13 131.1583 0.5 . 1 . . . A 526 PHE CD1 . 18840 1 289 . 1 1 25 25 PHE CE1 C 13 129.8601 0.5 . 1 . . . A 526 PHE CE1 . 18840 1 290 . 1 1 25 25 PHE CZ C 13 128.5164 0.5 . 1 . . . A 526 PHE CZ . 18840 1 291 . 1 1 25 25 PHE N N 15 125.8605 0.3 . 1 . . . A 526 PHE N . 18840 1 292 . 1 1 26 26 CYS H H 1 7.7227 0.008 . 1 . . . A 527 CYS H . 18840 1 293 . 1 1 26 26 CYS HA H 1 4.9309 0.008 . 1 . . . A 527 CYS HA . 18840 1 294 . 1 1 26 26 CYS HB2 H 1 3.1737 0.008 . 2 . . . A 527 CYS HB2 . 18840 1 295 . 1 1 26 26 CYS HB3 H 1 3.0197 0.008 . 2 . . . A 527 CYS HB3 . 18840 1 296 . 1 1 26 26 CYS C C 13 174.0523 0.08 . 1 . . . A 527 CYS C . 18840 1 297 . 1 1 26 26 CYS CA C 13 58.2674 0.08 . 1 . . . A 527 CYS CA . 18840 1 298 . 1 1 26 26 CYS CB C 13 31.0754 0.08 . 1 . . . A 527 CYS CB . 18840 1 299 . 1 1 26 26 CYS N N 15 128.6630 0.3 . 1 . . . A 527 CYS N . 18840 1 300 . 1 1 27 27 ARG H H 1 8.8656 0.008 . 1 . . . A 528 ARG H . 18840 1 301 . 1 1 27 27 ARG HA H 1 4.1477 0.008 . 1 . . . A 528 ARG HA . 18840 1 302 . 1 1 27 27 ARG HB2 H 1 2.1052 0.008 . 2 . . . A 528 ARG HB2 . 18840 1 303 . 1 1 27 27 ARG HB3 H 1 1.8983 0.008 . 2 . . . A 528 ARG HB3 . 18840 1 304 . 1 1 27 27 ARG HG2 H 1 2.0853 0.008 . 2 . . . A 528 ARG HG2 . 18840 1 305 . 1 1 27 27 ARG HG3 H 1 1.7682 0.008 . 2 . . . A 528 ARG HG3 . 18840 1 306 . 1 1 27 27 ARG HD2 H 1 3.3076 0.008 . 2 . . . A 528 ARG HD2 . 18840 1 307 . 1 1 27 27 ARG HD3 H 1 3.3076 0.008 . 2 . . . A 528 ARG HD3 . 18840 1 308 . 1 1 27 27 ARG C C 13 175.4057 0.08 . 1 . . . A 528 ARG C . 18840 1 309 . 1 1 27 27 ARG CA C 13 55.9712 0.08 . 1 . . . A 528 ARG CA . 18840 1 310 . 1 1 27 27 ARG CB C 13 31.1647 0.08 . 1 . . . A 528 ARG CB . 18840 1 311 . 1 1 27 27 ARG CG C 13 27.0981 0.08 . 1 . . . A 528 ARG CG . 18840 1 312 . 1 1 27 27 ARG CD C 13 44.1514 0.08 . 1 . . . A 528 ARG CD . 18840 1 313 . 1 1 27 27 ARG N N 15 125.3543 0.3 . 1 . . . A 528 ARG N . 18840 1 314 . 1 1 28 28 ASP H H 1 8.1976 0.008 . 1 . . . A 529 ASP H . 18840 1 315 . 1 1 28 28 ASP HA H 1 4.2031 0.008 . 1 . . . A 529 ASP HA . 18840 1 316 . 1 1 28 28 ASP HB2 H 1 1.9885 0.008 . 2 . . . A 529 ASP HB2 . 18840 1 317 . 1 1 28 28 ASP HB3 H 1 1.5259 0.008 . 2 . . . A 529 ASP HB3 . 18840 1 318 . 1 1 28 28 ASP C C 13 178.1045 0.08 . 1 . . . A 529 ASP C . 18840 1 319 . 1 1 28 28 ASP CA C 13 56.2881 0.08 . 1 . . . A 529 ASP CA . 18840 1 320 . 1 1 28 28 ASP CB C 13 43.5744 0.08 . 1 . . . A 529 ASP CB . 18840 1 321 . 1 1 28 28 ASP N N 15 124.0012 0.3 . 1 . . . A 529 ASP N . 18840 1 322 . 1 1 29 29 GLN H H 1 8.7462 0.008 . 1 . . . A 530 GLN H . 18840 1 323 . 1 1 29 29 GLN HA H 1 3.8943 0.008 . 1 . . . A 530 GLN HA . 18840 1 324 . 1 1 29 29 GLN HB2 H 1 2.1089 0.008 . 2 . . . A 530 GLN HB2 . 18840 1 325 . 1 1 29 29 GLN HB3 H 1 2.0576 0.008 . 2 . . . A 530 GLN HB3 . 18840 1 326 . 1 1 29 29 GLN HG2 H 1 2.3792 0.008 . 2 . . . A 530 GLN HG2 . 18840 1 327 . 1 1 29 29 GLN HG3 H 1 2.3792 0.008 . 2 . . . A 530 GLN HG3 . 18840 1 328 . 1 1 29 29 GLN HE21 H 1 7.5150 0.008 . 2 . . . A 530 GLN HE21 . 18840 1 329 . 1 1 29 29 GLN HE22 H 1 6.6967 0.008 . 2 . . . A 530 GLN HE22 . 18840 1 330 . 1 1 29 29 GLN C C 13 177.4713 0.08 . 1 . . . A 530 GLN C . 18840 1 331 . 1 1 29 29 GLN CA C 13 59.1588 0.08 . 1 . . . A 530 GLN CA . 18840 1 332 . 1 1 29 29 GLN CB C 13 28.7308 0.08 . 1 . . . A 530 GLN CB . 18840 1 333 . 1 1 29 29 GLN CG C 13 33.7682 0.08 . 1 . . . A 530 GLN CG . 18840 1 334 . 1 1 29 29 GLN CD C 13 180.1019 0.08 . 1 . . . A 530 GLN CD . 18840 1 335 . 1 1 29 29 GLN N N 15 125.3722 0.3 . 1 . . . A 530 GLN N . 18840 1 336 . 1 1 29 29 GLN NE2 N 15 112.2291 0.3 . 1 . . . A 530 GLN NE2 . 18840 1 337 . 1 1 30 30 VAL H H 1 8.6587 0.008 . 1 . . . A 531 VAL H . 18840 1 338 . 1 1 30 30 VAL HA H 1 4.2821 0.008 . 1 . . . A 531 VAL HA . 18840 1 339 . 1 1 30 30 VAL HB H 1 2.4026 0.008 . 1 . . . A 531 VAL HB . 18840 1 340 . 1 1 30 30 VAL HG11 H 1 1.2093 0.008 . 1 . . . A 531 VAL HG11 . 18840 1 341 . 1 1 30 30 VAL HG12 H 1 1.2093 0.008 . 1 . . . A 531 VAL HG12 . 18840 1 342 . 1 1 30 30 VAL HG13 H 1 1.2093 0.008 . 1 . . . A 531 VAL HG13 . 18840 1 343 . 1 1 30 30 VAL HG21 H 1 1.0565 0.008 . 1 . . . A 531 VAL HG21 . 18840 1 344 . 1 1 30 30 VAL HG22 H 1 1.0565 0.008 . 1 . . . A 531 VAL HG22 . 18840 1 345 . 1 1 30 30 VAL HG23 H 1 1.0565 0.008 . 1 . . . A 531 VAL HG23 . 18840 1 346 . 1 1 30 30 VAL C C 13 176.2950 0.08 . 1 . . . A 531 VAL C . 18840 1 347 . 1 1 30 30 VAL CA C 13 63.3239 0.08 . 1 . . . A 531 VAL CA . 18840 1 348 . 1 1 30 30 VAL CB C 13 31.4567 0.08 . 1 . . . A 531 VAL CB . 18840 1 349 . 1 1 30 30 VAL CG1 C 13 20.5869 0.08 . 2 . . . A 531 VAL CG1 . 18840 1 350 . 1 1 30 30 VAL CG2 C 13 21.4519 0.08 . 2 . . . A 531 VAL CG2 . 18840 1 351 . 1 1 30 30 VAL N N 15 113.1368 0.3 . 1 . . . A 531 VAL N . 18840 1 352 . 1 1 31 31 CYS H H 1 8.0225 0.008 . 1 . . . A 532 CYS H . 18840 1 353 . 1 1 31 31 CYS HA H 1 4.5682 0.008 . 1 . . . A 532 CYS HA . 18840 1 354 . 1 1 31 31 CYS HB2 H 1 3.4273 0.008 . 2 . . . A 532 CYS HB2 . 18840 1 355 . 1 1 31 31 CYS HB3 H 1 3.1544 0.008 . 2 . . . A 532 CYS HB3 . 18840 1 356 . 1 1 31 31 CYS C C 13 172.9939 0.08 . 1 . . . A 532 CYS C . 18840 1 357 . 1 1 31 31 CYS CA C 13 60.4367 0.08 . 1 . . . A 532 CYS CA . 18840 1 358 . 1 1 31 31 CYS CB C 13 31.8558 0.08 . 1 . . . A 532 CYS CB . 18840 1 359 . 1 1 31 31 CYS N N 15 121.0340 0.3 . 1 . . . A 532 CYS N . 18840 1 360 . 1 1 32 32 PHE H H 1 7.9285 0.008 . 1 . . . A 533 PHE H . 18840 1 361 . 1 1 32 32 PHE HA H 1 4.1969 0.008 . 1 . . . A 533 PHE HA . 18840 1 362 . 1 1 32 32 PHE HB2 H 1 3.7049 0.008 . 2 . . . A 533 PHE HB2 . 18840 1 363 . 1 1 32 32 PHE HB3 H 1 2.6019 0.008 . 2 . . . A 533 PHE HB3 . 18840 1 364 . 1 1 32 32 PHE HD2 H 1 7.3358 0.008 . 3 . . . A 533 PHE HD2 . 18840 1 365 . 1 1 32 32 PHE HE2 H 1 7.4647 0.008 . 3 . . . A 533 PHE HE2 . 18840 1 366 . 1 1 32 32 PHE C C 13 174.8303 0.08 . 1 . . . A 533 PHE C . 18840 1 367 . 1 1 32 32 PHE CA C 13 59.7544 0.08 . 1 . . . A 533 PHE CA . 18840 1 368 . 1 1 32 32 PHE CB C 13 38.2598 0.08 . 1 . . . A 533 PHE CB . 18840 1 369 . 1 1 32 32 PHE CD2 C 13 132.3386 0.5 . 1 . . . A 533 PHE CD2 . 18840 1 370 . 1 1 32 32 PHE CE2 C 13 131.2132 0.5 . 1 . . . A 533 PHE CE2 . 18840 1 371 . 1 1 32 32 PHE N N 15 129.3891 0.3 . 1 . . . A 533 PHE N . 18840 1 372 . 1 1 33 33 LYS H H 1 6.4304 0.008 . 1 . . . A 534 LYS H . 18840 1 373 . 1 1 33 33 LYS HA H 1 4.4662 0.008 . 1 . . . A 534 LYS HA . 18840 1 374 . 1 1 33 33 LYS HB2 H 1 1.5555 0.008 . 2 . . . A 534 LYS HB2 . 18840 1 375 . 1 1 33 33 LYS HB3 H 1 1.1050 0.008 . 2 . . . A 534 LYS HB3 . 18840 1 376 . 1 1 33 33 LYS HG2 H 1 1.1486 0.008 . 2 . . . A 534 LYS HG2 . 18840 1 377 . 1 1 33 33 LYS HG3 H 1 1.1486 0.008 . 2 . . . A 534 LYS HG3 . 18840 1 378 . 1 1 33 33 LYS HD2 H 1 1.3388 0.008 . 2 . . . A 534 LYS HD2 . 18840 1 379 . 1 1 33 33 LYS HD3 H 1 1.3388 0.008 . 2 . . . A 534 LYS HD3 . 18840 1 380 . 1 1 33 33 LYS HE2 H 1 2.9216 0.008 . 2 . . . A 534 LYS HE2 . 18840 1 381 . 1 1 33 33 LYS HE3 H 1 2.9216 0.008 . 2 . . . A 534 LYS HE3 . 18840 1 382 . 1 1 33 33 LYS C C 13 173.0547 0.08 . 1 . . . A 534 LYS C . 18840 1 383 . 1 1 33 33 LYS CA C 13 54.0681 0.08 . 1 . . . A 534 LYS CA . 18840 1 384 . 1 1 33 33 LYS CB C 13 37.7996 0.08 . 1 . . . A 534 LYS CB . 18840 1 385 . 1 1 33 33 LYS CG C 13 24.5174 0.08 . 1 . . . A 534 LYS CG . 18840 1 386 . 1 1 33 33 LYS CD C 13 29.2600 0.08 . 1 . . . A 534 LYS CD . 18840 1 387 . 1 1 33 33 LYS CE C 13 42.2562 0.08 . 1 . . . A 534 LYS CE . 18840 1 388 . 1 1 33 33 LYS N N 15 113.6763 0.3 . 1 . . . A 534 LYS N . 18840 1 389 . 1 1 34 34 TYR H H 1 7.1454 0.008 . 1 . . . A 535 TYR H . 18840 1 390 . 1 1 34 34 TYR HA H 1 5.1655 0.008 . 1 . . . A 535 TYR HA . 18840 1 391 . 1 1 34 34 TYR HB2 H 1 3.3457 0.008 . 1 . . . A 535 TYR HB2 . 18840 1 392 . 1 1 34 34 TYR HB3 H 1 2.3675 0.008 . 1 . . . A 535 TYR HB3 . 18840 1 393 . 1 1 34 34 TYR HD1 H 1 7.2054 0.008 . 3 . . . A 535 TYR HD1 . 18840 1 394 . 1 1 34 34 TYR HE1 H 1 6.7181 0.008 . 3 . . . A 535 TYR HE1 . 18840 1 395 . 1 1 34 34 TYR C C 13 175.8880 0.08 . 1 . . . A 535 TYR C . 18840 1 396 . 1 1 34 34 TYR CA C 13 58.5934 0.08 . 1 . . . A 535 TYR CA . 18840 1 397 . 1 1 34 34 TYR CB C 13 40.0200 0.08 . 1 . . . A 535 TYR CB . 18840 1 398 . 1 1 34 34 TYR CD1 C 13 133.7124 0.5 . 1 . . . A 535 TYR CD1 . 18840 1 399 . 1 1 34 34 TYR CE1 C 13 118.6852 0.5 . 1 . . . A 535 TYR CE1 . 18840 1 400 . 1 1 34 34 TYR N N 15 117.6857 0.3 . 1 . . . A 535 TYR N . 18840 1 401 . 1 1 35 35 PHE H H 1 9.6077 0.008 . 1 . . . A 536 PHE H . 18840 1 402 . 1 1 35 35 PHE HA H 1 6.3987 0.008 . 1 . . . A 536 PHE HA . 18840 1 403 . 1 1 35 35 PHE HB2 H 1 3.9504 0.008 . 2 . . . A 536 PHE HB2 . 18840 1 404 . 1 1 35 35 PHE HB3 H 1 3.5162 0.008 . 2 . . . A 536 PHE HB3 . 18840 1 405 . 1 1 35 35 PHE HD2 H 1 7.5215 0.008 . 3 . . . A 536 PHE HD2 . 18840 1 406 . 1 1 35 35 PHE HE2 H 1 7.0655 0.008 . 3 . . . A 536 PHE HE2 . 18840 1 407 . 1 1 35 35 PHE HZ H 1 7.1160 0.008 . 1 . . . A 536 PHE HZ . 18840 1 408 . 1 1 35 35 PHE C C 13 177.1275 0.08 . 1 . . . A 536 PHE C . 18840 1 409 . 1 1 35 35 PHE CA C 13 57.0563 0.08 . 1 . . . A 536 PHE CA . 18840 1 410 . 1 1 35 35 PHE CB C 13 45.2173 0.08 . 1 . . . A 536 PHE CB . 18840 1 411 . 1 1 35 35 PHE CD2 C 13 133.3363 0.5 . 1 . . . A 536 PHE CD2 . 18840 1 412 . 1 1 35 35 PHE CE2 C 13 130.8285 0.5 . 1 . . . A 536 PHE CE2 . 18840 1 413 . 1 1 35 35 PHE CZ C 13 128.4825 0.5 . 1 . . . A 536 PHE CZ . 18840 1 414 . 1 1 35 35 PHE N N 15 117.4970 0.3 . 1 . . . A 536 PHE N . 18840 1 415 . 1 1 36 36 CYS H H 1 9.7765 0.008 . 1 . . . A 537 CYS H . 18840 1 416 . 1 1 36 36 CYS HA H 1 5.4989 0.008 . 1 . . . A 537 CYS HA . 18840 1 417 . 1 1 36 36 CYS HB2 H 1 3.6148 0.008 . 2 . . . A 537 CYS HB2 . 18840 1 418 . 1 1 36 36 CYS HB3 H 1 3.3458 0.008 . 2 . . . A 537 CYS HB3 . 18840 1 419 . 1 1 36 36 CYS C C 13 176.1283 0.08 . 1 . . . A 537 CYS C . 18840 1 420 . 1 1 36 36 CYS CA C 13 58.0967 0.08 . 1 . . . A 537 CYS CA . 18840 1 421 . 1 1 36 36 CYS CB C 13 32.3065 0.08 . 1 . . . A 537 CYS CB . 18840 1 422 . 1 1 36 36 CYS N N 15 119.6238 0.3 . 1 . . . A 537 CYS N . 18840 1 423 . 1 1 37 37 ARG H H 1 9.3748 0.008 . 1 . . . A 538 ARG H . 18840 1 424 . 1 1 37 37 ARG HA H 1 3.7906 0.008 . 1 . . . A 538 ARG HA . 18840 1 425 . 1 1 37 37 ARG HB2 H 1 2.0673 0.008 . 2 . . . A 538 ARG HB2 . 18840 1 426 . 1 1 37 37 ARG HB3 H 1 2.0673 0.008 . 2 . . . A 538 ARG HB3 . 18840 1 427 . 1 1 37 37 ARG HG2 H 1 1.6442 0.008 . 2 . . . A 538 ARG HG2 . 18840 1 428 . 1 1 37 37 ARG HG3 H 1 1.6442 0.008 . 2 . . . A 538 ARG HG3 . 18840 1 429 . 1 1 37 37 ARG HD2 H 1 3.2467 0.008 . 2 . . . A 538 ARG HD2 . 18840 1 430 . 1 1 37 37 ARG HD3 H 1 3.2467 0.008 . 2 . . . A 538 ARG HD3 . 18840 1 431 . 1 1 37 37 ARG C C 13 178.4034 0.08 . 1 . . . A 538 ARG C . 18840 1 432 . 1 1 37 37 ARG CA C 13 60.9372 0.08 . 1 . . . A 538 ARG CA . 18840 1 433 . 1 1 37 37 ARG CB C 13 30.3923 0.08 . 1 . . . A 538 ARG CB . 18840 1 434 . 1 1 37 37 ARG CG C 13 27.3437 0.08 . 1 . . . A 538 ARG CG . 18840 1 435 . 1 1 37 37 ARG CD C 13 43.3099 0.08 . 1 . . . A 538 ARG CD . 18840 1 436 . 1 1 37 37 ARG N N 15 120.5726 0.3 . 1 . . . A 538 ARG N . 18840 1 437 . 1 1 38 38 SER H H 1 8.5489 0.008 . 1 . . . A 539 SER H . 18840 1 438 . 1 1 38 38 SER HA H 1 4.4907 0.008 . 1 . . . A 539 SER HA . 18840 1 439 . 1 1 38 38 SER HB2 H 1 4.1470 0.008 . 2 . . . A 539 SER HB2 . 18840 1 440 . 1 1 38 38 SER HB3 H 1 4.1470 0.008 . 2 . . . A 539 SER HB3 . 18840 1 441 . 1 1 38 38 SER C C 13 178.6097 0.08 . 1 . . . A 539 SER C . 18840 1 442 . 1 1 38 38 SER CA C 13 62.1589 0.08 . 1 . . . A 539 SER CA . 18840 1 443 . 1 1 38 38 SER CB C 13 62.9341 0.08 . 1 . . . A 539 SER CB . 18840 1 444 . 1 1 38 38 SER N N 15 114.5619 0.3 . 1 . . . A 539 SER N . 18840 1 445 . 1 1 39 39 CYS H H 1 9.5338 0.008 . 1 . . . A 540 CYS H . 18840 1 446 . 1 1 39 39 CYS HA H 1 4.4543 0.008 . 1 . . . A 540 CYS HA . 18840 1 447 . 1 1 39 39 CYS HB2 H 1 3.5296 0.008 . 2 . . . A 540 CYS HB2 . 18840 1 448 . 1 1 39 39 CYS HB3 H 1 3.2944 0.008 . 2 . . . A 540 CYS HB3 . 18840 1 449 . 1 1 39 39 CYS C C 13 178.5463 0.08 . 1 . . . A 540 CYS C . 18840 1 450 . 1 1 39 39 CYS CA C 13 65.0242 0.08 . 1 . . . A 540 CYS CA . 18840 1 451 . 1 1 39 39 CYS CB C 13 30.7475 0.08 . 1 . . . A 540 CYS CB . 18840 1 452 . 1 1 39 39 CYS N N 15 126.9896 0.3 . 1 . . . A 540 CYS N . 18840 1 453 . 1 1 40 40 TRP H H 1 9.6323 0.008 . 1 . . . A 541 TRP H . 18840 1 454 . 1 1 40 40 TRP HA H 1 3.3193 0.008 . 1 . . . A 541 TRP HA . 18840 1 455 . 1 1 40 40 TRP HB2 H 1 3.4785 0.008 . 2 . . . A 541 TRP HB2 . 18840 1 456 . 1 1 40 40 TRP HB3 H 1 3.3076 0.008 . 2 . . . A 541 TRP HB3 . 18840 1 457 . 1 1 40 40 TRP HD1 H 1 6.3944 0.008 . 1 . . . A 541 TRP HD1 . 18840 1 458 . 1 1 40 40 TRP HE1 H 1 10.3925 0.008 . 1 . . . A 541 TRP HE1 . 18840 1 459 . 1 1 40 40 TRP HE3 H 1 7.2981 0.008 . 1 . . . A 541 TRP HE3 . 18840 1 460 . 1 1 40 40 TRP HZ2 H 1 6.3324 0.008 . 1 . . . A 541 TRP HZ2 . 18840 1 461 . 1 1 40 40 TRP HZ3 H 1 6.6883 0.008 . 1 . . . A 541 TRP HZ3 . 18840 1 462 . 1 1 40 40 TRP HH2 H 1 6.6631 0.008 . 1 . . . A 541 TRP HH2 . 18840 1 463 . 1 1 40 40 TRP C C 13 179.6707 0.08 . 1 . . . A 541 TRP C . 18840 1 464 . 1 1 40 40 TRP CA C 13 62.7833 0.08 . 1 . . . A 541 TRP CA . 18840 1 465 . 1 1 40 40 TRP CB C 13 27.7471 0.08 . 1 . . . A 541 TRP CB . 18840 1 466 . 1 1 40 40 TRP CD1 C 13 127.1650 0.5 . 1 . . . A 541 TRP CD1 . 18840 1 467 . 1 1 40 40 TRP CE3 C 13 118.6360 0.5 . 1 . . . A 541 TRP CE3 . 18840 1 468 . 1 1 40 40 TRP CZ2 C 13 113.2232 0.5 . 1 . . . A 541 TRP CZ2 . 18840 1 469 . 1 1 40 40 TRP CZ3 C 13 121.0820 0.5 . 1 . . . A 541 TRP CZ3 . 18840 1 470 . 1 1 40 40 TRP CH2 C 13 124.3790 0.5 . 1 . . . A 541 TRP CH2 . 18840 1 471 . 1 1 40 40 TRP N N 15 121.0367 0.3 . 1 . . . A 541 TRP N . 18840 1 472 . 1 1 40 40 TRP NE1 N 15 132.0997 0.4 . 1 . . . A 541 TRP NE1 . 18840 1 473 . 1 1 41 41 HIS H H 1 8.0735 0.008 . 1 . . . A 542 HIS H . 18840 1 474 . 1 1 41 41 HIS HA H 1 4.3305 0.008 . 1 . . . A 542 HIS HA . 18840 1 475 . 1 1 41 41 HIS HB2 H 1 3.3614 0.008 . 2 . . . A 542 HIS HB2 . 18840 1 476 . 1 1 41 41 HIS HB3 H 1 3.3382 0.008 . 2 . . . A 542 HIS HB3 . 18840 1 477 . 1 1 41 41 HIS HD2 H 1 7.2741 0.008 . 1 . . . A 542 HIS HD2 . 18840 1 478 . 1 1 41 41 HIS HE1 H 1 7.9880 0.008 . 1 . . . A 542 HIS HE1 . 18840 1 479 . 1 1 41 41 HIS C C 13 177.2912 0.08 . 1 . . . A 542 HIS C . 18840 1 480 . 1 1 41 41 HIS CA C 13 59.9087 0.08 . 1 . . . A 542 HIS CA . 18840 1 481 . 1 1 41 41 HIS CB C 13 30.5938 0.08 . 1 . . . A 542 HIS CB . 18840 1 482 . 1 1 41 41 HIS CD2 C 13 120.0432 0.5 . 1 . . . A 542 HIS CD2 . 18840 1 483 . 1 1 41 41 HIS CE1 C 13 138.7623 0.5 . 1 . . . A 542 HIS CE1 . 18840 1 484 . 1 1 41 41 HIS N N 15 119.2506 0.3 . 1 . . . A 542 HIS N . 18840 1 485 . 1 1 41 41 HIS ND1 N 15 240.1526 0.4 . 1 . . . A 542 HIS ND1 . 18840 1 486 . 1 1 41 41 HIS NE2 N 15 176.9073 0.4 . 1 . . . A 542 HIS NE2 . 18840 1 487 . 1 1 42 42 TRP H H 1 8.1997 0.008 . 1 . . . A 543 TRP H . 18840 1 488 . 1 1 42 42 TRP HA H 1 4.2309 0.008 . 1 . . . A 543 TRP HA . 18840 1 489 . 1 1 42 42 TRP HB2 H 1 3.4633 0.008 . 2 . . . A 543 TRP HB2 . 18840 1 490 . 1 1 42 42 TRP HB3 H 1 3.4391 0.008 . 2 . . . A 543 TRP HB3 . 18840 1 491 . 1 1 42 42 TRP HD1 H 1 7.2954 0.008 . 1 . . . A 543 TRP HD1 . 18840 1 492 . 1 1 42 42 TRP HE1 H 1 10.1390 0.008 . 1 . . . A 543 TRP HE1 . 18840 1 493 . 1 1 42 42 TRP HE3 H 1 7.6660 0.008 . 1 . . . A 543 TRP HE3 . 18840 1 494 . 1 1 42 42 TRP HZ2 H 1 7.4868 0.008 . 1 . . . A 543 TRP HZ2 . 18840 1 495 . 1 1 42 42 TRP HZ3 H 1 7.1012 0.008 . 1 . . . A 543 TRP HZ3 . 18840 1 496 . 1 1 42 42 TRP HH2 H 1 7.2274 0.008 . 1 . . . A 543 TRP HH2 . 18840 1 497 . 1 1 42 42 TRP C C 13 178.2558 0.08 . 1 . . . A 543 TRP C . 18840 1 498 . 1 1 42 42 TRP CA C 13 60.9590 0.08 . 1 . . . A 543 TRP CA . 18840 1 499 . 1 1 42 42 TRP CB C 13 28.5933 0.08 . 1 . . . A 543 TRP CB . 18840 1 500 . 1 1 42 42 TRP CD1 C 13 127.5691 0.5 . 1 . . . A 543 TRP CD1 . 18840 1 501 . 1 1 42 42 TRP CE3 C 13 120.1712 0.5 . 1 . . . A 543 TRP CE3 . 18840 1 502 . 1 1 42 42 TRP CZ2 C 13 114.8442 0.5 . 1 . . . A 543 TRP CZ2 . 18840 1 503 . 1 1 42 42 TRP CZ3 C 13 121.7463 0.5 . 1 . . . A 543 TRP CZ3 . 18840 1 504 . 1 1 42 42 TRP CH2 C 13 124.2932 0.5 . 1 . . . A 543 TRP CH2 . 18840 1 505 . 1 1 42 42 TRP N N 15 121.2118 0.3 . 1 . . . A 543 TRP N . 18840 1 506 . 1 1 42 42 TRP NE1 N 15 130.3442 0.4 . 1 . . . A 543 TRP NE1 . 18840 1 507 . 1 1 43 43 ARG H H 1 8.1943 0.008 . 1 . . . A 544 ARG H . 18840 1 508 . 1 1 43 43 ARG HA H 1 3.1992 0.008 . 1 . . . A 544 ARG HA . 18840 1 509 . 1 1 43 43 ARG HB2 H 1 1.6371 0.008 . 2 . . . A 544 ARG HB2 . 18840 1 510 . 1 1 43 43 ARG HB3 H 1 1.0248 0.008 . 2 . . . A 544 ARG HB3 . 18840 1 511 . 1 1 43 43 ARG HG2 H 1 0.9059 0.008 . 2 . . . A 544 ARG HG2 . 18840 1 512 . 1 1 43 43 ARG HG3 H 1 0.0742 0.008 . 2 . . . A 544 ARG HG3 . 18840 1 513 . 1 1 43 43 ARG HD2 H 1 2.9178 0.008 . 2 . . . A 544 ARG HD2 . 18840 1 514 . 1 1 43 43 ARG HD3 H 1 2.7188 0.008 . 2 . . . A 544 ARG HD3 . 18840 1 515 . 1 1 43 43 ARG C C 13 176.0930 0.08 . 1 . . . A 544 ARG C . 18840 1 516 . 1 1 43 43 ARG CA C 13 57.1486 0.08 . 1 . . . A 544 ARG CA . 18840 1 517 . 1 1 43 43 ARG CB C 13 29.9425 0.08 . 1 . . . A 544 ARG CB . 18840 1 518 . 1 1 43 43 ARG CG C 13 24.8749 0.08 . 1 . . . A 544 ARG CG . 18840 1 519 . 1 1 43 43 ARG CD C 13 42.6173 0.08 . 1 . . . A 544 ARG CD . 18840 1 520 . 1 1 43 43 ARG N N 15 118.0442 0.3 . 1 . . . A 544 ARG N . 18840 1 521 . 1 1 44 44 HIS H H 1 7.4105 0.008 . 1 . . . A 545 HIS H . 18840 1 522 . 1 1 44 44 HIS HA H 1 3.7815 0.008 . 1 . . . A 545 HIS HA . 18840 1 523 . 1 1 44 44 HIS HB2 H 1 3.2985 0.008 . 2 . . . A 545 HIS HB2 . 18840 1 524 . 1 1 44 44 HIS HB3 H 1 2.1441 0.008 . 2 . . . A 545 HIS HB3 . 18840 1 525 . 1 1 44 44 HIS HD1 H 1 8.8447 0.008 . 1 . . . A 545 HIS HD1 . 18840 1 526 . 1 1 44 44 HIS HD2 H 1 6.7752 0.008 . 1 . . . A 545 HIS HD2 . 18840 1 527 . 1 1 44 44 HIS HE1 H 1 7.7347 0.008 . 1 . . . A 545 HIS HE1 . 18840 1 528 . 1 1 44 44 HIS C C 13 173.2471 0.08 . 1 . . . A 545 HIS C . 18840 1 529 . 1 1 44 44 HIS CA C 13 58.8483 0.08 . 1 . . . A 545 HIS CA . 18840 1 530 . 1 1 44 44 HIS CB C 13 25.3136 0.08 . 1 . . . A 545 HIS CB . 18840 1 531 . 1 1 44 44 HIS CD2 C 13 125.9995 0.5 . 1 . . . A 545 HIS CD2 . 18840 1 532 . 1 1 44 44 HIS CE1 C 13 139.7806 0.5 . 1 . . . A 545 HIS CE1 . 18840 1 533 . 1 1 44 44 HIS N N 15 109.0488 0.3 . 1 . . . A 545 HIS N . 18840 1 534 . 1 1 44 44 HIS ND1 N 15 168.9887 0.4 . 1 . . . A 545 HIS ND1 . 18840 1 535 . 1 1 44 44 HIS NE2 N 15 217.5811 0.4 . 1 . . . A 545 HIS NE2 . 18840 1 536 . 1 1 45 45 SER H H 1 6.9481 0.008 . 1 . . . A 546 SER H . 18840 1 537 . 1 1 45 45 SER HA H 1 4.3356 0.008 . 1 . . . A 546 SER HA . 18840 1 538 . 1 1 45 45 SER HB2 H 1 3.7971 0.008 . 2 . . . A 546 SER HB2 . 18840 1 539 . 1 1 45 45 SER HB3 H 1 3.7971 0.008 . 2 . . . A 546 SER HB3 . 18840 1 540 . 1 1 45 45 SER C C 13 174.7142 0.08 . 1 . . . A 546 SER C . 18840 1 541 . 1 1 45 45 SER CA C 13 59.0418 0.08 . 1 . . . A 546 SER CA . 18840 1 542 . 1 1 45 45 SER CB C 13 63.4641 0.08 . 1 . . . A 546 SER CB . 18840 1 543 . 1 1 45 45 SER N N 15 112.3533 0.3 . 1 . . . A 546 SER N . 18840 1 544 . 1 1 46 46 MET H H 1 6.8208 0.008 . 1 . . . A 547 MET H . 18840 1 545 . 1 1 46 46 MET HA H 1 4.1880 0.008 . 1 . . . A 547 MET HA . 18840 1 546 . 1 1 46 46 MET HB2 H 1 1.8088 0.008 . 2 . . . A 547 MET HB2 . 18840 1 547 . 1 1 46 46 MET HB3 H 1 1.8088 0.008 . 2 . . . A 547 MET HB3 . 18840 1 548 . 1 1 46 46 MET HG2 H 1 2.4252 0.008 . 2 . . . A 547 MET HG2 . 18840 1 549 . 1 1 46 46 MET HG3 H 1 2.2917 0.008 . 2 . . . A 547 MET HG3 . 18840 1 550 . 1 1 46 46 MET HE1 H 1 1.7209 0.008 . 1 . . . A 547 MET HE1 . 18840 1 551 . 1 1 46 46 MET HE2 H 1 1.7209 0.008 . 1 . . . A 547 MET HE2 . 18840 1 552 . 1 1 46 46 MET HE3 H 1 1.7209 0.008 . 1 . . . A 547 MET HE3 . 18840 1 553 . 1 1 46 46 MET C C 13 175.4211 0.08 . 1 . . . A 547 MET C . 18840 1 554 . 1 1 46 46 MET CA C 13 55.5042 0.08 . 1 . . . A 547 MET CA . 18840 1 555 . 1 1 46 46 MET CB C 13 33.3184 0.08 . 1 . . . A 547 MET CB . 18840 1 556 . 1 1 46 46 MET CG C 13 32.2266 0.08 . 1 . . . A 547 MET CG . 18840 1 557 . 1 1 46 46 MET N N 15 121.3664 0.3 . 1 . . . A 547 MET N . 18840 1 558 . 1 1 47 47 GLU H H 1 8.5151 0.008 . 1 . . . A 548 GLU H . 18840 1 559 . 1 1 47 47 GLU HA H 1 3.8070 0.008 . 1 . . . A 548 GLU HA . 18840 1 560 . 1 1 47 47 GLU HB2 H 1 1.9953 0.008 . 2 . . . A 548 GLU HB2 . 18840 1 561 . 1 1 47 47 GLU HB3 H 1 1.9214 0.008 . 2 . . . A 548 GLU HB3 . 18840 1 562 . 1 1 47 47 GLU HG2 H 1 2.2756 0.008 . 2 . . . A 548 GLU HG2 . 18840 1 563 . 1 1 47 47 GLU HG3 H 1 2.2756 0.008 . 2 . . . A 548 GLU HG3 . 18840 1 564 . 1 1 47 47 GLU C C 13 176.9177 0.08 . 1 . . . A 548 GLU C . 18840 1 565 . 1 1 47 47 GLU CA C 13 58.7463 0.08 . 1 . . . A 548 GLU CA . 18840 1 566 . 1 1 47 47 GLU CB C 13 29.5047 0.08 . 1 . . . A 548 GLU CB . 18840 1 567 . 1 1 47 47 GLU CG C 13 35.8726 0.08 . 1 . . . A 548 GLU CG . 18840 1 568 . 1 1 47 47 GLU N N 15 122.8982 0.3 . 1 . . . A 548 GLU N . 18840 1 569 . 1 1 48 48 GLY H H 1 8.9498 0.008 . 1 . . . A 549 GLY H . 18840 1 570 . 1 1 48 48 GLY HA2 H 1 4.2679 0.008 . 2 . . . A 549 GLY HA2 . 18840 1 571 . 1 1 48 48 GLY HA3 H 1 3.8243 0.008 . 2 . . . A 549 GLY HA3 . 18840 1 572 . 1 1 48 48 GLY C C 13 174.6455 0.08 . 1 . . . A 549 GLY C . 18840 1 573 . 1 1 48 48 GLY CA C 13 45.4115 0.08 . 1 . . . A 549 GLY CA . 18840 1 574 . 1 1 48 48 GLY N N 15 112.8979 0.3 . 1 . . . A 549 GLY N . 18840 1 575 . 1 1 49 49 LEU H H 1 7.7022 0.008 . 1 . . . A 550 LEU H . 18840 1 576 . 1 1 49 49 LEU HA H 1 3.9276 0.008 . 1 . . . A 550 LEU HA . 18840 1 577 . 1 1 49 49 LEU HB2 H 1 1.2180 0.008 . 2 . . . A 550 LEU HB2 . 18840 1 578 . 1 1 49 49 LEU HB3 H 1 0.8858 0.008 . 2 . . . A 550 LEU HB3 . 18840 1 579 . 1 1 49 49 LEU HG H 1 1.1226 0.008 . 1 . . . A 550 LEU HG . 18840 1 580 . 1 1 49 49 LEU HD11 H 1 0.4596 0.008 . 1 . . . A 550 LEU HD11 . 18840 1 581 . 1 1 49 49 LEU HD12 H 1 0.4596 0.008 . 1 . . . A 550 LEU HD12 . 18840 1 582 . 1 1 49 49 LEU HD13 H 1 0.4596 0.008 . 1 . . . A 550 LEU HD13 . 18840 1 583 . 1 1 49 49 LEU HD21 H 1 0.4542 0.008 . 1 . . . A 550 LEU HD21 . 18840 1 584 . 1 1 49 49 LEU HD22 H 1 0.4542 0.008 . 1 . . . A 550 LEU HD22 . 18840 1 585 . 1 1 49 49 LEU HD23 H 1 0.4542 0.008 . 1 . . . A 550 LEU HD23 . 18840 1 586 . 1 1 49 49 LEU C C 13 177.0300 0.08 . 1 . . . A 550 LEU C . 18840 1 587 . 1 1 49 49 LEU CA C 13 54.2909 0.08 . 1 . . . A 550 LEU CA . 18840 1 588 . 1 1 49 49 LEU CB C 13 42.9680 0.08 . 1 . . . A 550 LEU CB . 18840 1 589 . 1 1 49 49 LEU CG C 13 27.5119 0.08 . 1 . . . A 550 LEU CG . 18840 1 590 . 1 1 49 49 LEU CD1 C 13 24.6732 0.08 . 2 . . . A 550 LEU CD1 . 18840 1 591 . 1 1 49 49 LEU CD2 C 13 25.4162 0.08 . 2 . . . A 550 LEU CD2 . 18840 1 592 . 1 1 49 49 LEU N N 15 118.1638 0.3 . 1 . . . A 550 LEU N . 18840 1 593 . 1 1 50 50 ARG H H 1 7.2986 0.008 . 1 . . . A 551 ARG H . 18840 1 594 . 1 1 50 50 ARG HA H 1 4.4046 0.008 . 1 . . . A 551 ARG HA . 18840 1 595 . 1 1 50 50 ARG HB2 H 1 1.9279 0.008 . 2 . . . A 551 ARG HB2 . 18840 1 596 . 1 1 50 50 ARG HB3 H 1 1.7916 0.008 . 2 . . . A 551 ARG HB3 . 18840 1 597 . 1 1 50 50 ARG HG2 H 1 1.6894 0.008 . 2 . . . A 551 ARG HG2 . 18840 1 598 . 1 1 50 50 ARG HG3 H 1 1.6894 0.008 . 2 . . . A 551 ARG HG3 . 18840 1 599 . 1 1 50 50 ARG HD2 H 1 3.1623 0.008 . 2 . . . A 551 ARG HD2 . 18840 1 600 . 1 1 50 50 ARG HD3 H 1 3.1623 0.008 . 2 . . . A 551 ARG HD3 . 18840 1 601 . 1 1 50 50 ARG C C 13 177.2058 0.08 . 1 . . . A 551 ARG C . 18840 1 602 . 1 1 50 50 ARG CA C 13 58.4060 0.08 . 1 . . . A 551 ARG CA . 18840 1 603 . 1 1 50 50 ARG CB C 13 30.3601 0.08 . 1 . . . A 551 ARG CB . 18840 1 604 . 1 1 50 50 ARG CG C 13 27.7084 0.08 . 1 . . . A 551 ARG CG . 18840 1 605 . 1 1 50 50 ARG CD C 13 43.7289 0.08 . 1 . . . A 551 ARG CD . 18840 1 606 . 1 1 50 50 ARG N N 15 115.9144 0.3 . 1 . . . A 551 ARG N . 18840 1 607 . 1 1 51 51 HIS H H 1 8.4805 0.008 . 1 . . . A 552 HIS H . 18840 1 608 . 1 1 51 51 HIS HA H 1 4.6919 0.008 . 1 . . . A 552 HIS HA . 18840 1 609 . 1 1 51 51 HIS HB2 H 1 3.3389 0.008 . 2 . . . A 552 HIS HB2 . 18840 1 610 . 1 1 51 51 HIS HB3 H 1 2.9810 0.008 . 2 . . . A 552 HIS HB3 . 18840 1 611 . 1 1 51 51 HIS HD2 H 1 7.1398 0.008 . 1 . . . A 552 HIS HD2 . 18840 1 612 . 1 1 51 51 HIS HE1 H 1 8.0896 0.008 . 1 . . . A 552 HIS HE1 . 18840 1 613 . 1 1 51 51 HIS C C 13 175.9589 0.08 . 1 . . . A 552 HIS C . 18840 1 614 . 1 1 51 51 HIS CA C 13 56.2226 0.08 . 1 . . . A 552 HIS CA . 18840 1 615 . 1 1 51 51 HIS CB C 13 30.2281 0.08 . 1 . . . A 552 HIS CB . 18840 1 616 . 1 1 51 51 HIS CD2 C 13 118.1093 0.5 . 1 . . . A 552 HIS CD2 . 18840 1 617 . 1 1 51 51 HIS CE1 C 13 140.1783 0.5 . 1 . . . A 552 HIS CE1 . 18840 1 618 . 1 1 51 51 HIS N N 15 113.7657 0.3 . 1 . . . A 552 HIS N . 18840 1 619 . 1 1 51 51 HIS ND1 N 15 242.4434 0.4 . 1 . . . A 552 HIS ND1 . 18840 1 620 . 1 1 51 51 HIS NE2 N 15 169.9914 0.4 . 1 . . . A 552 HIS NE2 . 18840 1 621 . 1 1 52 52 HIS H H 1 6.9542 0.008 . 1 . . . A 553 HIS H . 18840 1 622 . 1 1 52 52 HIS HA H 1 4.4586 0.008 . 1 . . . A 553 HIS HA . 18840 1 623 . 1 1 52 52 HIS HB2 H 1 3.3706 0.008 . 2 . . . A 553 HIS HB2 . 18840 1 624 . 1 1 52 52 HIS HB3 H 1 2.6965 0.008 . 2 . . . A 553 HIS HB3 . 18840 1 625 . 1 1 52 52 HIS HD2 H 1 5.3679 0.008 . 1 . . . A 553 HIS HD2 . 18840 1 626 . 1 1 52 52 HIS HE1 H 1 7.7290 0.008 . 1 . . . A 553 HIS HE1 . 18840 1 627 . 1 1 52 52 HIS C C 13 174.8203 0.08 . 1 . . . A 553 HIS C . 18840 1 628 . 1 1 52 52 HIS CA C 13 55.5528 0.08 . 1 . . . A 553 HIS CA . 18840 1 629 . 1 1 52 52 HIS CB C 13 31.3200 0.08 . 1 . . . A 553 HIS CB . 18840 1 630 . 1 1 52 52 HIS CD2 C 13 116.5161 0.5 . 1 . . . A 553 HIS CD2 . 18840 1 631 . 1 1 52 52 HIS CE1 C 13 139.8261 0.5 . 1 . . . A 553 HIS CE1 . 18840 1 632 . 1 1 52 52 HIS N N 15 122.5020 0.3 . 1 . . . A 553 HIS N . 18840 1 633 . 1 1 52 52 HIS ND1 N 15 217.4398 0.4 . 1 . . . A 553 HIS ND1 . 18840 1 634 . 1 1 52 52 HIS NE2 N 15 168.4932 0.4 . 1 . . . A 553 HIS NE2 . 18840 1 635 . 1 1 53 53 SER H H 1 8.6678 0.008 . 1 . . . A 554 SER H . 18840 1 636 . 1 1 53 53 SER HA H 1 5.1279 0.008 . 1 . . . A 554 SER HA . 18840 1 637 . 1 1 53 53 SER HB2 H 1 3.8561 0.008 . 2 . . . A 554 SER HB2 . 18840 1 638 . 1 1 53 53 SER HB3 H 1 3.7917 0.008 . 2 . . . A 554 SER HB3 . 18840 1 639 . 1 1 53 53 SER CA C 13 55.1986 0.08 . 1 . . . A 554 SER CA . 18840 1 640 . 1 1 53 53 SER CB C 13 64.8326 0.08 . 1 . . . A 554 SER CB . 18840 1 641 . 1 1 53 53 SER N N 15 117.5861 0.3 . 1 . . . A 554 SER N . 18840 1 642 . 1 1 54 54 PRO HA H 1 4.2957 0.008 . 1 . . . A 555 PRO HA . 18840 1 643 . 1 1 54 54 PRO HB2 H 1 1.1767 0.008 . 2 . . . A 555 PRO HB2 . 18840 1 644 . 1 1 54 54 PRO HB3 H 1 0.1890 0.008 . 2 . . . A 555 PRO HB3 . 18840 1 645 . 1 1 54 54 PRO HG2 H 1 1.4801 0.008 . 2 . . . A 555 PRO HG2 . 18840 1 646 . 1 1 54 54 PRO HG3 H 1 0.6601 0.008 . 2 . . . A 555 PRO HG3 . 18840 1 647 . 1 1 54 54 PRO HD2 H 1 3.5294 0.008 . 2 . . . A 555 PRO HD2 . 18840 1 648 . 1 1 54 54 PRO HD3 H 1 3.1658 0.008 . 2 . . . A 555 PRO HD3 . 18840 1 649 . 1 1 54 54 PRO C C 13 176.4475 0.08 . 1 . . . A 555 PRO C . 18840 1 650 . 1 1 54 54 PRO CA C 13 63.0292 0.08 . 1 . . . A 555 PRO CA . 18840 1 651 . 1 1 54 54 PRO CB C 13 31.7786 0.08 . 1 . . . A 555 PRO CB . 18840 1 652 . 1 1 54 54 PRO CG C 13 25.8094 0.08 . 1 . . . A 555 PRO CG . 18840 1 653 . 1 1 54 54 PRO CD C 13 50.3782 0.08 . 1 . . . A 555 PRO CD . 18840 1 654 . 1 1 55 55 LEU H H 1 8.8020 0.008 . 1 . . . A 556 LEU H . 18840 1 655 . 1 1 55 55 LEU HA H 1 4.7877 0.008 . 1 . . . A 556 LEU HA . 18840 1 656 . 1 1 55 55 LEU HB2 H 1 1.8002 0.008 . 2 . . . A 556 LEU HB2 . 18840 1 657 . 1 1 55 55 LEU HB3 H 1 1.8002 0.008 . 2 . . . A 556 LEU HB3 . 18840 1 658 . 1 1 55 55 LEU HG H 1 1.7718 0.008 . 1 . . . A 556 LEU HG . 18840 1 659 . 1 1 55 55 LEU HD11 H 1 1.0441 0.008 . 1 . . . A 556 LEU HD11 . 18840 1 660 . 1 1 55 55 LEU HD12 H 1 1.0441 0.008 . 1 . . . A 556 LEU HD12 . 18840 1 661 . 1 1 55 55 LEU HD13 H 1 1.0441 0.008 . 1 . . . A 556 LEU HD13 . 18840 1 662 . 1 1 55 55 LEU HD21 H 1 0.9494 0.008 . 1 . . . A 556 LEU HD21 . 18840 1 663 . 1 1 55 55 LEU HD22 H 1 0.9494 0.008 . 1 . . . A 556 LEU HD22 . 18840 1 664 . 1 1 55 55 LEU HD23 H 1 0.9494 0.008 . 1 . . . A 556 LEU HD23 . 18840 1 665 . 1 1 55 55 LEU C C 13 176.1756 0.08 . 1 . . . A 556 LEU C . 18840 1 666 . 1 1 55 55 LEU CA C 13 54.2474 0.08 . 1 . . . A 556 LEU CA . 18840 1 667 . 1 1 55 55 LEU CB C 13 44.2369 0.08 . 1 . . . A 556 LEU CB . 18840 1 668 . 1 1 55 55 LEU CG C 13 27.3233 0.08 . 1 . . . A 556 LEU CG . 18840 1 669 . 1 1 55 55 LEU CD1 C 13 25.3311 0.08 . 2 . . . A 556 LEU CD1 . 18840 1 670 . 1 1 55 55 LEU CD2 C 13 24.8433 0.08 . 2 . . . A 556 LEU CD2 . 18840 1 671 . 1 1 55 55 LEU N N 15 123.4686 0.3 . 1 . . . A 556 LEU N . 18840 1 672 . 1 1 56 56 MET H H 1 8.6245 0.008 . 1 . . . A 557 MET H . 18840 1 673 . 1 1 56 56 MET HA H 1 4.9832 0.008 . 1 . . . A 557 MET HA . 18840 1 674 . 1 1 56 56 MET HB2 H 1 2.0824 0.008 . 2 . . . A 557 MET HB2 . 18840 1 675 . 1 1 56 56 MET HB3 H 1 1.9400 0.008 . 2 . . . A 557 MET HB3 . 18840 1 676 . 1 1 56 56 MET HG2 H 1 2.4535 0.008 . 2 . . . A 557 MET HG2 . 18840 1 677 . 1 1 56 56 MET HG3 H 1 2.4535 0.008 . 2 . . . A 557 MET HG3 . 18840 1 678 . 1 1 56 56 MET HE1 H 1 1.8567 0.008 . 1 . . . A 557 MET HE1 . 18840 1 679 . 1 1 56 56 MET HE2 H 1 1.8567 0.008 . 1 . . . A 557 MET HE2 . 18840 1 680 . 1 1 56 56 MET HE3 H 1 1.8567 0.008 . 1 . . . A 557 MET HE3 . 18840 1 681 . 1 1 56 56 MET C C 13 175.9829 0.08 . 1 . . . A 557 MET C . 18840 1 682 . 1 1 56 56 MET CA C 13 54.6405 0.08 . 1 . . . A 557 MET CA . 18840 1 683 . 1 1 56 56 MET CB C 13 34.1814 0.08 . 1 . . . A 557 MET CB . 18840 1 684 . 1 1 56 56 MET CG C 13 32.0453 0.08 . 1 . . . A 557 MET CG . 18840 1 685 . 1 1 56 56 MET CE C 13 16.9309 0.08 . 1 . . . A 557 MET CE . 18840 1 686 . 1 1 56 56 MET N N 15 122.3619 0.3 . 1 . . . A 557 MET N . 18840 1 687 . 1 1 57 57 ARG H H 1 8.9013 0.008 . 1 . . . A 558 ARG H . 18840 1 688 . 1 1 57 57 ARG HA H 1 4.3023 0.008 . 1 . . . A 558 ARG HA . 18840 1 689 . 1 1 57 57 ARG HB2 H 1 1.7863 0.008 . 2 . . . A 558 ARG HB2 . 18840 1 690 . 1 1 57 57 ARG HB3 H 1 1.7863 0.008 . 2 . . . A 558 ARG HB3 . 18840 1 691 . 1 1 57 57 ARG HG2 H 1 1.5873 0.008 . 2 . . . A 558 ARG HG2 . 18840 1 692 . 1 1 57 57 ARG HG3 H 1 1.5873 0.008 . 2 . . . A 558 ARG HG3 . 18840 1 693 . 1 1 57 57 ARG HD2 H 1 3.0249 0.008 . 2 . . . A 558 ARG HD2 . 18840 1 694 . 1 1 57 57 ARG HD3 H 1 3.0249 0.008 . 2 . . . A 558 ARG HD3 . 18840 1 695 . 1 1 57 57 ARG CA C 13 56.5453 0.08 . 1 . . . A 558 ARG CA . 18840 1 696 . 1 1 57 57 ARG CB C 13 31.1388 0.08 . 1 . . . A 558 ARG CB . 18840 1 697 . 1 1 57 57 ARG CG C 13 27.3165 0.08 . 1 . . . A 558 ARG CG . 18840 1 698 . 1 1 57 57 ARG CD C 13 43.5041 0.08 . 1 . . . A 558 ARG CD . 18840 1 699 . 1 1 57 57 ARG N N 15 123.4496 0.3 . 1 . . . A 558 ARG N . 18840 1 700 . 1 1 58 58 ASN HA H 1 4.6422 0.008 . 1 . . . A 559 ASN HA . 18840 1 701 . 1 1 58 58 ASN HB2 H 1 2.8598 0.008 . 2 . . . A 559 ASN HB2 . 18840 1 702 . 1 1 58 58 ASN HB3 H 1 2.7852 0.008 . 2 . . . A 559 ASN HB3 . 18840 1 703 . 1 1 58 58 ASN HD21 H 1 7.5888 0.008 . 2 . . . A 559 ASN HD21 . 18840 1 704 . 1 1 58 58 ASN HD22 H 1 6.8831 0.008 . 2 . . . A 559 ASN HD22 . 18840 1 705 . 1 1 58 58 ASN CA C 13 53.2856 0.08 . 1 . . . A 559 ASN CA . 18840 1 706 . 1 1 58 58 ASN CB C 13 38.8767 0.08 . 1 . . . A 559 ASN CB . 18840 1 707 . 1 1 58 58 ASN CG C 13 176.8562 0.08 . 1 . . . A 559 ASN CG . 18840 1 708 . 1 1 58 58 ASN ND2 N 15 112.6437 0.3 . 1 . . . A 559 ASN ND2 . 18840 1 709 . 1 1 59 59 GLN H H 1 8.2839 0.008 . 1 . . . A 560 GLN H . 18840 1 710 . 1 1 59 59 GLN HA H 1 4.3080 0.008 . 1 . . . A 560 GLN HA . 18840 1 711 . 1 1 59 59 GLN HB2 H 1 2.1155 0.008 . 2 . . . A 560 GLN HB2 . 18840 1 712 . 1 1 59 59 GLN HB3 H 1 1.9831 0.008 . 2 . . . A 560 GLN HB3 . 18840 1 713 . 1 1 59 59 GLN HG2 H 1 2.3420 0.008 . 2 . . . A 560 GLN HG2 . 18840 1 714 . 1 1 59 59 GLN HG3 H 1 2.3420 0.008 . 2 . . . A 560 GLN HG3 . 18840 1 715 . 1 1 59 59 GLN HE21 H 1 7.5659 0.008 . 2 . . . A 560 GLN HE21 . 18840 1 716 . 1 1 59 59 GLN HE22 H 1 6.8700 0.008 . 2 . . . A 560 GLN HE22 . 18840 1 717 . 1 1 59 59 GLN C C 13 175.8831 0.08 . 1 . . . A 560 GLN C . 18840 1 718 . 1 1 59 59 GLN CA C 13 56.0227 0.08 . 1 . . . A 560 GLN CA . 18840 1 719 . 1 1 59 59 GLN CB C 13 29.7018 0.08 . 1 . . . A 560 GLN CB . 18840 1 720 . 1 1 59 59 GLN CG C 13 33.8691 0.08 . 1 . . . A 560 GLN CG . 18840 1 721 . 1 1 59 59 GLN CD C 13 180.4703 0.08 . 1 . . . A 560 GLN CD . 18840 1 722 . 1 1 59 59 GLN N N 15 121.1730 0.3 . 1 . . . A 560 GLN N . 18840 1 723 . 1 1 59 59 GLN NE2 N 15 112.5091 0.3 . 1 . . . A 560 GLN NE2 . 18840 1 724 . 1 1 60 60 LYS H H 1 8.3502 0.008 . 1 . . . A 561 LYS H . 18840 1 725 . 1 1 60 60 LYS HA H 1 4.2671 0.008 . 1 . . . A 561 LYS HA . 18840 1 726 . 1 1 60 60 LYS HB2 H 1 1.8144 0.008 . 2 . . . A 561 LYS HB2 . 18840 1 727 . 1 1 60 60 LYS HB3 H 1 1.7579 0.008 . 2 . . . A 561 LYS HB3 . 18840 1 728 . 1 1 60 60 LYS HG2 H 1 1.4124 0.008 . 2 . . . A 561 LYS HG2 . 18840 1 729 . 1 1 60 60 LYS HG3 H 1 1.4124 0.008 . 2 . . . A 561 LYS HG3 . 18840 1 730 . 1 1 60 60 LYS HD2 H 1 1.6618 0.008 . 2 . . . A 561 LYS HD2 . 18840 1 731 . 1 1 60 60 LYS HD3 H 1 1.6618 0.008 . 2 . . . A 561 LYS HD3 . 18840 1 732 . 1 1 60 60 LYS HE2 H 1 2.9697 0.008 . 2 . . . A 561 LYS HE2 . 18840 1 733 . 1 1 60 60 LYS HE3 H 1 2.9697 0.008 . 2 . . . A 561 LYS HE3 . 18840 1 734 . 1 1 60 60 LYS C C 13 176.3487 0.08 . 1 . . . A 561 LYS C . 18840 1 735 . 1 1 60 60 LYS CA C 13 56.6588 0.08 . 1 . . . A 561 LYS CA . 18840 1 736 . 1 1 60 60 LYS CB C 13 32.9657 0.08 . 1 . . . A 561 LYS CB . 18840 1 737 . 1 1 60 60 LYS CG C 13 24.7615 0.08 . 1 . . . A 561 LYS CG . 18840 1 738 . 1 1 60 60 LYS CD C 13 29.0929 0.08 . 1 . . . A 561 LYS CD . 18840 1 739 . 1 1 60 60 LYS CE C 13 42.1536 0.08 . 1 . . . A 561 LYS CE . 18840 1 740 . 1 1 60 60 LYS N N 15 122.2230 0.3 . 1 . . . A 561 LYS N . 18840 1 741 . 1 1 61 61 ASN H H 1 8.4403 0.008 . 1 . . . A 562 ASN H . 18840 1 742 . 1 1 61 61 ASN HA H 1 4.6806 0.008 . 1 . . . A 562 ASN HA . 18840 1 743 . 1 1 61 61 ASN HB2 H 1 2.8401 0.008 . 2 . . . A 562 ASN HB2 . 18840 1 744 . 1 1 61 61 ASN HB3 H 1 2.7824 0.008 . 2 . . . A 562 ASN HB3 . 18840 1 745 . 1 1 61 61 ASN HD21 H 1 7.6236 0.008 . 2 . . . A 562 ASN HD21 . 18840 1 746 . 1 1 61 61 ASN HD22 H 1 6.9542 0.008 . 2 . . . A 562 ASN HD22 . 18840 1 747 . 1 1 61 61 ASN C C 13 175.2976 0.08 . 1 . . . A 562 ASN C . 18840 1 748 . 1 1 61 61 ASN CA C 13 53.3746 0.08 . 1 . . . A 562 ASN CA . 18840 1 749 . 1 1 61 61 ASN CB C 13 38.9202 0.08 . 1 . . . A 562 ASN CB . 18840 1 750 . 1 1 61 61 ASN CG C 13 176.9256 0.08 . 1 . . . A 562 ASN CG . 18840 1 751 . 1 1 61 61 ASN N N 15 119.6830 0.3 . 1 . . . A 562 ASN N . 18840 1 752 . 1 1 61 61 ASN ND2 N 15 112.9393 0.3 . 1 . . . A 562 ASN ND2 . 18840 1 753 . 1 1 62 62 ARG H H 1 8.3327 0.008 . 1 . . . A 563 ARG H . 18840 1 754 . 1 1 62 62 ARG HA H 1 4.3146 0.008 . 1 . . . A 563 ARG HA . 18840 1 755 . 1 1 62 62 ARG HB2 H 1 1.8960 0.008 . 2 . . . A 563 ARG HB2 . 18840 1 756 . 1 1 62 62 ARG HB3 H 1 1.7845 0.008 . 2 . . . A 563 ARG HB3 . 18840 1 757 . 1 1 62 62 ARG HG2 H 1 1.6386 0.008 . 2 . . . A 563 ARG HG2 . 18840 1 758 . 1 1 62 62 ARG HG3 H 1 1.6386 0.008 . 2 . . . A 563 ARG HG3 . 18840 1 759 . 1 1 62 62 ARG HD2 H 1 3.1973 0.008 . 2 . . . A 563 ARG HD2 . 18840 1 760 . 1 1 62 62 ARG HD3 H 1 3.1973 0.008 . 2 . . . A 563 ARG HD3 . 18840 1 761 . 1 1 62 62 ARG C C 13 176.0876 0.08 . 1 . . . A 563 ARG C . 18840 1 762 . 1 1 62 62 ARG CA C 13 56.4894 0.08 . 1 . . . A 563 ARG CA . 18840 1 763 . 1 1 62 62 ARG CB C 13 30.7748 0.08 . 1 . . . A 563 ARG CB . 18840 1 764 . 1 1 62 62 ARG CG C 13 27.0005 0.08 . 1 . . . A 563 ARG CG . 18840 1 765 . 1 1 62 62 ARG CD C 13 43.4108 0.08 . 1 . . . A 563 ARG CD . 18840 1 766 . 1 1 62 62 ARG N N 15 121.4054 0.3 . 1 . . . A 563 ARG N . 18840 1 767 . 1 1 63 63 ASP H H 1 8.3866 0.008 . 1 . . . A 564 ASP H . 18840 1 768 . 1 1 63 63 ASP HA H 1 4.6672 0.008 . 1 . . . A 564 ASP HA . 18840 1 769 . 1 1 63 63 ASP HB2 H 1 2.7627 0.008 . 2 . . . A 564 ASP HB2 . 18840 1 770 . 1 1 63 63 ASP HB3 H 1 2.6768 0.008 . 2 . . . A 564 ASP HB3 . 18840 1 771 . 1 1 63 63 ASP C C 13 176.1476 0.08 . 1 . . . A 564 ASP C . 18840 1 772 . 1 1 63 63 ASP CA C 13 54.5969 0.08 . 1 . . . A 564 ASP CA . 18840 1 773 . 1 1 63 63 ASP CB C 13 41.2486 0.08 . 1 . . . A 564 ASP CB . 18840 1 774 . 1 1 63 63 ASP N N 15 121.2025 0.3 . 1 . . . A 564 ASP N . 18840 1 775 . 1 1 64 64 SER H H 1 8.1862 0.008 . 1 . . . A 565 SER H . 18840 1 776 . 1 1 64 64 SER HA H 1 4.5282 0.008 . 1 . . . A 565 SER HA . 18840 1 777 . 1 1 64 64 SER HB2 H 1 3.9386 0.008 . 2 . . . A 565 SER HB2 . 18840 1 778 . 1 1 64 64 SER HB3 H 1 3.8957 0.008 . 2 . . . A 565 SER HB3 . 18840 1 779 . 1 1 64 64 SER C C 13 173.7550 0.08 . 1 . . . A 565 SER C . 18840 1 780 . 1 1 64 64 SER CA C 13 58.2657 0.08 . 1 . . . A 565 SER CA . 18840 1 781 . 1 1 64 64 SER CB C 13 64.0769 0.08 . 1 . . . A 565 SER CB . 18840 1 782 . 1 1 64 64 SER N N 15 116.0584 0.3 . 1 . . . A 565 SER N . 18840 1 783 . 1 1 65 65 SER H H 1 8.0484 0.008 . 1 . . . A 566 SER H . 18840 1 784 . 1 1 65 65 SER HA H 1 4.2808 0.008 . 1 . . . A 566 SER HA . 18840 1 785 . 1 1 65 65 SER HB2 H 1 3.8802 0.008 . 2 . . . A 566 SER HB2 . 18840 1 786 . 1 1 65 65 SER HB3 H 1 3.8802 0.008 . 2 . . . A 566 SER HB3 . 18840 1 787 . 1 1 65 65 SER CA C 13 60.3066 0.08 . 1 . . . A 566 SER CA . 18840 1 788 . 1 1 65 65 SER CB C 13 64.8257 0.08 . 1 . . . A 566 SER CB . 18840 1 789 . 1 1 65 65 SER N N 15 123.3152 0.3 . 1 . . . A 566 SER N . 18840 1 stop_ save_